smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1cnn(CCNCc2ccc(-c3cccc(C(F)(F)F)c3)o2)c1 ZINC000180962317 837741178 /nfs/dbraw/zinc/74/11/78/837741178.db2.gz DBSVZYNLBATVJJ-UHFFFAOYSA-N 0 1 380.326 3.860 20 5 GHBDMN O=[N+]([O-])c1cccc(CCNCc2cn(-c3cccc(Cl)c3Cl)nn2)c1 ZINC000536163331 835258050 /nfs/dbraw/zinc/25/80/50/835258050.db2.gz OHVKWDNWEUIZNU-UHFFFAOYSA-N 0 1 392.246 3.815 20 5 GHBDMN CCn1cc(CNCc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)cn1 ZINC000512977784 844050741 /nfs/dbraw/zinc/05/07/41/844050741.db2.gz RUQGFHOKJCUGKI-UHFFFAOYSA-N 0 1 396.447 3.689 20 5 GHBDMN Cc1cc(N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000584115942 835657911 /nfs/dbraw/zinc/65/79/11/835657911.db2.gz APCBKOQTBMFVQI-INIZCTEOSA-N 0 1 383.448 3.702 20 5 GHBDMN CCc1ccccc1NC(=O)C[C@@H](C)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278703733 835841359 /nfs/dbraw/zinc/84/13/59/835841359.db2.gz NYBBXBMDWIRHES-CYBMUJFWSA-N 0 1 381.436 3.540 20 5 GHBDMN COc1cc(CN2CCCC[C@@H](SC)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000134612821 835870294 /nfs/dbraw/zinc/87/02/94/835870294.db2.gz UPISESQNZPGBOG-GFCCVEGCSA-N 0 1 376.425 3.922 20 5 GHBDMN CCOc1ccccc1[C@@H](CC)NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000179736570 835958776 /nfs/dbraw/zinc/95/87/76/835958776.db2.gz CXBOWFIGNDQNTN-GOSISDBHSA-N 0 1 383.448 3.624 20 5 GHBDMN O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccc2nc[nH]c2c1 ZINC000511340289 836044014 /nfs/dbraw/zinc/04/40/14/836044014.db2.gz FKXDOHHMNZPXFZ-UHFFFAOYSA-N 0 1 393.325 3.931 20 5 GHBDMN CCCCc1nc2ccc(NC(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)cc2[nH]1 ZINC000065904194 836152953 /nfs/dbraw/zinc/15/29/53/836152953.db2.gz YPFBBULVGSLKES-UHFFFAOYSA-N 0 1 396.403 3.837 20 5 GHBDMN CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(Br)cc2O)c1 ZINC000516879685 836213468 /nfs/dbraw/zinc/21/34/68/836213468.db2.gz VDXQHWRWRZTFJU-UHFFFAOYSA-N 0 1 381.182 3.714 20 5 GHBDMN C[C@H](C(=O)NCc1nc2ccc(Cl)cc2[nH]1)c1ccc([N+](=O)[O-])cc1F ZINC000612544482 836375043 /nfs/dbraw/zinc/37/50/43/836375043.db2.gz JXFJFICGHMLJCK-VIFPVBQESA-N 0 1 376.775 3.684 20 5 GHBDMN CCC[N@@H+](Cc1cc([O-])ccc1[N+](=O)[O-])C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000093417519 836630959 /nfs/dbraw/zinc/63/09/59/836630959.db2.gz RVJAITWMOWHXIO-UHFFFAOYSA-N 0 1 399.495 3.588 20 5 GHBDMN Cc1ccc(NC(=O)[C@@H](c2ccccc2)N(C)C[C@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000247057854 836672876 /nfs/dbraw/zinc/67/28/76/836672876.db2.gz NXMDXBGJGYPZBQ-OXQOHEQNSA-N 0 1 383.448 3.551 20 5 GHBDMN CCc1[nH]nc(C(=O)N2CCC(C)(c3ccc(Cl)cc3)CC2)c1[N+](=O)[O-] ZINC000473319870 844193117 /nfs/dbraw/zinc/19/31/17/844193117.db2.gz JZCDSQZEXNUAPA-UHFFFAOYSA-N 0 1 376.844 3.728 20 5 GHBDMN COc1cccc([C@@H]2[C@H](NC(=O)Nc3ccc([N+](=O)[O-])cc3)CCN2C2CC2)c1 ZINC000180065326 837058731 /nfs/dbraw/zinc/05/87/31/837058731.db2.gz PDONVOIERWDZCT-WOJBJXKFSA-N 0 1 396.447 3.703 20 5 GHBDMN C[C@@H](NCC(=O)Nc1ccc(N2CCCCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180409530 837234615 /nfs/dbraw/zinc/23/46/15/837234615.db2.gz XQYNPGXSGHCZGP-MRXNPFEDSA-N 0 1 382.464 3.874 20 5 GHBDMN O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000181362103 838000002 /nfs/dbraw/zinc/00/00/02/838000002.db2.gz CSYCBCMNUNVNIY-CQSZACIVSA-N 0 1 395.394 3.539 20 5 GHBDMN COc1ccccc1-c1n[nH]c(NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)n1 ZINC000189093255 838069653 /nfs/dbraw/zinc/06/96/53/838069653.db2.gz GBXSCMZFAWQGCC-UHFFFAOYSA-N 0 1 381.392 3.764 20 5 GHBDMN CC(C)Oc1cc(C(=O)Nc2ccc3nc(N(C)C)[nH]c3c2)ccc1[N+](=O)[O-] ZINC000412293214 838172788 /nfs/dbraw/zinc/17/27/88/838172788.db2.gz XQWJGUJFNIPEKF-UHFFFAOYSA-N 0 1 383.408 3.577 20 5 GHBDMN Cc1ccc2nc([C@H]3CCCN(C(=O)c4cc(F)cc([N+](=O)[O-])c4N)C3)[nH]c2c1 ZINC000102896778 838255948 /nfs/dbraw/zinc/25/59/48/838255948.db2.gz FBJVEAQKZOEPQX-LBPRGKRZSA-N 0 1 397.410 3.521 20 5 GHBDMN O=C(NC[C@@H](c1ccco1)N1CCCC1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000128381621 838289717 /nfs/dbraw/zinc/28/97/17/838289717.db2.gz RYXZVFVHAAWOEL-IBGZPJMESA-N 0 1 398.463 3.699 20 5 GHBDMN C[C@H](N[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000189782390 838402829 /nfs/dbraw/zinc/40/28/29/838402829.db2.gz VJPNRNFDEHQBNW-ORAYPTAESA-N 0 1 389.402 3.715 20 5 GHBDMN CC(C)Oc1ccccc1CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000146937670 838466361 /nfs/dbraw/zinc/46/63/61/838466361.db2.gz UKQPVYMZPTZBJR-UHFFFAOYSA-N 0 1 384.841 3.514 20 5 GHBDMN CCOc1ccc(C(=O)N2CCN(Cc3ccccc3)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000610446117 839708434 /nfs/dbraw/zinc/70/84/34/839708434.db2.gz RHWZMESOAOJIJG-QGZVFWFLSA-N 0 1 397.475 3.730 20 5 GHBDMN CCOc1ccc(C(=O)N2CCN(Cc3ccccc3)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000610446116 839713035 /nfs/dbraw/zinc/71/30/35/839713035.db2.gz RHWZMESOAOJIJG-KRWDZBQOSA-N 0 1 397.475 3.730 20 5 GHBDMN CC(C)N1CCC[C@H](NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 ZINC000275943816 840108226 /nfs/dbraw/zinc/10/82/26/840108226.db2.gz JQXSEKZCSRUMQI-HNNXBMFYSA-N 0 1 399.441 3.974 20 5 GHBDMN CSc1n[nH]c(NC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)n1 ZINC000487342917 840632987 /nfs/dbraw/zinc/63/29/87/840632987.db2.gz ZDHQPBQLCKIUMH-UHFFFAOYSA-N 0 1 387.446 3.838 20 5 GHBDMN O=C(NCC1CCN(Cc2ccccc2Cl)CC1)c1ccccc1[N+](=O)[O-] ZINC000106829684 841114305 /nfs/dbraw/zinc/11/43/05/841114305.db2.gz BNBQFGYFOLJQII-UHFFFAOYSA-N 0 1 387.867 3.890 20 5 GHBDMN Cc1cc2ncn(C[C@@H](O)CN(Cc3ccccc3[N+](=O)[O-])C3CC3)c2cc1C ZINC000135237719 841415124 /nfs/dbraw/zinc/41/51/24/841415124.db2.gz VVBQREIDZACOAY-IBGZPJMESA-N 0 1 394.475 3.587 20 5 GHBDMN O=[N+]([O-])c1ccc2[nH]c(CN(Cc3ccccc3)C3(CO)CCCC3)nc2c1 ZINC000599431815 861203471 /nfs/dbraw/zinc/20/34/71/861203471.db2.gz PBZPCQFZENQYGN-UHFFFAOYSA-N 0 1 380.448 3.778 20 5 GHBDMN CCOc1ccc([C@@H](C)NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)cc1OCC ZINC000045270082 841634753 /nfs/dbraw/zinc/63/47/53/841634753.db2.gz LYKIFBFGSVFUKH-GFCCVEGCSA-N 0 1 398.419 3.760 20 5 GHBDMN CN(CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133755 841849982 /nfs/dbraw/zinc/84/99/82/841849982.db2.gz BCCWQFCPAOTNOR-LAUBAEHRSA-N 0 1 383.448 3.633 20 5 GHBDMN CCc1nc([C@H](C)NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)n[nH]1 ZINC000477267756 841930603 /nfs/dbraw/zinc/93/06/03/841930603.db2.gz IOKUEGHDBFLGBW-LBPRGKRZSA-N 0 1 380.408 3.510 20 5 GHBDMN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000477269827 841931600 /nfs/dbraw/zinc/93/16/00/841931600.db2.gz ALIHGBKZPREUHV-KRWDZBQOSA-N 0 1 387.867 3.951 20 5 GHBDMN CCCc1[nH]nc(C(=O)Nc2ccc3nc(-c4ccco4)[nH]c3c2)c1[N+](=O)[O-] ZINC000109619816 841974918 /nfs/dbraw/zinc/97/49/18/841974918.db2.gz UCSSTUYGXZYOAD-UHFFFAOYSA-N 0 1 380.364 3.659 20 5 GHBDMN Cc1ccc([C@H](C)NC(=O)NC[C@H](c2ccc(F)cc2)N(C)C)cc1[N+](=O)[O-] ZINC000175926481 842108291 /nfs/dbraw/zinc/10/82/91/842108291.db2.gz IBWQZOIKKYEJHC-IFXJQAMLSA-N 0 1 388.443 3.705 20 5 GHBDMN C[C@@H]1CN(C[C@H]2CCCN2c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C[C@H](C)O1 ZINC000302548726 861299383 /nfs/dbraw/zinc/29/93/83/861299383.db2.gz VKYUSQJRZZDQFZ-ZIFCJYIRSA-N 0 1 396.491 3.735 20 5 GHBDMN CC1(C)C[C@@H](NCc2cccc(CS(C)(=O)=O)c2)c2cc([N+](=O)[O-])ccc21 ZINC000279138069 842627539 /nfs/dbraw/zinc/62/75/39/842627539.db2.gz RQDKNACQGUAZKX-LJQANCHMSA-N 0 1 388.489 3.652 20 5 GHBDMN CC(=O)Nc1cccc([C@@H](C)N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000028339514 861351687 /nfs/dbraw/zinc/35/16/87/861351687.db2.gz WSWSMQNERDZSKJ-ZIAGYGMSSA-N 0 1 384.436 3.539 20 5 GHBDMN CCOc1cc(CN(C)CCc2nc(-c3ccccc3)no2)ccc1[N+](=O)[O-] ZINC000512212568 843106788 /nfs/dbraw/zinc/10/67/88/843106788.db2.gz LGIAGXUMQCFAGD-UHFFFAOYSA-N 0 1 382.420 3.718 20 5 GHBDMN CCc1[nH]nc(C(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)c1[N+](=O)[O-] ZINC000568675855 843499408 /nfs/dbraw/zinc/49/94/08/843499408.db2.gz DWQLYMIUOZYSOB-KRWDZBQOSA-N 0 1 376.416 3.668 20 5 GHBDMN O=C(Nc1cccc(-c2nnc[nH]2)c1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000511982386 843603780 /nfs/dbraw/zinc/60/37/80/843603780.db2.gz MACDSVLDXXNKLL-UHFFFAOYSA-N 0 1 392.400 3.756 20 5 GHBDMN COc1cc(C)c([C@H](C)N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC ZINC000056154201 861436931 /nfs/dbraw/zinc/43/69/31/861436931.db2.gz PKSNFXMQMJDSMZ-UONOGXRCSA-N 0 1 387.436 3.598 20 5 GHBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Cl)c(NC(C)=O)c1 ZINC000067124071 844788175 /nfs/dbraw/zinc/78/81/75/844788175.db2.gz HAJJCXGINYLWSU-UHFFFAOYSA-N 0 1 397.840 3.570 20 5 GHBDMN Cc1cc(C)c(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)c(C)c1 ZINC000603975820 861523660 /nfs/dbraw/zinc/52/36/60/861523660.db2.gz SDUBJZAWDPFLDH-UHFFFAOYSA-N 0 1 386.376 3.922 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N(C)CCc2ccc(Br)cc2)c1[N+](=O)[O-] ZINC000433757688 845289248 /nfs/dbraw/zinc/28/92/48/845289248.db2.gz PINZWNXAAQYORN-UHFFFAOYSA-N 0 1 395.257 3.519 20 5 GHBDMN C[C@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1cccc(C(F)(F)F)c1 ZINC000119684328 845881215 /nfs/dbraw/zinc/88/12/15/845881215.db2.gz SMJUBPTZNFCQPS-LBPRGKRZSA-N 0 1 393.365 3.854 20 5 GHBDMN O=C(c1cnc(-c2ccccc2)[nH]1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000551455025 846375974 /nfs/dbraw/zinc/37/59/74/846375974.db2.gz CJUGUKGZNYCEPG-IBGZPJMESA-N 0 1 380.429 3.873 20 5 GHBDMN C[C@@H]1CN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)[C@@H](C)CN1Cc1ccccc1 ZINC000501592649 847046003 /nfs/dbraw/zinc/04/60/03/847046003.db2.gz LIKLQJWJLCFGQY-CVEARBPZSA-N 0 1 392.459 3.811 20 5 GHBDMN COc1cc(C(=O)Nc2nc3ccc(C(F)(F)F)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000178633370 848052436 /nfs/dbraw/zinc/05/24/36/848052436.db2.gz RBUGZWSQVXVRDI-UHFFFAOYSA-N 0 1 380.282 3.751 20 5 GHBDMN CN(Cc1ccc(Br)c(F)c1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000755207093 848146605 /nfs/dbraw/zinc/14/66/05/848146605.db2.gz OUCBOHYSIMADGO-INIZCTEOSA-N 0 1 383.217 3.662 20 5 GHBDMN CC(=O)N1CCN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)CC12CCCCC2 ZINC000611929729 848325339 /nfs/dbraw/zinc/32/53/39/848325339.db2.gz JNXFUBRZJWDMFW-UHFFFAOYSA-N 0 1 382.464 3.823 20 5 GHBDMN COc1ccccc1[C@H](C)NC(=O)[C@H](C)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178680349 848477084 /nfs/dbraw/zinc/47/70/84/848477084.db2.gz MLCBZDSFGYRKFW-JYJNAYRXSA-N 0 1 385.464 3.828 20 5 GHBDMN Cc1ccc([C@@H](C)N[C@H](C)C(=O)NCCc2c[nH]c3ccccc23)cc1[N+](=O)[O-] ZINC000178690348 848542041 /nfs/dbraw/zinc/54/20/41/848542041.db2.gz INNYPIAEIULDKN-HZPDHXFCSA-N 0 1 394.475 3.783 20 5 GHBDMN COc1ccc(C(=O)N2CCC[C@H]2c2nc3ccc(C)cc3[nH]2)cc1[N+](=O)[O-] ZINC000061234445 848583525 /nfs/dbraw/zinc/58/35/25/848583525.db2.gz XOPUMWGMJXHYLP-INIZCTEOSA-N 0 1 380.404 3.765 20 5 GHBDMN Cc1ccc(F)cc1NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000520872491 849000338 /nfs/dbraw/zinc/00/03/38/849000338.db2.gz QXXGNNQTDVSLET-UHFFFAOYSA-N 0 1 389.202 3.606 20 5 GHBDMN CC(C)(C)[N@H+]1CCCN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CC1 ZINC000583122946 849118810 /nfs/dbraw/zinc/11/88/10/849118810.db2.gz ZABGEEQHVKCJJO-UHFFFAOYSA-N 0 1 377.488 3.628 20 5 GHBDMN CC(C)(C)N1CCCN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CC1 ZINC000583122946 849118816 /nfs/dbraw/zinc/11/88/16/849118816.db2.gz ZABGEEQHVKCJJO-UHFFFAOYSA-N 0 1 377.488 3.628 20 5 GHBDMN CC1(C)CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CCN1Cc1ccccc1 ZINC000434844156 849810990 /nfs/dbraw/zinc/81/09/90/849810990.db2.gz YPJCZLLVSWVNDL-UHFFFAOYSA-N 0 1 380.448 3.832 20 5 GHBDMN O=C(NCc1ccc(OC2CCCC2)cc1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000504969017 850493290 /nfs/dbraw/zinc/49/32/90/850493290.db2.gz LLKDUALPRARGKH-UHFFFAOYSA-N 0 1 380.404 3.723 20 5 GHBDMN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000519297690 850882804 /nfs/dbraw/zinc/88/28/04/850882804.db2.gz BYENRNDTZPWFHE-HZPDHXFCSA-N 0 1 377.488 3.674 20 5 GHBDMN Cc1ccccc1CN(Cc1cccnc1)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000434225989 850905729 /nfs/dbraw/zinc/90/57/29/850905729.db2.gz NSYFZCLKVLNCLW-UHFFFAOYSA-N 0 1 393.447 3.987 20 5 GHBDMN O=[N+]([O-])c1ccc([C@H]2CCCN(c3nc(C(F)(F)F)nc4[nH]cnc43)C2)cc1 ZINC000515341281 850923101 /nfs/dbraw/zinc/92/31/01/850923101.db2.gz KWNPABHGZVQEMA-NSHDSACASA-N 0 1 392.341 3.664 20 5 GHBDMN O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000505730404 851038287 /nfs/dbraw/zinc/03/82/87/851038287.db2.gz XBMNSEPZMGYYJT-UHFFFAOYSA-N 0 1 393.403 3.538 20 5 GHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N(Cc1cccc(Br)c1)C1CC1 ZINC000505747471 851139689 /nfs/dbraw/zinc/13/96/89/851139689.db2.gz KLUCKQCHPKDHFM-UHFFFAOYSA-N 0 1 391.221 3.868 20 5 GHBDMN CC(C)(C)c1ccc(Oc2ccc(CN3CC[C@H](C(N)=O)C3)cc2[N+](=O)[O-])cc1 ZINC000505455535 851391002 /nfs/dbraw/zinc/39/10/02/851391002.db2.gz NBXRWHWQDBLWNC-INIZCTEOSA-N 0 1 397.475 3.992 20 5 GHBDMN O=C1[C@@H](NCc2cccc([N+](=O)[O-])c2)CCN1c1ccc(Cl)cc1Cl ZINC000473671754 851566953 /nfs/dbraw/zinc/56/69/53/851566953.db2.gz WQGARGXAUAJDGD-HNNXBMFYSA-N 0 1 380.231 3.797 20 5 GHBDMN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1n[nH]c([C@H](C)CC)n1 ZINC000489242214 852157290 /nfs/dbraw/zinc/15/72/90/852157290.db2.gz ZTUWFICIPZVPKH-GHMZBOCLSA-N 0 1 377.470 3.829 20 5 GHBDMN C[C@H](NC(=O)COc1ccc([N+](=O)[O-])c(F)c1)c1nc2ccc(Cl)cc2[nH]1 ZINC000732545878 862346956 /nfs/dbraw/zinc/34/69/56/862346956.db2.gz ZUJITSIMOZYXOV-VIFPVBQESA-N 0 1 392.774 3.520 20 5 GHBDMN Cc1ccc(-c2ccc(C[NH2+][C@@H](Cc3ccccc3[N+](=O)[O-])C(=O)[O-])o2)cc1 ZINC000426805576 852394927 /nfs/dbraw/zinc/39/49/27/852394927.db2.gz CSEMCJFIEJEXGO-SFHVURJKSA-N 0 1 380.400 3.949 20 5 GHBDMN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000507087975 852551765 /nfs/dbraw/zinc/55/17/65/852551765.db2.gz MRBUZUPVDUAGGN-LLVKDONJSA-N 0 1 377.470 3.829 20 5 GHBDMN COc1ccc(CN2CCC(C(=O)Nc3cccc(F)c3)CC2)cc1[N+](=O)[O-] ZINC000507291037 852764490 /nfs/dbraw/zinc/76/44/90/852764490.db2.gz GOOSJFDANAJNDS-UHFFFAOYSA-N 0 1 387.411 3.593 20 5 GHBDMN O=C(Cc1ccc(Cl)cc1Cl)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000490368344 852967566 /nfs/dbraw/zinc/96/75/66/852967566.db2.gz OCNZTTQKKFABHV-UHFFFAOYSA-N 0 1 392.202 3.868 20 5 GHBDMN O=C(N[C@H](CC(F)(F)F)c1ccccc1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000490545694 853082865 /nfs/dbraw/zinc/08/28/65/853082865.db2.gz OVKPKTMBKOJYDL-CQSZACIVSA-N 0 1 378.310 3.895 20 5 GHBDMN Cn1c(C(=O)Nc2ccc(-c3n[nH]c(-c4ccccc4)n3)cc2)ccc1[N+](=O)[O-] ZINC000437521153 853221473 /nfs/dbraw/zinc/22/14/73/853221473.db2.gz SBZICSDIDJQFJB-UHFFFAOYSA-N 0 1 388.387 3.638 20 5 GHBDMN Cn1c(C(=O)Nc2ccc(-c3nc(-c4ccccc4)n[nH]3)cc2)ccc1[N+](=O)[O-] ZINC000437521153 853221480 /nfs/dbraw/zinc/22/14/80/853221480.db2.gz SBZICSDIDJQFJB-UHFFFAOYSA-N 0 1 388.387 3.638 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C1CC1)[C@@H]1CCc2ccccc21 ZINC000138797569 853403216 /nfs/dbraw/zinc/40/32/16/853403216.db2.gz AFOKDXMMSOQKIQ-LJQANCHMSA-N 0 1 381.432 3.694 20 5 GHBDMN CN1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)[C@@H]1c1ccccc1 ZINC000491114730 853444093 /nfs/dbraw/zinc/44/40/93/853444093.db2.gz BEKRIKUXUBVBME-SJORKVTESA-N 0 1 393.365 3.789 20 5 GHBDMN CCOc1ccc([C@H](C)NCc2cc3ccccc3n(C)c2=O)cc1[N+](=O)[O-] ZINC000426340328 853500043 /nfs/dbraw/zinc/50/00/43/853500043.db2.gz ZTGGKJXMGPHGOS-AWEZNQCLSA-N 0 1 381.432 3.696 20 5 GHBDMN COC(=O)COc1ccc(CN(C)C/C(C)=C\c2ccccc2)cc1[N+](=O)[O-] ZINC000426393873 853681303 /nfs/dbraw/zinc/68/13/03/853681303.db2.gz HPKPTGMOAGSGLV-WJDWOHSUSA-N 0 1 384.432 3.682 20 5 GHBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282494062 862555054 /nfs/dbraw/zinc/55/50/54/862555054.db2.gz QBPKPDNGZYKTLW-CYBMUJFWSA-N 0 1 397.391 3.789 20 5 GHBDMN CCOc1ccc([C@@H](C)NCC(=O)Nc2ccc(OCC)cc2[N+](=O)[O-])cc1 ZINC000589241865 854756733 /nfs/dbraw/zinc/75/67/33/854756733.db2.gz CJUKHOMHRQLGFV-CQSZACIVSA-N 0 1 387.436 3.682 20 5 GHBDMN NC(=O)[C@@H]1CCCN1Cc1cccc(N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000253354859 854941340 /nfs/dbraw/zinc/94/13/40/854941340.db2.gz MUJRIJVEBTZQBK-SFTDATJTSA-N 0 1 394.475 3.534 20 5 GHBDMN COc1ccc(NC(=O)C[C@H](C)NCc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000184663609 855480191 /nfs/dbraw/zinc/48/01/91/855480191.db2.gz TZZFVTHFCDFMGY-LBPRGKRZSA-N 0 1 377.828 3.764 20 5 GHBDMN COc1ccc2nc(SCc3nc(-c4cccc([N+](=O)[O-])c4)no3)[nH]c2c1 ZINC000031838677 862710232 /nfs/dbraw/zinc/71/02/32/862710232.db2.gz IZBDILXQVWNKAN-UHFFFAOYSA-N 0 1 383.389 3.822 20 5 GHBDMN Cc1n[nH]cc1CNCc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000171384294 856113152 /nfs/dbraw/zinc/11/31/52/856113152.db2.gz XTOIEARQNOZKQG-UHFFFAOYSA-N 0 1 388.431 3.769 20 5 GHBDMN COc1cc(C(=O)Nc2ccc3nc(-c4ccccn4)[nH]c3c2)ccc1[N+](=O)[O-] ZINC000172177110 856361634 /nfs/dbraw/zinc/36/16/34/856361634.db2.gz AAUOHPMTJJCUCW-UHFFFAOYSA-N 0 1 389.371 3.794 20 5 GHBDMN CN(C)[C@@H](CNC(=O)c1csc([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC000184838947 856454769 /nfs/dbraw/zinc/45/47/69/856454769.db2.gz AMDBEJZKEPDBMI-ZDUSSCGKSA-N 0 1 387.383 3.708 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N(C)Cc2ccc(Br)c(F)c2)c1[N+](=O)[O-] ZINC000427795672 856722465 /nfs/dbraw/zinc/72/24/65/856722465.db2.gz FSTRJGOFCIDKHX-UHFFFAOYSA-N 0 1 399.220 3.615 20 5 GHBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCC[C@H]2C[C@@H](C)O)cc1OC ZINC000542918262 856810929 /nfs/dbraw/zinc/81/09/29/856810929.db2.gz WCRCBFUFFQTKER-UXLLHSPISA-N 0 1 380.485 3.764 20 5 GHBDMN Cn1ccnc1[C@@H](NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1cccc(F)c1 ZINC000573955438 856861154 /nfs/dbraw/zinc/86/11/54/856861154.db2.gz CDDDKAMCDDVFIC-FQEVSTJZSA-N 0 1 393.422 3.870 20 5 GHBDMN C[C@@H](NCc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000245472176 856892288 /nfs/dbraw/zinc/89/22/88/856892288.db2.gz YTPIOPITQILGAF-IXDOHACOSA-N 0 1 397.475 3.695 20 5 GHBDMN COc1ccc(-c2nc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)sc2C)cc1 ZINC000427924200 856894505 /nfs/dbraw/zinc/89/45/05/856894505.db2.gz POGJTXFBONMJSA-UHFFFAOYSA-N 0 1 385.401 3.993 20 5 GHBDMN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1nc2ccc(F)cc2[nH]1 ZINC000488956808 856902192 /nfs/dbraw/zinc/90/21/92/856902192.db2.gz RSJOFJWOOCERGM-UHFFFAOYSA-N 0 1 380.788 3.994 20 5 GHBDMN COc1ccc([C@H](CNC(=O)c2cccc([N+](=O)[O-])c2C)N2CCCCC2)cc1 ZINC000027667840 856993678 /nfs/dbraw/zinc/99/36/78/856993678.db2.gz XOQGGGDEFWBYLY-NRFANRHFSA-N 0 1 397.475 3.869 20 5 GHBDMN CN1CC[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245641191 857033561 /nfs/dbraw/zinc/03/35/61/857033561.db2.gz ALKYBNXGSSURQE-KBXCAEBGSA-N 0 1 391.830 3.810 20 5 GHBDMN CC[C@H](CNC(=O)c1cccc(SC)c1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000485751443 857045111 /nfs/dbraw/zinc/04/51/11/857045111.db2.gz UAIVZQGHTKHFPM-QGZVFWFLSA-N 0 1 399.516 3.883 20 5 GHBDMN CC[C@H](CNC(=O)c1cccc(SC)c1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000485751443 857045122 /nfs/dbraw/zinc/04/51/22/857045122.db2.gz UAIVZQGHTKHFPM-QGZVFWFLSA-N 0 1 399.516 3.883 20 5 GHBDMN CN1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245736820 857155168 /nfs/dbraw/zinc/15/51/68/857155168.db2.gz UXKNCQBPWWUPRP-KBXCAEBGSA-N 0 1 391.830 3.810 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCO[C@H](C2CCCCC2)C1 ZINC000543576827 862908823 /nfs/dbraw/zinc/90/88/23/862908823.db2.gz MALFILNNEVPNSU-IBGZPJMESA-N 0 1 375.469 3.513 20 5 GHBDMN O=[N+]([O-])c1ccc(N[C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)c(Cl)c1 ZINC000301737883 857468643 /nfs/dbraw/zinc/46/86/43/857468643.db2.gz VYRIKIGEBCEZRH-HNAYVOBHSA-N 0 1 375.856 3.543 20 5 GHBDMN CCc1[nH]nc(C(=O)N2CCC(CCc3ccc(F)cc3F)CC2)c1[N+](=O)[O-] ZINC000594398589 858130081 /nfs/dbraw/zinc/13/00/81/858130081.db2.gz OUIYIFBQFDCPIY-UHFFFAOYSA-N 0 1 392.406 3.644 20 5 GHBDMN CN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Cc1cc(C(C)(C)C)n[nH]1 ZINC000574896956 858388547 /nfs/dbraw/zinc/38/85/47/858388547.db2.gz RANFAVAPCJKWNS-UHFFFAOYSA-N 0 1 383.452 3.945 20 5 GHBDMN Cc1cc(NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000592969822 858454364 /nfs/dbraw/zinc/45/43/64/858454364.db2.gz SSFYTAOEYPZGTG-KRWDZBQOSA-N 0 1 383.448 3.926 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H](C(=O)[O-])[C@@H](c2ccc(Cl)cc2)C1 ZINC000595279000 858459703 /nfs/dbraw/zinc/45/97/03/858459703.db2.gz AGFAGHXHHCXSGC-SJORKVTESA-N 0 1 390.823 3.557 20 5 GHBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C)[C@H](c1nnc[nH]1)c1ccccc1 ZINC000595523746 858552413 /nfs/dbraw/zinc/55/24/13/858552413.db2.gz LRNZQNAXZYXCDD-IBGZPJMESA-N 0 1 381.436 3.722 20 5 GHBDMN Cc1ccc([C@@H](C)NC(=O)NC[C@@H]2CCN2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000595544162 858561571 /nfs/dbraw/zinc/56/15/71/858561571.db2.gz MUNGBVNLFPGDCA-APWZRJJASA-N 0 1 382.464 3.538 20 5 GHBDMN O=C(Nc1ccc2nc(Cc3ccccc3F)[nH]c2c1)c1cc([N+](=O)[O-])c[nH]1 ZINC000522181717 858780358 /nfs/dbraw/zinc/78/03/58/858780358.db2.gz YGZQXSYTLSMDAQ-UHFFFAOYSA-N 0 1 379.351 3.781 20 5 GHBDMN CC(C)(C)NC(=O)CN1CCC(CNc2ccc(C(F)F)cc2[N+](=O)[O-])CC1 ZINC000596158730 858808191 /nfs/dbraw/zinc/80/81/91/858808191.db2.gz IKOSUYKBLUGHRK-UHFFFAOYSA-N 0 1 398.454 3.571 20 5 GHBDMN COc1ccc(C[C@H](C)NCc2cc(O)ccc2Br)c([N+](=O)[O-])c1 ZINC001170317200 881347071 /nfs/dbraw/zinc/34/70/71/881347071.db2.gz BSIFEQXFHBAJNY-NSHDSACASA-N 0 1 395.253 3.792 20 5 GHBDMN CC[C@H](C)c1nc([C@H](C)Nc2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)n[nH]1 ZINC000596204269 858830113 /nfs/dbraw/zinc/83/01/13/858830113.db2.gz BPBLZDCHOLZUMN-IUCAKERBSA-N 0 1 381.820 3.840 20 5 GHBDMN COC[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000509255850 858849680 /nfs/dbraw/zinc/84/96/80/858849680.db2.gz GNYDQABLQHYNAW-INIZCTEOSA-N 0 1 388.811 3.584 20 5 GHBDMN CCOC1CC(CN2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C1 ZINC000509260854 858868436 /nfs/dbraw/zinc/86/84/36/858868436.db2.gz XBVRWMSSYWTHEL-UHFFFAOYSA-N 0 1 387.402 3.551 20 5 GHBDMN COc1c2ccccc2oc1CN[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000474084130 858873724 /nfs/dbraw/zinc/87/37/24/858873724.db2.gz SHEOZVXZUWDCEX-CYBMUJFWSA-N 0 1 383.404 3.857 20 5 GHBDMN CC(C)N(C)c1ccc(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000483253713 859248920 /nfs/dbraw/zinc/24/89/20/859248920.db2.gz DPEVLOXUMHUBSE-UHFFFAOYSA-N 0 1 384.480 3.878 20 5 GHBDMN CC(C)(C)[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1Br ZINC000474155878 859349126 /nfs/dbraw/zinc/34/91/26/859349126.db2.gz DGTFDFCKKWSPJU-UHFFFAOYSA-N 0 1 381.274 3.855 20 5 GHBDMN CC(C)(C)N(CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1Br ZINC000474155878 859349141 /nfs/dbraw/zinc/34/91/41/859349141.db2.gz DGTFDFCKKWSPJU-UHFFFAOYSA-N 0 1 381.274 3.855 20 5 GHBDMN CN1CC2(C1)CCN(C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)C2 ZINC000597570771 859644926 /nfs/dbraw/zinc/64/49/26/859644926.db2.gz CXRRLQSSGVPHEI-UHFFFAOYSA-N 0 1 383.473 3.524 20 5 GHBDMN COC(=O)COc1ccc(CNC2(c3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-] ZINC000474343565 859886375 /nfs/dbraw/zinc/88/63/75/859886375.db2.gz CQSUQZPRKVLPPY-UHFFFAOYSA-N 0 1 390.823 3.579 20 5 GHBDMN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000252736617 860000591 /nfs/dbraw/zinc/00/05/91/860000591.db2.gz YTSUEIQSUKKPLC-MJGOQNOKSA-N 0 1 385.489 3.882 20 5 GHBDMN CCCN1Cc2cccc(NS(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2C1 ZINC000727360895 860053262 /nfs/dbraw/zinc/05/32/62/860053262.db2.gz OAHRTFKQXZOPEN-UHFFFAOYSA-N 0 1 395.868 3.775 20 5 GHBDMN CCSc1cccc(Br)c1NC(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000484883062 860434862 /nfs/dbraw/zinc/43/48/62/860434862.db2.gz JOMRWZVVRLSBGG-UHFFFAOYSA-N 0 1 399.270 3.938 20 5 GHBDMN Cc1ccc(-c2n[nH]cc2CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)o1 ZINC000130725097 860445937 /nfs/dbraw/zinc/44/59/37/860445937.db2.gz LGYYZVNJEMMTFN-UHFFFAOYSA-N 0 1 382.420 3.930 20 5 GHBDMN COc1cc(F)c([N+](=O)[O-])c(N2CCCN(Cc3ccc(F)cc3)CC2)c1 ZINC000301376176 860463399 /nfs/dbraw/zinc/46/33/99/860463399.db2.gz XQUGEDMMWSLCIT-UHFFFAOYSA-N 0 1 377.391 3.594 20 5 GHBDMN CCSc1cccc(F)c1NC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000484924011 860499851 /nfs/dbraw/zinc/49/98/51/860499851.db2.gz VYVJEQWVIIBXNV-UHFFFAOYSA-N 0 1 378.381 3.885 20 5 GHBDMN CN(c1ccccc1)c1ccc(CN2CCC(OCCCO)CC2)cc1[N+](=O)[O-] ZINC000131402037 860511427 /nfs/dbraw/zinc/51/14/27/860511427.db2.gz OQECJIPVUFAXOT-UHFFFAOYSA-N 0 1 399.491 3.726 20 5 GHBDMN COc1cc(S(=O)(=O)Nc2ccc(CC(F)(F)F)cc2)ccc1[N+](=O)[O-] ZINC000125047922 860566123 /nfs/dbraw/zinc/56/61/23/860566123.db2.gz YQEIXGZBGKBOOC-UHFFFAOYSA-N 0 1 390.339 3.509 20 5 GHBDMN C[C@@H](N[C@@H](C)c1ccc(OC(F)F)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000125394050 860656371 /nfs/dbraw/zinc/65/63/71/860656371.db2.gz VABZLHQYOOBKNN-NWDGAFQWSA-N 0 1 379.363 3.874 20 5 GHBDMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000021636494 860863828 /nfs/dbraw/zinc/86/38/28/860863828.db2.gz QJTUISYXTPJXDR-UHFFFAOYSA-N 0 1 388.855 3.561 20 5 GHBDMN CCCCNC(=O)[C@@H]1CC[C@H](C)N(Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000609193887 881615609 /nfs/dbraw/zinc/61/56/09/881615609.db2.gz WSNZWGIQWNJRCQ-DLBZAZTESA-N 0 1 391.512 3.899 20 5 GHBDMN CC[C@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)N1CCc2ccccc2C1 ZINC000603739657 861133117 /nfs/dbraw/zinc/13/31/17/861133117.db2.gz KDSAXRRKTCACGP-GOSISDBHSA-N 0 1 393.443 3.908 20 5 GHBDMN CCCCNC(=O)[C@H]1CC[C@@H](C)N(Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000609193890 881617830 /nfs/dbraw/zinc/61/78/30/881617830.db2.gz WSNZWGIQWNJRCQ-SJORKVTESA-N 0 1 391.512 3.899 20 5 GHBDMN CCc1nc2c(s1)[C@@H]([N@H+](C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])CCC2 ZINC000593740633 861151280 /nfs/dbraw/zinc/15/12/80/861151280.db2.gz IRMKYNJKILKQOK-HNNXBMFYSA-N 0 1 375.450 3.821 20 5 GHBDMN CCc1nc2c(s1)[C@@H]([N@@H+](C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])CCC2 ZINC000593740633 861151285 /nfs/dbraw/zinc/15/12/85/861151285.db2.gz IRMKYNJKILKQOK-HNNXBMFYSA-N 0 1 375.450 3.821 20 5 GHBDMN COc1ccc(C[C@H]2CCCC[N@H+]2Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])cc1 ZINC000593755671 861184990 /nfs/dbraw/zinc/18/49/90/861184990.db2.gz KNDHHEHGSKEPNU-GOSISDBHSA-N 0 1 384.432 3.899 20 5 GHBDMN CC(C)(C)c1ccc(C(=O)NCCc2nc3ccc(F)cc3[nH]2)cc1[N+](=O)[O-] ZINC000482516222 863246793 /nfs/dbraw/zinc/24/67/93/863246793.db2.gz YGZKOVDIMYLIIX-UHFFFAOYSA-N 0 1 384.411 3.880 20 5 GHBDMN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNC[C@@H]1CCC2(CCOCC2)O1 ZINC000896922286 863881552 /nfs/dbraw/zinc/88/15/52/863881552.db2.gz XAANGGPSOIEDRQ-ZDUSSCGKSA-N 0 1 375.252 3.719 20 5 GHBDMN CCN(CC)[C@@H](CNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)c1ccco1 ZINC000185133497 865347967 /nfs/dbraw/zinc/34/79/67/865347967.db2.gz UUGNOVSTWRLHNT-DYVFJYSZSA-N 0 1 377.416 3.630 20 5 GHBDMN C[C@@H](C(=O)NC[C@H](c1ccc(Cl)cc1)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000555312961 865886823 /nfs/dbraw/zinc/88/68/23/865886823.db2.gz XJQHFBFMFCEUIU-FZKQIMNGSA-N 0 1 375.856 3.771 20 5 GHBDMN O=[N+]([O-])c1ccccc1OCCN1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000552835297 866301424 /nfs/dbraw/zinc/30/14/24/866301424.db2.gz HYULYANPFLCPHE-AWEZNQCLSA-N 0 1 397.353 3.541 20 5 GHBDMN Cc1ccc([C@H](CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)N2CCCC2)o1 ZINC000534226770 866340057 /nfs/dbraw/zinc/34/00/57/866340057.db2.gz POYYTSCSKGALMG-KRWDZBQOSA-N 0 1 382.420 3.544 20 5 GHBDMN CCN(Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)[C@@H](C)c1ccc(F)cc1 ZINC000475575303 866383903 /nfs/dbraw/zinc/38/39/03/866383903.db2.gz ZYOGPDCEUURPEO-AWEZNQCLSA-N 0 1 390.411 3.869 20 5 GHBDMN CCN1CCN(c2ccc(C(=O)O[C@@H](C)c3cccc([N+](=O)[O-])c3)cc2)CC1 ZINC000741343970 866433606 /nfs/dbraw/zinc/43/36/06/866433606.db2.gz ZRCRUZBXLPXQIK-INIZCTEOSA-N 0 1 383.448 3.655 20 5 GHBDMN C[C@@H](c1ccccc1Br)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440487631 866932342 /nfs/dbraw/zinc/93/23/42/866932342.db2.gz LKLHDTWJSDACEI-QWHCGFSZSA-N 0 1 391.269 4.000 20 5 GHBDMN CN(CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Cc1cc(Cl)ccc1F ZINC000444713956 867107188 /nfs/dbraw/zinc/10/71/88/867107188.db2.gz ICLABRINMRLHOK-UHFFFAOYSA-N 0 1 393.802 3.817 20 5 GHBDMN O=C(NC[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1)OCc1ccccc1 ZINC000793298687 882076445 /nfs/dbraw/zinc/07/64/45/882076445.db2.gz NODVHIWBXYHTMW-LJQANCHMSA-N 0 1 383.448 3.733 20 5 GHBDMN CN(C(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CCN(CCC(F)(F)F)CC1 ZINC000457085710 867636797 /nfs/dbraw/zinc/63/67/97/867636797.db2.gz MXWNSWCSBQPCTL-UHFFFAOYSA-N 0 1 393.793 3.737 20 5 GHBDMN O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2NCc2c(F)cccc2OC(F)F)n1 ZINC000479491086 867876709 /nfs/dbraw/zinc/87/67/09/867876709.db2.gz RICJZEPDAMKFAB-KBPBESRZSA-N 0 1 384.358 3.805 20 5 GHBDMN O=C(CNc1ccccc1[N+](=O)[O-])N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000440736660 868350848 /nfs/dbraw/zinc/35/08/48/868350848.db2.gz QOOPKUAJMDPMGF-QGZVFWFLSA-N 0 1 399.838 3.900 20 5 GHBDMN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cccc(C3SCCS3)c2)c1 ZINC000743776436 868402852 /nfs/dbraw/zinc/40/28/52/868402852.db2.gz FBQFYKCORXJUAU-UHFFFAOYSA-N 0 1 382.488 3.874 20 5 GHBDMN O=[N+]([O-])c1cccc(OCCN2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)c1 ZINC000535314849 868520753 /nfs/dbraw/zinc/52/07/53/868520753.db2.gz RXFQRZYIJRWNMX-SFHVURJKSA-N 0 1 379.420 3.596 20 5 GHBDMN O=C(Nc1nc2ccc(Br)cc2[nH]1)c1cc([N+](=O)[O-])ccc1F ZINC000744379413 868797908 /nfs/dbraw/zinc/79/79/08/868797908.db2.gz MVWFRDPKMYGIJW-UHFFFAOYSA-N 0 1 379.145 3.625 20 5 GHBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C[C@H]1CCCO1)[C@H]1CCSC1 ZINC000535549673 868959593 /nfs/dbraw/zinc/95/95/93/868959593.db2.gz FORYLXFOGRHRTG-ZWKOTPCHSA-N 0 1 380.510 3.869 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@@H]1CCCc2occc21 ZINC000462458222 869491381 /nfs/dbraw/zinc/49/13/81/869491381.db2.gz JYULNBXPSIYXAH-LLVKDONJSA-N 0 1 391.232 3.851 20 5 GHBDMN O=C(Cc1ccccc1[N+](=O)[O-])N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000539753285 869714655 /nfs/dbraw/zinc/71/46/55/869714655.db2.gz NUIHYXNPRKFOES-KRWDZBQOSA-N 0 1 397.479 3.709 20 5 GHBDMN CCN(CCNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])CCC(F)(F)F ZINC000446338950 869733056 /nfs/dbraw/zinc/73/30/56/869733056.db2.gz CJSUCHZXPTWUJQ-UHFFFAOYSA-N 0 1 381.782 3.561 20 5 GHBDMN COC(=O)[C@]1(C)CCN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000539824862 869832289 /nfs/dbraw/zinc/83/22/89/869832289.db2.gz MSVQUSAMKNCYMW-HXUWFJFHSA-N 0 1 388.395 3.911 20 5 GHBDMN C[C@@H](CN1CCN(c2ccccc2)CC1)Nc1ccc2ncccc2c1[N+](=O)[O-] ZINC000462853491 870210842 /nfs/dbraw/zinc/21/08/42/870210842.db2.gz NTEJDUCVRNUIMF-KRWDZBQOSA-N 0 1 391.475 3.766 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000181345783 870887434 /nfs/dbraw/zinc/88/74/34/870887434.db2.gz BGABXPJAVCNSJR-MRXNPFEDSA-N 0 1 391.431 3.708 20 5 GHBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC001169111116 871237558 /nfs/dbraw/zinc/23/75/58/871237558.db2.gz HKJOOSUHEYHBAU-QGZVFWFLSA-N 0 1 393.484 3.775 20 5 GHBDMN COc1ccc(NC(=O)CN[C@@H](C)c2ccccc2C(F)(F)F)c([N+](=O)[O-])c1 ZINC000540457552 871351563 /nfs/dbraw/zinc/35/15/63/871351563.db2.gz FGWKDLVUHRRBGH-NSHDSACASA-N 0 1 397.353 3.912 20 5 GHBDMN COc1ccc(CCN(CC(C)C)Cn2nc(C)c([N+](=O)[O-])c2C)cc1OC ZINC000115513119 882502489 /nfs/dbraw/zinc/50/24/89/882502489.db2.gz MAIZNGMUYMNPCA-UHFFFAOYSA-N 0 1 390.484 3.584 20 5 GHBDMN C[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)c1cc2cnccc2o1 ZINC001194027358 871441646 /nfs/dbraw/zinc/44/16/46/871441646.db2.gz GGCGFPPEUWMSSL-MRVPVSSYSA-N 0 1 399.787 3.568 20 5 GHBDMN C[C@@H]1CN(Cc2ccc(CNc3ncc([N+](=O)[O-])cc3Cl)cc2)C[C@H](C)O1 ZINC000301259054 871523666 /nfs/dbraw/zinc/52/36/66/871523666.db2.gz FKOIARYRYNAUMH-OKILXGFUSA-N 0 1 390.871 3.865 20 5 GHBDMN CC(C)c1ccc(OCCNC(=O)CN[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000539277821 871606503 /nfs/dbraw/zinc/60/65/03/871606503.db2.gz XAOOBMQZXSXKJY-MRXNPFEDSA-N 0 1 385.464 3.564 20 5 GHBDMN C[C@@H](NCC(=O)Nc1ccnn1CC1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000539279025 871607510 /nfs/dbraw/zinc/60/75/10/871607510.db2.gz IOYVOIPKADTGIJ-OAHLLOKOSA-N 0 1 385.468 3.661 20 5 GHBDMN CCOc1cc(CN2CCC[C@@](CO)(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000463443562 871753315 /nfs/dbraw/zinc/75/33/15/871753315.db2.gz OQHXASOLKXQNCT-JOCHJYFZSA-N 0 1 384.476 3.811 20 5 GHBDMN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000462181614 871780533 /nfs/dbraw/zinc/78/05/33/871780533.db2.gz KWTPGSGNTIXSJB-KBXCAEBGSA-N 0 1 379.416 3.591 20 5 GHBDMN CCOc1ccc(CN(C)C(=O)CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000539376717 871855301 /nfs/dbraw/zinc/85/53/01/871855301.db2.gz GZCOXBSQCLSDKY-MRXNPFEDSA-N 0 1 385.464 3.611 20 5 GHBDMN CC[C@@]1(C)Oc2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2O1 ZINC000785489283 871942417 /nfs/dbraw/zinc/94/24/17/871942417.db2.gz QTHAQEMFNHPCIO-KRWDZBQOSA-N 0 1 378.406 3.601 20 5 GHBDMN CCOc1cc(C(=O)Nc2c(F)cc(C(C)=O)cc2F)c([N+](=O)[O-])cc1OC ZINC000540741319 872081342 /nfs/dbraw/zinc/08/13/42/872081342.db2.gz JPSLPPRGGCVHAL-UHFFFAOYSA-N 0 1 394.330 3.735 20 5 GHBDMN C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](Oc2cncc(Br)c2)C1 ZINC001195575164 872480029 /nfs/dbraw/zinc/48/00/29/872480029.db2.gz ALLZAEOINQRZJA-OCCSQVGLSA-N 0 1 392.253 3.967 20 5 GHBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@H](Oc2cncc(Br)c2)C1 ZINC001195575164 872480043 /nfs/dbraw/zinc/48/00/43/872480043.db2.gz ALLZAEOINQRZJA-OCCSQVGLSA-N 0 1 392.253 3.967 20 5 GHBDMN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000448029981 872754289 /nfs/dbraw/zinc/75/42/89/872754289.db2.gz RIOHRBYTICOUDA-MGPUTAFESA-N 0 1 382.464 3.825 20 5 GHBDMN CCCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(=O)Nc1ccccc1C ZINC000122413821 873185127 /nfs/dbraw/zinc/18/51/27/873185127.db2.gz IQPICHHLMRTSTI-UHFFFAOYSA-N 0 1 398.463 3.583 20 5 GHBDMN Cc1ccc(CN2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000768916128 873685145 /nfs/dbraw/zinc/68/51/45/873685145.db2.gz SZWLRUAKVTVWLJ-QGZVFWFLSA-N 0 1 377.485 3.982 20 5 GHBDMN CCc1ccc([C@@H](NCCc2cccc(C(N)=O)c2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541566518 873841549 /nfs/dbraw/zinc/84/15/49/873841549.db2.gz YAJDCYFRBKLQJS-NRFANRHFSA-N 0 1 393.443 3.771 20 5 GHBDMN C[C@H](NCC(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC001197658063 873950985 /nfs/dbraw/zinc/95/09/85/873950985.db2.gz CLOCAESFHOINDP-NSHDSACASA-N 0 1 383.326 3.783 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1CC2(CCC2)Oc2ccccc21 ZINC001197671538 873958971 /nfs/dbraw/zinc/95/89/71/873958971.db2.gz JPOJMKQMLUJWFQ-QGZVFWFLSA-N 0 1 397.431 3.578 20 5 GHBDMN C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000541783339 874256074 /nfs/dbraw/zinc/25/60/74/874256074.db2.gz DVUVNXIVYBZFTR-OAHLLOKOSA-N 0 1 386.427 3.862 20 5 GHBDMN CN(C)[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)c1ccc(Cl)cc1 ZINC000541785501 874299068 /nfs/dbraw/zinc/29/90/68/874299068.db2.gz UZRBBPDGCVUBTC-MRXNPFEDSA-N 0 1 380.807 3.812 20 5 GHBDMN COc1cccc([C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)N(C)C)c1 ZINC000770005369 874396749 /nfs/dbraw/zinc/39/67/49/874396749.db2.gz AVMCEOGDLTXLSE-QGZVFWFLSA-N 0 1 392.843 3.681 20 5 GHBDMN CN(C)c1ccc(C2CCN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)CC2)cc1 ZINC000775880725 874516289 /nfs/dbraw/zinc/51/62/89/874516289.db2.gz MIDRPSBXBXTRJJ-UHFFFAOYSA-N 0 1 397.475 3.907 20 5 GHBDMN O=[N+]([O-])c1ccn(C2CCN(Cc3cnc(-c4ccccc4F)s3)CC2)n1 ZINC000449285315 874669783 /nfs/dbraw/zinc/66/97/83/874669783.db2.gz DGAQOXFYCBJAIZ-UHFFFAOYSA-N 0 1 387.440 3.891 20 5 GHBDMN CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CCC[C@H](COC)C2)cc1OC ZINC000541987160 874678130 /nfs/dbraw/zinc/67/81/30/874678130.db2.gz LXRBLPSWAMBEBD-CVEARBPZSA-N 0 1 380.485 3.887 20 5 GHBDMN Cc1ccc([C@H](C)N[C@@H](Cc2ccc(C(F)(F)F)cc2)C(N)=O)cc1[N+](=O)[O-] ZINC000542233123 875188819 /nfs/dbraw/zinc/18/88/19/875188819.db2.gz GCXRZEXFJJOIKH-LRDDRELGSA-N 0 1 395.381 3.669 20 5 GHBDMN COc1cccc([C@H]2C[C@H](N(C)Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)c1 ZINC000449755103 875352803 /nfs/dbraw/zinc/35/28/03/875352803.db2.gz MEZZOQGPEBEGAN-RZDIXWSQSA-N 0 1 384.432 3.848 20 5 GHBDMN COc1ccc(OCC[N@H+]2CCC[C@@H]2c2cccc(N(C)C)c2)c([N+](=O)[O-])c1 ZINC000441367333 875356196 /nfs/dbraw/zinc/35/61/96/875356196.db2.gz HGFJWALLSORFTN-LJQANCHMSA-N 0 1 385.464 3.885 20 5 GHBDMN Cc1ccccc1-c1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)[nH]n1 ZINC000491586488 875809090 /nfs/dbraw/zinc/80/90/90/875809090.db2.gz NWFBYPDAUWKMBO-UHFFFAOYSA-N 0 1 386.433 3.711 20 5 GHBDMN C[C@H]1CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)C[C@H](c2ccsc2)O1 ZINC000450163326 876027450 /nfs/dbraw/zinc/02/74/50/876027450.db2.gz SUXZWKAXRKDIRY-KPZWWZAWSA-N 0 1 398.444 3.649 20 5 GHBDMN O=[N+]([O-])c1ccc(OC(F)F)c(CN[C@@H]2CCN(c3ccccc3F)C2)c1 ZINC000492210225 876443166 /nfs/dbraw/zinc/44/31/66/876443166.db2.gz NDRSBCDIPGWBLG-CYBMUJFWSA-N 0 1 381.354 3.704 20 5 GHBDMN Cc1n[nH]c(C(C)C)c1C(=O)O[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000786351032 876617223 /nfs/dbraw/zinc/61/72/23/876617223.db2.gz RGUSOZBIAWKUJE-SNVBAGLBSA-N 0 1 394.815 3.587 20 5 GHBDMN CN(C)C(=O)[C@@H]1CCCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000122577791 876705366 /nfs/dbraw/zinc/70/53/66/876705366.db2.gz QDQFXLIYSZZQGG-INIZCTEOSA-N 0 1 377.828 3.561 20 5 GHBDMN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000477203452 877211535 /nfs/dbraw/zinc/21/15/35/877211535.db2.gz HANCOMXBYPMOEE-UHFFFAOYSA-N 0 1 387.867 3.905 20 5 GHBDMN Cc1ccc(NC(=O)c2ccc(N3CCN(C)C[C@H]3C(C)C)c([N+](=O)[O-])c2)cc1 ZINC000609965551 877225381 /nfs/dbraw/zinc/22/53/81/877225381.db2.gz JWZDDKOPKARJOX-NRFANRHFSA-N 0 1 396.491 3.932 20 5 GHBDMN Cc1ccc2nc([C@H]3CCCN3CC(=O)Nc3cc([N+](=O)[O-])ccc3C)[nH]c2c1 ZINC000451017080 877240574 /nfs/dbraw/zinc/24/05/74/877240574.db2.gz OZBODKGZMLUOAD-LJQANCHMSA-N 0 1 393.447 3.864 20 5 GHBDMN COc1ccc([C@@H](NC(=O)CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)C(C)C)cc1 ZINC000451096122 877328895 /nfs/dbraw/zinc/32/88/95/877328895.db2.gz AMBLWTHUXFPWLN-BTYIYWSLSA-N 0 1 385.464 3.768 20 5 GHBDMN CCOc1ccccc1[C@@H](CC)NC(=O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451102001 877395328 /nfs/dbraw/zinc/39/53/28/877395328.db2.gz BBVNPYJZPMDRFU-HNAYVOBHSA-N 0 1 385.464 3.912 20 5 GHBDMN Cc1cc(Br)ccc1[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(F)(F)F ZINC000851183150 877490583 /nfs/dbraw/zinc/49/05/83/877490583.db2.gz SGNLNWOMXZZABQ-GMTAPVOTSA-N 0 1 382.132 3.569 20 5 GHBDMN Cc1ccc(NC(=O)[C@H](N[C@H]2CCOC2(C)C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000451240542 877639928 /nfs/dbraw/zinc/63/99/28/877639928.db2.gz HVHLRJATZYKFLB-RBUKOAKNSA-N 0 1 383.448 3.740 20 5 GHBDMN CC(C)(NC(=O)NC[C@@H](c1ccco1)N1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000487535743 877664440 /nfs/dbraw/zinc/66/44/40/877664440.db2.gz IZBXDIFQVKGDNN-KRWDZBQOSA-N 0 1 386.452 3.559 20 5 GHBDMN O=C([O-])/C=C/c1ccc(OCC[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000851708730 877872723 /nfs/dbraw/zinc/87/27/23/877872723.db2.gz LWWONFUPKONTGM-GIHFNCESSA-N 0 1 396.443 3.951 20 5 GHBDMN Cc1ccc(C(=O)N[C@H]2CCc3nc(C4CCCCC4)[nH]c3C2)cc1[N+](=O)[O-] ZINC000788248780 877950655 /nfs/dbraw/zinc/95/06/55/877950655.db2.gz XIFSOVUTMAERLP-INIZCTEOSA-N 0 1 382.464 3.961 20 5 GHBDMN O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000551991136 878121138 /nfs/dbraw/zinc/12/11/38/878121138.db2.gz KVJCKKMUPLBESY-SFHVURJKSA-N 0 1 389.839 3.521 20 5 GHBDMN CN(C)[C@@H](CNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])c1cccs1 ZINC000537731390 878208721 /nfs/dbraw/zinc/20/87/21/878208721.db2.gz OXLDWYOOCJWXIS-INIZCTEOSA-N 0 1 396.472 3.751 20 5 GHBDMN CC(C)(C)OC(=O)[C@@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)Cc2ccccc21 ZINC000852319142 878236071 /nfs/dbraw/zinc/23/60/71/878236071.db2.gz ZBOHLGUOIQOQHX-WOJBJXKFSA-N 0 1 398.459 3.569 20 5 GHBDMN Cc1ccc([C@H](C)N[C@H]2CC(=O)N(c3c(F)cccc3F)C2)cc1[N+](=O)[O-] ZINC000537767515 878264703 /nfs/dbraw/zinc/26/47/03/878264703.db2.gz NQNJYNSBKCOUDX-JSGCOSHPSA-N 0 1 375.375 3.638 20 5 GHBDMN C[C@H](Nc1cccc(CN2C[C@@H](C)O[C@@H](C)C2)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788704254 878266595 /nfs/dbraw/zinc/26/65/95/878266595.db2.gz NVDWSZFTLAUJFH-XHSDSOJGSA-N 0 1 384.480 3.959 20 5 GHBDMN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)c1C ZINC000788845818 878380456 /nfs/dbraw/zinc/38/04/56/878380456.db2.gz GRVUNZHFKLHJDB-UHFFFAOYSA-N 0 1 379.394 3.537 20 5 GHBDMN CC(C)(NC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)c1c[nH]nn1 ZINC001299204466 878533341 /nfs/dbraw/zinc/53/33/41/878533341.db2.gz GBDGQJXHEMKATL-UHFFFAOYSA-N 0 1 383.433 3.529 20 5 GHBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C)C1CCN(CC(F)(F)F)CC1 ZINC000452035487 878860972 /nfs/dbraw/zinc/86/09/72/878860972.db2.gz GOXDWYLXURZETH-UHFFFAOYSA-N 0 1 389.418 3.841 20 5 GHBDMN C[C@H](NC(=O)c1ccc(CN2CCSCC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000452183307 879097450 /nfs/dbraw/zinc/09/74/50/879097450.db2.gz ODBZMDZWWGKHRE-HNNXBMFYSA-N 0 1 385.489 3.635 20 5 GHBDMN Cc1ccc(C[NH2+][C@@H](C(=O)[O-])c2ccccc2Br)cc1[N+](=O)[O-] ZINC000617345473 879615987 /nfs/dbraw/zinc/61/59/87/879615987.db2.gz XFKFLSGERWXUHU-OAHLLOKOSA-N 0 1 379.210 3.581 20 5 GHBDMN Cc1ccc(Cl)cc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000790387885 879659134 /nfs/dbraw/zinc/65/91/34/879659134.db2.gz VTKPKSNVYOHBBW-UHFFFAOYSA-N 0 1 399.812 3.882 20 5 GHBDMN Cc1ccccc1CN1CCCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000031766546 879981807 /nfs/dbraw/zinc/98/18/07/879981807.db2.gz HEXZEHDDVRBQIO-UHFFFAOYSA-N 0 1 387.867 3.905 20 5 GHBDMN Cn1cc(CNCc2ccccc2OC(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237934733 881275974 /nfs/dbraw/zinc/27/59/74/881275974.db2.gz OXAXNOATPUDQEF-UHFFFAOYSA-N 0 1 388.374 3.887 20 5 GHBDMN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@H]1CCCN1Cc1ccccc1 ZINC000919965554 881297160 /nfs/dbraw/zinc/29/71/60/881297160.db2.gz KNWXGTQVMCXCPV-LJQANCHMSA-N 0 1 387.867 3.871 20 5 GHBDMN Cc1ccc(NC(=O)[C@H](N[C@]2(C)CCO[C@H]2C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000494231146 881304882 /nfs/dbraw/zinc/30/48/82/881304882.db2.gz PINJVPDOGMTWBP-NYSBEXSLSA-N 0 1 383.448 3.740 20 5 GHBDMN CC(C)(C)c1ccc(C(=O)N[C@H](Cc2nc[nH]n2)c2ccccc2)cc1[N+](=O)[O-] ZINC000476825669 883225719 /nfs/dbraw/zinc/22/57/19/883225719.db2.gz UGKGYALDEKWVEF-QGZVFWFLSA-N 0 1 393.447 3.724 20 5 GHBDMN CNc1ccc(C(=O)Nc2nc(-c3ccc(C(C)(C)C)cc3)n[nH]2)cc1[N+](=O)[O-] ZINC000609600736 883404642 /nfs/dbraw/zinc/40/46/42/883404642.db2.gz QVHUZJOJMBBBKM-UHFFFAOYSA-N 0 1 394.435 3.971 20 5 GHBDMN C[C@@H]1CN(C)[C@H](C)[C@H](C)N1C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC001130368818 884095747 /nfs/dbraw/zinc/09/57/47/884095747.db2.gz AVHCUBVGXNYIOA-OAGGEKHMSA-N 0 1 382.464 3.892 20 5 GHBDMN O=C(CCN[C@H](c1ccccc1)c1ccccn1)Nc1ccc([N+](=O)[O-])cc1 ZINC000026230721 884218606 /nfs/dbraw/zinc/21/86/06/884218606.db2.gz JGKUVWRCLGRKDM-OAQYLSRUSA-N 0 1 376.416 3.698 20 5 GHBDMN CCN(C(=O)c1n[nH]c(C)c1[N+](=O)[O-])[C@@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC000498558934 884830768 /nfs/dbraw/zinc/83/07/68/884830768.db2.gz GWBDTRXVBXUQHX-LJQANCHMSA-N 0 1 397.410 3.721 20 5 GHBDMN O=C([O-])[C@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000263435310 884853570 /nfs/dbraw/zinc/85/35/70/884853570.db2.gz UGNSKMOLVZVCKP-JTQLQIEISA-N 0 1 395.209 3.524 20 5 GHBDMN Cc1cc(C(=O)N2CCN(Cc3ccccc3)C[C@@H]2C(C)C)cc([N+](=O)[O-])c1 ZINC001131245983 886258481 /nfs/dbraw/zinc/25/84/81/886258481.db2.gz ARUBUJTZKBNBSZ-OAQYLSRUSA-N 0 1 381.476 3.886 20 5 GHBDMN CCN(CC)[C@@H](CNC(=O)c1ccc(SC)c([N+](=O)[O-])c1)c1ccco1 ZINC000195075633 886317695 /nfs/dbraw/zinc/31/76/95/886317695.db2.gz XGMORTYOPLNEBI-HNNXBMFYSA-N 0 1 377.466 3.723 20 5 GHBDMN CCOc1ccc([C@H](C)NCc2ccc(C[S@@](C)=O)cc2)cc1[N+](=O)[O-] ZINC000556910857 886652459 /nfs/dbraw/zinc/65/24/59/886652459.db2.gz FEDYIQPEGUYDHG-RMKBEBRYSA-N 0 1 376.478 3.723 20 5 GHBDMN CN(C(=O)OC(C)(C)C)c1ccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1 ZINC000862830509 886678668 /nfs/dbraw/zinc/67/86/68/886678668.db2.gz LTOWZGKAMICRLY-UHFFFAOYSA-N 0 1 387.392 3.924 20 5 GHBDMN O=C(Nc1ccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1)c1cccs1 ZINC000475913805 887740834 /nfs/dbraw/zinc/74/08/34/887740834.db2.gz ZVFAOHKACIQIDC-UHFFFAOYSA-N 0 1 383.385 3.867 20 5 GHBDMN CC(C)(C)OC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1cc([O-])ccc1[N+](=O)[O-])C2 ZINC000809771067 887761335 /nfs/dbraw/zinc/76/13/35/887761335.db2.gz JMJVPTZVLJYNDI-HXUWFJFHSA-N 0 1 391.468 3.523 20 5 GHBDMN O=[N+]([O-])c1cc(S(=O)(=O)NCC2(C(F)(F)F)CC2)c(Cl)cc1Cl ZINC000809845562 887861087 /nfs/dbraw/zinc/86/10/87/887861087.db2.gz PKZJVYPBFKFDIB-UHFFFAOYSA-N 0 1 393.170 3.522 20 5 GHBDMN C[C@@H](N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000194059491 887995932 /nfs/dbraw/zinc/99/59/32/887995932.db2.gz JMMCULSACCDPEP-MNOVXSKESA-N 0 1 392.799 3.834 20 5 GHBDMN CN(CCc1ccccc1[N+](=O)[O-])Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000796113866 913289586 /nfs/dbraw/zinc/28/95/86/913289586.db2.gz PIJQCMCCUGVKAU-UHFFFAOYSA-N 0 1 394.225 3.940 20 5 GHBDMN CC1(C)C[C@@H](NCc2ccncc2OC[C@@H]2CCOC2)c2cc([N+](=O)[O-])ccc21 ZINC000287461736 913353713 /nfs/dbraw/zinc/35/37/13/913353713.db2.gz VUOGNBMFKYTGDL-FOIQADDNSA-N 0 1 397.475 3.917 20 5 GHBDMN C[C@H](CNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000811498602 889650744 /nfs/dbraw/zinc/65/07/44/889650744.db2.gz ZKSFGMPMBBAWAK-SECBINFHSA-N 0 1 378.256 3.904 20 5 GHBDMN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1cccc(CS(C)(=O)=O)c1 ZINC000872031662 891125536 /nfs/dbraw/zinc/12/55/36/891125536.db2.gz SGDBDVSSHPEYEX-CYBMUJFWSA-N 0 1 394.518 3.712 20 5 GHBDMN O=C(CNc1ccccc1[N+](=O)[O-])Nc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000497457437 891655176 /nfs/dbraw/zinc/65/51/76/891655176.db2.gz FBJUPVCIQUPDJB-UHFFFAOYSA-N 0 1 379.298 3.541 20 5 GHBDMN Cc1ccc(CN2CC[C@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000814175953 892328726 /nfs/dbraw/zinc/32/87/26/892328726.db2.gz KWBADGZRTZTNSW-IRXDYDNUSA-N 0 1 375.469 3.735 20 5 GHBDMN C[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1cccc(OCc2ccccn2)c1 ZINC000476007424 892366145 /nfs/dbraw/zinc/36/61/45/892366145.db2.gz OMEPHVUQPZKUFJ-AWEZNQCLSA-N 0 1 393.399 3.765 20 5 GHBDMN Cc1n[nH]c(C(F)F)c1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000497896803 892676509 /nfs/dbraw/zinc/67/65/09/892676509.db2.gz GKUMWZFBMPAAKJ-UHFFFAOYSA-N 0 1 375.129 3.579 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(Oc2cncc(Cl)n2)CC1 ZINC000778181925 893127288 /nfs/dbraw/zinc/12/72/88/893127288.db2.gz QORXFEDGFWQOES-ZDUSSCGKSA-N 0 1 376.844 3.951 20 5 GHBDMN COc1ccc([C@H]2CCN(Cc3nnc(-c4ccccc4[N+](=O)[O-])o3)C2)cc1 ZINC000878023183 893957063 /nfs/dbraw/zinc/95/70/63/893957063.db2.gz SELUXGBOTOLIEE-HNNXBMFYSA-N 0 1 380.404 3.643 20 5 GHBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000459802944 894216114 /nfs/dbraw/zinc/21/61/14/894216114.db2.gz NGFVUYVUXWPYOG-JEBQAFNWSA-N 0 1 386.452 3.579 20 5 GHBDMN CCOC1(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCCC1 ZINC000563979141 894392652 /nfs/dbraw/zinc/39/26/52/894392652.db2.gz UOPPTBXSIDDCOK-UHFFFAOYSA-N 0 1 397.280 3.529 20 5 GHBDMN O=C(CN[C@@H]1CC=CC[C@H]1C(F)(F)F)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000879669932 895219176 /nfs/dbraw/zinc/21/91/76/895219176.db2.gz ZSIOMPGUTQPINQ-GHMZBOCLSA-N 0 1 377.750 3.673 20 5 GHBDMN CC(C)[C@H](CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000565037675 895361100 /nfs/dbraw/zinc/36/11/00/895361100.db2.gz AFDIRNSOYGLTTK-FQEVSTJZSA-N 0 1 383.448 3.788 20 5 GHBDMN COc1ccc(C[C@@H]2CCCN(CC(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)cc1 ZINC000565924725 895984070 /nfs/dbraw/zinc/98/40/70/895984070.db2.gz ZFVQMBMKAQJNCE-SFHVURJKSA-N 0 1 397.475 3.805 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826293662 897071248 /nfs/dbraw/zinc/07/12/48/897071248.db2.gz XKYRCXXLRZEIIH-HNNXBMFYSA-N 0 1 390.447 3.934 20 5 GHBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@@H](c2ccncc2)C1 ZINC000289338531 914147189 /nfs/dbraw/zinc/14/71/89/914147189.db2.gz LOMPUCIHCPKZTG-RHSMWYFYSA-N 0 1 379.420 3.980 20 5 GHBDMN O=[N+]([O-])c1cccc2c1CC[C@H]2NCc1cc(Cl)ccc1N1CCOCC1 ZINC000568531843 897915229 /nfs/dbraw/zinc/91/52/29/897915229.db2.gz QUTQFBMZQBCLQT-GOSISDBHSA-N 0 1 387.867 3.862 20 5 GHBDMN Cc1cc([N+](=O)[O-])c(F)c(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)c1F ZINC000821786407 898073492 /nfs/dbraw/zinc/07/34/92/898073492.db2.gz ZMWRWHXAUKAJBR-HNNXBMFYSA-N 0 1 389.402 3.576 20 5 GHBDMN CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000568929169 898219552 /nfs/dbraw/zinc/21/95/52/898219552.db2.gz SSICFGPYDMVVHO-NRFANRHFSA-N 0 1 388.439 3.560 20 5 GHBDMN O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCc2nc[nH]c2[C@@H]1c1ccccc1 ZINC001170982839 898268977 /nfs/dbraw/zinc/26/89/77/898268977.db2.gz AHDJGYCSUUEZHZ-SFHVURJKSA-N 0 1 382.807 3.759 20 5 GHBDMN O=[N+]([O-])c1ccc([O-])cc1C[NH2+][C@H](c1cncc(Br)c1)C1CC1 ZINC000569714141 898906083 /nfs/dbraw/zinc/90/60/83/898906083.db2.gz WBNSAKQAVMRVIC-INIZCTEOSA-N 0 1 378.226 3.699 20 5 GHBDMN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000570361305 899281198 /nfs/dbraw/zinc/28/11/98/899281198.db2.gz SBWJJCHMFJQOKT-UHFFFAOYSA-N 0 1 382.273 3.868 20 5 GHBDMN CC1CCN([C@@H](CNC(=O)c2csc([N+](=O)[O-])c2)c2cccs2)CC1 ZINC000044313982 899397541 /nfs/dbraw/zinc/39/75/41/899397541.db2.gz RXEZVUUSOLHBQK-AWEZNQCLSA-N 0 1 379.507 3.921 20 5 GHBDMN Cc1cc(OCc2nc(-c3ccc(F)c(CN(C)C)c3)no2)ccc1[N+](=O)[O-] ZINC000571191376 899772868 /nfs/dbraw/zinc/77/28/68/899772868.db2.gz WPCLVCYVAKQTLS-UHFFFAOYSA-N 0 1 386.383 3.733 20 5 GHBDMN O=[N+]([O-])c1ccc(CNC[C@H](O)c2ccc(OC(F)(F)F)cc2)c(Cl)c1 ZINC000824861509 899842377 /nfs/dbraw/zinc/84/23/77/899842377.db2.gz MOVKQRBLGMJDJW-HNNXBMFYSA-N 0 1 390.745 3.970 20 5 GHBDMN CSCc1n[nH]c(CNc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])n1 ZINC000884694969 900238261 /nfs/dbraw/zinc/23/82/61/900238261.db2.gz DEEGFQBQANMHJG-UHFFFAOYSA-N 0 1 381.767 3.860 20 5 GHBDMN CSCc1nnc(CNc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])[nH]1 ZINC000884694969 900238274 /nfs/dbraw/zinc/23/82/74/900238274.db2.gz DEEGFQBQANMHJG-UHFFFAOYSA-N 0 1 381.767 3.860 20 5 GHBDMN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N(C)C1CCN(CCC(F)(F)F)CC1 ZINC000843903806 900317642 /nfs/dbraw/zinc/31/76/42/900317642.db2.gz PCOAXTLWRCONAP-UHFFFAOYSA-N 0 1 391.365 3.531 20 5 GHBDMN CN(C)Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)cc1F ZINC000778843487 900473899 /nfs/dbraw/zinc/47/38/99/900473899.db2.gz CNBSWVGHVBWWMI-UHFFFAOYSA-N 0 1 383.326 3.649 20 5 GHBDMN C[C@@H]1CN(Cc2ccc(CNC(=O)Nc3ccc([N+](=O)[O-])cc3)cc2)C[C@@H](C)O1 ZINC000047611638 902204336 /nfs/dbraw/zinc/20/43/36/902204336.db2.gz PTWQOOBNVJQANQ-HZPDHXFCSA-N 0 1 398.463 3.526 20 5 GHBDMN CCOC(=O)c1cnn(C2CCN(C/C=C/c3ccccc3[N+](=O)[O-])CC2)c1C ZINC000576983416 902407304 /nfs/dbraw/zinc/40/73/04/902407304.db2.gz CHEFEDXALZRLLO-SOFGYWHQSA-N 0 1 398.463 3.627 20 5 GHBDMN Cc1ccc(NC(=O)c2ccc(N[C@H]3CCc4[nH]cnc4C3)c([N+](=O)[O-])c2)cc1 ZINC000577993912 903424817 /nfs/dbraw/zinc/42/48/17/903424817.db2.gz UPINIKMGBZCCTD-INIZCTEOSA-N 0 1 391.431 3.848 20 5 GHBDMN C[C@H](COCC(F)(F)F)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000264979128 903528367 /nfs/dbraw/zinc/52/83/67/903528367.db2.gz TYPUSFZSQVBFKZ-SNVBAGLBSA-N 0 1 375.372 3.775 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H]([C@H]2CCCC2(C)C)C1 ZINC001171455676 904719586 /nfs/dbraw/zinc/71/95/86/904719586.db2.gz CJZDLNUCIJIXPJ-GDBMZVCRSA-N 0 1 375.469 3.690 20 5 GHBDMN COC(=O)[C@@H]1CN(Cc2cc(F)ccc2[N+](=O)[O-])C[C@H]1c1ccc(Cl)cc1 ZINC001171606749 904868094 /nfs/dbraw/zinc/86/80/94/904868094.db2.gz BCPGASIGUDKTSZ-DLBZAZTESA-N 0 1 392.814 3.776 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCc2ccccc2C(C)(C)C1 ZINC001171906323 905137423 /nfs/dbraw/zinc/13/74/23/905137423.db2.gz JVHGOZRLPISDOE-OAHLLOKOSA-N 0 1 397.475 3.766 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C[C@@H](C)NCc2ccncc2Br)c1F ZINC001173182126 906263361 /nfs/dbraw/zinc/26/33/61/906263361.db2.gz HOGNNCHFBQUDQI-SNVBAGLBSA-N 0 1 398.232 3.621 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CC[C@@H](CC(=O)OC(C)(C)C)C2)c1F ZINC001173191290 906272881 /nfs/dbraw/zinc/27/28/81/906272881.db2.gz BJZQDJZNQYTWME-KGLIPLIRSA-N 0 1 396.459 3.727 20 5 GHBDMN CCOC[C@H]1CN([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)Cc2cnn(CC3CC3)c21 ZINC001173223217 906303831 /nfs/dbraw/zinc/30/38/31/906303831.db2.gz AHDCJDCUHRPOAL-OXJNMPFZSA-N 0 1 398.507 3.768 20 5 GHBDMN COc1ccccc1C[C@@H]1CCCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000299304882 921286132 /nfs/dbraw/zinc/28/61/32/921286132.db2.gz DQURQHYMWJDCOM-SFHVURJKSA-N 0 1 394.431 3.861 20 5 GHBDMN O=C(CN[C@@H]1CCCc2c(O)cccc21)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000192357080 907604862 /nfs/dbraw/zinc/60/48/62/907604862.db2.gz ZQIHZXAPQKOBPW-CQSZACIVSA-N 0 1 375.812 3.560 20 5 GHBDMN O=C(Nc1ccc(OC(=O)c2cc([N+](=O)[O-])ccc2O)cc1)c1ccccc1 ZINC000779647712 908061562 /nfs/dbraw/zinc/06/15/62/908061562.db2.gz JEEAGNDRCQBDTG-UHFFFAOYSA-N 0 1 378.340 3.772 20 5 GHBDMN C[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(F)c2)CC[C@H]1CNC(=O)OC(C)(C)C ZINC001176699132 908214787 /nfs/dbraw/zinc/21/47/87/908214787.db2.gz HBOFAJKJLRBGNH-HIFRSBDPSA-N 0 1 381.448 3.717 20 5 GHBDMN CCSc1cc(CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)ccn1 ZINC000189601002 908356769 /nfs/dbraw/zinc/35/67/69/908356769.db2.gz BYFOAQQXGYJLRR-UHFFFAOYSA-N 0 1 383.477 3.792 20 5 GHBDMN O=C(CSc1n[nH]c(=S)s1)Nc1cc2cccnc2c2ncccc12 ZINC001177343798 908535615 /nfs/dbraw/zinc/53/56/15/908535615.db2.gz SJUGUSAEEJLPLS-UHFFFAOYSA-N 0 1 385.499 3.654 20 5 GHBDMN O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@@H](O)COc2cccc(F)c2)o1 ZINC001177479273 908615230 /nfs/dbraw/zinc/61/52/30/908615230.db2.gz MSCCKPRCDLUSQZ-OAHLLOKOSA-N 0 1 386.379 3.523 20 5 GHBDMN C[C@H]1CN(C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])CCN1C1CCCC1 ZINC001177709208 908724953 /nfs/dbraw/zinc/72/49/53/908724953.db2.gz ZTRCXXRNNLFSLP-INIZCTEOSA-N 0 1 394.475 3.746 20 5 GHBDMN C[C@@H](N[C@@H](C)c1cccc(N2CCCS2(=O)=O)c1)c1ccccc1[N+](=O)[O-] ZINC000266501252 909198659 /nfs/dbraw/zinc/19/86/59/909198659.db2.gz VPGMJHGSWRLORO-LSDHHAIUSA-N 0 1 389.477 3.547 20 5 GHBDMN CCOc1ccc2c(c1)c(=N)c1ccc(N)cc1n2C(=O)[C@H]1CC12CCOCC2 ZINC001179318012 909485394 /nfs/dbraw/zinc/48/53/94/909485394.db2.gz SLMZSWYGNQBDQB-GOSISDBHSA-N 0 1 391.471 3.712 20 5 GHBDMN COc1ccc([C@H](O)C2CCN(Cc3ccc(OC)c([N+](=O)[O-])c3)CC2)cc1 ZINC000291231765 915052190 /nfs/dbraw/zinc/05/21/90/915052190.db2.gz KJNDCMLATBMNBG-NRFANRHFSA-N 0 1 386.448 3.558 20 5 GHBDMN CCOCCS(=O)(=O)Nc1cc2nc3cc(N(C)C)ccc3cc2cc1C ZINC001187287328 915153610 /nfs/dbraw/zinc/15/36/10/915153610.db2.gz XMONOMMYWXBXLF-UHFFFAOYSA-N 0 1 387.505 3.541 20 5 GHBDMN COc1ccc(CN[C@@H](C)c2ccc(N3CCCOC3=O)cc2)cc1[N+](=O)[O-] ZINC000292589469 915756268 /nfs/dbraw/zinc/75/62/68/915756268.db2.gz GMFGBLFOQGWWBR-AWEZNQCLSA-N 0 1 385.420 3.801 20 5 GHBDMN C[C@@H]1CN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CCN(C2CC2)C1 ZINC000295319164 917267562 /nfs/dbraw/zinc/26/75/62/917267562.db2.gz KYSHLIZEKLGKJU-HNNXBMFYSA-N 0 1 375.472 3.650 20 5 GHBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NC[C@H]1CCCC[C@@H]1c1ccccc1 ZINC001190349010 917277426 /nfs/dbraw/zinc/27/74/26/917277426.db2.gz ZZDMSNAZTKNMJA-HZPDHXFCSA-N 0 1 392.452 3.986 20 5 GHBDMN CN(CCN1CCCCC1)C(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000652991398 918078506 /nfs/dbraw/zinc/07/85/06/918078506.db2.gz ASQLZUQOHIRQTF-UHFFFAOYSA-N 0 1 399.441 3.517 20 5 GHBDMN COC[C@@H](CC(C)(C)C)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC001191848521 918262453 /nfs/dbraw/zinc/26/24/53/918262453.db2.gz PUHMPLRJITYFFB-SNVBAGLBSA-N 0 1 399.296 3.631 20 5 GHBDMN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)Nc2ccc3[nH]ccc3c2)c1 ZINC000112850749 919345997 /nfs/dbraw/zinc/34/59/97/919345997.db2.gz MRACBTYMGNROQN-UHFFFAOYSA-N 0 1 396.222 3.639 20 5 GHBDMN COc1ccc(-c2ccc(CN[C@@H]3c4ccccc4C[C@H]3O)o2)c([N+](=O)[O-])c1 ZINC000119189742 919610861 /nfs/dbraw/zinc/61/08/61/919610861.db2.gz FWRRYXPJSYPDBO-TZIWHRDSSA-N 0 1 380.400 3.611 20 5 GHBDMN Cn1ccnc1[C@H](NC1CCC2(CCOCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000365023196 920310077 /nfs/dbraw/zinc/31/00/77/920310077.db2.gz USAHDJNCLYYRRA-LJQANCHMSA-N 0 1 384.480 3.747 20 5 GHBDMN Cn1cc([C@]2(CN[C@@H](c3ccccc3)c3cccc([N+](=O)[O-])c3)CCCO2)cn1 ZINC000903362449 922961077 /nfs/dbraw/zinc/96/10/77/922961077.db2.gz ZUDDZZREHLSITR-FCHUYYIVSA-N 0 1 392.459 3.713 20 5 GHBDMN O=C(OCc1ccc([N+](=O)[O-])cc1F)c1ccc(-c2nnc(C3CC3)[nH]2)cc1 ZINC000748897201 923903623 /nfs/dbraw/zinc/90/36/23/923903623.db2.gz KAJUEULQZWQIDB-UHFFFAOYSA-N 0 1 382.351 3.753 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1CN1CCC([C@H]2CCCCCN2C(C)=O)CC1 ZINC000373783881 926421682 /nfs/dbraw/zinc/42/16/82/926421682.db2.gz UNOYOKSVZBXDKL-HXUWFJFHSA-N 0 1 389.496 3.607 20 5 GHBDMN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc3c2OCC[C@H]3N(C)C)c1 ZINC000469270363 929751188 /nfs/dbraw/zinc/75/11/88/929751188.db2.gz NTWLTPMSCJXSFD-MRXNPFEDSA-N 0 1 387.461 3.954 20 5 GHBDMN O=[N+]([O-])c1ccc2[nH]cc(-c3nc(Cc4nnc(-c5ccccc5)[nH]4)no3)c2c1 ZINC000546499584 930223883 /nfs/dbraw/zinc/22/38/83/930223883.db2.gz 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CCc1nc(COC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000799624082 933066646 /nfs/dbraw/zinc/06/66/46/933066646.db2.gz VVXAZWIKHRAKHC-UHFFFAOYSA-N 0 1 384.417 3.784 20 5 GHBDMN O=[N+]([O-])c1cc2c(cc1CN1CCC[C@@H](c3nc4ccccc4[nH]3)C1)OCCO2 ZINC001116439957 933558891 /nfs/dbraw/zinc/55/88/91/933558891.db2.gz ZQPUTTYLKSFZQB-CQSZACIVSA-N 0 1 394.431 3.622 20 5 GHBDMN C[C@@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccc(Cl)c(F)c1 ZINC001116479866 933583349 /nfs/dbraw/zinc/58/33/49/933583349.db2.gz NIRDDENZCYZSHT-LLVKDONJSA-N 0 1 377.803 3.627 20 5 GHBDMN CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CCN(C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000561683468 934363825 /nfs/dbraw/zinc/36/38/25/934363825.db2.gz HWWCDNGHGDDLMH-QZTJIDSGSA-N 0 1 385.468 3.518 20 5 GHBDMN O=C([O-])[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1c1ccc(F)cc1F ZINC001119536437 934365703 /nfs/dbraw/zinc/36/57/03/934365703.db2.gz LVPLKZDHIQUOAH-LSDHHAIUSA-N 0 1 396.777 3.827 20 5 GHBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H]1CC2(CCC2)Oc2ccccc21 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NVZFUWBKUHBGIG-UHFFFAOYSA-N 0 1 394.391 3.704 20 5 GHBDMN CN1CCN(c2ncccc2Nc2c(Cl)ccc([N+](=O)[O-])c2Cl)CC1 ZINC001215581077 1029292209 /nfs/dbraw/zinc/29/22/09/1029292209.db2.gz JUZJMQIZKRBARB-UHFFFAOYSA-N 0 1 382.251 3.792 20 5 GHBDMN Cc1cc2cc3ccc(N(C)C)cc3nc2cc1NC1=CCS(=O)(=O)CC1 ZINC001216568669 1029688423 /nfs/dbraw/zinc/68/84/23/1029688423.db2.gz DMMXPXZLXMDRPM-UHFFFAOYSA-N 0 1 381.501 3.877 20 5 GHBDMN COc1cc(-c2nc(-c3ncccc3/C=C/N3CCCC3)no2)cc([N+](=O)[O-])c1 ZINC001216595292 1029695879 /nfs/dbraw/zinc/69/58/79/1029695879.db2.gz GFSFJSRUYDCZDA-UXBLZVDNSA-N 0 1 393.403 3.782 20 5 GHBDMN COC(=O)c1c(CO[C@@H]2CCC[N@H+]([C@@H](C)c3ccccn3)C2)cccc1[N+](=O)[O-] ZINC001223296394 1030514074 /nfs/dbraw/zinc/51/40/74/1030514074.db2.gz ZQEFTJFHXFKRBW-DOTOQJQBSA-N 0 1 399.447 3.519 20 5 GHBDMN COC(=O)c1c(CO[C@@H]2CCCN([C@@H](C)c3ccccn3)C2)cccc1[N+](=O)[O-] ZINC001223296394 1030514083 /nfs/dbraw/zinc/51/40/83/1030514083.db2.gz ZQEFTJFHXFKRBW-DOTOQJQBSA-N 0 1 399.447 3.519 20 5 GHBDMN CC(C)(C)OC(=O)N1CC[C@]2(CCC[C@@H]2Oc2cc(O)ccc2[N+](=O)[O-])C1 ZINC001225488750 1031437594 /nfs/dbraw/zinc/43/75/94/1031437594.db2.gz LCAKVRLAIVCQER-QFBILLFUSA-N 0 1 378.425 3.859 20 5 GHBDMN O=[N+]([O-])c1ccc2ncnc(O[C@@H]3CCCN(Cc4ccccc4F)C3)c2c1 ZINC001226441540 1031961625 /nfs/dbraw/zinc/96/16/25/1031961625.db2.gz RFDIPIALJAPGAY-MRXNPFEDSA-N 0 1 382.395 3.721 20 5 GHBDMN C[C@H](c1ccccn1)N1CCC[C@H](Oc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC001226441512 1031961787 /nfs/dbraw/zinc/96/17/87/1031961787.db2.gz RAANLVQNHRHNGX-ZBFHGGJFSA-N 0 1 379.420 3.537 20 5 GHBDMN COc1c(F)c(F)ccc1-c1noc(-c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)n1 ZINC001213008602 1033596894 /nfs/dbraw/zinc/59/68/94/1033596894.db2.gz SYQNRHWUQBOASF-UHFFFAOYSA-N 0 1 399.313 3.989 20 5 GHBDMN COC(=O)c1ccc(C)c([N+](=O)[O-])c1O[C@@H]1CCCN([C@H](C)c2ccccn2)C1 ZINC001229899609 1033782959 /nfs/dbraw/zinc/78/29/59/1033782959.db2.gz NAHXREFKSLYRCZ-HZPDHXFCSA-N 0 1 399.447 3.689 20 5 GHBDMN CC(C)(C)OC(=O)N1CCC[C@@H](Oc2cc3[nH]ncc3cc2[N+](=O)[O-])CC1 ZINC001230596923 1034139920 /nfs/dbraw/zinc/13/99/20/1034139920.db2.gz XDMOGMRABSQELT-CYBMUJFWSA-N 0 1 376.413 3.640 20 5 GHBDMN CN1CC(CNC(F)(F)c2cnc(Cl)c(-c3cccc([N+](=O)[O-])c3)c2)C1 ZINC001159222160 1034494129 /nfs/dbraw/zinc/49/41/29/1034494129.db2.gz IXZKSMHHGYWRPD-UHFFFAOYSA-N 0 1 382.798 3.511 20 5 GHBDMN Cc1cc(Cl)c(C(=O)N(C)[C@H](c2nnc[nH]2)c2ccccc2)cc1[N+](=O)[O-] ZINC001161211418 1035180808 /nfs/dbraw/zinc/18/08/08/1035180808.db2.gz RZQHSXUGUACKQG-INIZCTEOSA-N 0 1 385.811 3.536 20 5 GHBDMN O=C(Nc1n[nH]c2cnc(Br)cc12)c1cccc(Cl)c1[N+](=O)[O-] ZINC001462203450 1070079883 /nfs/dbraw/zinc/07/98/83/1070079883.db2.gz XWXFPFPWLLXCHV-UHFFFAOYSA-N 0 1 396.588 3.534 20 5 GHBDMN O=[N+]([O-])c1cc(F)cc(F)c1OC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC001233698015 1039545457 /nfs/dbraw/zinc/54/54/57/1039545457.db2.gz DWKCUEXECICVCX-MRXNPFEDSA-N 0 1 378.375 3.543 20 5 GHBDMN CN(C(=O)CN1C[C@H]2CCCC[C@]21c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC001253404227 1039603528 /nfs/dbraw/zinc/60/35/28/1039603528.db2.gz RONQEIVWRKZPSZ-GCJKJVERSA-N 0 1 379.460 3.959 20 5 GHBDMN CN(C(=O)CN1C[C@@H]2CCCC[C@]21c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC001253404226 1039603958 /nfs/dbraw/zinc/60/39/58/1039603958.db2.gz RONQEIVWRKZPSZ-AVRDEDQJSA-N 0 1 379.460 3.959 20 5 GHBDMN Cc1ccc([C@@H](O)[C@@H](C)NCc2cc(Br)c([N+](=O)[O-])s2)cc1 ZINC001462384954 1070217417 /nfs/dbraw/zinc/21/74/17/1070217417.db2.gz XQAPMLHYMVQGTL-YGRLFVJLSA-N 0 1 385.283 3.939 20 5 GHBDMN COC(=O)c1ccc(O[C@H]2CCN(Cc3ccc(Cl)cc3)C2)cc1[N+](=O)[O-] ZINC001234056895 1039790372 /nfs/dbraw/zinc/79/03/72/1039790372.db2.gz HQHXTOIVNYSNGB-INIZCTEOSA-N 0 1 390.823 3.688 20 5 GHBDMN CC(C)(C)[NH+]1CCC(Oc2cc([O-])cc3oc4ccc(O)cc4c(=O)c23)CC1 ZINC001234747275 1040272380 /nfs/dbraw/zinc/27/23/80/1040272380.db2.gz KECRUEKXRMLVSE-UHFFFAOYSA-N 0 1 383.444 3.999 20 5 GHBDMN CCOC[C@H]1CN([C@@H](C)Cc2ccccc2[N+](=O)[O-])Cc2cnn(CC3CC3)c21 ZINC001254556385 1040326866 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CC[C@@H](CS(=O)(=O)c1ccccc1)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181658783 840628611 /nfs/dbraw/zinc/62/86/11/840628611.db2.gz DSFPYHZQNYLOTK-WBVHZDCISA-N 0 1 376.478 3.806 20 5 GHBDMN CCS(=O)(=O)c1cccc(CN[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000417330348 840732163 /nfs/dbraw/zinc/73/21/63/840732163.db2.gz KTEBIJAVFNTHOI-HXUWFJFHSA-N 0 1 388.489 3.946 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000511856634 840967247 /nfs/dbraw/zinc/96/72/47/840967247.db2.gz YUDWKBTXDTVHRM-NLWGTHIKSA-N 0 1 395.459 3.810 20 5 GHBDMN O=C(CCN1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000610614388 841423603 /nfs/dbraw/zinc/42/36/03/841423603.db2.gz QKWFPAJYYCONEL-AOOOYVTPSA-N 0 1 399.291 3.596 20 5 GHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC000600183243 861205857 /nfs/dbraw/zinc/20/58/57/861205857.db2.gz BTWKIPNSBKVJCO-GFCCVEGCSA-N 0 1 386.358 3.769 20 5 GHBDMN O=[N+]([O-])c1ccc2[nH]c(CN3CCCN(Cc4ccc(Cl)cc4)CC3)nc2c1 ZINC000548180221 841507928 /nfs/dbraw/zinc/50/79/28/841507928.db2.gz SONGOWWKUMWSJE-UHFFFAOYSA-N 0 1 399.882 3.832 20 5 GHBDMN CCCN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@@H]1CCc2ccccc2C1 ZINC000108911714 841722687 /nfs/dbraw/zinc/72/26/87/841722687.db2.gz ZVKPZQVHPQWFFB-MRXNPFEDSA-N 0 1 378.432 3.881 20 5 GHBDMN O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1 ZINC000109020903 841767616 /nfs/dbraw/zinc/76/76/16/841767616.db2.gz CDLIRULHZCIYSS-GOSISDBHSA-N 0 1 395.419 3.763 20 5 GHBDMN CS(=O)(=O)c1cc([N+](=O)[O-])c(Sc2nc3ccc(Cl)cc3[nH]2)s1 ZINC000302202940 861239022 /nfs/dbraw/zinc/23/90/22/861239022.db2.gz VWRQPKZWQMFEEK-UHFFFAOYSA-N 0 1 389.867 3.741 20 5 GHBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@@H+](CCCOc1ccccc1)C1CCOCC1 ZINC000549556348 841970240 /nfs/dbraw/zinc/97/02/40/841970240.db2.gz XGYPXJYVXXGIJB-UHFFFAOYSA-N 0 1 386.448 3.751 20 5 GHBDMN COc1ccc([C@H]2CCN(Cc3cc(OC)c(OC)cc3[N+](=O)[O-])C2)cc1F ZINC000600215002 861292176 /nfs/dbraw/zinc/29/21/76/861292176.db2.gz XODDMYUHDFYKRD-AWEZNQCLSA-N 0 1 390.411 3.749 20 5 GHBDMN CO[C@@H](c1ccccc1Cl)[C@H](C)NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000481407762 861298418 /nfs/dbraw/zinc/29/84/18/861298418.db2.gz LXSSNKJRTXGCRC-KPZWWZAWSA-N 0 1 392.839 3.981 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2ccc(CNCc3cccc(N4CCOCC4)c3)o2)cc1 ZINC000555590794 861324552 /nfs/dbraw/zinc/32/45/52/861324552.db2.gz LOQYRPYZFPRMLH-UHFFFAOYSA-N 0 1 393.443 3.981 20 5 GHBDMN C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000603908583 861371708 /nfs/dbraw/zinc/37/17/08/861371708.db2.gz XJTKMNQVVOMDGE-IYBDPMFKSA-N 0 1 397.475 3.708 20 5 GHBDMN O=[N+]([O-])c1cccc(F)c1CN1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000500439534 843148276 /nfs/dbraw/zinc/14/82/76/843148276.db2.gz UNCPXYCTNGBJGP-JLTOFOAXSA-N 0 1 386.427 3.623 20 5 GHBDMN O=C(NCCc1cccc(Cl)c1Cl)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000603920749 861401594 /nfs/dbraw/zinc/40/15/94/861401594.db2.gz MBRXYIOFHSDFSS-UHFFFAOYSA-N 0 1 379.203 3.750 20 5 GHBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@H](c3ccc(OC)c(F)c3)C2)c1 ZINC000599675817 861474117 /nfs/dbraw/zinc/47/41/17/861474117.db2.gz PNZCYHQIQYWCFX-HNNXBMFYSA-N 0 1 388.395 3.519 20 5 GHBDMN CC[C@H](NCc1ccc(S(C)(=O)=O)c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000277136665 844718347 /nfs/dbraw/zinc/71/83/47/844718347.db2.gz OYLRNJVXUFGHSZ-INIZCTEOSA-N 0 1 382.869 3.893 20 5 GHBDMN Cc1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1[N+](=O)[O-] ZINC000178690477 844851075 /nfs/dbraw/zinc/85/10/75/844851075.db2.gz NTNSYJJPPIFZQL-KGLIPLIRSA-N 0 1 386.408 3.798 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N2CCC(OC3CCC(C)CC3)CC2)c1[N+](=O)[O-] ZINC000433764066 845325023 /nfs/dbraw/zinc/32/50/23/845325023.db2.gz GANOQKMFRIDAKI-UHFFFAOYSA-N 0 1 378.473 3.641 20 5 GHBDMN CCc1[nH]nc(C(=O)N(Cc2cc(F)ccc2F)C2CCCC2)c1[N+](=O)[O-] ZINC000185814448 861559567 /nfs/dbraw/zinc/55/95/67/861559567.db2.gz IIVRAVBKRBYLPF-UHFFFAOYSA-N 0 1 378.379 3.744 20 5 GHBDMN CC1(C)C[C@@H](NCc2cccc(C(=O)NC3CC3)c2)c2cc([N+](=O)[O-])ccc21 ZINC000433144118 845510384 /nfs/dbraw/zinc/51/03/84/845510384.db2.gz BCANNNMTXNSDGM-HXUWFJFHSA-N 0 1 379.460 3.999 20 5 GHBDMN CC1(C)C[C@H](N[C@@H](CN2CCOCC2)c2ccccc2)c2cc([N+](=O)[O-])ccc21 ZINC000433168174 845580534 /nfs/dbraw/zinc/58/05/34/845580534.db2.gz LPHLERAPZIINEF-VXKWHMMOSA-N 0 1 395.503 3.980 20 5 GHBDMN COc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2C)N2CCCCC2)cc1 ZINC000511066225 846231480 /nfs/dbraw/zinc/23/14/80/846231480.db2.gz WDUMYLJROHLFLQ-NRFANRHFSA-N 0 1 397.475 3.869 20 5 GHBDMN CC[C@@H](CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1ccc(OC)cc1 ZINC000503032882 846733242 /nfs/dbraw/zinc/73/32/42/846733242.db2.gz VIMRGZKIBBIRRJ-ZDUSSCGKSA-N 0 1 395.419 3.911 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 ZINC000135518253 846802237 /nfs/dbraw/zinc/80/22/37/846802237.db2.gz VDNKVCURDXEKJW-UHFFFAOYSA-N 0 1 382.348 3.518 20 5 GHBDMN C[C@H]1CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)[C@@H](C)CN1Cc1ccccc1 ZINC000501616975 847060232 /nfs/dbraw/zinc/06/02/32/847060232.db2.gz LKMPUOQEPJBJJO-HOTGVXAUSA-N 0 1 392.459 3.811 20 5 GHBDMN Cc1ccc([C@@H](C)N[C@@H](C)c2cc(S(N)(=O)=O)c(C)cc2C)cc1[N+](=O)[O-] ZINC000479410179 847634310 /nfs/dbraw/zinc/63/43/10/847634310.db2.gz RAOKFEKUZBWJHN-CABCVRRESA-N 0 1 391.493 3.579 20 5 GHBDMN C[C@@H]1C[C@]1(NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccc(Cl)cc1 ZINC000503373861 847649750 /nfs/dbraw/zinc/64/97/50/847649750.db2.gz FTTPWGHEVAGQAW-ZUOKHONESA-N 0 1 385.851 3.662 20 5 GHBDMN CCN(CCc1nccs1)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000159354310 847654144 /nfs/dbraw/zinc/65/41/44/847654144.db2.gz ZBTKZUGOTZDCHV-UHFFFAOYSA-N 0 1 387.408 3.726 20 5 GHBDMN CCc1nc(NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)n[nH]1 ZINC000479700417 847816028 /nfs/dbraw/zinc/81/60/28/847816028.db2.gz OBZSEOPPVAELEQ-UHFFFAOYSA-N 0 1 387.783 3.973 20 5 GHBDMN CCc1n[nH]c(NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)n1 ZINC000479700417 847816034 /nfs/dbraw/zinc/81/60/34/847816034.db2.gz OBZSEOPPVAELEQ-UHFFFAOYSA-N 0 1 387.783 3.973 20 5 GHBDMN O=C(CCc1cccc([N+](=O)[O-])c1)Nc1cccc(CN2CCSCC2)c1 ZINC000129376563 847824110 /nfs/dbraw/zinc/82/41/10/847824110.db2.gz ODNAHXWJFJUBFK-UHFFFAOYSA-N 0 1 385.489 3.715 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CC[C@@H](c2ccccc2)[C@H]1C ZINC000434907290 849889140 /nfs/dbraw/zinc/88/91/40/849889140.db2.gz WRYIJTVQRJQFTQ-RVKKMQEKSA-N 0 1 383.448 3.808 20 5 GHBDMN CCCNC(=O)C1(NCc2cc([N+](=O)[O-])ccc2C(F)(F)F)CCCCC1 ZINC000514681106 850132872 /nfs/dbraw/zinc/13/28/72/850132872.db2.gz PIVJLKXKOBNOHH-UHFFFAOYSA-N 0 1 387.402 3.932 20 5 GHBDMN CC[C@H](N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(OC)c(OC)c1 ZINC000506639310 850230864 /nfs/dbraw/zinc/23/08/64/850230864.db2.gz IZXZBDDXIUVWDT-GUYCJALGSA-N 0 1 387.436 3.680 20 5 GHBDMN CC1=CCN(CCNC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)CC1 ZINC000506656050 850296024 /nfs/dbraw/zinc/29/60/24/850296024.db2.gz WTUGGLKGIARSKQ-UHFFFAOYSA-N 0 1 377.510 3.725 20 5 GHBDMN CN1CC[C@H](NCc2c(F)cc([N+](=O)[O-])cc2F)[C@@H]1c1ccc(F)c(F)c1 ZINC000519036319 850534023 /nfs/dbraw/zinc/53/40/23/850534023.db2.gz UDHCQAHTSMOMIA-ROUUACIJSA-N 0 1 383.345 3.686 20 5 GHBDMN CC(C)Oc1ccc(NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c(Cl)c1 ZINC000436147801 851261815 /nfs/dbraw/zinc/26/18/15/851261815.db2.gz AVXGOCDWXMXLCW-UHFFFAOYSA-N 0 1 388.804 3.975 20 5 GHBDMN O=C(NCc1ccccc1OCc1ccccc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000505782755 851390868 /nfs/dbraw/zinc/39/08/68/851390868.db2.gz OOAIWHSZPRVSIF-UHFFFAOYSA-N 0 1 378.384 3.809 20 5 GHBDMN COc1cc(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)ccc1OC1CCCC1 ZINC000505784587 851408725 /nfs/dbraw/zinc/40/87/25/851408725.db2.gz XZAIIJAUZIHRHI-UHFFFAOYSA-N 0 1 386.404 3.560 20 5 GHBDMN CC(=O)c1ccc(O)c(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000436678359 852186575 /nfs/dbraw/zinc/18/65/75/852186575.db2.gz GNOSNJYGEDWCHH-UHFFFAOYSA-N 0 1 383.385 3.879 20 5 GHBDMN CC(C)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)CCN1C ZINC000489310745 852209914 /nfs/dbraw/zinc/20/99/14/852209914.db2.gz DHYNYQNXOULNPS-OAQYLSRUSA-N 0 1 396.491 3.619 20 5 GHBDMN CC(C)CCSc1ccc(C(=O)N(C)[C@@H]2CN3CCC2CC3)cc1[N+](=O)[O-] ZINC000517699664 852286124 /nfs/dbraw/zinc/28/61/24/852286124.db2.gz SFXGNFHSOSJAIX-GOSISDBHSA-N 0 1 391.537 3.899 20 5 GHBDMN C[C@@H](NC(=O)CCOc1ccccc1[N+](=O)[O-])c1nc2ccc(Cl)cc2[nH]1 ZINC000732541367 862342186 /nfs/dbraw/zinc/34/21/86/862342186.db2.gz LBKYAMUFWKYOFC-LLVKDONJSA-N 0 1 388.811 3.771 20 5 GHBDMN Cc1cc(Br)cc2c1CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)CC2 ZINC000507336448 852784917 /nfs/dbraw/zinc/78/49/17/852784917.db2.gz LVTMINZVXLDDJV-UHFFFAOYSA-N 0 1 391.221 3.570 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)CCc1cccc2ccccc21 ZINC000507320240 852788632 /nfs/dbraw/zinc/78/86/32/852788632.db2.gz QWJRLLAHQLGUIC-UHFFFAOYSA-N 0 1 393.443 3.870 20 5 GHBDMN O=C(CCc1cc2ccccc2o1)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000490371187 852970079 /nfs/dbraw/zinc/97/00/79/852970079.db2.gz QZACWIZHSLLRQS-UHFFFAOYSA-N 0 1 377.360 3.697 20 5 GHBDMN Cc1ccc(NC(=O)[C@H](c2ccccc2)N(C)[C@@H]2CCCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000426201693 853006539 /nfs/dbraw/zinc/00/65/39/853006539.db2.gz QDXKVLHYQSVFIB-NRSPTQNISA-N 0 1 397.475 3.818 20 5 GHBDMN O=C(Nc1cccc(C[S@@](=O)c2ccccc2)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000506476020 853230857 /nfs/dbraw/zinc/23/08/57/853230857.db2.gz ZVCOBUBXGXZTPL-MUUNZHRXSA-N 0 1 396.424 3.861 20 5 GHBDMN C[C@H]1CCC[N@@H+](Cc2ccccc2CNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000519699678 853382671 /nfs/dbraw/zinc/38/26/71/853382671.db2.gz DGNJKXLJBDRAHL-AWEZNQCLSA-N 0 1 384.436 3.532 20 5 GHBDMN Cc1ccc(-c2cc(-c3nc(Cc4ccc([N+](=O)[O-])cn4)no3)[nH]n2)cc1C ZINC000519792272 853475560 /nfs/dbraw/zinc/47/55/60/853475560.db2.gz PQTWEBISAAIYKR-UHFFFAOYSA-N 0 1 376.376 3.638 20 5 GHBDMN CCN(C(=O)c1cc(F)c([N+](=O)[O-])cc1F)[C@H]1CCN(Cc2ccccc2)C1 ZINC000129555193 853636676 /nfs/dbraw/zinc/63/66/76/853636676.db2.gz ZMDKYMSRAKYBCA-HNNXBMFYSA-N 0 1 389.402 3.610 20 5 GHBDMN CSCCCN(C)[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000439499315 853725451 /nfs/dbraw/zinc/72/54/51/853725451.db2.gz ZPIXBDKSWKVTNO-LBPRGKRZSA-N 0 1 394.522 3.730 20 5 GHBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN(CCCO)[C@@H]2CCCc3ccccc32)c1 ZINC000589503482 854912141 /nfs/dbraw/zinc/91/21/41/854912141.db2.gz RWWOKTZDKIJAHF-OAQYLSRUSA-N 0 1 398.459 3.643 20 5 GHBDMN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(C2CCCCC2)CC1 ZINC000482057862 862659545 /nfs/dbraw/zinc/65/95/45/862659545.db2.gz ZECVMMHIGPXQPX-OAHLLOKOSA-N 0 1 377.510 3.552 20 5 GHBDMN Cc1ccc2nc([C@@H]3CCCN(CC(=O)Nc4ccccc4[N+](=O)[O-])C3)[nH]c2c1 ZINC000130873267 855327003 /nfs/dbraw/zinc/32/70/03/855327003.db2.gz VFSFBXCABLDLHP-OAHLLOKOSA-N 0 1 393.447 3.598 20 5 GHBDMN CN(CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273409088 855349950 /nfs/dbraw/zinc/34/99/50/855349950.db2.gz HZTVDBUSJVJUIO-LPHOPBHVSA-N 0 1 387.411 3.525 20 5 GHBDMN Cc1ccc([C@@H](CNC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)N2CCCC2)o1 ZINC000171227305 856047016 /nfs/dbraw/zinc/04/70/16/856047016.db2.gz NTZHTVLCEPUBRU-CRAIPNDOSA-N 0 1 386.452 3.694 20 5 GHBDMN O=C(Nc1ccc2nc(-c3ccccn3)[nH]c2c1)c1ccc([N+](=O)[O-])cc1F ZINC000172177027 856361514 /nfs/dbraw/zinc/36/15/14/856361514.db2.gz TWGHLHNRAWFRMO-UHFFFAOYSA-N 0 1 377.335 3.925 20 5 GHBDMN CN(C)[C@H](CNC(=O)c1csc([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC000184838965 856455138 /nfs/dbraw/zinc/45/51/38/856455138.db2.gz AMDBEJZKEPDBMI-CYBMUJFWSA-N 0 1 387.383 3.708 20 5 GHBDMN COc1ccccc1[C@@H](CNC(=O)c1cc(C)ccc1[N+](=O)[O-])N1CCCCC1 ZINC000173155992 856773847 /nfs/dbraw/zinc/77/38/47/856773847.db2.gz YYELHGDHIPOHSY-HXUWFJFHSA-N 0 1 397.475 3.869 20 5 GHBDMN Cc1ccc(NC(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000159600342 862852782 /nfs/dbraw/zinc/85/27/82/862852782.db2.gz OIQAVSKFFPLAQH-HNNXBMFYSA-N 0 1 383.452 3.645 20 5 GHBDMN Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000428019322 857000339 /nfs/dbraw/zinc/00/03/39/857000339.db2.gz DBCMOTCMHWTOPB-CYBMUJFWSA-N 0 1 389.839 3.519 20 5 GHBDMN Cc1ccc([C@H](CNc2ncc(Br)cc2[N+](=O)[O-])N2CCCC2)o1 ZINC000301680021 857052257 /nfs/dbraw/zinc/05/22/57/857052257.db2.gz JFLUGJSBDLGEAT-AWEZNQCLSA-N 0 1 395.257 3.903 20 5 GHBDMN C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000441826488 857139379 /nfs/dbraw/zinc/13/93/79/857139379.db2.gz RJPKTLUDPYZLSL-BRWVUGGUSA-N 0 1 389.496 3.616 20 5 GHBDMN CCc1cc(CNCc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)[nH]n1 ZINC000733900918 862876959 /nfs/dbraw/zinc/87/69/59/862876959.db2.gz PREZSUUQXKXXKH-UHFFFAOYSA-N 0 1 396.447 3.758 20 5 GHBDMN CCc1cc(CNCc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)n[nH]1 ZINC000733900918 862876982 /nfs/dbraw/zinc/87/69/82/862876982.db2.gz PREZSUUQXKXXKH-UHFFFAOYSA-N 0 1 396.447 3.758 20 5 GHBDMN O=C(Nc1cccc(-c2noc(C(F)(F)F)n2)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000428205797 857204253 /nfs/dbraw/zinc/20/42/53/857204253.db2.gz IVZWKFFBQJGNKD-UHFFFAOYSA-N 0 1 394.265 3.622 20 5 GHBDMN O=C(NCc1cc(Cl)ccc1OC(F)F)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000499540410 857332135 /nfs/dbraw/zinc/33/21/35/857332135.db2.gz ADUQSPYLGLFALU-UHFFFAOYSA-N 0 1 396.737 3.656 20 5 GHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(-c3cn4c(n3)CCCC4)c2)cc1 ZINC000108639460 857342286 /nfs/dbraw/zinc/34/22/86/857342286.db2.gz WIKMBQLZRNTNPF-UHFFFAOYSA-N 0 1 398.444 3.595 20 5 GHBDMN CN(CCCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)CC(F)(F)F ZINC000113322071 857429356 /nfs/dbraw/zinc/42/93/56/857429356.db2.gz TZSPDFWELLJQFI-UHFFFAOYSA-N 0 1 388.415 3.692 20 5 GHBDMN CC(C)Oc1ccc([C@H](C)N[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000520993129 857491525 /nfs/dbraw/zinc/49/15/25/857491525.db2.gz AEKNCVHSWNMXJS-YWZLYKJASA-N 0 1 383.448 3.838 20 5 GHBDMN O=C(Nc1ccccc1O)C1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255137294 857521988 /nfs/dbraw/zinc/52/19/88/857521988.db2.gz SLFBPBNNGFUOJI-ALCCZGGFSA-N 0 1 381.432 3.664 20 5 GHBDMN C[C@H]1CN(Cc2ccccc2CNc2ncc(Cl)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000301750791 857559385 /nfs/dbraw/zinc/55/93/85/857559385.db2.gz UNMNBAFYLLJADV-KBPBESRZSA-N 0 1 390.871 3.865 20 5 GHBDMN Cc1cccc([C@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)c2ccccn2)c1 ZINC000159721003 862960444 /nfs/dbraw/zinc/96/04/44/862960444.db2.gz ZDGKBOSJRVKBIJ-IBGZPJMESA-N 0 1 387.399 3.694 20 5 GHBDMN CSc1ccc(C(=O)N2CCCN(Cc3ccccc3C)CC2)cc1[N+](=O)[O-] ZINC000027387326 857963230 /nfs/dbraw/zinc/96/32/30/857963230.db2.gz NPQYRHXEGJWETM-UHFFFAOYSA-N 0 1 399.516 3.973 20 5 GHBDMN C[C@@H]1Cc2ccccc2N1CCNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000521833653 858344250 /nfs/dbraw/zinc/34/42/50/858344250.db2.gz CKGXAWOLRVENQR-CYBMUJFWSA-N 0 1 377.391 3.737 20 5 GHBDMN C[C@H]1Cc2ccccc2N1CCNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000521833654 858344953 /nfs/dbraw/zinc/34/49/53/858344953.db2.gz CKGXAWOLRVENQR-ZDUSSCGKSA-N 0 1 377.391 3.737 20 5 GHBDMN Cc1ccc(-c2n[nH]c(S[C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)n2)cc1 ZINC000067428671 858564921 /nfs/dbraw/zinc/56/49/21/858564921.db2.gz MCLGXZFIEMTJDQ-INIZCTEOSA-N 0 1 395.444 3.586 20 5 GHBDMN COc1cc(CN(C)CCc2ccccc2)c([N+](=O)[O-])cc1OCC(F)F ZINC000491205429 858595430 /nfs/dbraw/zinc/59/54/30/858595430.db2.gz OGSKDJCUOYZLMP-UHFFFAOYSA-N 0 1 380.391 3.922 20 5 GHBDMN O=C(Nc1ccc2nc(Cc3ccccc3F)[nH]c2c1)c1ccc([N+](=O)[O-])[nH]1 ZINC000522181156 858741864 /nfs/dbraw/zinc/74/18/64/858741864.db2.gz YNGZGORTLORHRX-UHFFFAOYSA-N 0 1 379.351 3.781 20 5 GHBDMN COc1cccc(-c2nc(CN[C@H](C)Cc3ccc(OC)cc3[N+](=O)[O-])co2)c1 ZINC001170325905 881361747 /nfs/dbraw/zinc/36/17/47/881361747.db2.gz BWCPZKLRZSMRAF-CQSZACIVSA-N 0 1 397.431 3.988 20 5 GHBDMN COc1ccc(C[C@@H](C)N[C@@H](c2ccccc2)c2cccnn2)c([N+](=O)[O-])c1 ZINC001170326301 881363192 /nfs/dbraw/zinc/36/31/92/881363192.db2.gz GQXVOEUXSQXPSS-VFNWGFHPSA-N 0 1 378.432 3.704 20 5 GHBDMN O=[N+]([O-])c1ccc(O)cc1CS(=O)(=O)Cc1csc(C2CCCC2)n1 ZINC000593203553 858952248 /nfs/dbraw/zinc/95/22/48/858952248.db2.gz ORVJVHUBVYJDMX-UHFFFAOYSA-N 0 1 382.463 3.530 20 5 GHBDMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000248557586 859184371 /nfs/dbraw/zinc/18/43/71/859184371.db2.gz LYAULXUTPQPDOF-JQFCIGGWSA-N 0 1 385.420 3.510 20 5 GHBDMN Cc1cc(S(=O)(=O)Nc2ccccc2N2CCCCC2)ccc1[N+](=O)[O-] ZINC000522361997 859202261 /nfs/dbraw/zinc/20/22/61/859202261.db2.gz TUUJFZKBXKLTAJ-UHFFFAOYSA-N 0 1 375.450 3.694 20 5 GHBDMN COc1cc(CN2CC[C@@H]3COC[C@H]3C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000597231659 859365259 /nfs/dbraw/zinc/36/52/59/859365259.db2.gz PFTJSMJJCTXCFZ-IEBWSBKVSA-N 0 1 398.459 3.651 20 5 GHBDMN O=[N+]([O-])c1ccc2c(c1)CN(CCc1nc(-c3cccc(Cl)c3)no1)CC2 ZINC000131274656 859444894 /nfs/dbraw/zinc/44/48/94/859444894.db2.gz OPCOUWQEVXTYQU-UHFFFAOYSA-N 0 1 384.823 3.899 20 5 GHBDMN COc1ccc(NC(=O)CN(Cc2ccc(F)cc2)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000474182950 859572399 /nfs/dbraw/zinc/57/23/99/859572399.db2.gz FRECFWTTZSDRJD-UHFFFAOYSA-N 0 1 389.427 3.982 20 5 GHBDMN COc1cc(S(=O)(=O)Nc2ccc(F)c(C(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000124747872 859631656 /nfs/dbraw/zinc/63/16/56/859631656.db2.gz DSSJXCLKSOCHNQ-UHFFFAOYSA-N 0 1 394.302 3.562 20 5 GHBDMN CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CO1 ZINC000597931713 859941507 /nfs/dbraw/zinc/94/15/07/859941507.db2.gz UWCLLJSHKNVQKM-MRXNPFEDSA-N 0 1 394.431 3.681 20 5 GHBDMN COCCCOC1CCN(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602479174 860048914 /nfs/dbraw/zinc/04/89/14/860048914.db2.gz YEMVEUJINDHIJN-UHFFFAOYSA-N 0 1 376.375 3.631 20 5 GHBDMN O=C(Nc1cc(F)cc(Cl)c1O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000474440054 860103441 /nfs/dbraw/zinc/10/34/41/860103441.db2.gz PZIMFVIETMMSAS-UHFFFAOYSA-N 0 1 376.731 3.531 20 5 GHBDMN Cc1ccc(CN2CCC(c3nc(-c4ccccn4)no3)CC2)cc1[N+](=O)[O-] ZINC000092709128 860109476 /nfs/dbraw/zinc/10/94/76/860109476.db2.gz JGBSZOQTCGGBCP-UHFFFAOYSA-N 0 1 379.420 3.728 20 5 GHBDMN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H](c1csc2ccccc21)c1cccnc1 ZINC000840341111 860131552 /nfs/dbraw/zinc/13/15/52/860131552.db2.gz LTPOJZQBANHGLY-SZVBFZGTSA-N 0 1 381.457 3.899 20 5 GHBDMN C[C@@H]1[C@@H](C)N(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)CCN1C ZINC000542664527 860459429 /nfs/dbraw/zinc/45/94/29/860459429.db2.gz ZPRHNAWLKBWGMJ-HUUCEWRRSA-N 0 1 384.436 3.943 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2cc(-c3nc(COc4cccc(F)c4)no3)[nH]n2)cc1 ZINC000904720438 860565344 /nfs/dbraw/zinc/56/53/44/860565344.db2.gz KCAWPSDUGILNPI-UHFFFAOYSA-N 0 1 381.323 3.753 20 5 GHBDMN Cc1nn(C[N@@H+](CCc2ccccc2)[C@@H]2CCOC2)c2cc([N+](=O)[O-])ccc12 ZINC000761293080 860649079 /nfs/dbraw/zinc/64/90/79/860649079.db2.gz PRPLHCGVFHVKCM-LJQANCHMSA-N 0 1 380.448 3.544 20 5 GHBDMN Cc1nn(CN(CCc2ccccc2)[C@@H]2CCOC2)c2cc([N+](=O)[O-])ccc12 ZINC000761293080 860649081 /nfs/dbraw/zinc/64/90/81/860649081.db2.gz PRPLHCGVFHVKCM-LJQANCHMSA-N 0 1 380.448 3.544 20 5 GHBDMN C[C@H](N[C@@H](C)c1ccc(OC(F)F)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000125393607 860656661 /nfs/dbraw/zinc/65/66/61/860656661.db2.gz VABZLHQYOOBKNN-RYUDHWBXSA-N 0 1 379.363 3.874 20 5 GHBDMN CN(C)[C@H](CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cccs1 ZINC000173082584 860718744 /nfs/dbraw/zinc/71/87/44/860718744.db2.gz PLFMTANOTMMJDU-CYBMUJFWSA-N 0 1 387.383 3.708 20 5 GHBDMN COc1ccc(OC)c([C@H]2CCC[N@@H+]2Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])c1 ZINC000593729510 861093117 /nfs/dbraw/zinc/09/31/17/861093117.db2.gz BGZJDNXFORKZDA-GOSISDBHSA-N 0 1 386.404 3.647 20 5 GHBDMN COc1ccc(OC)c([C@H]2CCC[N@H+]2Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])c1 ZINC000593729510 861093131 /nfs/dbraw/zinc/09/31/31/861093131.db2.gz BGZJDNXFORKZDA-GOSISDBHSA-N 0 1 386.404 3.647 20 5 GHBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC000593747764 861163674 /nfs/dbraw/zinc/16/36/74/861163674.db2.gz BYULBROBZSVVBG-NRFANRHFSA-N 0 1 384.432 3.610 20 5 GHBDMN CO[C@H](c1ccccc1Cl)[C@@H](C)NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000481357655 861181147 /nfs/dbraw/zinc/18/11/47/861181147.db2.gz FVIAGXXRZUUOGB-XIKOKIGWSA-N 0 1 377.828 3.553 20 5 GHBDMN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(C)CC12CCCCC2 ZINC000467471125 863120243 /nfs/dbraw/zinc/12/02/43/863120243.db2.gz DLYYJNWKAVEMHG-OAHLLOKOSA-N 0 1 377.510 3.552 20 5 GHBDMN CCc1[nH]nc(C(=O)N(CC)[C@@H](c2ccc(C)cc2)c2cccnc2)c1[N+](=O)[O-] ZINC000444269196 863789971 /nfs/dbraw/zinc/78/99/71/863789971.db2.gz NVDAIORNHTVFKP-IBGZPJMESA-N 0 1 393.447 3.835 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(Cl)ccc1N1CCN(C)CC1 ZINC000522994484 863895622 /nfs/dbraw/zinc/89/56/22/863895622.db2.gz IQYWHEDNJCHUOH-UHFFFAOYSA-N 0 1 388.855 3.561 20 5 GHBDMN CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792874753 881764234 /nfs/dbraw/zinc/76/42/34/881764234.db2.gz XZXVKDSITDZTFX-SFHVURJKSA-N 0 1 396.444 3.532 20 5 GHBDMN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475306954 864746849 /nfs/dbraw/zinc/74/68/49/864746849.db2.gz WUCMFCKRTWNLRV-VQIMIIECSA-N 0 1 399.516 3.808 20 5 GHBDMN CCCN1CCN(c2ccc(Nc3ccc([N+](=O)[O-])nc3)cc2Cl)CC1 ZINC000735487181 864811467 /nfs/dbraw/zinc/81/14/67/864811467.db2.gz RKNAZXDJXWLNMZ-UHFFFAOYSA-N 0 1 375.860 3.919 20 5 GHBDMN O=[N+]([O-])c1ccc2[nH]cc(CCN[C@@H](c3ncc[nH]3)c3ccc(F)cc3)c2c1 ZINC000554741264 864815374 /nfs/dbraw/zinc/81/53/74/864815374.db2.gz MKBHDMZIHGTHLY-LJQANCHMSA-N 0 1 379.395 3.860 20 5 GHBDMN COC(=O)[C@H](Cc1ccccc1)[C@H](C)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000792937782 881830200 /nfs/dbraw/zinc/83/02/00/881830200.db2.gz YYVFYEHKSTZBNN-SUMWQHHRSA-N 0 1 376.840 3.758 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2noc(CN3CC[C@H](Cc4ccc(F)cc4)C3)n2)cc1 ZINC000121293274 865274751 /nfs/dbraw/zinc/27/47/51/865274751.db2.gz ZBDWRJNWPMZXJD-OAHLLOKOSA-N 0 1 382.395 3.849 20 5 GHBDMN Cc1ccc(NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])c(F)c1 ZINC000609027098 865904853 /nfs/dbraw/zinc/90/48/53/865904853.db2.gz LGMLWVWADCRQJG-UHFFFAOYSA-N 0 1 389.202 3.606 20 5 GHBDMN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC(=Cc2cccc(F)c2)CC1 ZINC000575401505 866136167 /nfs/dbraw/zinc/13/61/67/866136167.db2.gz HUPYROIONNJLHX-LJQANCHMSA-N 0 1 386.423 3.653 20 5 GHBDMN COC(=O)COc1ccc(CN(C)Cc2ccc3ccccc3c2)cc1[N+](=O)[O-] ZINC000475547272 866233678 /nfs/dbraw/zinc/23/36/78/866233678.db2.gz GVFFGOXOJISRNA-UHFFFAOYSA-N 0 1 394.427 3.932 20 5 GHBDMN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@H](C)N1CCc2ccccc2C1 ZINC000475560518 866287488 /nfs/dbraw/zinc/28/74/88/866287488.db2.gz UVUWQOVUMQEDKZ-INIZCTEOSA-N 0 1 382.464 3.780 20 5 GHBDMN CCOC(=O)C[C@@](C)(NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C(C)C ZINC000186697684 866696064 /nfs/dbraw/zinc/69/60/64/866696064.db2.gz STUGSGOVMGZYDA-LJQANCHMSA-N 0 1 375.425 3.707 20 5 GHBDMN CCOc1ccc([C@@H](C)N[C@H](CN2CCOCC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000152670987 866849344 /nfs/dbraw/zinc/84/93/44/866849344.db2.gz WSQXDVJQYXGRCZ-YLJYHZDGSA-N 0 1 399.491 3.718 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)Cc1cc(Cl)ccc1F ZINC000444702351 867088904 /nfs/dbraw/zinc/08/89/04/867088904.db2.gz IWEHQJIHOLFNHX-UHFFFAOYSA-N 0 1 395.818 3.857 20 5 GHBDMN Cc1ccccc1[C@H](CC(F)(F)F)NC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000444779564 867183946 /nfs/dbraw/zinc/18/39/46/867183946.db2.gz CFHVPTOPPQRMOE-YJBOKZPZSA-N 0 1 398.381 3.926 20 5 GHBDMN CCOc1cc(CN2CCC(CO)(Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000444780893 867185938 /nfs/dbraw/zinc/18/59/38/867185938.db2.gz GJFOMNJORZIWGE-UHFFFAOYSA-N 0 1 384.476 3.811 20 5 GHBDMN CCOc1ccc([N+](=O)[O-])cc1CN1CCC(CO)(Cc2ccccc2)CC1 ZINC000444775292 867219109 /nfs/dbraw/zinc/21/91/09/867219109.db2.gz MTFQLIOGQYQONY-UHFFFAOYSA-N 0 1 384.476 3.811 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N2CCC(Cc3c(F)cccc3F)CC2)c1[N+](=O)[O-] ZINC000456833585 867224928 /nfs/dbraw/zinc/22/49/28/867224928.db2.gz WNCDSHFMHWZZNZ-UHFFFAOYSA-N 0 1 392.406 3.814 20 5 GHBDMN CN(C(=O)c1c[nH]c2cccc([N+](=O)[O-])c21)C1CCN(CCC(F)(F)F)CC1 ZINC000457089250 867642107 /nfs/dbraw/zinc/64/21/07/867642107.db2.gz SSKSLLPHGPAFMY-UHFFFAOYSA-N 0 1 398.385 3.565 20 5 GHBDMN COc1cc2c(cc1F)nccc2N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000479373977 867647471 /nfs/dbraw/zinc/64/74/71/867647471.db2.gz HDLBUSLCBSWLNQ-UHFFFAOYSA-N 0 1 382.395 3.617 20 5 GHBDMN Cc1ccc(CCN(C[C@H]2CCCO2)Cn2ncc3cc([N+](=O)[O-])ccc32)cc1 ZINC000743389957 868146128 /nfs/dbraw/zinc/14/61/28/868146128.db2.gz YLIBENUZTONPDR-OAQYLSRUSA-N 0 1 394.475 3.934 20 5 GHBDMN O=[N+]([O-])c1ccc(N2CCN(CCCCCCCO)CC2)c(C(F)(F)F)c1 ZINC000743845475 868459991 /nfs/dbraw/zinc/45/99/91/868459991.db2.gz CXUXTOVLZRJMDP-UHFFFAOYSA-N 0 1 389.418 3.678 20 5 GHBDMN CC(C)(C(=O)NC[C@@H](c1cccs1)N1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000524143720 868595112 /nfs/dbraw/zinc/59/51/12/868595112.db2.gz PXPQMZFEFHJKCI-KRWDZBQOSA-N 0 1 387.505 3.887 20 5 GHBDMN Cc1ccccc1CN1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000535525688 868903437 /nfs/dbraw/zinc/90/34/37/868903437.db2.gz WDRWQVJHGMLBLL-UHFFFAOYSA-N 0 1 392.459 3.876 20 5 GHBDMN COc1ccc(OCCOC(=O)c2[nH]c(-c3ccccc3)nc2C)c([N+](=O)[O-])c1 ZINC000744751952 869050001 /nfs/dbraw/zinc/05/00/01/869050001.db2.gz KDJBOFQLNNFXGG-UHFFFAOYSA-N 0 1 397.387 3.538 20 5 GHBDMN Cc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c3ncccc23)cc1Cl ZINC000462384307 869351022 /nfs/dbraw/zinc/35/10/22/869351022.db2.gz OJVQPTWENCLHLF-UHFFFAOYSA-N 0 1 377.809 3.906 20 5 GHBDMN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCCc1cn[nH]c1C ZINC000539722449 869670313 /nfs/dbraw/zinc/67/03/13/869670313.db2.gz NGKYYPMBOYMERF-UHFFFAOYSA-N 0 1 376.482 3.881 20 5 GHBDMN C[C@@H]1CN(C)CCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000539827785 869860041 /nfs/dbraw/zinc/86/00/41/869860041.db2.gz AWDOKBWKFACWQY-GFCCVEGCSA-N 0 1 394.269 3.753 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2ccc(CN3CCC([C@H](O)C(F)(F)F)CC3)o2)c1 ZINC000539852075 869919339 /nfs/dbraw/zinc/91/93/39/869919339.db2.gz LQRSUJKYOPUUGG-KRWDZBQOSA-N 0 1 384.354 3.990 20 5 GHBDMN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(CN(C)C)c(F)c1 ZINC000462778418 870052591 /nfs/dbraw/zinc/05/25/91/870052591.db2.gz VQSUIYJVASGJFL-KRWDZBQOSA-N 0 1 387.455 3.681 20 5 GHBDMN Cc1c(CN2CCSCC2)cccc1NC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000747136854 882370591 /nfs/dbraw/zinc/37/05/91/882370591.db2.gz NAMWDFQRDQNEPS-UHFFFAOYSA-N 0 1 389.452 3.843 20 5 GHBDMN O=C(NCCc1cccc([N+](=O)[O-])c1)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000540083018 870408316 /nfs/dbraw/zinc/40/83/16/870408316.db2.gz HRDFMFOUGXDQAW-UHFFFAOYSA-N 0 1 375.335 3.773 20 5 GHBDMN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1c(C2CC2)n[nH]c1-c1cccc(F)c1 ZINC001299205880 870606489 /nfs/dbraw/zinc/60/64/89/870606489.db2.gz ZZEDWBLZUOXELU-UHFFFAOYSA-N 0 1 398.398 3.535 20 5 GHBDMN COc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1F ZINC000181332656 870827233 /nfs/dbraw/zinc/82/72/33/870827233.db2.gz AXAMPTOFRHMJHY-UHFFFAOYSA-N 0 1 394.302 3.562 20 5 GHBDMN Cc1cc(NCc2cccc(CS(C)(=O)=O)c2)c2cc([N+](=O)[O-])ccc2n1 ZINC000181497259 871089153 /nfs/dbraw/zinc/08/91/53/871089153.db2.gz RALMGMHIDQTPJD-UHFFFAOYSA-N 0 1 385.445 3.608 20 5 GHBDMN COc1ccc2c(c1)C[C@H](C)N(CCOc1ccc(OC)cc1[N+](=O)[O-])[C@@H]2C ZINC001169152528 871264537 /nfs/dbraw/zinc/26/45/37/871264537.db2.gz LRKNMUIPBOAEDB-LSDHHAIUSA-N 0 1 386.448 3.999 20 5 GHBDMN Cc1ccc([C@H](C)NCC(=O)Nc2ccc(N3CCCCC3)nc2)cc1[N+](=O)[O-] ZINC000181825179 871526244 /nfs/dbraw/zinc/52/62/44/871526244.db2.gz WLYITSWHDXGOPM-INIZCTEOSA-N 0 1 397.479 3.578 20 5 GHBDMN COc1ccc(CN(C(=O)CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C2CC2)cc1 ZINC000181835279 871537036 /nfs/dbraw/zinc/53/70/36/871537036.db2.gz HSNYGMIGWFOFSI-MRXNPFEDSA-N 0 1 397.475 3.754 20 5 GHBDMN Cc1cc(NC(=O)CN[C@@H](C)c2cccc([N+](=O)[O-])c2)ccc1Br ZINC000539277253 871604601 /nfs/dbraw/zinc/60/46/01/871604601.db2.gz RWXZAJRKCFRFHV-LBPRGKRZSA-N 0 1 392.253 3.955 20 5 GHBDMN CC(C)[C@H]1C[C@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000447591147 871899548 /nfs/dbraw/zinc/89/95/48/871899548.db2.gz BYGMILSYWOTLLX-UXHICEINSA-N 0 1 388.489 3.843 20 5 GHBDMN CN(C)[C@@H](CNc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-])c1ccco1 ZINC000447673409 872074123 /nfs/dbraw/zinc/07/41/23/872074123.db2.gz UCNBHZOPUODBRT-NSHDSACASA-N 0 1 394.300 3.952 20 5 GHBDMN COC(=O)[C@@H]1C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@H]1c1ccc(Cl)cc1 ZINC001195604562 872507341 /nfs/dbraw/zinc/50/73/41/872507341.db2.gz IEVZHIJFSCIJND-DLBZAZTESA-N 0 1 392.814 3.776 20 5 GHBDMN COC(=O)[C@@H]1CN(Cc2ccc(F)cc2[N+](=O)[O-])C[C@H]1c1ccc(Cl)cc1 ZINC001195604562 872507349 /nfs/dbraw/zinc/50/73/49/872507349.db2.gz IEVZHIJFSCIJND-DLBZAZTESA-N 0 1 392.814 3.776 20 5 GHBDMN O=[N+]([O-])c1cc(Br)cc(-c2nc(-c3ccn4cncc4c3)no2)c1 ZINC000447956882 872607678 /nfs/dbraw/zinc/60/76/78/872607678.db2.gz WINBXAOJSUUHGP-UHFFFAOYSA-N 0 1 386.165 3.722 20 5 GHBDMN Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)cc1C ZINC000742231846 872844750 /nfs/dbraw/zinc/84/47/50/872844750.db2.gz AXPRPKDMDLOHIC-UHFFFAOYSA-N 0 1 385.239 3.775 20 5 GHBDMN Cc1c(Cl)cc(S(=O)(=O)Nc2cnc3c(c2)CCCC3)cc1[N+](=O)[O-] ZINC000541073349 872856933 /nfs/dbraw/zinc/85/69/33/872856933.db2.gz SYURPFAZTXRZSH-UHFFFAOYSA-N 0 1 381.841 3.631 20 5 GHBDMN O=[N+]([O-])c1cccc(CCNCc2cn(-c3ccc(Cl)c(Cl)c3)nn2)c1 ZINC000541379115 873478106 /nfs/dbraw/zinc/47/81/06/873478106.db2.gz XYNVYHWELBVJMB-UHFFFAOYSA-N 0 1 392.246 3.815 20 5 GHBDMN O=C1[C@H](N2CCC(c3ccc(F)cc3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC001197021184 873546369 /nfs/dbraw/zinc/54/63/69/873546369.db2.gz QCTVMWGAISTYNB-HXUWFJFHSA-N 0 1 383.423 3.719 20 5 GHBDMN CC(C)c1cc([C@H]2CCCN([C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C2)[nH]n1 ZINC001197543127 873887061 /nfs/dbraw/zinc/88/70/61/873887061.db2.gz PELDHZKFHONQSP-CABCVRRESA-N 0 1 385.468 3.648 20 5 GHBDMN C[C@H](N[C@H]1CC2(CCC2)Oc2ccccc21)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001197673188 873961662 /nfs/dbraw/zinc/96/16/62/873961662.db2.gz WCPAMIWIRSIDST-KSSFIOAISA-N 0 1 381.432 3.958 20 5 GHBDMN O=C(OCc1ccccc1)N1CCC2(CCN2Cc2ccccc2[N+](=O)[O-])CC1 ZINC001198011160 874161457 /nfs/dbraw/zinc/16/14/57/874161457.db2.gz RBQKMHSPWRLRMZ-UHFFFAOYSA-N 0 1 395.459 3.972 20 5 GHBDMN C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000541783338 874256471 /nfs/dbraw/zinc/25/64/71/874256471.db2.gz DVUVNXIVYBZFTR-HNNXBMFYSA-N 0 1 386.427 3.862 20 5 GHBDMN C[C@@](CO)(Cc1ccccc1F)NCc1cccc([N+](=O)[O-])c1Br ZINC001198217766 874277559 /nfs/dbraw/zinc/27/75/59/874277559.db2.gz ASYJUQUOHKCAER-KRWDZBQOSA-N 0 1 397.244 3.580 20 5 GHBDMN COc1cc(CN(Cc2ccccc2)[C@H](CO)C(C)C)c([N+](=O)[O-])cc1F ZINC000464695576 874332788 /nfs/dbraw/zinc/33/27/88/874332788.db2.gz XKXULAWCRXQEOD-LJQANCHMSA-N 0 1 376.428 3.762 20 5 GHBDMN COc1cc(N[C@H]2CCCN(Cc3ccc(C)c([N+](=O)[O-])c3)C2)cc(OC)c1 ZINC000537650446 882835681 /nfs/dbraw/zinc/83/56/81/882835681.db2.gz FLGMUCBUQYTABU-KRWDZBQOSA-N 0 1 385.464 3.997 20 5 GHBDMN CC(C)[C@H](N[C@@H](C)Cc1ccccc1[N+](=O)[O-])c1nc(-c2ccncc2)no1 ZINC000449223186 874611958 /nfs/dbraw/zinc/61/19/58/874611958.db2.gz JLFSXRNFUIPVKC-KSSFIOAISA-N 0 1 381.436 3.958 20 5 GHBDMN CC(C)N(CCCOc1ccc([N+](=O)[O-])cc1)CC(=O)Nc1ccc(F)cc1 ZINC000609146057 874923699 /nfs/dbraw/zinc/92/36/99/874923699.db2.gz UGHDIRHURWUZAL-UHFFFAOYSA-N 0 1 389.427 3.852 20 5 GHBDMN CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](CNCc2csc([N+](=O)[O-])c2)C1 ZINC000717017701 875173049 /nfs/dbraw/zinc/17/30/49/875173049.db2.gz YRKXZXDWBLAVET-GFCCVEGCSA-N 0 1 391.440 3.638 20 5 GHBDMN COc1cccc(CN2CCC(Nc3ncc(Cl)cc3[N+](=O)[O-])CC2)c1 ZINC000771915659 875554885 /nfs/dbraw/zinc/55/48/85/875554885.db2.gz HCRICLPOOQBBHK-UHFFFAOYSA-N 0 1 376.844 3.728 20 5 GHBDMN Cn1c(=O)c(CNCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc2ccccc21 ZINC000491459538 875743222 /nfs/dbraw/zinc/74/32/22/875743222.db2.gz RRBZTVLJEXXASF-UHFFFAOYSA-N 0 1 389.411 3.997 20 5 GHBDMN Cc1ccc2[nH]c3c(c2c1)C[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)CC3 ZINC000491522197 875776914 /nfs/dbraw/zinc/77/69/14/875776914.db2.gz RICRALHWMFQMIP-LBPRGKRZSA-N 0 1 389.415 3.548 20 5 GHBDMN COc1ccc(Br)cc1CN(C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776272278 876134826 /nfs/dbraw/zinc/13/48/26/876134826.db2.gz SKLVKYGEMBSEOF-INIZCTEOSA-N 0 1 395.253 3.531 20 5 GHBDMN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc(OC(F)(F)F)c1 ZINC000030530346 876203719 /nfs/dbraw/zinc/20/37/19/876203719.db2.gz VWSFEEZYVJMKJC-UHFFFAOYSA-N 0 1 376.312 3.603 20 5 GHBDMN CCCN(C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H](C)C(=O)Nc1ccccc1C ZINC000786136514 876502663 /nfs/dbraw/zinc/50/26/63/876502663.db2.gz SHTZTIJOZLDWOP-OXQOHEQNSA-N 0 1 385.464 3.676 20 5 GHBDMN O=c1[nH]nc([C@H]2CCCN(c3cc(Cl)c(C(F)(F)F)cc3[N+](=O)[O-])C2)o1 ZINC000786551497 876785650 /nfs/dbraw/zinc/78/56/50/876785650.db2.gz NHZFFDVEAZVPLY-ZETCQYMHSA-N 0 1 392.721 3.740 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000850429245 876913086 /nfs/dbraw/zinc/91/30/86/876913086.db2.gz WVCAZXZJTJKDMS-ZIAGYGMSSA-N 0 1 385.420 3.972 20 5 GHBDMN COc1ccc([C@H](NC(=O)CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000451102821 877400193 /nfs/dbraw/zinc/40/01/93/877400193.db2.gz DYOCOIUMNGSAEZ-LHSJRXKWSA-N 0 1 383.448 3.522 20 5 GHBDMN COc1ccc(CC(=O)Nc2ccccc2-c2nnc(C(C)C)[nH]2)cc1[N+](=O)[O-] ZINC000067910018 877627261 /nfs/dbraw/zinc/62/72/61/877627261.db2.gz LCUUZRHXCGDLSM-UHFFFAOYSA-N 0 1 395.419 3.693 20 5 GHBDMN CN(C)Cc1cc(CNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)ccc1F ZINC000787812976 877634346 /nfs/dbraw/zinc/63/43/46/877634346.db2.gz RMHATLZOMZTHHU-UHFFFAOYSA-N 0 1 380.807 3.771 20 5 GHBDMN COc1ccc(S(=O)(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)c2cccnc12 ZINC000530440360 877823086 /nfs/dbraw/zinc/82/30/86/877823086.db2.gz XCGYGILMEVPWAT-UHFFFAOYSA-N 0 1 387.417 3.569 20 5 GHBDMN C[C@@H](C(=O)N1CCc2sccc2C1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451550828 878130539 /nfs/dbraw/zinc/13/05/39/878130539.db2.gz SEJVRGVFWWIBTO-RDJZCZTQSA-N 0 1 399.516 3.809 20 5 GHBDMN O=c1oc2cccc([N+](=O)[O-])c2n1CN1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000795682462 912331236 /nfs/dbraw/zinc/33/12/36/912331236.db2.gz XLAMTLOPEZDWFC-GVDBMIGSSA-N 0 1 379.416 3.728 20 5 GHBDMN C[C@H](NCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])c1ccc2c(c1)CCCO2 ZINC000852781194 878595285 /nfs/dbraw/zinc/59/52/85/878595285.db2.gz KULKPFYJVMSFKC-LBPRGKRZSA-N 0 1 389.839 3.863 20 5 GHBDMN Cc1c(CNC(=O)NC[C@H](c2ccc(Cl)cc2)N(C)C)cccc1[N+](=O)[O-] ZINC000616248959 878696479 /nfs/dbraw/zinc/69/64/79/878696479.db2.gz WDHHPNCILUQZQP-GOSISDBHSA-N 0 1 390.871 3.659 20 5 GHBDMN COc1cc(CN(C)[C@H](C)c2cccc(N3CCOC3=O)c2)ccc1[N+](=O)[O-] ZINC000789366536 878901845 /nfs/dbraw/zinc/90/18/45/878901845.db2.gz OWNPFNZPPLBIRR-CQSZACIVSA-N 0 1 385.420 3.753 20 5 GHBDMN COc1ccc(-c2n[nH]c(SCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])n2)cc1 ZINC000789822466 879305010 /nfs/dbraw/zinc/30/50/10/879305010.db2.gz AXYBHWGEAISSLS-UHFFFAOYSA-N 0 1 387.377 3.589 20 5 GHBDMN COc1cc(NC2CCN(Cc3ccc(C)c([N+](=O)[O-])c3)CC2)cc(OC)c1 ZINC000093837646 912462208 /nfs/dbraw/zinc/46/22/08/912462208.db2.gz BEILDGVMHQXDMR-UHFFFAOYSA-N 0 1 385.464 3.997 20 5 GHBDMN Cc1c(CN[C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)cccc1[N+](=O)[O-] ZINC000790544242 879835076 /nfs/dbraw/zinc/83/50/76/879835076.db2.gz UFMMSZUFXANNBY-INIZCTEOSA-N 0 1 377.803 3.591 20 5 GHBDMN O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3ccc(SC(F)F)cc3)C2)nc1 ZINC000112656542 880064687 /nfs/dbraw/zinc/06/46/87/880064687.db2.gz ZSINTIAOBVXZPR-CYBMUJFWSA-N 0 1 380.420 3.991 20 5 GHBDMN CCN(C(=O)c1cc([N+](=O)[O-])cc(C)c1F)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000790953264 880098416 /nfs/dbraw/zinc/09/84/16/880098416.db2.gz XCWNMTYDFPYSSH-QGZVFWFLSA-N 0 1 385.439 3.779 20 5 GHBDMN CCOC(=O)/C(=C\c1ccc(O)c(Br)c1)c1ccc([N+](=O)[O-])cn1 ZINC000791427954 880428154 /nfs/dbraw/zinc/42/81/54/880428154.db2.gz LFBBVHLNAMZASN-GHXNOFRVSA-N 0 1 393.193 3.562 20 5 GHBDMN CC1(C)CO[C@H](c2cccc(F)c2)CN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000598222797 880729102 /nfs/dbraw/zinc/72/91/02/880729102.db2.gz BVFWBHGZEUNCCF-KRWDZBQOSA-N 0 1 398.394 3.603 20 5 GHBDMN CC(C)(C)OCc1cc(CNC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)no1 ZINC000776864915 880912258 /nfs/dbraw/zinc/91/22/58/880912258.db2.gz AWVVOOPOXRBBNR-UHFFFAOYSA-N 0 1 388.468 3.657 20 5 GHBDMN O=C(c1cccc(Cl)c1)N1CCCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000064482351 881141165 /nfs/dbraw/zinc/14/11/65/881141165.db2.gz BDJSBPITYFVBLP-UHFFFAOYSA-N 0 1 387.867 3.639 20 5 GHBDMN O=[N+]([O-])c1cc(CN[C@H](c2ccccc2)C2(CO)CCCC2)c2c(c1)COCO2 ZINC000453617031 881157550 /nfs/dbraw/zinc/15/75/50/881157550.db2.gz OVXOCGMESILXRH-OAQYLSRUSA-N 0 1 398.459 3.845 20 5 GHBDMN CN(c1ccccc1)c1ccc(CN[C@@H]2C[C@H]3CCCCN3C2=O)cc1[N+](=O)[O-] ZINC000453623292 881173808 /nfs/dbraw/zinc/17/38/08/881173808.db2.gz JKDXLVLQVZMCKT-RTBURBONSA-N 0 1 394.475 3.606 20 5 GHBDMN CN(CCCN(C)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)Cc1ccco1 ZINC000805196274 883673850 /nfs/dbraw/zinc/67/38/50/883673850.db2.gz SGPPNLZRTMLJKE-UHFFFAOYSA-N 0 1 394.859 3.505 20 5 GHBDMN O=C(Nc1cc(Cl)c(O)cc1F)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000805256988 883722781 /nfs/dbraw/zinc/72/27/81/883722781.db2.gz MOZVHZWASRUQEL-UHFFFAOYSA-N 0 1 376.674 3.947 20 5 GHBDMN COc1cc(CN2CCCC[C@@H]2CCNC(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC000805764804 884095983 /nfs/dbraw/zinc/09/59/83/884095983.db2.gz KQQLRIRCSMSYTM-MRXNPFEDSA-N 0 1 393.484 3.873 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)Cc1ccccc1Cl ZINC000026224948 884189653 /nfs/dbraw/zinc/18/96/53/884189653.db2.gz LYMMRGOKEOXCAP-UHFFFAOYSA-N 0 1 377.828 3.717 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](C)N(Cc3ccccc3)[C@H](C)[C@@H]2C)c1 ZINC001130458421 884264104 /nfs/dbraw/zinc/26/41/04/884264104.db2.gz MXUCIXVQRBZXNC-BBWFWOEESA-N 0 1 397.475 3.727 20 5 GHBDMN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(-c3csnn3)cc2)ccc1Cl ZINC000918753996 884286409 /nfs/dbraw/zinc/28/64/09/884286409.db2.gz VHHVCKWMZITPKX-UHFFFAOYSA-N 0 1 396.837 3.568 20 5 GHBDMN C[C@H](N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000248954787 885501954 /nfs/dbraw/zinc/50/19/54/885501954.db2.gz BKPIRIJAUXCQQR-XZOAIXRZSA-N 0 1 389.839 3.695 20 5 GHBDMN CCN(CC)[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1Cl ZINC000032316083 885916266 /nfs/dbraw/zinc/91/62/66/885916266.db2.gz GKIAQJXKBRCMPP-LJQANCHMSA-N 0 1 389.883 3.990 20 5 GHBDMN O=C(NCc1ccc(Nc2ccncc2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001184080734 913010846 /nfs/dbraw/zinc/01/08/46/913010846.db2.gz GCYHWCRTHUZPGY-UHFFFAOYSA-N 0 1 382.807 3.739 20 5 GHBDMN O=[N+]([O-])c1cc(Br)ccc1NC1CCN(Cc2ccccn2)CC1 ZINC000301069782 886243569 /nfs/dbraw/zinc/24/35/69/886243569.db2.gz DGWMORKSMHKCSS-UHFFFAOYSA-N 0 1 391.269 3.829 20 5 GHBDMN CC[C@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)N1CCc2ccccc2C1 ZINC000032446054 886544889 /nfs/dbraw/zinc/54/48/89/886544889.db2.gz RILNKEAKZGALHN-GOSISDBHSA-N 0 1 399.516 3.640 20 5 GHBDMN O=[N+]([O-])c1ccc(CN[C@@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)c(F)c1 ZINC000153624239 886789863 /nfs/dbraw/zinc/78/98/63/886789863.db2.gz MWGKZRCXBAVEIB-OAHLLOKOSA-N 0 1 395.316 3.750 20 5 GHBDMN COc1cc(CN2CCC23CCN(C(=O)OC(C)(C)C)CC3)ccc1[N+](=O)[O-] ZINC000794594266 887615914 /nfs/dbraw/zinc/61/59/14/887615914.db2.gz KTMYAUJQHVOHBB-UHFFFAOYSA-N 0 1 391.468 3.579 20 5 GHBDMN CC(C)(C)OC(=O)N(CCNCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(C)(C)C ZINC000809654704 887662505 /nfs/dbraw/zinc/66/25/05/887662505.db2.gz MAVISDYANALLMZ-UHFFFAOYSA-N 0 1 391.472 3.596 20 5 GHBDMN COc1ccc(CN(Cn2c(=O)oc3cccc([N+](=O)[O-])c32)[C@H](C)C2CC2)cc1 ZINC000794623363 887689539 /nfs/dbraw/zinc/68/95/39/887689539.db2.gz LYDGVYCYRNLESV-CQSZACIVSA-N 0 1 397.431 3.770 20 5 GHBDMN CN(CCNC(=O)Nc1cccc([N+](=O)[O-])c1Cl)Cc1ccc(F)cc1 ZINC000809916083 887940858 /nfs/dbraw/zinc/94/08/58/887940858.db2.gz GEEQMVGOJRSNEA-UHFFFAOYSA-N 0 1 380.807 3.641 20 5 GHBDMN C[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000194059479 887996342 /nfs/dbraw/zinc/99/63/42/887996342.db2.gz JMMCULSACCDPEP-QWRGUYRKSA-N 0 1 392.799 3.834 20 5 GHBDMN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1ccncc1OC[C@@H]1CCOC1)CCC2 ZINC000287229025 913201251 /nfs/dbraw/zinc/20/12/51/913201251.db2.gz GNQGCHQMSQNZMJ-QRWLVFNGSA-N 0 1 383.448 3.572 20 5 GHBDMN CCO[C@H]1C[C@@](CO)(NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1(C)C ZINC000809985453 888041400 /nfs/dbraw/zinc/04/14/00/888041400.db2.gz LEAQHNHFLTWECJ-BBRMVZONSA-N 0 1 377.268 3.557 20 5 GHBDMN CCO[C@H]1C[C@](CO)(NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1(C)C ZINC000809985458 888041698 /nfs/dbraw/zinc/04/16/98/888041698.db2.gz LEAQHNHFLTWECJ-XJKSGUPXSA-N 0 1 377.268 3.557 20 5 GHBDMN O=[N+]([O-])c1ccc(Cl)cc1OC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000809995678 888051450 /nfs/dbraw/zinc/05/14/50/888051450.db2.gz UJLQETWFEZVHFI-QGZVFWFLSA-N 0 1 376.840 3.918 20 5 GHBDMN CCN1CCN(c2cc(N(C)C(=O)C(CC)(CC)CC)cc([N+](=O)[O-])c2)CC1 ZINC001132059649 888138164 /nfs/dbraw/zinc/13/81/64/888138164.db2.gz YGGDAAOOFKEBLI-UHFFFAOYSA-N 0 1 390.528 3.916 20 5 GHBDMN CSc1nc2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2s1 ZINC000916110565 888737456 /nfs/dbraw/zinc/73/74/56/888737456.db2.gz UDCHKUASPWTWBF-UHFFFAOYSA-N 0 1 381.460 3.727 20 5 GHBDMN C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])NCc1nnc2ccc(C(F)(F)F)cn21 ZINC000866220894 888785288 /nfs/dbraw/zinc/78/52/88/888785288.db2.gz LBTUOEOSTKSXQE-JTQLQIEISA-N 0 1 397.332 3.516 20 5 GHBDMN Cc1nn(CN2CC[C@H](COCc3ccccc3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000121226310 889034508 /nfs/dbraw/zinc/03/45/08/889034508.db2.gz FGKUPQGERGQPOR-SFHVURJKSA-N 0 1 380.448 3.749 20 5 GHBDMN CCN1CCN(c2ccccc2NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000916564698 889140215 /nfs/dbraw/zinc/14/02/15/889140215.db2.gz YSTYGPVHAQJLTG-UHFFFAOYSA-N 0 1 388.855 3.642 20 5 GHBDMN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNCCn1cc(Br)cn1 ZINC000811505330 889696127 /nfs/dbraw/zinc/69/61/27/889696127.db2.gz AUILMQYUWGUBDE-UHFFFAOYSA-N 0 1 394.056 3.650 20 5 GHBDMN COc1ccc(NC(=O)[C@H](C)N2C[C@H](c3ccccc3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000533297968 890237522 /nfs/dbraw/zinc/23/75/22/890237522.db2.gz RHASGYKTIKNLMQ-HLLBOEOZSA-N 0 1 383.448 3.808 20 5 GHBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)N[C@H]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC001212217286 890504446 /nfs/dbraw/zinc/50/44/46/890504446.db2.gz RRWRNMGZOQQKKJ-ZFWWWQNUSA-N 0 1 395.868 3.648 20 5 GHBDMN C[C@@H](N[C@@H](C)c1ccc(C(F)(F)F)nc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000871934656 891090914 /nfs/dbraw/zinc/09/09/14/891090914.db2.gz KODCEAYDDKESBW-WDEREUQCSA-N 0 1 382.342 3.686 20 5 GHBDMN O=[N+]([O-])c1ccc(CCN2CCN(Cc3cccc4cccnc43)CC2)cc1 ZINC000917090907 891097575 /nfs/dbraw/zinc/09/75/75/891097575.db2.gz AWLIPOCSDFMSEN-UHFFFAOYSA-N 0 1 376.460 3.503 20 5 GHBDMN C[C@H](NCC1(C(=O)OC(C)(C)C)CCOCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872082464 891145870 /nfs/dbraw/zinc/14/58/70/891145870.db2.gz WLKNQKFVYUJWHL-ZDUSSCGKSA-N 0 1 382.432 3.523 20 5 GHBDMN Cc1c(NC(=O)[C@H](C)N2CCC[C@@H](OC3CCC3)CC2)cccc1[N+](=O)[O-] ZINC000872279307 891226873 /nfs/dbraw/zinc/22/68/73/891226873.db2.gz HPTFDGXTKQFCSO-DOTOQJQBSA-N 0 1 375.469 3.654 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@H](C1CC1)C1CCC1 ZINC001212074420 891691586 /nfs/dbraw/zinc/69/15/86/891691586.db2.gz CXCDIWQPQWCSBV-ZDUSSCGKSA-N 0 1 379.265 3.759 20 5 GHBDMN Cc1ccccc1[C@H](C)CC(=O)Nc1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC001134197064 892459461 /nfs/dbraw/zinc/45/94/61/892459461.db2.gz BNANYVLJWNAELI-QGZVFWFLSA-N 0 1 396.491 3.787 20 5 GHBDMN C[C@@H]1CN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)[C@@H](C)CN1C ZINC000509684014 892784549 /nfs/dbraw/zinc/78/45/49/892784549.db2.gz JVVFBTRSLCVSFL-CABCVRRESA-N 0 1 385.489 3.911 20 5 GHBDMN O=C(Nc1ccc(-c2ncc3n2CCCC3)cc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000476011621 893039272 /nfs/dbraw/zinc/03/92/72/893039272.db2.gz PSMNUJLOMCMPMJ-UHFFFAOYSA-N 0 1 378.388 3.753 20 5 GHBDMN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CN1CCC(OC[C@@H]2CCCO2)CC1 ZINC000876650620 893272693 /nfs/dbraw/zinc/27/26/93/893272693.db2.gz WFAYRXUODWPJCT-INIZCTEOSA-N 0 1 388.386 3.774 20 5 GHBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@@H](Cc2nccs2)C1 ZINC000934335510 893554058 /nfs/dbraw/zinc/55/40/58/893554058.db2.gz IRBUMQADYWCSRD-OLZOCXBDSA-N 0 1 385.449 3.727 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](c1ccccc1)C1(CO)CCCC1 ZINC000459525971 893732021 /nfs/dbraw/zinc/73/20/21/893732021.db2.gz IVGOXHJIWKAOKM-NRFANRHFSA-N 0 1 397.475 3.725 20 5 GHBDMN O=C(NC[C@H](c1cccs1)N1CCCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000007687016 893934750 /nfs/dbraw/zinc/93/47/50/893934750.db2.gz QWXBCIILXNFVIM-OAHLLOKOSA-N 0 1 379.869 3.877 20 5 GHBDMN COc1ccc([C@@H]2CCN(Cc3nnc(-c4ccccc4[N+](=O)[O-])o3)C2)cc1 ZINC000878023184 893956971 /nfs/dbraw/zinc/95/69/71/893956971.db2.gz SELUXGBOTOLIEE-OAHLLOKOSA-N 0 1 380.404 3.643 20 5 GHBDMN Cc1nn(Cc2ccccc2)c(C)c1CN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815556534 893993498 /nfs/dbraw/zinc/99/34/98/893993498.db2.gz XVYOZXCULKWJRL-CQSZACIVSA-N 0 1 379.464 3.889 20 5 GHBDMN Cc1cc(NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000563959302 894373371 /nfs/dbraw/zinc/37/33/71/894373371.db2.gz GEOXKMWNRSOJEF-CQSZACIVSA-N 0 1 389.477 3.987 20 5 GHBDMN Cc1ncc([N+](=O)[O-])n1CCN[C@@H](C)c1ccc(C(F)(F)F)nc1Cl ZINC000879017891 894785663 /nfs/dbraw/zinc/78/56/63/894785663.db2.gz LWDIRMYNOIAQRQ-QMMMGPOBSA-N 0 1 377.754 3.518 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(CN2CC[C@H]3CC[C@@H](C2)S3)o1 ZINC000879035616 894799516 /nfs/dbraw/zinc/79/95/16/894799516.db2.gz OHFILOPLWJLXPE-NEPJUHHUSA-N 0 1 380.857 3.768 20 5 GHBDMN CC(C)(CO)[C@@H](NCc1ccc(Br)c([N+](=O)[O-])c1)c1cccnc1 ZINC000816637824 894983885 /nfs/dbraw/zinc/98/38/85/894983885.db2.gz PUSWXJWVRDBZMJ-INIZCTEOSA-N 0 1 394.269 3.602 20 5 GHBDMN CCO[C@@H]1C[C@@H](NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])[C@@H]1n1cccn1 ZINC000816672502 895016939 /nfs/dbraw/zinc/01/69/39/895016939.db2.gz BPDMBFALUAKAJU-FMKPAKJESA-N 0 1 385.251 3.606 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2oc(CN3CCCC3)nc2c1 ZINC000816765572 895057572 /nfs/dbraw/zinc/05/75/72/895057572.db2.gz KSXYEMWFPINEIR-UHFFFAOYSA-N 0 1 396.403 3.593 20 5 GHBDMN O=C([O-])c1cc(N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000565037022 895360984 /nfs/dbraw/zinc/36/09/84/895360984.db2.gz ZKOASMBKGIDKMI-PXNSSMCTSA-N 0 1 395.459 3.784 20 5 GHBDMN Cc1csc([C@@H]2CCN([C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)n1 ZINC000880007532 895446340 /nfs/dbraw/zinc/44/63/40/895446340.db2.gz JCBOCFOAKXQWJO-GXTWGEPZSA-N 0 1 385.449 3.960 20 5 GHBDMN CSc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1ccc(N2CCNC2=O)cc1 ZINC000883287743 897449473 /nfs/dbraw/zinc/44/94/73/897449473.db2.gz CQITUDPUKPIOKK-ZDUSSCGKSA-N 0 1 386.477 3.697 20 5 GHBDMN CCOC(=O)c1cc([N+](=O)[O-])c(NCCN(CC)CCC(F)(F)F)cc1C ZINC001186089068 914297633 /nfs/dbraw/zinc/29/76/33/914297633.db2.gz LRBBPABTBGAYFY-UHFFFAOYSA-N 0 1 391.390 3.766 20 5 GHBDMN Cc1[nH]nc(C(=O)N2CCC[C@H]2c2ccc(Br)c(C)c2)c1[N+](=O)[O-] ZINC000331680118 899080777 /nfs/dbraw/zinc/08/07/77/899080777.db2.gz WBBRNVMGIGCKHN-ZDUSSCGKSA-N 0 1 393.241 3.675 20 5 GHBDMN O=[N+]([O-])c1ccc([C@H]2CCCN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)cc1 ZINC000824820352 899825745 /nfs/dbraw/zinc/82/57/45/899825745.db2.gz DJAKQPZWAQBBPT-HNNXBMFYSA-N 0 1 399.403 3.749 20 5 GHBDMN O=[N+]([O-])c1ccc2c(c1N1CCC[C@H](c3ncc(C(F)(F)F)[nH]3)C1)CCN2 ZINC000571505937 899890276 /nfs/dbraw/zinc/89/02/76/899890276.db2.gz DFVRVIQIBZKUIG-JTQLQIEISA-N 0 1 381.358 3.689 20 5 GHBDMN O=[N+]([O-])c1c(Br)cccc1NCCc1cc(-c2ccncc2)[nH]n1 ZINC001186367454 914477637 /nfs/dbraw/zinc/47/76/37/914477637.db2.gz BFIINHJJSRCROB-UHFFFAOYSA-N 0 1 388.225 3.797 20 5 GHBDMN CCc1csc(CC2CCN(C[C@H](O)c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000847035591 903388183 /nfs/dbraw/zinc/38/81/83/903388183.db2.gz QSFBCEBOVDIOBE-SFHVURJKSA-N 0 1 375.494 3.602 20 5 GHBDMN Cc1c([C@H](C)N[C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cccc1[N+](=O)[O-] ZINC000133797961 903422665 /nfs/dbraw/zinc/42/26/65/903422665.db2.gz IALUMQXNKYUVFF-GJZGRUSLSA-N 0 1 391.493 3.565 20 5 GHBDMN CC[C@](C)(NCCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1nc(C)cs1 ZINC000173945064 905167144 /nfs/dbraw/zinc/16/71/44/905167144.db2.gz IIGURLZZJBVYJT-SFHVURJKSA-N 0 1 392.481 3.612 20 5 GHBDMN O=[N+]([O-])c1ccc2c(c1)CC[C@@H](N1CCO[C@H](COc3ccccc3)C1)CC2 ZINC001172920047 905990236 /nfs/dbraw/zinc/99/02/36/905990236.db2.gz IAZIYFNSXSJLJC-UGKGYDQZSA-N 0 1 382.460 3.622 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CCC[C@@H](C(=O)OC(C)(C)C)C2)c1F ZINC001173189685 906269239 /nfs/dbraw/zinc/26/92/39/906269239.db2.gz LTFRTRUBSBIFKC-UONOGXRCSA-N 0 1 396.459 3.727 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CC[C@H](OCc3ccccc3)C2)c1F ZINC001173190319 906271731 /nfs/dbraw/zinc/27/17/31/906271731.db2.gz SRWPCUIIPIYHJM-WBVHZDCISA-N 0 1 388.439 3.965 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CC[C@@H](OCc3ccccc3)C2)c1F ZINC001173190317 906271872 /nfs/dbraw/zinc/27/18/72/906271872.db2.gz SRWPCUIIPIYHJM-NVXWUHKLSA-N 0 1 388.439 3.965 20 5 GHBDMN CCOCc1nn(CC2CC2)c2c1CN([C@H](C)Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC001173222090 906299735 /nfs/dbraw/zinc/29/97/35/906299735.db2.gz PAKVXILZQSBVQE-MRXNPFEDSA-N 0 1 398.507 3.727 20 5 GHBDMN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC(n2c3ccccc3n(C)c2=O)CC1 ZINC001173226791 906308759 /nfs/dbraw/zinc/30/87/59/906308759.db2.gz LIVPFVCKBDNEDK-MRXNPFEDSA-N 0 1 394.475 3.516 20 5 GHBDMN O=[N+]([O-])c1cc(CN[C@H](C[C@@H]2CCOC2)c2ccccc2)c2c(c1)COCO2 ZINC000179015926 906416767 /nfs/dbraw/zinc/41/67/67/906416767.db2.gz AZHKBASRYZWRDV-MGPUTAFESA-N 0 1 384.432 3.719 20 5 GHBDMN CN(Cc1cc([N+](=O)[O-])ccc1Cl)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000181748005 907067709 /nfs/dbraw/zinc/06/77/09/907067709.db2.gz AKUFKUKGJWJZRB-UHFFFAOYSA-N 0 1 381.904 3.965 20 5 GHBDMN CC(C)[C@H]1CN(Cc2ccccc2)CC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC001174749532 907206461 /nfs/dbraw/zinc/20/64/61/907206461.db2.gz NHIOCKYCUWKPHJ-JOCHJYFZSA-N 0 1 383.492 3.816 20 5 GHBDMN CN1CCN(c2ccc(Nc3cc4nc5ccccc5nc4cc3N)cc2)CC1 ZINC001174816219 907214326 /nfs/dbraw/zinc/21/43/26/907214326.db2.gz VXFGZIPZUPTDQV-UHFFFAOYSA-N 0 1 384.487 3.861 20 5 GHBDMN CC[C@@H](Nc1cccc(CN2CCC[C@@H]2C(N)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000183013382 907313057 /nfs/dbraw/zinc/31/30/57/907313057.db2.gz LHQMGGKVOOXZFT-WOJBJXKFSA-N 0 1 382.464 3.608 20 5 GHBDMN COc1cc(CN(C)C[C@@H](C)c2nccs2)c([N+](=O)[O-])cc1OC(F)F ZINC000184018943 907501563 /nfs/dbraw/zinc/50/15/63/907501563.db2.gz ODNNDUYSBSARFA-SNVBAGLBSA-N 0 1 387.408 3.897 20 5 GHBDMN COc1ccc(NC(=O)CCN2CCc3cc(Cl)ccc3C2)c([N+](=O)[O-])c1 ZINC000192242386 907556621 /nfs/dbraw/zinc/55/66/21/907556621.db2.gz QCDNWNJHBHUXSM-UHFFFAOYSA-N 0 1 389.839 3.644 20 5 GHBDMN C[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC001176035871 907896118 /nfs/dbraw/zinc/89/61/18/907896118.db2.gz FWUJVFFKVRJRRF-WDEREUQCSA-N 0 1 392.799 3.834 20 5 GHBDMN CCN(Cc1ccc([N+](=O)[O-])cc1F)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001176932801 908306534 /nfs/dbraw/zinc/30/65/34/908306534.db2.gz RKUCNHIMMYHHKH-UHFFFAOYSA-N 0 1 381.448 3.955 20 5 GHBDMN C[C@@H](CNCc1c(Br)cccc1[N+](=O)[O-])N(C)c1ccccc1 ZINC001177261558 908505769 /nfs/dbraw/zinc/50/57/69/908505769.db2.gz GGBIADQMEFPRLK-ZDUSSCGKSA-N 0 1 378.270 3.972 20 5 GHBDMN Cc1cc(CN2CCSCC2)ccc1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000299529897 921416303 /nfs/dbraw/zinc/41/63/03/921416303.db2.gz NRJSPVCQQXLTGW-UHFFFAOYSA-N 0 1 377.491 3.766 20 5 GHBDMN Cc1cccc([N+](=O)[O-])c1C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000194371974 908939030 /nfs/dbraw/zinc/93/90/30/908939030.db2.gz IPXCBTOOHBEUQF-UHFFFAOYSA-N 0 1 387.867 3.951 20 5 GHBDMN COc1ccc([C@@H](CNC(=O)c2cc(C)cc([N+](=O)[O-])c2)N2CCCCC2)cc1 ZINC000195690634 909031902 /nfs/dbraw/zinc/03/19/02/909031902.db2.gz SGMOPIQOUKUNLX-OAQYLSRUSA-N 0 1 397.475 3.869 20 5 GHBDMN C[C@@H](N[C@H](C)c1ccccc1[N+](=O)[O-])c1ccc(OCC(=O)NC2CC2)cc1 ZINC000266460842 909176712 /nfs/dbraw/zinc/17/67/12/909176712.db2.gz LUZXLCAYXHKCKF-HUUCEWRRSA-N 0 1 383.448 3.664 20 5 GHBDMN C[C@@H](N[C@@H](C)c1ccc(OCC(=O)NC2CC2)cc1)c1ccccc1[N+](=O)[O-] ZINC000266460843 909176883 /nfs/dbraw/zinc/17/68/83/909176883.db2.gz LUZXLCAYXHKCKF-LSDHHAIUSA-N 0 1 383.448 3.664 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(CNCC[C@H]2CCCS2(=O)=O)o1 ZINC001179464047 909540488 /nfs/dbraw/zinc/54/04/88/909540488.db2.gz OJIAPFCDSYTTST-CQSZACIVSA-N 0 1 398.868 3.565 20 5 GHBDMN O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3cc4ccnc(Cl)c4s3)C2)nc1 ZINC001179937659 909815932 /nfs/dbraw/zinc/81/59/32/909815932.db2.gz NZVVAGOUNJRQEF-LBPRGKRZSA-N 0 1 389.868 3.939 20 5 GHBDMN CC[C@H](CSc1ccccc1[N+](=O)[O-])NCc1nnc2n1CCCCC2 ZINC000271156475 910797930 /nfs/dbraw/zinc/79/79/30/910797930.db2.gz RFURXDDMGYGVAV-CQSZACIVSA-N 0 1 375.498 3.573 20 5 GHBDMN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000283088335 911365218 /nfs/dbraw/zinc/36/52/18/911365218.db2.gz LBPRFIBFWQSVEV-HNNXBMFYSA-N 0 1 387.867 3.842 20 5 GHBDMN O=[N+]([O-])c1nc[nH]c1-c1nc(-c2ccc3c(c2)CO[C@H]3c2ccc(F)cc2)no1 ZINC001212892940 911378831 /nfs/dbraw/zinc/37/88/31/911378831.db2.gz DYHKOEXYLJIISE-INIZCTEOSA-N 0 1 393.334 3.794 20 5 GHBDMN Cc1ccc2nc([C@H]3CCCN(C(=O)c4cc([N+](=O)[O-])c(F)cc4N)C3)[nH]c2c1 ZINC000284284714 911813837 /nfs/dbraw/zinc/81/38/37/911813837.db2.gz FQUUSGBYVFUWRY-LBPRGKRZSA-N 0 1 397.410 3.521 20 5 GHBDMN CC(C)(C)OC(=O)N1CCC[C@@]2(CCN(Cc3ccc([N+](=O)[O-])c(F)c3)C2)C1 ZINC000802009106 921749508 /nfs/dbraw/zinc/74/95/08/921749508.db2.gz MOEPZGMHDPWJPZ-FQEVSTJZSA-N 0 1 393.459 3.957 20 5 GHBDMN Cc1cc(N2CC[C@@]3(C2)CN(Cc2ccccc2)C[C@H](C)O3)c(F)cc1[N+](=O)[O-] ZINC001187429931 915285439 /nfs/dbraw/zinc/28/54/39/915285439.db2.gz GLJKYLKWYMJWOG-JTSKRJEESA-N 0 1 399.466 3.912 20 5 GHBDMN O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000292885734 915888970 /nfs/dbraw/zinc/88/89/70/915888970.db2.gz WCPPCTPXPZGFCA-AWEZNQCLSA-N 0 1 393.365 3.618 20 5 GHBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@@H](Cc2ccncc2)C1 ZINC000360341024 916069317 /nfs/dbraw/zinc/06/93/17/916069317.db2.gz BRKLQUHJWZRCJU-ZBFHGGJFSA-N 0 1 379.420 3.665 20 5 GHBDMN O=c1c(C(F)(F)F)cc(-c2ccccc2)nn1Cc1cc(O)ccc1[N+](=O)[O-] ZINC001188591033 916069774 /nfs/dbraw/zinc/06/97/74/916069774.db2.gz RANFQIMFPYRHFP-UHFFFAOYSA-N 0 1 391.305 3.591 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2nc(CN3CCC(CO)(c4ccccc4)CC3)co2)cc1 ZINC000293240552 916079773 /nfs/dbraw/zinc/07/97/73/916079773.db2.gz HSKIJEOPZJDVQK-UHFFFAOYSA-N 0 1 393.443 3.776 20 5 GHBDMN C[C@H]1CN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CCN(C2CC2)C1 ZINC000295319168 917267254 /nfs/dbraw/zinc/26/72/54/917267254.db2.gz KYSHLIZEKLGKJU-OAHLLOKOSA-N 0 1 375.472 3.650 20 5 GHBDMN Cc1ccccc1[C@@H]1C[C@@H](C)N(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC001191155954 917789547 /nfs/dbraw/zinc/78/95/47/917789547.db2.gz JIEWXYVWTFGQKI-SJLPKXTDSA-N 0 1 379.460 3.670 20 5 GHBDMN CCOc1ccc(NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)cc1F ZINC000775470377 918112924 /nfs/dbraw/zinc/11/29/24/918112924.db2.gz GVDLQSAIZYRFST-UHFFFAOYSA-N 0 1 388.804 3.895 20 5 GHBDMN COc1cc(NC(=O)CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)c(OC)cc1Cl ZINC000296829440 918816780 /nfs/dbraw/zinc/81/67/80/918816780.db2.gz WIQFHIYWYCMZJO-NSHDSACASA-N 0 1 393.827 3.555 20 5 GHBDMN CC(C)(O)C1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000297414210 919306683 /nfs/dbraw/zinc/30/66/83/919306683.db2.gz MSKPQUQXDDSLPE-UHFFFAOYSA-N 0 1 395.253 3.820 20 5 GHBDMN CCOc1cc(CNCc2ccc([N+](=O)[O-])cc2)cc(Br)c1O ZINC000298708929 920833307 /nfs/dbraw/zinc/83/33/07/920833307.db2.gz SPIKAKRQPYHFBH-UHFFFAOYSA-N 0 1 381.226 3.751 20 5 GHBDMN COc1cc([C@H](C)N[C@@H](C)c2ccc(N3CCNC3=O)cc2)cc([N+](=O)[O-])c1 ZINC000903192399 922843797 /nfs/dbraw/zinc/84/37/97/922843797.db2.gz MHJONDPWYKNIOA-KBPBESRZSA-N 0 1 384.436 3.545 20 5 GHBDMN CCOc1ccc2nc(SCC(=O)N(C)c3ccc([N+](=O)[O-])cc3)[nH]c2c1 ZINC000009654503 923271884 /nfs/dbraw/zinc/27/18/84/923271884.db2.gz SKVGAZSEWVJAAU-UHFFFAOYSA-N 0 1 386.433 3.625 20 5 GHBDMN O=[N+]([O-])c1ccc(Cl)c(CNC[C@@H](O)c2ccc(OC(F)(F)F)cc2)c1 ZINC000748820063 923844966 /nfs/dbraw/zinc/84/49/66/923844966.db2.gz AQFORQQFERSDEM-OAHLLOKOSA-N 0 1 390.745 3.970 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2noc(CN3CCCC[C@H]3[C@H](O)c3ccccc3)n2)cc1 ZINC000750609080 927748168 /nfs/dbraw/zinc/74/81/68/927748168.db2.gz PONFORCLRQCSHN-AZUAARDMSA-N 0 1 394.431 3.733 20 5 GHBDMN CCO[C@@H]1C[C@@H](N(C)Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1(CC)CC ZINC000751959310 928511790 /nfs/dbraw/zinc/51/17/90/928511790.db2.gz KNGWCMSMZAJAPE-IAGOWNOFSA-N 0 1 375.473 3.521 20 5 GHBDMN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Cl)cc1O ZINC000753959973 929611891 /nfs/dbraw/zinc/61/18/91/929611891.db2.gz AVYHFFYRAFUNJG-UHFFFAOYSA-N 0 1 377.205 3.716 20 5 GHBDMN Cc1cc(F)cc(C(=O)NC[C@H](c2ccc(Cl)cc2)N(C)C)c1[N+](=O)[O-] ZINC000758508645 930065543 /nfs/dbraw/zinc/06/55/43/930065543.db2.gz PGVNJKFHHGODPC-MRXNPFEDSA-N 0 1 379.819 3.728 20 5 GHBDMN CN(C)Cc1cc(-c2noc(Cn3ccc4cc([N+](=O)[O-])ccc43)n2)ccc1F ZINC000546455542 930180200 /nfs/dbraw/zinc/18/02/00/930180200.db2.gz UJHRYMMSYZTLSB-UHFFFAOYSA-N 0 1 395.394 3.849 20 5 GHBDMN CC(=Cc1nc(Cc2nnc(-c3ccccc3)[nH]2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000546502058 930224269 /nfs/dbraw/zinc/22/42/69/930224269.db2.gz JUIXESDSTULIFH-ACCUITESSA-N 0 1 388.387 3.914 20 5 GHBDMN CC(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)cc1C ZINC000759110032 930276671 /nfs/dbraw/zinc/27/66/71/930276671.db2.gz VCYSYUAAAXLWHE-UHFFFAOYSA-N 0 1 382.825 3.868 20 5 GHBDMN O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1Br ZINC000782263772 931146215 /nfs/dbraw/zinc/14/62/15/931146215.db2.gz NTGIBQJSKDFGHW-UHFFFAOYSA-N 0 1 391.630 3.812 20 5 GHBDMN O=C(OCc1ccc([N+](=O)[O-])c(F)c1)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000783783776 931654245 /nfs/dbraw/zinc/65/42/45/931654245.db2.gz DBKFIVKPFWUZOB-INIZCTEOSA-N 0 1 390.386 3.828 20 5 GHBDMN CSc1c(F)cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)cc1F ZINC000783856163 931693195 /nfs/dbraw/zinc/69/31/95/931693195.db2.gz RDICMWNWDIYOJT-UHFFFAOYSA-N 0 1 392.380 3.843 20 5 GHBDMN CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](CC)N2CCc3ccccc3C2)c1 ZINC000558762564 932218281 /nfs/dbraw/zinc/21/82/81/932218281.db2.gz TWIRHUWOFUWTOA-GOSISDBHSA-N 0 1 397.475 3.560 20 5 GHBDMN Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2ccc(CN(C)C)c(F)c2)c1 ZINC000798331098 932604189 /nfs/dbraw/zinc/60/41/89/932604189.db2.gz KZBPVIFLQMFUNL-UHFFFAOYSA-N 0 1 375.400 3.512 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1CN[C@H](CNC(=O)OC(C)(C)C)C(C)(C)C ZINC000799202560 932913196 /nfs/dbraw/zinc/91/31/96/932913196.db2.gz VHFZKENROZCMBH-MRXNPFEDSA-N 0 1 381.473 3.632 20 5 GHBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC000931930605 934767984 /nfs/dbraw/zinc/76/79/84/934767984.db2.gz WVCCUOOGOMTTQQ-ZVGUJKQYSA-N 0 1 376.416 3.979 20 5 GHBDMN CC(=C(O)Nc1nc(-c2cccc(Cl)c2)ns1)c1cccc([N+](=O)[O-])c1 ZINC000562400449 934851716 /nfs/dbraw/zinc/85/17/16/934851716.db2.gz YQNMLLIQPAEQLZ-JTQLQIEISA-N 0 1 388.836 3.931 20 5 GHBDMN O=C([O-])[C@H]1CCCN(c2ccc(C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C3CC3)o2)C1 ZINC001594919007 954789949 /nfs/dbraw/zinc/78/99/49/954789949.db2.gz YJWBDELPNHMJQU-INIZCTEOSA-N 0 1 399.447 3.653 20 5 GHBDMN O=C([O-])[C@H]1CCCN(c2ccc(C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C3CC3)o2)C1 ZINC001594919007 954789961 /nfs/dbraw/zinc/78/99/61/954789961.db2.gz YJWBDELPNHMJQU-INIZCTEOSA-N 0 1 399.447 3.653 20 5 GHBDMN CCOc1cc(NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)ccc1OC ZINC001625974511 1014605907 /nfs/dbraw/zinc/60/59/07/1014605907.db2.gz OLMXUVFGNBZGJQ-UHFFFAOYSA-N 0 1 382.376 3.645 20 5 GHBDMN C[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001598436398 991828433 /nfs/dbraw/zinc/82/84/33/991828433.db2.gz FURHCAYRIFOQEM-HOTGVXAUSA-N 0 1 399.230 3.693 20 5 GHBDMN C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001594267378 999036979 /nfs/dbraw/zinc/03/69/79/999036979.db2.gz XGUREBFJCLTFHN-CJNGLKHVSA-N 0 1 388.395 3.575 20 5 GHBDMN COc1cncc(CNC(=O)[C@@H](N)Cc2c3ccccc3cc3ccccc32)c1 ZINC001220872043 1032162367 /nfs/dbraw/zinc/16/23/67/1032162367.db2.gz IEOJXIPQPASAFD-QHCPKHFHSA-N 0 1 385.467 3.583 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000192019608 1020841044 /nfs/dbraw/zinc/84/10/44/1020841044.db2.gz GNNBLKCULQQSCT-HKUYNNGSSA-N 0 1 389.839 3.615 20 5 GHBDMN CC(C)(C)[C@H]1CCN(CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)C1 ZINC000795451520 1021068645 /nfs/dbraw/zinc/06/86/45/1021068645.db2.gz PNCJBXILXKMZNF-LBPRGKRZSA-N 0 1 396.285 3.639 20 5 GHBDMN Cc1ccc(C=CS(=O)(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)cc1 ZINC000754827964 1022917783 /nfs/dbraw/zinc/91/77/83/1022917783.db2.gz QHLVOGKRPSMSKL-KTKRTIGZSA-N 0 1 384.417 3.706 20 5 GHBDMN CCOc1cc(CN2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000755047825 1023043312 /nfs/dbraw/zinc/04/33/12/1023043312.db2.gz KDNIFCFQIXHAPZ-ZBFHGGJFSA-N 0 1 393.484 3.729 20 5 GHBDMN C[NH+]1C(C)(C)CC(Oc2nc(C(F)(F)F)cc([O-])c2[N+](=O)[O-])CC1(C)C ZINC001228859971 1033143306 /nfs/dbraw/zinc/14/33/06/1033143306.db2.gz PHUXXXIWRMHIDT-UHFFFAOYSA-N 0 1 377.363 3.744 20 5 GHBDMN CN1CCN(c2ccc(NCc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)nc2)CC1 ZINC001461084379 1069380491 /nfs/dbraw/zinc/38/04/91/1069380491.db2.gz XGTZWLXAKYSNMU-UHFFFAOYSA-N 0 1 393.447 3.614 20 5 GHBDMN Cc1ccc(C(=O)NCc2cccnc2)cc1Nc1ccc(O)c([N+](=O)[O-])c1 ZINC001210397802 1027488431 /nfs/dbraw/zinc/48/84/31/1027488431.db2.gz IIQCWLOQHBQSRR-UHFFFAOYSA-N 0 1 378.388 3.677 20 5 GHBDMN COc1cc([N+](=O)[O-])c(-c2nc(-c3ccc(Cl)c(OC)c3)no2)cc1O ZINC001216343400 1029609444 /nfs/dbraw/zinc/60/94/44/1029609444.db2.gz AHNJDOMCBVRSRV-UHFFFAOYSA-N 0 1 377.740 3.688 20 5 GHBDMN COc1cc(Cl)cc(-c2noc(-c3cc(O)c(OC)cc3[N+](=O)[O-])n2)c1 ZINC001216343579 1029609607 /nfs/dbraw/zinc/60/96/07/1029609607.db2.gz LKGWFNJBQITSAR-UHFFFAOYSA-N 0 1 377.740 3.688 20 5 GHBDMN COc1cc([N+](=O)[O-])c(-c2nc(-c3cc(F)c(F)c(F)c3F)no2)cc1O ZINC001216343738 1029609667 /nfs/dbraw/zinc/60/96/67/1029609667.db2.gz SMEWFXWAYUPIQQ-UHFFFAOYSA-N 0 1 385.229 3.582 20 5 GHBDMN COc1cc([N+](=O)[O-])c(-c2nc(-c3cc(F)c(Cl)cc3F)no2)cc1O ZINC001216343647 1029609841 /nfs/dbraw/zinc/60/98/41/1029609841.db2.gz PBDFGNITQKDDFD-UHFFFAOYSA-N 0 1 383.694 3.958 20 5 GHBDMN COc1cc(C(=O)N2CCN(Cc3ccccc3)[C@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC001461593550 1069627889 /nfs/dbraw/zinc/62/78/89/1069627889.db2.gz BBLJEWRASQLMGG-FQEVSTJZSA-N 0 1 397.475 3.586 20 5 GHBDMN Cc1ccc(C(=O)c2cc([O-])c(O[C@@H](C)C3CC[NH2+]CC3)c([N+](=O)[O-])c2)cc1 ZINC001218003454 1030716220 /nfs/dbraw/zinc/71/62/20/1030716220.db2.gz VGOQJJWRQFJWRI-AWEZNQCLSA-N 0 1 384.432 3.607 20 5 GHBDMN O=[N+]([O-])c1ccc(OCCO[C@@H]2CCN(Cc3ccccc3Cl)C2)cc1 ZINC001224778053 1031115158 /nfs/dbraw/zinc/11/51/58/1031115158.db2.gz JCBWVGSCKHJIED-GOSISDBHSA-N 0 1 376.840 3.918 20 5 GHBDMN O=[N+]([O-])c1ccc(F)c(F)c1OC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC001225963459 1031719424 /nfs/dbraw/zinc/71/94/24/1031719424.db2.gz RYQDNXFRTWYXIH-HNNXBMFYSA-N 0 1 378.375 3.543 20 5 GHBDMN CCC(=O)c1cc(Br)cc([N+](=O)[O-])c1O[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001229248263 1033367359 /nfs/dbraw/zinc/36/73/59/1033367359.db2.gz SFKLTEDYQITZLH-ITGUQSILSA-N 0 1 397.269 3.954 20 5 GHBDMN CCC(=O)c1cc(Br)cc([N+](=O)[O-])c1O[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001229248260 1033367524 /nfs/dbraw/zinc/36/75/24/1033367524.db2.gz SFKLTEDYQITZLH-CLLJXQQHSA-N 0 1 397.269 3.954 20 5 GHBDMN CC(=O)Cc1c(F)c(O[C@H]2CN(Cc3ccccc3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC001230795809 1034230656 /nfs/dbraw/zinc/23/06/56/1034230656.db2.gz BSUDGPNFPLXWBC-XOBRGWDASA-N 0 1 386.423 3.765 20 5 GHBDMN Cc1[nH]c2ccccc2c1SCCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001159966045 1034807002 /nfs/dbraw/zinc/80/70/02/1034807002.db2.gz HIQGMKUTVLWXAV-UHFFFAOYSA-N 0 1 395.444 3.783 20 5 GHBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)[C@H]1CCC[C@@H]1Cc1ccccc1 ZINC001160727372 1035045534 /nfs/dbraw/zinc/04/55/34/1035045534.db2.gz NCWBCHQDWUXWSP-QAPCUYQASA-N 0 1 391.431 3.977 20 5 GHBDMN Cc1cncnc1O[C@@H]1CCCN(Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232225522 1035172145 /nfs/dbraw/zinc/17/21/45/1035172145.db2.gz CYYWKFIXFBBAAP-HXUWFJFHSA-N 0 1 385.471 3.925 20 5 GHBDMN CN1CCN(c2ccc([N+](=O)[O-])c(NC(=O)NC(C)(C)CC(C)(C)C)c2)CC1 ZINC001209686429 1035356007 /nfs/dbraw/zinc/35/60/07/1035356007.db2.gz XSSQUAGVDUTJBX-UHFFFAOYSA-N 0 1 391.516 3.683 20 5 GHBDMN c1ccc2c(c1)cc(-c1nc3c(c(N4CCOCC4)n1)CNC3)c1ccccc21 ZINC001241131479 1035518859 /nfs/dbraw/zinc/51/88/59/1035518859.db2.gz AHTKWNAEGOBHNN-UHFFFAOYSA-N 0 1 382.467 3.890 20 5 GHBDMN C[C@H](C[N+](C)(C)C)Oc1cc(C(=O)OC(C)(C)C)cc([O-])c1Br ZINC001233530972 1039416097 /nfs/dbraw/zinc/41/60/97/1039416097.db2.gz PTOQNZZQTGDYHC-LLVKDONJSA-O 0 1 389.310 3.584 20 5 GHBDMN COc1cc(CC[N+](=O)[O-])ccc1O[C@H]1CCN(Cc2ccccc2Cl)C1 ZINC001233985529 1039744977 /nfs/dbraw/zinc/74/49/77/1039744977.db2.gz ZPHLATNBHFMXTM-KRWDZBQOSA-N 0 1 390.867 3.821 20 5 GHBDMN O=C(N[C@H](c1cccc(Cl)c1)C(F)F)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001462421636 1070241505 /nfs/dbraw/zinc/24/15/05/1070241505.db2.gz BWMVXKQUOHKOQC-CYBMUJFWSA-N 0 1 380.738 3.861 20 5 GHBDMN CC(C)=CCc1c(O)cc2oc3ccc(O)cc3c(=O)c2c1OC1COCOC1 ZINC001234741259 1040268156 /nfs/dbraw/zinc/26/81/56/1040268156.db2.gz RDMDZWNFRFHNES-UHFFFAOYSA-N 0 1 398.411 3.618 20 5 GHBDMN CC(C)=CCc1c(O)cc2oc3ccc(O)cc3c(=O)c2c1O[C@H](C)CON ZINC001234744073 1040270236 /nfs/dbraw/zinc/27/02/36/1040270236.db2.gz JVJWJTSDCFLWAT-GFCCVEGCSA-N 0 1 385.416 3.524 20 5 GHBDMN Cc1ccc(CC2CCN(C(=O)c3[nH]nc4ccc([N+](=O)[O-])cc43)CC2)cc1 ZINC001254525618 1040298105 /nfs/dbraw/zinc/29/81/05/1040298105.db2.gz ZAJGSDPJXKCVMM-UHFFFAOYSA-N 0 1 378.432 3.874 20 5 GHBDMN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCC[C@](C)(NC(=O)OC(C)(C)C)C1 ZINC001254549901 1040317643 /nfs/dbraw/zinc/31/76/43/1040317643.db2.gz ADXOTNPQMMPESQ-QRWLVFNGSA-N 0 1 377.485 3.905 20 5 GHBDMN COc1cc(N2CCC(N3CCC[C@@H]3c3nccs3)CC2)ccc1[N+](=O)[O-] ZINC001256100442 1041526960 /nfs/dbraw/zinc/52/69/60/1041526960.db2.gz IUYNPJKBXDTHNF-QGZVFWFLSA-N 0 1 388.493 3.866 20 5 GHBDMN O=S(=O)(CCc1cccc(F)c1)Nc1cccc2nc3ccccc3nc21 ZINC001259773054 1045297153 /nfs/dbraw/zinc/29/71/53/1045297153.db2.gz DZVFBLVSALAWKQ-UHFFFAOYSA-N 0 1 381.432 3.907 20 5 GHBDMN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]2C[C@H]1CN2Cc1ccccc1 ZINC001301750896 1046682518 /nfs/dbraw/zinc/68/25/18/1046682518.db2.gz HNPISIVVVRJMDC-HJNYFJLDSA-N 0 1 393.487 3.649 20 5 GHBDMN C[C@H](C(=O)N1C[C@H](C)N(Cc2ccccc2)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC001266225369 1047719450 /nfs/dbraw/zinc/71/94/50/1047719450.db2.gz MGEWXZQOCPBWNX-ULQDDVLXSA-N 0 1 399.466 3.959 20 5 GHBDMN O=[N+]([O-])c1c(Br)cccc1N1CCN(CCc2ccccc2)CC1 ZINC001306922748 1048961187 /nfs/dbraw/zinc/96/11/87/1048961187.db2.gz WLZBHWLDSLJMTH-UHFFFAOYSA-N 0 1 390.281 3.722 20 5 GHBDMN CN1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H]1Cc1ccccc1 ZINC001307115720 1049084541 /nfs/dbraw/zinc/08/45/41/1049084541.db2.gz VASUTXOLTJECHI-MRXNPFEDSA-N 0 1 379.382 3.977 20 5 GHBDMN O=[N+]([O-])c1cc(Br)ccc1CSc1nc(-c2ccccn2)n[nH]1 ZINC001307247624 1049163013 /nfs/dbraw/zinc/16/30/13/1049163013.db2.gz GGFLGQWYSJGBNA-UHFFFAOYSA-N 0 1 392.238 3.830 20 5 GHBDMN O=[N+]([O-])c1cccnc1N1CCN(CCCc2cccc3ccccc32)CC1 ZINC001307821251 1049616064 /nfs/dbraw/zinc/61/60/64/1049616064.db2.gz VTIVSPHMTDMHHE-UHFFFAOYSA-N 0 1 376.460 3.898 20 5 GHBDMN COC[C@@H](C)N(Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])[C@@H]1CCc2ccccc21 ZINC001307976678 1049735177 /nfs/dbraw/zinc/73/51/77/1049735177.db2.gz VDGXREBZSAGJCT-QVKFZJNVSA-N 0 1 398.459 3.906 20 5 GHBDMN C[N@@H+](Cc1cc([O-])ccc1[N+](=O)[O-])C1(CNC(=O)OC(C)(C)C)CCCCC1 ZINC001308044994 1049794662 /nfs/dbraw/zinc/79/46/62/1049794662.db2.gz UGKMTHONXPHHQR-UHFFFAOYSA-N 0 1 393.484 3.960 20 5 GHBDMN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1CCC[C@H]1Cc1ccccc1 ZINC001290468460 1049848306 /nfs/dbraw/zinc/84/83/06/1049848306.db2.gz ILHPGJZZAFJUBH-SFHVURJKSA-N 0 1 376.416 3.832 20 5 GHBDMN C[C@@]1(c2ccccc2)CC[C@@H](N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001308571313 1050014681 /nfs/dbraw/zinc/01/46/81/1050014681.db2.gz SJWDIBHQBBEUPY-FYYLOGMGSA-N 0 1 393.487 3.863 20 5 GHBDMN C[C@H](NC(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC001335694076 1052152128 /nfs/dbraw/zinc/15/21/28/1052152128.db2.gz ADDCHBXNZBFHRW-FASAQXTFSA-N 0 1 386.427 3.540 20 5 GHBDMN CC[C@H](NC(=O)N1CC(N(C)Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC001312433408 1052741303 /nfs/dbraw/zinc/74/13/03/1052741303.db2.gz OAEMVNSOPXAGJN-FQEVSTJZSA-N 0 1 382.464 3.572 20 5 GHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC(Cc2c(F)cccc2Cl)C1 ZINC001319183484 1055083973 /nfs/dbraw/zinc/08/39/73/1055083973.db2.gz HXIPSPWQYILIOU-UHFFFAOYSA-N 0 1 388.786 3.578 20 5 GHBDMN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC001320876732 1055996825 /nfs/dbraw/zinc/99/68/25/1055996825.db2.gz QLKWBAXVJARPPO-NSHDSACASA-N 0 1 393.875 3.728 20 5 GHBDMN CC(C)(C)c1nc2ccc(NC(=O)COc3ccc([N+](=O)[O-])c(F)c3)cc2[nH]1 ZINC001322436449 1056702786 /nfs/dbraw/zinc/70/27/86/1056702786.db2.gz SKNCJRXNICHQQY-UHFFFAOYSA-N 0 1 386.383 3.925 20 5 GHBDMN Cc1c(C(=O)OCc2ccc([N+](=O)[O-])cc2Br)ccc2cncn21 ZINC001323714969 1057004105 /nfs/dbraw/zinc/00/41/05/1057004105.db2.gz HQFODDQBPCRPKW-UHFFFAOYSA-N 0 1 390.193 3.670 20 5 GHBDMN O=C(OCc1ccc([N+](=O)[O-])cc1Br)[C@@H]1CCCN1C1CCCC1 ZINC001324815901 1057232067 /nfs/dbraw/zinc/23/20/67/1057232067.db2.gz SKBKICNTFJYQEI-INIZCTEOSA-N 0 1 397.269 3.808 20 5 GHBDMN O=C(Nc1ccc(OCCc2ccccc2)nc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC001443963677 1059241301 /nfs/dbraw/zinc/24/13/01/1059241301.db2.gz LJAOIVNKTAXIOF-UHFFFAOYSA-N 0 1 379.372 3.569 20 5 GHBDMN CNc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(-c2ccc(C=O)o2)ccc1O ZINC001452185731 1060911880 /nfs/dbraw/zinc/91/18/80/1060911880.db2.gz RZZXWQQTZWGYFS-UHFFFAOYSA-N 0 1 381.344 3.667 20 5 GHBDMN Cc1c(C(=O)O[C@H](c2cccnc2)c2ccccc2[N+](=O)[O-])ccc2cncn21 ZINC001347153829 1062168993 /nfs/dbraw/zinc/16/89/93/1062168993.db2.gz SFYLYBNXJQGIIK-HXUWFJFHSA-N 0 1 388.383 3.892 20 5 GHBDMN CN(C)[C@H](CNc1ncnc2c(Cl)cc([N+](=O)[O-])cc12)c1ccsc1 ZINC001347758282 1062632782 /nfs/dbraw/zinc/63/27/82/1062632782.db2.gz BWFDQUGVXUBIDO-CQSZACIVSA-N 0 1 377.857 3.968 20 5 GHBDMN Cc1ccc(CSc2nc(NC(=O)c3ccc([N+](=O)[O-])s3)n[nH]2)cc1 ZINC001457165680 1062995290 /nfs/dbraw/zinc/99/52/90/1062995290.db2.gz YORKHDHVFIOZHY-UHFFFAOYSA-N 0 1 375.435 3.627 20 5 GHBDMN Cc1cccc(CN2CCCC[C@H]2C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001457571295 1063255359 /nfs/dbraw/zinc/25/53/59/1063255359.db2.gz FKBKRLINNCMCPN-QFIPXVFZSA-N 0 1 393.487 3.843 20 5 GHBDMN COc1ccc(CN2CC[C@@H]2CNc2ccc3cnccc3c2[N+](=O)[O-])cc1 ZINC001458500302 1063850406 /nfs/dbraw/zinc/85/04/06/1063850406.db2.gz XGPWVYDZCPQNIE-QGZVFWFLSA-N 0 1 378.432 3.838 20 5 GHBDMN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCN([C@H](C)c2ccccc2)CC1 ZINC001458564300 1063894177 /nfs/dbraw/zinc/89/41/77/1063894177.db2.gz QBLBIBZZYMKULQ-MRXNPFEDSA-N 0 1 383.448 3.573 20 5 GHBDMN C[C@@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])[C@H]1CNC(=O)OC(C)(C)C ZINC001459611680 1064143193 /nfs/dbraw/zinc/14/31/93/1064143193.db2.gz TUEHONZFUFTRHR-WBVHZDCISA-N 0 1 393.484 3.599 20 5 GHBDMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC001467535896 1067347216 /nfs/dbraw/zinc/34/72/16/1067347216.db2.gz WDTPJGVJBPZYFR-UHFFFAOYSA-N 0 1 378.860 3.860 20 5 GHBDMN CC1(C)CCC[C@@H]1[C@H]1CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001460299078 1068913233 /nfs/dbraw/zinc/91/32/33/1068913233.db2.gz RHKIZIPENAERAG-MAUKXSAKSA-N 0 1 380.510 3.517 20 5 GHBDMN CC(C)(NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1nc2cc(Cl)ccc2o1 ZINC001460617253 1069034178 /nfs/dbraw/zinc/03/41/78/1069034178.db2.gz HTNWWIIVPILHEW-OAHLLOKOSA-N 0 1 375.812 3.948 20 5 GHBDMN Cc1ncc([N+](=O)[O-])n1CCN(C)Cc1ccccc1OCc1ccccc1 ZINC001460624177 1069038717 /nfs/dbraw/zinc/03/87/17/1069038717.db2.gz XJDPYTIWGXOAEB-UHFFFAOYSA-N 0 1 380.448 3.811 20 5 GHBDMN O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1NCc1nc2ccc(Cl)cc2[nH]1 ZINC001472801786 1073672526 /nfs/dbraw/zinc/67/25/26/1073672526.db2.gz HOIJUVURJDGZRB-UHFFFAOYSA-N 0 1 385.811 3.629 20 5 GHBDMN CN(Cc1ccc(Br)cc1[N+](=O)[O-])C[C@@]1(O)CCc2ccccc21 ZINC001473577058 1074026114 /nfs/dbraw/zinc/02/61/14/1074026114.db2.gz PJKMPFOHTGIILT-SFHVURJKSA-N 0 1 391.265 3.623 20 5 GHBDMN COC[C@H](C)N(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@H]1CCc2ccccc21 ZINC001473691151 1074089802 /nfs/dbraw/zinc/08/98/02/1074089802.db2.gz DJOZADHLQLKCTA-KKSFZXQISA-N 0 1 397.475 3.866 20 5 GHBDMN CCOC(=O)[C@@H]1[C@H](C)C[C@H](C)[N@@H+](Cc2ccc([N+](=O)[O-])c(OCC)c2)[C@H]1C ZINC001473880800 1074188904 /nfs/dbraw/zinc/18/89/04/1074188904.db2.gz BXPWLBMOKTXQHQ-MMMWYMCRSA-N 0 1 378.469 3.792 20 5 GHBDMN C[C@@H]1Cc2cc(CNCc3ccc(Br)cc3[N+](=O)[O-])ccc2O1 ZINC001474248854 1074310125 /nfs/dbraw/zinc/31/01/25/1074310125.db2.gz TVBZEJBOFCFCRZ-LLVKDONJSA-N 0 1 377.238 3.971 20 5 GHBDMN COc1c(O)ccc(CN2CCC[C@H](c3cncn3C(C)(C)C)C2)c1[N+](=O)[O-] ZINC001474755849 1074546945 /nfs/dbraw/zinc/54/69/45/1074546945.db2.gz VSIAWUUJGCQMCA-AWEZNQCLSA-N 0 1 388.468 3.640 20 5 GHBDMN CC[C@@H](NS(=O)(=O)c1cc(C)sc1[N+](=O)[O-])c1cc(F)ccc1OC ZINC001475699832 1075001979 /nfs/dbraw/zinc/00/19/79/1075001979.db2.gz BNARXKPYDWYHRR-GFCCVEGCSA-N 0 1 388.442 3.542 20 5 GHBDMN C[C@](CO)(Cc1ccc(F)cc1)NCc1c(Br)cccc1[N+](=O)[O-] ZINC001560182375 1126208416 /nfs/dbraw/zinc/20/84/16/1126208416.db2.gz CLMONSUAXIIAAL-QGZVFWFLSA-N 0 1 397.244 3.580 20 5 GHBDMN C[C@@]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])(C(=O)[O-])c1cccc(Br)c1 ZINC000736664227 600080355 /nfs/dbraw/zinc/08/03/55/600080355.db2.gz LSDJCFHOOCPMSW-INIZCTEOSA-N 0 1 397.200 3.586 20 5 GHBDMN O=C(CCN1CC[C@@H](Oc2ccccc2Cl)C1)Nc1ccccc1[N+](=O)[O-] ZINC000128213450 834675168 /nfs/dbraw/zinc/67/51/68/834675168.db2.gz FNDDJLPIBDJHTR-CQSZACIVSA-N 0 1 389.839 3.730 20 5 GHBDMN Cc1ccc([C@@H](C)NC(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)cc1[N+](=O)[O-] ZINC000163239192 834706475 /nfs/dbraw/zinc/70/64/75/834706475.db2.gz HYTNDSNTZHEFNS-CZUORRHYSA-N 0 1 398.467 3.549 20 5 GHBDMN COc1ccc(-c2ccc(CNCc3ccc(NC(N)=O)cc3)o2)c([N+](=O)[O-])c1 ZINC000102421127 835371036 /nfs/dbraw/zinc/37/10/36/835371036.db2.gz COEYSJHSUILEGO-UHFFFAOYSA-N 0 1 396.403 3.644 20 5 GHBDMN Cc1cc(F)cc(C(=O)Nc2nnc(Cc3cccc(F)c3)s2)c1[N+](=O)[O-] ZINC000176807002 835453865 /nfs/dbraw/zinc/45/38/65/835453865.db2.gz IFJISHOCWVTJTH-UHFFFAOYSA-N 0 1 390.371 3.876 20 5 GHBDMN COc1ccccc1[C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)N1CCCCC1 ZINC000511247720 835694360 /nfs/dbraw/zinc/69/43/60/835694360.db2.gz OJQWYZYINOBVQK-IBGZPJMESA-N 0 1 398.463 3.952 20 5 GHBDMN Cc1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1-n1cccc1 ZINC000728608749 835987240 /nfs/dbraw/zinc/98/72/40/835987240.db2.gz SRQFYMMLYRCRFP-UHFFFAOYSA-N 0 1 388.387 3.731 20 5 GHBDMN COc1cccc(CC2CCN(C(=O)c3n[nH]c(C(C)C)c3[N+](=O)[O-])CC2)c1 ZINC000612335046 836080595 /nfs/dbraw/zinc/08/05/95/836080595.db2.gz AWHWTPCLHRTGLH-UHFFFAOYSA-N 0 1 386.452 3.545 20 5 GHBDMN Cn1c2ccccc2nc1[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411379413 836142233 /nfs/dbraw/zinc/14/22/33/836142233.db2.gz AVJIZXPUZJAGFI-IBGZPJMESA-N 0 1 393.447 3.647 20 5 GHBDMN Cn1c2ccccc2nc1[C@@H]1CCCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411379413 836142240 /nfs/dbraw/zinc/14/22/40/836142240.db2.gz AVJIZXPUZJAGFI-IBGZPJMESA-N 0 1 393.447 3.647 20 5 GHBDMN CC(C)Oc1cc(C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C2CC2)ccn1 ZINC000411400751 836152041 /nfs/dbraw/zinc/15/20/41/836152041.db2.gz KYFDRXAQKPCTGH-UHFFFAOYSA-N 0 1 398.463 3.770 20 5 GHBDMN COc1ccc2c(c1)CC[C@@H](N[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)C2 ZINC000612402232 836178074 /nfs/dbraw/zinc/17/80/74/836178074.db2.gz UMBQIIGLAZEILO-NQIIRXRSSA-N 0 1 392.459 3.573 20 5 GHBDMN Cc1[nH]ncc1C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CC1 ZINC000375923604 836225791 /nfs/dbraw/zinc/22/57/91/836225791.db2.gz XAJVAPIHRDOCLW-UHFFFAOYSA-N 0 1 397.479 3.636 20 5 GHBDMN COc1ccc(-c2n[nH]c(SCc3cccc([N+](=O)[O-])c3C)n2)c(OC)c1 ZINC000066000046 836479601 /nfs/dbraw/zinc/47/96/01/836479601.db2.gz MMANPPLHPJXZSA-UHFFFAOYSA-N 0 1 386.433 3.998 20 5 GHBDMN Cc1ccc([C@H](C)NC(=O)NC[C@@H](c2cccc(F)c2)N(C)C)cc1[N+](=O)[O-] ZINC000175570665 836710830 /nfs/dbraw/zinc/71/08/30/836710830.db2.gz GLDCWHYSFCDWIO-LIRRHRJNSA-N 0 1 388.443 3.705 20 5 GHBDMN CC[C@H](NCC(=O)Nc1c(C)cccc1[N+](=O)[O-])c1ccc(OC)c(OC)c1 ZINC000510236761 836906522 /nfs/dbraw/zinc/90/65/22/836906522.db2.gz CNGBSOHLMKFBLV-HNNXBMFYSA-N 0 1 387.436 3.600 20 5 GHBDMN CC[C@@H](N[C@@H](C)CS(=O)(=O)c1ccc(C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000120146917 837008278 /nfs/dbraw/zinc/00/82/78/837008278.db2.gz WOKFADUOVQNAQS-HNAYVOBHSA-N 0 1 376.478 3.806 20 5 GHBDMN Cc1cc(S(=O)(=O)Nc2ccc(F)cc2C(F)(F)F)ccc1[N+](=O)[O-] ZINC000175870651 837039499 /nfs/dbraw/zinc/03/94/99/837039499.db2.gz OFCDLURISAEGIN-UHFFFAOYSA-N 0 1 378.303 3.862 20 5 GHBDMN COc1cccc([C@H]2[C@H](NC(=O)Nc3ccc([N+](=O)[O-])cc3)CCN2C2CC2)c1 ZINC000180065345 837058829 /nfs/dbraw/zinc/05/88/29/837058829.db2.gz PDONVOIERWDZCT-UXHICEINSA-N 0 1 396.447 3.703 20 5 GHBDMN CN(CC(C)(C)O)[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000177728600 837079820 /nfs/dbraw/zinc/07/98/20/837079820.db2.gz XWGPXPBDFYACLW-KRWDZBQOSA-N 0 1 391.855 3.631 20 5 GHBDMN Cc1nc2ccc(NC(=O)c3cc(OCC(F)(F)F)ccc3[N+](=O)[O-])cc2[nH]1 ZINC000052242952 844233466 /nfs/dbraw/zinc/23/34/66/844233466.db2.gz LOTDKHNQBIPPTC-UHFFFAOYSA-N 0 1 394.309 3.973 20 5 GHBDMN COc1ccc([C@H](NC(=O)CN[C@H](C)c2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000180453588 837279882 /nfs/dbraw/zinc/27/98/82/837279882.db2.gz ZEVZVBHHGJSKGE-SPLOXXLWSA-N 0 1 383.448 3.522 20 5 GHBDMN Cc1ccc([C@H](C)NCc2ccc(S(=O)(=O)C(C)C)cc2)cc1[N+](=O)[O-] ZINC000541024142 837853956 /nfs/dbraw/zinc/85/39/56/837853956.db2.gz KPYUQZRHCYKBQR-HNNXBMFYSA-N 0 1 376.478 3.936 20 5 GHBDMN O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000181362127 838000377 /nfs/dbraw/zinc/00/03/77/838000377.db2.gz CSYCBCMNUNVNIY-AWEZNQCLSA-N 0 1 395.394 3.539 20 5 GHBDMN O=[N+]([O-])c1ccc(C(F)(F)F)c(-c2nc(-c3ccn4cncc4c3)no2)c1 ZINC000584425021 838143467 /nfs/dbraw/zinc/14/34/67/838143467.db2.gz CTOXPVDHYCHCKT-UHFFFAOYSA-N 0 1 375.266 3.978 20 5 GHBDMN O=C(NC[C@H](c1ccco1)N1CCCC1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000128381834 838290791 /nfs/dbraw/zinc/29/07/91/838290791.db2.gz RYXZVFVHAAWOEL-LJQANCHMSA-N 0 1 398.463 3.699 20 5 GHBDMN CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000584550758 838343016 /nfs/dbraw/zinc/34/30/16/838343016.db2.gz DXDZOTWOQJQMTA-IYBDPMFKSA-N 0 1 389.496 3.513 20 5 GHBDMN CC[C@@](C)(O)CN(Cc1ccccc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000189735122 838391954 /nfs/dbraw/zinc/39/19/54/838391954.db2.gz WVUCATDOSHZZPP-OAQYLSRUSA-N 0 1 386.448 3.625 20 5 GHBDMN CCc1[nH]nc(C(=O)N(Cc2ccccc2C(F)(F)F)C2CC2)c1[N+](=O)[O-] ZINC000188150318 838557011 /nfs/dbraw/zinc/55/70/11/838557011.db2.gz YPBKTAMMVIOHKH-UHFFFAOYSA-N 0 1 382.342 3.704 20 5 GHBDMN O=C(CCN1CCC(C(=O)c2cccs2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000365788365 838973217 /nfs/dbraw/zinc/97/32/17/838973217.db2.gz SQDXMKXEZHQNLJ-UHFFFAOYSA-N 0 1 387.461 3.580 20 5 GHBDMN C[C@H](Nc1ccc(-c2nc(C3(N)CCCC3)no2)cc1[N+](=O)[O-])c1ccccn1 ZINC000261890577 839844157 /nfs/dbraw/zinc/84/41/57/839844157.db2.gz XJCGPJOJGWVLQG-ZDUSSCGKSA-N 0 1 394.435 3.941 20 5 GHBDMN O=C(N[C@H](c1ccccc1)[C@@H]1CCCc2ccccc21)c1n[nH]cc1[N+](=O)[O-] ZINC000120292222 840235497 /nfs/dbraw/zinc/23/54/97/840235497.db2.gz ZDUFBERVDOQOAJ-IEBWSBKVSA-N 0 1 376.416 3.909 20 5 GHBDMN CC[C@H](CS(=O)(=O)c1ccccc1)N[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000181659334 840630253 /nfs/dbraw/zinc/63/02/53/840630253.db2.gz XFFZWYKUEWEUKK-HZPDHXFCSA-N 0 1 376.478 3.806 20 5 GHBDMN CS(=O)(=O)c1ccc(CN[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)s1 ZINC000417316053 840700034 /nfs/dbraw/zinc/70/00/34/840700034.db2.gz ALGABIPDIGYWFR-INIZCTEOSA-N 0 1 380.491 3.617 20 5 GHBDMN CCS(=O)(=O)c1ccc(CN[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000417316239 840700058 /nfs/dbraw/zinc/70/00/58/840700058.db2.gz DZJIATSREHREJQ-HXUWFJFHSA-N 0 1 388.489 3.946 20 5 GHBDMN O=C(CN[C@@H]1CCCCc2ccc([N+](=O)[O-])cc21)N[C@@H]1CCOc2ccccc21 ZINC000417330580 840731891 /nfs/dbraw/zinc/73/18/91/840731891.db2.gz KZZALMMIHNQPCP-WOJBJXKFSA-N 0 1 395.459 3.592 20 5 GHBDMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000047366962 840765738 /nfs/dbraw/zinc/76/57/38/840765738.db2.gz AQOIEZGUJYYZPR-INIZCTEOSA-N 0 1 397.479 3.538 20 5 GHBDMN COc1ccc(NC(=O)CN[C@H](C)c2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000120581603 844576076 /nfs/dbraw/zinc/57/60/76/844576076.db2.gz XRXZRIHTBAQHKD-LLVKDONJSA-N 0 1 397.353 3.912 20 5 GHBDMN Cc1ccc([C@H](C)NCCS(=O)(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000177969019 841033938 /nfs/dbraw/zinc/03/39/38/841033938.db2.gz VCLGTLZCVCOMDU-ZDUSSCGKSA-N 0 1 382.869 3.681 20 5 GHBDMN Cc1ccc(CNCc2cc(Br)cc3c2OCC3)cc1[N+](=O)[O-] ZINC000322114444 844606315 /nfs/dbraw/zinc/60/63/15/844606315.db2.gz KEKJVZWFVUPSAU-UHFFFAOYSA-N 0 1 377.238 3.890 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)Cc1ccc(F)cc1Cl ZINC000107063696 841176803 /nfs/dbraw/zinc/17/68/03/841176803.db2.gz JUTMECCBZKOUGD-UHFFFAOYSA-N 0 1 395.818 3.857 20 5 GHBDMN O=C(CCN(Cc1ccccc1[N+](=O)[O-])C1CC1)N1CCc2sccc2C1 ZINC000135219145 841383800 /nfs/dbraw/zinc/38/38/00/841383800.db2.gz ANUQBXMXUMGYER-UHFFFAOYSA-N 0 1 385.489 3.596 20 5 GHBDMN Cc1coc(-c2ccc(C)c(NS(=O)(=O)c3ccc([N+](=O)[O-])c(C)c3)c2)n1 ZINC000178037876 841550879 /nfs/dbraw/zinc/55/08/79/841550879.db2.gz OHZWOSKJYZVEFV-UHFFFAOYSA-N 0 1 387.417 3.976 20 5 GHBDMN COc1ccc(OC)c([C@@H](O)CNc2cc(C)nc3ccc([N+](=O)[O-])cc32)c1 ZINC000302142669 861219674 /nfs/dbraw/zinc/21/96/74/861219674.db2.gz FVODCGPNUOIEQG-IBGZPJMESA-N 0 1 383.404 3.614 20 5 GHBDMN CCC[C@H](C)NC(=O)[C@H]1CCCN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)C1 ZINC000302153436 861222174 /nfs/dbraw/zinc/22/21/74/861222174.db2.gz IFRVYXLIMZMLOO-HOCLYGCPSA-N 0 1 384.480 3.973 20 5 GHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(-c3cn4c(n3)CCCC4)cc2)cc1 ZINC000108639576 841666873 /nfs/dbraw/zinc/66/68/73/841666873.db2.gz UUSKAUGJULFBTM-UHFFFAOYSA-N 0 1 398.444 3.595 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2ccc(CN3CC[C@H]4CC[C@@H](C3)[S@@]4=O)o2)c(Cl)c1 ZINC000600209911 861251732 /nfs/dbraw/zinc/25/17/32/861251732.db2.gz XQHMKXKWHXIKPH-CFAZGSRYSA-N 0 1 394.880 3.994 20 5 GHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)NCC[C@@H](c2ccccc2)C(F)(F)F)s1 ZINC000432295546 842570018 /nfs/dbraw/zinc/57/00/18/842570018.db2.gz BUCDWTMFPQSKAH-NSHDSACASA-N 0 1 394.396 3.671 20 5 GHBDMN COC(=O)/C=C\c1ccc(NCc2ccc(F)c(CN(C)C)c2)c([N+](=O)[O-])c1 ZINC000255379177 842574057 /nfs/dbraw/zinc/57/40/57/842574057.db2.gz ZWPYOOIAINQUAS-TWGQIWQCSA-N 0 1 387.411 3.594 20 5 GHBDMN C[C@H]1CN(c2ccc(CN[C@@H]3CC(C)(C)c4ccc([N+](=O)[O-])cc43)cn2)CCO1 ZINC000279108354 842599196 /nfs/dbraw/zinc/59/91/96/842599196.db2.gz OZSNZZICUHWPMU-MGPUTAFESA-N 0 1 396.491 3.727 20 5 GHBDMN C[C@H](N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000279229543 842740845 /nfs/dbraw/zinc/74/08/45/842740845.db2.gz IZRDTDVRDLIGID-KKBVYLPWSA-N 0 1 384.436 3.643 20 5 GHBDMN COC(=O)COc1ccc(CN[C@H]2CCc3sc(Cl)cc32)cc1[N+](=O)[O-] ZINC000568102428 843047269 /nfs/dbraw/zinc/04/72/69/843047269.db2.gz SRTVHKVXJPUYLD-LBPRGKRZSA-N 0 1 396.852 3.639 20 5 GHBDMN CCOCCCN[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000023994544 843122124 /nfs/dbraw/zinc/12/21/24/843122124.db2.gz SDAFJXWNJUDTTI-GOSISDBHSA-N 0 1 391.855 3.944 20 5 GHBDMN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N[C@@H]3CCCc4cn[nH]c43)cc2[N+](=O)[O-])C1 ZINC000610833655 844644574 /nfs/dbraw/zinc/64/45/74/844644574.db2.gz MGXKSCYODYKDNW-CKEIUWERSA-N 0 1 397.479 3.608 20 5 GHBDMN CCOc1cc(CN[C@H](Cc2nc(C)no2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000277122379 844707936 /nfs/dbraw/zinc/70/79/36/844707936.db2.gz HWHLEDXMFKNXQQ-QGZVFWFLSA-N 0 1 382.420 3.759 20 5 GHBDMN O=C(NC[C@H]1CCCN1Cc1ccccc1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000513216645 845050560 /nfs/dbraw/zinc/05/05/60/845050560.db2.gz GFGFICIEDZNVRS-GOSISDBHSA-N 0 1 379.416 3.735 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2ccc(CN3CCSC[C@@H]3CCO)o2)c(Cl)c1 ZINC000538793551 845612876 /nfs/dbraw/zinc/61/28/76/845612876.db2.gz LAFXYSNMXVBSCN-ZDUSSCGKSA-N 0 1 382.869 3.808 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N2CCc3[nH]c4ccc(Cl)cc4c3C2)c1[N+](=O)[O-] ZINC000433981323 845682848 /nfs/dbraw/zinc/68/28/48/845682848.db2.gz NWDHUZSIIMYZRZ-UHFFFAOYSA-N 0 1 387.827 3.775 20 5 GHBDMN CN1CCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C2(CCCCC2)C1 ZINC000433972905 845697001 /nfs/dbraw/zinc/69/70/01/845697001.db2.gz UPMWKIGFCLZISV-UHFFFAOYSA-N 0 1 385.386 3.704 20 5 GHBDMN CCO[C@H]1C[C@H](N(C)Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C12CCCCC2 ZINC001167540024 846107843 /nfs/dbraw/zinc/10/78/43/846107843.db2.gz UICFAZBVYMRYPU-OALUTQOASA-N 0 1 390.480 3.941 20 5 GHBDMN O=[N+]([O-])c1ccc2[nH]c(CN[C@@]3(Cc4ccc(Cl)cc4)CCOC3)nc2c1 ZINC000502532915 846192559 /nfs/dbraw/zinc/19/25/59/846192559.db2.gz XEZVPFNKBNGWRV-LJQANCHMSA-N 0 1 386.839 3.616 20 5 GHBDMN C[C@H](OC[C@@H](O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000511082798 846461889 /nfs/dbraw/zinc/46/18/89/846461889.db2.gz UTLBCNGATHAGNI-KXBFYZLASA-N 0 1 392.883 3.861 20 5 GHBDMN Cn1c2ccccc2nc1[C@@H]1CCCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000501004485 846535562 /nfs/dbraw/zinc/53/55/62/846535562.db2.gz AMRDOIQVDNHFRY-IBGZPJMESA-N 0 1 393.447 3.647 20 5 GHBDMN Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@@H]2NCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000185942798 846620191 /nfs/dbraw/zinc/62/01/91/846620191.db2.gz WBHRNHLXIHPQIM-PMACEKPBSA-N 0 1 388.489 3.778 20 5 GHBDMN CCCN(CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H](C)CC(=O)Nc1ccccc1 ZINC000502955939 846652196 /nfs/dbraw/zinc/65/21/96/846652196.db2.gz MHTBAKLYSVMEJC-MRXNPFEDSA-N 0 1 398.463 3.663 20 5 GHBDMN Cc1cc(C[C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)n[nH]1 ZINC000161195741 846689460 /nfs/dbraw/zinc/68/94/60/846689460.db2.gz XJFXHOLJIQEBSD-ZDUSSCGKSA-N 0 1 380.404 3.780 20 5 GHBDMN O=C(CSc1nc2ccc(Cl)cc2[nH]1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000016725635 847556462 /nfs/dbraw/zinc/55/64/62/847556462.db2.gz BGWCOMWTDSHXOP-UHFFFAOYSA-N 0 1 388.836 3.806 20 5 GHBDMN Cc1ccc(CN[C@H]2CCN(c3ccccc3C(F)(F)F)C2=O)cc1[N+](=O)[O-] ZINC000479390426 847624103 /nfs/dbraw/zinc/62/41/03/847624103.db2.gz LUCGBPJGVOULNR-HNNXBMFYSA-N 0 1 393.365 3.817 20 5 GHBDMN CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@]3(CCOC3)C2)cc1OC ZINC000611667185 847852274 /nfs/dbraw/zinc/85/22/74/847852274.db2.gz DGRUJKHXZDJMCG-QRWLVFNGSA-N 0 1 378.469 3.641 20 5 GHBDMN CCc1cc(N[C@@H](C)c2n[nH]c([C@@H](C)CC)n2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000486794895 850102187 /nfs/dbraw/zinc/10/21/87/850102187.db2.gz ACGWOUJFOIMUQI-STQMWFEESA-N 0 1 395.467 3.841 20 5 GHBDMN Cc1c(NC(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)cccc1[N+](=O)[O-] ZINC000504601268 850170226 /nfs/dbraw/zinc/17/02/26/850170226.db2.gz IYINTGKSCWVFFE-INIZCTEOSA-N 0 1 389.402 3.999 20 5 GHBDMN O=[N+]([O-])c1ccc2cnn(CN3CCC(CN4CCc5ccccc54)CC3)c2c1 ZINC000732187616 862112625 /nfs/dbraw/zinc/11/26/25/862112625.db2.gz QQBLZPPDLLOZHH-UHFFFAOYSA-N 0 1 391.475 3.677 20 5 GHBDMN COc1ccc(Oc2ccc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)cn2)cc1 ZINC000506654280 850288943 /nfs/dbraw/zinc/28/89/43/850288943.db2.gz IIEUMLGHTOJCHA-UHFFFAOYSA-N 0 1 381.344 3.749 20 5 GHBDMN COC(=O)c1cnc([C@H](C)N[C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])s1 ZINC000424335993 850371691 /nfs/dbraw/zinc/37/16/91/850371691.db2.gz XHDMDJKHBKJPDO-KCQAQPDRSA-N 0 1 389.477 3.900 20 5 GHBDMN O=C(NC[C@@H]1CCCCN1C1CC1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000434447401 851119045 /nfs/dbraw/zinc/11/90/45/851119045.db2.gz UYEGMMHHWVQOCH-HNNXBMFYSA-N 0 1 393.462 3.567 20 5 GHBDMN C[C@@H]1CCCCN1CCNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436119950 851225173 /nfs/dbraw/zinc/22/51/73/851225173.db2.gz UZHWPCVITLGRDP-CYBMUJFWSA-N 0 1 399.441 3.564 20 5 GHBDMN CN(C)CCN(C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1ccccc1 ZINC000436228433 851342606 /nfs/dbraw/zinc/34/26/06/851342606.db2.gz BABLUIUDDGZGEN-UHFFFAOYSA-N 0 1 385.467 3.890 20 5 GHBDMN COc1ccccc1[C@H](CNc1cc(C(F)(F)F)ncc1[N+](=O)[O-])N(C)C ZINC000436271897 851416467 /nfs/dbraw/zinc/41/64/67/851416467.db2.gz RBXBUNFJVSALLH-ZDUSSCGKSA-N 0 1 384.358 3.732 20 5 GHBDMN COc1ccccc1[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCCCC1 ZINC000515782603 851471938 /nfs/dbraw/zinc/47/19/38/851471938.db2.gz RDCGAFCISFZIKR-IBGZPJMESA-N 0 1 398.463 3.952 20 5 GHBDMN O=[N+]([O-])c1cc(Br)ccc1NCCc1cc(-c2ccncc2)[nH]n1 ZINC000436423747 851598476 /nfs/dbraw/zinc/59/84/76/851598476.db2.gz VYXYCNUYXQUWCS-UHFFFAOYSA-N 0 1 388.225 3.797 20 5 GHBDMN O=C(Nc1nc2ccc(F)cc2[nH]1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000488913663 851859513 /nfs/dbraw/zinc/85/95/13/851859513.db2.gz IRZGBNZBZUQLFD-UHFFFAOYSA-N 0 1 383.364 3.986 20 5 GHBDMN Cc1cc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)c(OC(F)F)cc1C ZINC000425957214 852110482 /nfs/dbraw/zinc/11/04/82/852110482.db2.gz AWQXGEZIWNIQBX-UHFFFAOYSA-N 0 1 380.395 3.847 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(c2ncc(C(F)(F)F)[nH]2)CC1 ZINC000133920139 852224592 /nfs/dbraw/zinc/22/45/92/852224592.db2.gz IKDJVCQNWGGMMI-UHFFFAOYSA-N 0 1 382.342 3.665 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2ccc(CN3CCC(Oc4cnccn4)CC3)o2)cc1 ZINC000425990706 852324469 /nfs/dbraw/zinc/32/44/69/852324469.db2.gz OFFBIGUBJKOULF-UHFFFAOYSA-N 0 1 380.404 3.688 20 5 GHBDMN CCN(C(=O)c1ccc([O-])c([N+](=O)[O-])c1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000436953401 852542468 /nfs/dbraw/zinc/54/24/68/852542468.db2.gz PAJPOCTUHKFYMW-MAUKXSAKSA-N 0 1 383.448 3.598 20 5 GHBDMN O=c1nc(C=Cc2cc(O)ccc2[N+](=O)[O-])[nH]c2sc(Br)cc21 ZINC000436973722 852558634 /nfs/dbraw/zinc/55/86/34/852558634.db2.gz UUKBEUDBGBCGGF-DAFODLJHSA-N 0 1 394.206 3.944 20 5 GHBDMN Cc1ccc([C@H](C)NC(=O)NC[C@@H](c2ccsc2)N(C)C)cc1[N+](=O)[O-] ZINC000489909382 852662160 /nfs/dbraw/zinc/66/21/60/852662160.db2.gz HGAXZYMGAOUCKE-GUYCJALGSA-N 0 1 376.482 3.628 20 5 GHBDMN CN(Cc1ccccc1-c1ccccc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000507250019 852707182 /nfs/dbraw/zinc/70/71/82/852707182.db2.gz BZYQPJJIHRKBGA-UHFFFAOYSA-N 0 1 375.428 3.993 20 5 GHBDMN Cc1ccc([C@H](CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)N2CCCC2)o1 ZINC000506346416 852813397 /nfs/dbraw/zinc/81/33/97/852813397.db2.gz JTTRTMMKNUXHIF-SFHVURJKSA-N 0 1 382.420 3.544 20 5 GHBDMN CSc1cccc(F)c1CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000509580801 852992605 /nfs/dbraw/zinc/99/26/05/852992605.db2.gz SIERFXKUPVBGTP-UHFFFAOYSA-N 0 1 390.845 3.588 20 5 GHBDMN CN1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)[C@@H]1c1ccccc1 ZINC000491114729 853444039 /nfs/dbraw/zinc/44/40/39/853444039.db2.gz BEKRIKUXUBVBME-IRXDYDNUSA-N 0 1 393.365 3.789 20 5 GHBDMN O=C(NC[C@@H](OCC1CC1)c1ccc(Cl)cc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000586855298 853579307 /nfs/dbraw/zinc/57/93/07/853579307.db2.gz RJGSZUPHKUFISX-GOSISDBHSA-N 0 1 390.823 3.852 20 5 GHBDMN Cc1ccc([C@@H](C)N[C@@H](C)c2cccc(NS(C)(=O)=O)c2)cc1[N+](=O)[O-] ZINC000164243756 853797539 /nfs/dbraw/zinc/79/75/39/853797539.db2.gz WLKUXPGATHABPD-UONOGXRCSA-N 0 1 377.466 3.687 20 5 GHBDMN CCC[C@@H](N[C@@H]1CCCN(Cc2ccccn2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000273307279 855185180 /nfs/dbraw/zinc/18/51/80/855185180.db2.gz VWWGAWVZPWATAE-WOJBJXKFSA-N 0 1 382.464 3.612 20 5 GHBDMN C[C@H](NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000543546989 862654263 /nfs/dbraw/zinc/65/42/63/862654263.db2.gz QZJWRHIKMWDPNS-JMERFSKESA-N 0 1 380.404 3.688 20 5 GHBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000441481617 855254328 /nfs/dbraw/zinc/25/43/28/855254328.db2.gz OFAAIFHTUJJKNX-AWEZNQCLSA-N 0 1 379.420 3.980 20 5 GHBDMN O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000123032410 855307077 /nfs/dbraw/zinc/30/70/77/855307077.db2.gz GTHMQJOMBYUMKU-QGZVFWFLSA-N 0 1 390.443 3.537 20 5 GHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC(Cc2cccc(C(F)(F)F)c2)C1 ZINC000590423619 855402408 /nfs/dbraw/zinc/40/24/08/855402408.db2.gz VZPXAEJJRLUBTI-UHFFFAOYSA-N 0 1 380.322 3.634 20 5 GHBDMN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000184658592 855470617 /nfs/dbraw/zinc/47/06/17/855470617.db2.gz LZUFUPMZKMBGIB-NRFANRHFSA-N 0 1 395.503 3.898 20 5 GHBDMN O=C(NCc1n[nH]c(C2CC2)n1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000590768109 855568243 /nfs/dbraw/zinc/56/82/43/855568243.db2.gz BIZWHBDPZCXERS-UHFFFAOYSA-N 0 1 387.465 3.555 20 5 GHBDMN CCc1[nH]nc(C(=O)N(C)[C@H](C)Cc2ccccc2C(F)(F)F)c1[N+](=O)[O-] ZINC000554125059 855813274 /nfs/dbraw/zinc/81/32/74/855813274.db2.gz RISAZSDRGDSDRN-SNVBAGLBSA-N 0 1 384.358 3.602 20 5 GHBDMN O=C(NCC1CCN(Cc2ccccc2Cl)CC1)c1csc([N+](=O)[O-])c1 ZINC000170945036 856836570 /nfs/dbraw/zinc/83/65/70/856836570.db2.gz RWOXHWHFMGWNHP-UHFFFAOYSA-N 0 1 393.896 3.952 20 5 GHBDMN C[C@H](NCc1cccc(C(=O)NCc2ccco2)c1)c1cccc([N+](=O)[O-])c1 ZINC000173332575 856869316 /nfs/dbraw/zinc/86/93/16/856869316.db2.gz WDWMBTOOZPSIFQ-HNNXBMFYSA-N 0 1 379.416 3.969 20 5 GHBDMN CCCCc1nc(C(=O)OCC)c(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[nH]1 ZINC000485714497 856983220 /nfs/dbraw/zinc/98/32/20/856983220.db2.gz ZGNIMBJEZZUQFW-UHFFFAOYSA-N 0 1 394.815 3.743 20 5 GHBDMN CC1CCN([C@@H](CNC(=O)c2ccc(F)cc2[N+](=O)[O-])c2cccs2)CC1 ZINC000159626530 862869876 /nfs/dbraw/zinc/86/98/76/862869876.db2.gz VGJMEQPENIQAIG-KRWDZBQOSA-N 0 1 391.468 3.998 20 5 GHBDMN CC[C@H](N[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1ccccc1F ZINC000593064738 857182686 /nfs/dbraw/zinc/18/26/86/857182686.db2.gz NVHLKGFJTGZOIE-WBMJQRKESA-N 0 1 375.400 3.810 20 5 GHBDMN O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc2nc(-c3ccccn3)[nH]c2c1 ZINC000114100789 857894813 /nfs/dbraw/zinc/89/48/13/857894813.db2.gz KKJNBJNELUEEBN-UHFFFAOYSA-N 0 1 389.371 3.551 20 5 GHBDMN Cc1[nH]ncc1C1CCN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000908076766 857919724 /nfs/dbraw/zinc/91/97/24/857919724.db2.gz TYNJTQITSVSIGJ-UHFFFAOYSA-N 0 1 376.844 3.619 20 5 GHBDMN Cc1nn(C(C)(C)C)cc1[C@H](C)N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000157983037 858068334 /nfs/dbraw/zinc/06/83/34/858068334.db2.gz IYGKHZYOZBJKCU-ZFWWWQNUSA-N 0 1 387.484 3.841 20 5 GHBDMN CCN(Cc1c[nH]c2ccccc12)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000442886878 858207593 /nfs/dbraw/zinc/20/75/93/858207593.db2.gz VEMFHEVGJVNOLW-FQEVSTJZSA-N 0 1 378.432 3.704 20 5 GHBDMN CC(C)Oc1nc(N2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)ccc1[N+](=O)[O-] ZINC000594569987 858226324 /nfs/dbraw/zinc/22/63/24/858226324.db2.gz ZSFUHXOOPKNHJQ-HNNXBMFYSA-N 0 1 394.435 3.904 20 5 GHBDMN CC(C)Oc1nc(N2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)ccc1[N+](=O)[O-] ZINC000594569987 858226335 /nfs/dbraw/zinc/22/63/35/858226335.db2.gz ZSFUHXOOPKNHJQ-HNNXBMFYSA-N 0 1 394.435 3.904 20 5 GHBDMN Cc1ccccc1C(=O)NC1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255771303 858247703 /nfs/dbraw/zinc/24/77/03/858247703.db2.gz MNDANJRHHOSZHH-TWGQIWQCSA-N 0 1 379.460 3.811 20 5 GHBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@H]21 ZINC000594733683 858268110 /nfs/dbraw/zinc/26/81/10/858268110.db2.gz BMHLKHGBMHDBBT-FGTMMUONSA-N 0 1 376.453 3.847 20 5 GHBDMN O=[N+]([O-])c1ccccc1OCCN1CCC(Oc2cncc(Cl)c2)CC1 ZINC000574895657 858387680 /nfs/dbraw/zinc/38/76/80/858387680.db2.gz PZWVRXOHSHWXBF-UHFFFAOYSA-N 0 1 377.828 3.565 20 5 GHBDMN Cc1cc(NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000592969823 858454015 /nfs/dbraw/zinc/45/40/15/858454015.db2.gz SSFYTAOEYPZGTG-QGZVFWFLSA-N 0 1 383.448 3.926 20 5 GHBDMN C[N@H+](Cc1ccccc1)CC1CCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CC1 ZINC000592972017 858457797 /nfs/dbraw/zinc/45/77/97/858457797.db2.gz NWSDXOYNWGJHQS-UHFFFAOYSA-N 0 1 383.448 3.641 20 5 GHBDMN COc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c3ncccc23)c(Cl)c1 ZINC000521938170 858469721 /nfs/dbraw/zinc/46/97/21/858469721.db2.gz QNGDDWLSKUWWEB-UHFFFAOYSA-N 0 1 393.808 3.606 20 5 GHBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@H](C[C@@H]2CCOC2)c2ccccc2)c1 ZINC000593021313 858548326 /nfs/dbraw/zinc/54/83/26/858548326.db2.gz VASBEHXVFAOKPK-HNAYVOBHSA-N 0 1 384.432 3.639 20 5 GHBDMN CCN(CC)[C@@H](CN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000575189679 858597418 /nfs/dbraw/zinc/59/74/18/858597418.db2.gz QIMIRTIFDNRBTD-AZUAARDMSA-N 0 1 397.479 3.683 20 5 GHBDMN Cc1cc(C)c([C@@H](C)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1C ZINC000543597906 858918813 /nfs/dbraw/zinc/91/88/13/858918813.db2.gz VKSWGZFFFKRCBC-MRXNPFEDSA-N 0 1 376.478 3.645 20 5 GHBDMN O=C(Nc1cccc(-c2cn[nH]n2)c1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000443670666 859257963 /nfs/dbraw/zinc/25/79/63/859257963.db2.gz WLRJMLDYHZGGHM-UHFFFAOYSA-N 0 1 381.395 3.719 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C)c1ccc2c(c1)CCCC2 ZINC000499722623 859286663 /nfs/dbraw/zinc/28/66/63/859286663.db2.gz BFNISHBRKJIRMP-CQSZACIVSA-N 0 1 383.448 3.772 20 5 GHBDMN Cc1ccc([C@H](C)NCc2ccc(S(C)(=O)=O)c(Cl)c2)cc1[N+](=O)[O-] ZINC000429431410 859357213 /nfs/dbraw/zinc/35/72/13/859357213.db2.gz YXNHKQKUDMXZBL-LBPRGKRZSA-N 0 1 382.869 3.811 20 5 GHBDMN COc1cc(CN2CC[C@H]3COC[C@H]3C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000597231667 859365571 /nfs/dbraw/zinc/36/55/71/859365571.db2.gz PFTJSMJJCTXCFZ-PKOBYXMFSA-N 0 1 398.459 3.651 20 5 GHBDMN O=C(CCN1CCC(C(F)(F)F)(C(F)(F)F)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000117352256 859407120 /nfs/dbraw/zinc/40/71/20/859407120.db2.gz BZEYSDYYKLTPMU-UHFFFAOYSA-N 0 1 399.291 3.740 20 5 GHBDMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000593333377 859445454 /nfs/dbraw/zinc/44/54/54/859445454.db2.gz VMVJJQXHSZMDOG-AWEZNQCLSA-N 0 1 397.225 3.912 20 5 GHBDMN Cn1ccnc1[C@@H](NC[C@H]1CCO[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000552056488 859670704 /nfs/dbraw/zinc/67/07/04/859670704.db2.gz FJAUMJLNMOMFCM-HLAWJBBLSA-N 0 1 392.459 3.785 20 5 GHBDMN COC(=O)c1ccc(C(C)C)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000466477793 859678292 /nfs/dbraw/zinc/67/82/92/859678292.db2.gz RDCDXLHVJFZBAA-UHFFFAOYSA-N 0 1 392.433 3.614 20 5 GHBDMN COC(=O)COc1ccc(CNC2(c3cccc(Cl)c3)CC2)cc1[N+](=O)[O-] ZINC000474343865 859888685 /nfs/dbraw/zinc/88/86/85/859888685.db2.gz FBYKLGNXSJZKFX-UHFFFAOYSA-N 0 1 390.823 3.579 20 5 GHBDMN CN1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123734823 860063368 /nfs/dbraw/zinc/06/33/68/860063368.db2.gz UXKNCQBPWWUPRP-KSSFIOAISA-N 0 1 391.830 3.810 20 5 GHBDMN COc1ccc(C[C@H]2CCCN([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000555150802 860131844 /nfs/dbraw/zinc/13/18/44/860131844.db2.gz HGUILKVOLZZKMT-FUHWJXTLSA-N 0 1 397.475 3.885 20 5 GHBDMN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CN1CCC(OC[C@@H]2CCOC2)CC1 ZINC000602604050 860165713 /nfs/dbraw/zinc/16/57/13/860165713.db2.gz HQSGQEQCLMPAGI-CYBMUJFWSA-N 0 1 388.386 3.631 20 5 GHBDMN CCOc1ccc(NC(=O)CN[C@@H](CC)c2ccc(OC)cc2)c([N+](=O)[O-])c1 ZINC000124135396 860242706 /nfs/dbraw/zinc/24/27/06/860242706.db2.gz BRSLEAUKLSRIQD-KRWDZBQOSA-N 0 1 387.436 3.682 20 5 GHBDMN Cc1cc(Cl)ncc1NS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000153009457 881530966 /nfs/dbraw/zinc/53/09/66/881530966.db2.gz MAKHCBGZNMKPMG-UHFFFAOYSA-N 0 1 376.221 3.714 20 5 GHBDMN O=[N+]([O-])c1ccc(OC2CCN(Cc3ccc(N4CCCC4)nc3)CC2)cc1 ZINC000130730958 860445840 /nfs/dbraw/zinc/44/58/40/860445840.db2.gz FNWDNGHWRIEDGI-UHFFFAOYSA-N 0 1 382.464 3.633 20 5 GHBDMN Cc1ccc(CN2CCN(c3ccccc3[N+](=O)[O-])CC2)c(-c2ccnn2C)c1 ZINC000555327308 860452517 /nfs/dbraw/zinc/45/25/17/860452517.db2.gz GPYXCMHJRIHURY-UHFFFAOYSA-N 0 1 391.475 3.626 20 5 GHBDMN CN(C)[C@@H](CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cccs1 ZINC000173082577 860719002 /nfs/dbraw/zinc/71/90/02/860719002.db2.gz PLFMTANOTMMJDU-ZDUSSCGKSA-N 0 1 387.383 3.708 20 5 GHBDMN COc1cc(CN[C@H]2CO[C@@H](C3CC3)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000599007608 860723737 /nfs/dbraw/zinc/72/37/37/860723737.db2.gz QOIMLCGLNJMLJM-UYAOXDASSA-N 0 1 398.459 3.840 20 5 GHBDMN COC(=O)COc1ccc([C@H](C)NCc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000185674766 860986308 /nfs/dbraw/zinc/98/63/08/860986308.db2.gz XZXGHKUFIJFSGQ-LBPRGKRZSA-N 0 1 378.812 3.651 20 5 GHBDMN Cc1cc(CO)cc(C)c1CNCc1cc(Br)c([N+](=O)[O-])s1 ZINC000896562733 861027028 /nfs/dbraw/zinc/02/70/28/861027028.db2.gz YNFWKDCZODSMGN-UHFFFAOYSA-N 0 1 385.283 3.818 20 5 GHBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H](Oc3ccccc3Cl)C2)c1 ZINC000593739862 861124339 /nfs/dbraw/zinc/12/43/39/861124339.db2.gz LKJXIILPPSJIJB-CQSZACIVSA-N 0 1 376.796 3.600 20 5 GHBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@@H](Oc3ccccc3Cl)C2)c1 ZINC000593739862 861124347 /nfs/dbraw/zinc/12/43/47/861124347.db2.gz LKJXIILPPSJIJB-CQSZACIVSA-N 0 1 376.796 3.600 20 5 GHBDMN CCOc1ccc(NC(=O)CNC2(c3ccc(F)cc3)CCC2)c([N+](=O)[O-])c1 ZINC000609194262 881622183 /nfs/dbraw/zinc/62/21/83/881622183.db2.gz KPRCCYOXJKBGJK-UHFFFAOYSA-N 0 1 387.411 3.740 20 5 GHBDMN CC[C@H](N[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1ccccc1F ZINC000593065571 863136381 /nfs/dbraw/zinc/13/63/81/863136381.db2.gz YEQUMYBKPUPTMA-LRDDRELGSA-N 0 1 375.400 3.810 20 5 GHBDMN Cc1ccc2nc([C@H]3CCCN(C(=O)Cc4ccc([N+](=O)[O-])cc4)C3)[nH]c2c1 ZINC000159984733 863219599 /nfs/dbraw/zinc/21/95/99/863219599.db2.gz YYLFJSWNGXDFIT-INIZCTEOSA-N 0 1 378.432 3.728 20 5 GHBDMN CN(C)Cc1ccnc(NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)c1 ZINC000444096556 863393875 /nfs/dbraw/zinc/39/38/75/863393875.db2.gz KIXZYUNCDLTLQI-UHFFFAOYSA-N 0 1 390.418 3.529 20 5 GHBDMN COC(=O)COc1ccc(CN2CCC[C@H]2/C=C\c2ccccc2)cc1[N+](=O)[O-] ZINC000475103993 864203168 /nfs/dbraw/zinc/20/31/68/864203168.db2.gz OFINWXFQRCXKQV-JQYPEGPJSA-N 0 1 396.443 3.824 20 5 GHBDMN O=[N+]([O-])c1cc(CN[C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)ccc1Cl ZINC000734843826 864472681 /nfs/dbraw/zinc/47/26/81/864472681.db2.gz QLFPDMJBRPGHJN-HOCLYGCPSA-N 0 1 388.773 3.872 20 5 GHBDMN Cc1ccc(-c2cc(C(=O)Nc3cc(-c4cccc([N+](=O)[O-])c4)[nH]n3)[nH]n2)o1 ZINC000475220371 864597977 /nfs/dbraw/zinc/59/79/77/864597977.db2.gz QJMUUFZQIATFBU-UHFFFAOYSA-N 0 1 378.348 3.529 20 5 GHBDMN CC[C@](C)(COc1ncccc1Cl)NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792873221 881797796 /nfs/dbraw/zinc/79/77/96/881797796.db2.gz RURKTVJBKVLHMR-QGZVFWFLSA-N 0 1 394.815 3.889 20 5 GHBDMN C[C@@H](C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000184919978 865042098 /nfs/dbraw/zinc/04/20/98/865042098.db2.gz XFPYXHDDRGMLKV-NVXWUHKLSA-N 0 1 385.439 3.618 20 5 GHBDMN Cc1c([N+](=O)[O-])cc(C(=O)N(CCN2CCCC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000739648105 865773743 /nfs/dbraw/zinc/77/37/43/865773743.db2.gz BFMLIMZMVLUXFH-UHFFFAOYSA-N 0 1 398.419 3.554 20 5 GHBDMN COC(=O)COc1ccc(CN2CCC(Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000475568981 866307313 /nfs/dbraw/zinc/30/73/13/866307313.db2.gz BZPMCTXLWRGRJJ-UHFFFAOYSA-N 0 1 398.459 3.601 20 5 GHBDMN O=[N+]([O-])c1ccccc1/C=C\CN[C@H](CO)c1ccccc1OC(F)(F)F ZINC000475568605 866332720 /nfs/dbraw/zinc/33/27/20/866332720.db2.gz OEQWDKUXJBVDGE-ZQMJAJRESA-N 0 1 382.338 3.830 20 5 GHBDMN O=[N+]([O-])c1cn(CN2CCC[C@H](Cc3ccccc3)C2)nc1-c1ccncc1 ZINC000742147067 867081511 /nfs/dbraw/zinc/08/15/11/867081511.db2.gz AUOVUCCKHZXKKC-GOSISDBHSA-N 0 1 377.448 3.766 20 5 GHBDMN CC(C)N1C[C@@H](NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1=O ZINC000523390688 867223375 /nfs/dbraw/zinc/22/33/75/867223375.db2.gz ZBRYIXBDMFUASP-INIZCTEOSA-N 0 1 387.411 3.625 20 5 GHBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)C1CCC(C(F)(F)F)CC1 ZINC000444821406 867266401 /nfs/dbraw/zinc/26/64/01/867266401.db2.gz BGRMDUVDQLCBLQ-UHFFFAOYSA-N 0 1 383.330 3.687 20 5 GHBDMN CN(Cc1ccco1)Cc1ccccc1CNc1ccc([N+](=O)[O-])c2nonc21 ZINC000742411287 867277715 /nfs/dbraw/zinc/27/77/15/867277715.db2.gz NJJYDUSEGHFKMN-UHFFFAOYSA-N 0 1 393.403 3.968 20 5 GHBDMN Cc1nc(-c2ccccc2)sc1[C@@H](C)NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000183726033 867558429 /nfs/dbraw/zinc/55/84/29/867558429.db2.gz XRUNUNRQOQCLMB-GFCCVEGCSA-N 0 1 396.472 3.976 20 5 GHBDMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000445096025 867770630 /nfs/dbraw/zinc/77/06/30/867770630.db2.gz WXNQFCFMUFWHST-UHFFFAOYSA-N 0 1 379.848 3.610 20 5 GHBDMN Cc1nc([C@H](C)NC(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)n[nH]1 ZINC000553634216 867800318 /nfs/dbraw/zinc/80/03/18/867800318.db2.gz DIZKDZDPRJROMG-LBPRGKRZSA-N 0 1 397.460 3.972 20 5 GHBDMN COc1cc(CN(C)C2CCOCC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000535080982 868125661 /nfs/dbraw/zinc/12/56/61/868125661.db2.gz GITZXAWWGMCJGJ-UHFFFAOYSA-N 0 1 386.448 3.793 20 5 GHBDMN O=[N+]([O-])c1cccc(OCCN2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)c1 ZINC000535314843 868520788 /nfs/dbraw/zinc/52/07/88/868520788.db2.gz RXFQRZYIJRWNMX-GOSISDBHSA-N 0 1 379.420 3.596 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1Cc2ccccc2C(C)(C)C1 ZINC000535443997 868746455 /nfs/dbraw/zinc/74/64/55/868746455.db2.gz VIPIMTOCYCAELV-UHFFFAOYSA-N 0 1 383.448 3.725 20 5 GHBDMN COc1ccc(C2CCN(Cn3cnc(-c4ccc([N+](=O)[O-])cc4)n3)CC2)cc1 ZINC000744437425 868839431 /nfs/dbraw/zinc/83/94/31/868839431.db2.gz SUZQWVAXYSZJDF-UHFFFAOYSA-N 0 1 393.447 3.699 20 5 GHBDMN Cc1ccc(Br)cc1S(=O)(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000386077052 868890223 /nfs/dbraw/zinc/89/02/23/868890223.db2.gz KDZYFEMLABKPBZ-UHFFFAOYSA-N 0 1 385.239 3.775 20 5 GHBDMN O=C(Nc1nc(-c2ccc3ccccc3n2)n[nH]1)c1ccc([N+](=O)[O-])cc1Cl ZINC000609091868 869234568 /nfs/dbraw/zinc/23/45/68/869234568.db2.gz AOFKLGTVHAUFPC-UHFFFAOYSA-N 0 1 394.778 3.834 20 5 GHBDMN CS[C@H]1CCC[C@@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000462336649 869270560 /nfs/dbraw/zinc/27/05/60/869270560.db2.gz BCXKZDHSESUDOF-ZJUUUORDSA-N 0 1 399.321 3.854 20 5 GHBDMN COC(=O)C[C@@H]1CSCCN1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000539816902 869846220 /nfs/dbraw/zinc/84/62/20/869846220.db2.gz DQBBSOFEGFHGFV-CYBMUJFWSA-N 0 1 392.502 3.804 20 5 GHBDMN COc1cc(OC)cc(N2CCCN(C/C=C\c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000539863648 869915087 /nfs/dbraw/zinc/91/50/87/869915087.db2.gz MYPJIGVMFSQYPB-YVMONPNESA-N 0 1 397.475 3.838 20 5 GHBDMN CO[C@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000538726582 870526150 /nfs/dbraw/zinc/52/61/50/870526150.db2.gz GSYUEESQCIJMQU-FQEVSTJZSA-N 0 1 378.432 3.668 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2ccc(CN3CCSC[C@H]3CCO)o2)c(Cl)c1 ZINC000538793550 870660831 /nfs/dbraw/zinc/66/08/31/870660831.db2.gz LAFXYSNMXVBSCN-CYBMUJFWSA-N 0 1 382.869 3.808 20 5 GHBDMN CC(C)(C)OC(=O)N1CCN([C@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@H]1c1ccccc1 ZINC001169050040 871132385 /nfs/dbraw/zinc/13/23/85/871132385.db2.gz YJVQAKITZFHCRB-WDSOQIARSA-N 0 1 389.496 3.726 20 5 GHBDMN O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000525670075 871207494 /nfs/dbraw/zinc/20/74/94/871207494.db2.gz ZIQLXNRKSFQHIU-LJQANCHMSA-N 0 1 387.867 3.744 20 5 GHBDMN O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N[C@H]1c2ccccc2CC[C@@H]1F ZINC001194047160 871463361 /nfs/dbraw/zinc/46/33/61/871463361.db2.gz WOIUZUANEBKOAP-BBRMVZONSA-N 0 1 384.816 3.552 20 5 GHBDMN CCc1ccc([C@H]2CCCN(CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC001194115571 871484324 /nfs/dbraw/zinc/48/43/24/871484324.db2.gz CJYOLQLMVHEGMB-IBGZPJMESA-N 0 1 381.476 4.000 20 5 GHBDMN Cc1cc(N2CCO[C@@H](COc3ccccc3)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000477795081 871921344 /nfs/dbraw/zinc/92/13/44/871921344.db2.gz YADIXWOBUATJHL-GOSISDBHSA-N 0 1 379.416 3.736 20 5 GHBDMN CC(C)Oc1cccc([C@H](C)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000182399818 872283693 /nfs/dbraw/zinc/28/36/93/872283693.db2.gz ZXHPMYMDSPYMOJ-HNNXBMFYSA-N 0 1 392.477 3.507 20 5 GHBDMN Cc1ccc(-c2n[nH]c(SCC(=O)OCCc3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000767421111 872507195 /nfs/dbraw/zinc/50/71/95/872507195.db2.gz BKCAUJWGFMGYGQ-UHFFFAOYSA-N 0 1 398.444 3.566 20 5 GHBDMN CC1(C)Cc2cc(NS(=O)(=O)c3ccc([N+](=O)[O-])c4cccnc43)ccc2O1 ZINC000463791271 872568651 /nfs/dbraw/zinc/56/86/51/872568651.db2.gz UHIZZFJSNAUSAW-UHFFFAOYSA-N 0 1 399.428 3.657 20 5 GHBDMN O=[N+]([O-])c1ccc(CN[C@@H]2CCN(c3ccccc3Br)C2)c(F)c1 ZINC000478234518 872701249 /nfs/dbraw/zinc/70/12/49/872701249.db2.gz RKHVSTUTPXVYJC-CYBMUJFWSA-N 0 1 394.244 3.865 20 5 GHBDMN COCCC[C@@H](CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000552681123 872988996 /nfs/dbraw/zinc/98/89/96/872988996.db2.gz PETDWCRIMDIXBG-AWEZNQCLSA-N 0 1 392.839 3.894 20 5 GHBDMN Cc1sc(Br)cc1S(=O)(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000122428918 873405691 /nfs/dbraw/zinc/40/56/91/873405691.db2.gz ZBXUACLDFAFVDV-UHFFFAOYSA-N 0 1 391.268 3.836 20 5 GHBDMN CN1C(=O)C[C@@H](NCc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)cc1 ZINC000768653743 873474596 /nfs/dbraw/zinc/47/45/96/873474596.db2.gz WNDGGBYONDKYPF-QAPCUYQASA-N 0 1 394.258 3.963 20 5 GHBDMN COC[C@H](NCc1cc(O)ccc1[N+](=O)[O-])c1cccc(Br)c1 ZINC001197146021 873623338 /nfs/dbraw/zinc/62/33/38/873623338.db2.gz PLJOTYYWPYKYQB-HNNXBMFYSA-N 0 1 381.226 3.540 20 5 GHBDMN CC(C)(C)OC(=O)Nc1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000768881885 873644752 /nfs/dbraw/zinc/64/47/52/873644752.db2.gz IXEOUIXPBCQDIL-UHFFFAOYSA-N 0 1 399.450 3.804 20 5 GHBDMN CCOc1cc(CN2CC[C@H](Oc3ccc(C4CC4)cn3)C2)ccc1[N+](=O)[O-] ZINC000858050142 882789339 /nfs/dbraw/zinc/78/93/39/882789339.db2.gz DADXSSFLLLUZTM-SFHVURJKSA-N 0 1 383.448 3.919 20 5 GHBDMN C[C@@H](COCC1CCCCC1)NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC001197999826 874153744 /nfs/dbraw/zinc/15/37/44/874153744.db2.gz BTUOEADMPBCYBI-ZDUSSCGKSA-N 0 1 383.876 3.762 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2cnc(CCN3CCOC[C@@H]3c3ccccc3)o2)c1 ZINC000464832141 874600819 /nfs/dbraw/zinc/60/08/19/874600819.db2.gz BTXAKSBPJDVFHV-LJQANCHMSA-N 0 1 379.416 3.866 20 5 GHBDMN CC(C)[C@@H](N[C@H](C)Cc1ccccc1[N+](=O)[O-])c1nc(-c2cccnc2)no1 ZINC000449226635 874615672 /nfs/dbraw/zinc/61/56/72/874615672.db2.gz RTPHRTYHCJCRRZ-RDTXWAMCSA-N 0 1 381.436 3.958 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2ccc(CNCc3ccnc(-n4cccn4)c3)o2)cc1 ZINC001199179256 874839311 /nfs/dbraw/zinc/83/93/11/874839311.db2.gz WGNLBUPLPOXRTC-UHFFFAOYSA-N 0 1 375.388 3.725 20 5 GHBDMN C[C@@H]([NH2+]Cc1cc([O-])ccc1[N+](=O)[O-])c1ccc(NC(=O)c2ccncc2)cc1 ZINC000549927633 875908766 /nfs/dbraw/zinc/90/87/66/875908766.db2.gz BXQDSZWBFRFDFJ-CQSZACIVSA-N 0 1 392.415 3.799 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@H](O)c1cccc(Br)c1 ZINC000850468007 876947703 /nfs/dbraw/zinc/94/77/03/876947703.db2.gz XBUBEEUXGGXNCI-MEDUHNTESA-N 0 1 395.253 3.750 20 5 GHBDMN CCOC(=O)c1ccnc(Sc2nc3ccc(OCC)cc3[nH]2)c1[N+](=O)[O-] ZINC000609960788 877218402 /nfs/dbraw/zinc/21/84/02/877218402.db2.gz QNSGRKOFBGNPQH-UHFFFAOYSA-N 0 1 388.405 3.593 20 5 GHBDMN Cc1ccc2nc([C@@H]3CCCN3CC(=O)Nc3c(C)cccc3[N+](=O)[O-])[nH]c2c1 ZINC000451011684 877230897 /nfs/dbraw/zinc/23/08/97/877230897.db2.gz DOXWEMTZMBYIDU-SFHVURJKSA-N 0 1 393.447 3.864 20 5 GHBDMN Cc1ccc(NC(=O)NC(=O)[C@H](C)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000451107871 877370148 /nfs/dbraw/zinc/37/01/48/877370148.db2.gz UHVJXZDIUFAPAM-GJZGRUSLSA-N 0 1 384.436 3.599 20 5 GHBDMN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCc1ccc(F)c(CN(C)C)c1 ZINC000477384615 877548336 /nfs/dbraw/zinc/54/83/36/877548336.db2.gz ZFKFQFDNIGSGEJ-UHFFFAOYSA-N 0 1 379.819 3.687 20 5 GHBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@@H](CO)[C@@H]2CC)cc1OC ZINC000451250269 877661387 /nfs/dbraw/zinc/66/13/87/877661387.db2.gz DDWRMGWYBONIJO-ZOBUZTSGSA-N 0 1 380.485 3.621 20 5 GHBDMN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000179857811 878089553 /nfs/dbraw/zinc/08/95/53/878089553.db2.gz GSVNDQGOEHNVLG-UHFFFAOYSA-N 0 1 375.335 3.727 20 5 GHBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@H](OC)[C@@H](C)C2)cc1OC ZINC000451576099 878186204 /nfs/dbraw/zinc/18/62/04/878186204.db2.gz UBPVJOIRRXVSNH-MPGHIAIKSA-N 0 1 380.485 3.885 20 5 GHBDMN O=c1oc2cccc([N+](=O)[O-])c2n1CN1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000795682466 912331062 /nfs/dbraw/zinc/33/10/62/912331062.db2.gz XLAMTLOPEZDWFC-ZACQAIPSSA-N 0 1 379.416 3.728 20 5 GHBDMN CCn1c2ccccc2nc1[C@@H]1CCCN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776591617 878298614 /nfs/dbraw/zinc/29/86/14/878298614.db2.gz LGKMAIMZPIRQCL-PMACEKPBSA-N 0 1 380.448 3.835 20 5 GHBDMN O=[N+]([O-])c1cc(C(F)F)ccc1N1CCC(CCCN2CCOCC2)CC1 ZINC000853472583 879043432 /nfs/dbraw/zinc/04/34/32/879043432.db2.gz WLQRFAIHEDRCNK-UHFFFAOYSA-N 0 1 383.439 3.861 20 5 GHBDMN Cc1ccc(SCCNC(=O)CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000538277297 879170335 /nfs/dbraw/zinc/17/03/35/879170335.db2.gz ZSSDJYPWPGYLCG-INIZCTEOSA-N 0 1 387.505 3.771 20 5 GHBDMN O=C(Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000461234260 879443879 /nfs/dbraw/zinc/44/38/79/879443879.db2.gz QFIIKMISPHBNJJ-UHFFFAOYSA-N 0 1 392.293 3.757 20 5 GHBDMN CN(C)[C@@H]1CCOc2c(NC(=O)C(F)(F)c3ccc([N+](=O)[O-])cc3)cccc21 ZINC000790239112 879540891 /nfs/dbraw/zinc/54/08/91/879540891.db2.gz DGMGJZFZQJZJFW-MRXNPFEDSA-N 0 1 391.374 3.711 20 5 GHBDMN COc1cccc([C@H](O)CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000113341050 880519058 /nfs/dbraw/zinc/51/90/58/880519058.db2.gz TXTFNJIXHZPTQV-GOSISDBHSA-N 0 1 385.445 3.550 20 5 GHBDMN C[C@@H]1CN(Cc2ccc(-c3nc(-c4ccc([N+](=O)[O-])o4)no3)cc2)C[C@@H](C)O1 ZINC000453239323 880669038 /nfs/dbraw/zinc/66/90/38/880669038.db2.gz BDQJXGJPOIJUET-CHWSQXEVSA-N 0 1 384.392 3.514 20 5 GHBDMN CCCN(C(=O)c1ccc([N+](=O)[O-])cn1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000532136904 881215689 /nfs/dbraw/zinc/21/56/89/881215689.db2.gz MVWLCDRPRMNDDA-LJQANCHMSA-N 0 1 382.464 3.507 20 5 GHBDMN CC(C)(C)C1=CCN(CCNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000476922957 883404793 /nfs/dbraw/zinc/40/47/93/883404793.db2.gz KLVNLHWUXGIWQX-UHFFFAOYSA-N 0 1 382.464 3.551 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000859929976 884179795 /nfs/dbraw/zinc/17/97/95/884179795.db2.gz NWJYFGPRGGMHMW-TWKWOARYSA-N 0 1 395.459 3.666 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](C)N(Cc3ccccc3)[C@@H](C)[C@H]2C)c1 ZINC001130458424 884263480 /nfs/dbraw/zinc/26/34/80/884263480.db2.gz MXUCIXVQRBZXNC-YESZJQIVSA-N 0 1 397.475 3.727 20 5 GHBDMN Cc1c(CC(=O)N2C[C@H](C)N(Cc3ccccc3)[C@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC001130458494 884264354 /nfs/dbraw/zinc/26/43/54/884264354.db2.gz OIQIVJOPLJLXRE-UHOSZYNNSA-N 0 1 395.503 3.956 20 5 GHBDMN COc1ccc(S(=O)(=O)Nc2cc(F)cc([N+](=O)[O-])c2)c2ccccc12 ZINC000475831440 884802204 /nfs/dbraw/zinc/80/22/04/884802204.db2.gz VIDRZYWTHKENOI-UHFFFAOYSA-N 0 1 376.365 3.697 20 5 GHBDMN C[C@@H]1Cc2cc(S(=O)(=O)Nc3cc(F)cc([N+](=O)[O-])c3)cc(Cl)c2O1 ZINC000475834942 884805446 /nfs/dbraw/zinc/80/54/46/884805446.db2.gz QNQSYTFMBNLSIV-MRVPVSSYSA-N 0 1 386.788 3.512 20 5 GHBDMN NC(=O)c1ccc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1 ZINC000237747860 884839097 /nfs/dbraw/zinc/83/90/97/884839097.db2.gz QNLMDBRAKJLVNA-UHFFFAOYSA-N 0 1 385.807 3.897 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N[C@@H]2CSc3ccccc32)c1 ZINC000795844262 912901438 /nfs/dbraw/zinc/90/14/38/912901438.db2.gz HRZBTXNSLZBBKH-LLVKDONJSA-N 0 1 388.829 3.513 20 5 GHBDMN O=C(Nc1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000193321113 885337662 /nfs/dbraw/zinc/33/76/62/885337662.db2.gz TYDTXXDCZSQPFZ-UHFFFAOYSA-N 0 1 397.412 3.648 20 5 GHBDMN O=C(c1ccccc1[N+](=O)[O-])N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000272227388 885367991 /nfs/dbraw/zinc/36/79/91/885367991.db2.gz LMNOPSJKIKLRGG-OAHLLOKOSA-N 0 1 383.452 3.780 20 5 GHBDMN Cc1c([C@@H](C)NCC(=O)Nc2cccc(Br)c2)cccc1[N+](=O)[O-] ZINC000495374486 885567704 /nfs/dbraw/zinc/56/77/04/885567704.db2.gz QHEFUZBGTTZHOT-GFCCVEGCSA-N 0 1 392.253 3.955 20 5 GHBDMN C[C@H](CNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CCc2ccccc2C1 ZINC000915308722 886300865 /nfs/dbraw/zinc/30/08/65/886300865.db2.gz OUZYAQOTCLUGNE-CYBMUJFWSA-N 0 1 388.855 3.817 20 5 GHBDMN CCOc1ccc([C@H](C)NCc2ccc(C[S@](C)=O)cc2)cc1[N+](=O)[O-] ZINC000556910858 886651899 /nfs/dbraw/zinc/65/18/99/886651899.db2.gz FEDYIQPEGUYDHG-RXBISOJRSA-N 0 1 376.478 3.723 20 5 GHBDMN C[C@H](N[C@H]1CCO[C@H]1c1ccc(Cl)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000248970619 886995636 /nfs/dbraw/zinc/99/56/36/886995636.db2.gz DEAPAVNWNSCHNW-IGNZVWTISA-N 0 1 389.839 3.695 20 5 GHBDMN Cc1ccc([C@@H]2CCN(Cn3cc([N+](=O)[O-])c(-c4ccncc4)n3)C2)c(C)c1 ZINC000794662673 887709256 /nfs/dbraw/zinc/70/92/56/887709256.db2.gz LWYVMRBOHFHZTL-GOSISDBHSA-N 0 1 377.448 3.917 20 5 GHBDMN CCOCCC1(CN[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000272559896 887749859 /nfs/dbraw/zinc/74/98/59/887749859.db2.gz TVWRAVZEZFJJNB-LJQANCHMSA-N 0 1 386.496 3.994 20 5 GHBDMN CN(Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])CC(C)(C)CN1CCOCC1 ZINC000809966303 888008915 /nfs/dbraw/zinc/00/89/15/888008915.db2.gz WXQRCHJJULEVPC-UHFFFAOYSA-N 0 1 390.311 3.692 20 5 GHBDMN CN1CC[C@@H](NCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)cc1 ZINC000810059856 888106293 /nfs/dbraw/zinc/10/62/93/888106293.db2.gz CPGJQHJZUOFIMG-AEFFLSMTSA-N 0 1 390.827 3.691 20 5 GHBDMN CCN1CCN(c2cc(N(C)C(=O)c3cccc(C)c3C)cc([N+](=O)[O-])c2)CC1 ZINC001132058407 888135338 /nfs/dbraw/zinc/13/53/38/888135338.db2.gz GIWKTIHAIQXRBN-UHFFFAOYSA-N 0 1 396.491 3.630 20 5 GHBDMN O=C(c1cc2ccccc2c2cccnc12)N1CCC(CN2CCOCC2)CC1 ZINC000053569664 888234379 /nfs/dbraw/zinc/23/43/79/888234379.db2.gz GMZPDOYQCWNQHY-UHFFFAOYSA-N 0 1 389.499 3.572 20 5 GHBDMN CCN1CCN(c2cc(N(C)C(=O)C[C@@H]3CC[C@H](C)C3)cc([N+](=O)[O-])c2)CC1 ZINC001132279990 888532538 /nfs/dbraw/zinc/53/25/38/888532538.db2.gz YIXHWGSBUCNONS-DLBZAZTESA-N 0 1 388.512 3.526 20 5 GHBDMN O=C(CCN(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccc2c(c1)OCCO2 ZINC000488137856 889194335 /nfs/dbraw/zinc/19/43/35/889194335.db2.gz KOCPCKMLHSPFQN-UHFFFAOYSA-N 0 1 382.416 3.603 20 5 GHBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC[C@H]2c2cccc(N(C)C)c2)c1 ZINC000811465806 889627789 /nfs/dbraw/zinc/62/77/89/889627789.db2.gz ILVBXIOCEWEAAU-IBGZPJMESA-N 0 1 383.448 3.785 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCc2cccc(F)c2[C@H]1C ZINC000533288493 890198268 /nfs/dbraw/zinc/19/82/68/890198268.db2.gz MARDEKGXXLTULV-CYBMUJFWSA-N 0 1 387.411 3.690 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)N(C)C1CCN(CCC(F)(F)F)CC1 ZINC000455150122 890428426 /nfs/dbraw/zinc/42/84/26/890428426.db2.gz AVQQCRYYZROWQU-UHFFFAOYSA-N 0 1 388.390 3.784 20 5 GHBDMN O=C(Nc1nc2ccc(Cl)cc2[nH]1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC001133190749 890439472 /nfs/dbraw/zinc/43/94/72/890439472.db2.gz SIFIYDIARHFNBN-UHFFFAOYSA-N 0 1 382.767 3.563 20 5 GHBDMN CN(CCc1cccc(Br)c1)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000812803974 890999171 /nfs/dbraw/zinc/99/91/71/890999171.db2.gz DGJMLEXOQRFTOF-UHFFFAOYSA-N 0 1 394.225 3.940 20 5 GHBDMN CCN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H](C)[C@H](O)c1ccccc1 ZINC000812850143 891040544 /nfs/dbraw/zinc/04/05/44/891040544.db2.gz LWGOCSBSUMKNHO-KUHUBIRLSA-N 0 1 382.420 3.589 20 5 GHBDMN C[C@@H](N[C@H](C)c1ccc(C(F)(F)F)nc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000871934653 891091104 /nfs/dbraw/zinc/09/11/04/891091104.db2.gz KODCEAYDDKESBW-GHMZBOCLSA-N 0 1 382.342 3.686 20 5 GHBDMN O=C(Nc1ccn(-c2ccncc2)n1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000812997499 891197474 /nfs/dbraw/zinc/19/74/74/891197474.db2.gz XUGNODRETFGZEC-UHFFFAOYSA-N 0 1 378.175 3.735 20 5 GHBDMN COc1ccccc1[C@H]1CCCCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000609265781 892509959 /nfs/dbraw/zinc/50/99/59/892509959.db2.gz XKKUAHMCXIRKOV-QGZVFWFLSA-N 0 1 380.404 3.847 20 5 GHBDMN C/C(=C\c1ccc(F)cc1)C(=O)Nc1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC001134416294 892827980 /nfs/dbraw/zinc/82/79/80/892827980.db2.gz UIVLIDYAMOHTLL-FYWRMAATSA-N 0 1 398.438 3.528 20 5 GHBDMN COCc1cc([N+](=O)[O-])ccc1NC[C@H]1CSCCN1Cc1ccccc1 ZINC000428665615 893145710 /nfs/dbraw/zinc/14/57/10/893145710.db2.gz FBLPUUKLPVIGCG-IBGZPJMESA-N 0 1 387.505 3.771 20 5 GHBDMN Cc1cccc2nc(CCC(=O)N3CCS[C@H]3c3ccc([N+](=O)[O-])cc3)[nH]c21 ZINC000498150394 893411426 /nfs/dbraw/zinc/41/14/26/893411426.db2.gz WKKLWQSDRWPJCR-FQEVSTJZSA-N 0 1 396.472 3.986 20 5 GHBDMN CC[C@@H](NC1CC(n2cc([N+](=O)[O-])cn2)C1)c1nc(C(F)(F)F)cs1 ZINC000877069068 893467111 /nfs/dbraw/zinc/46/71/11/893467111.db2.gz WTUUFDRYIZBPIO-NWGYLPEXSA-N 0 1 375.376 3.711 20 5 GHBDMN O=[N+]([O-])c1ccc(OC2CCN(Cc3cccc4c3OCCCO4)CC2)cc1 ZINC000536681588 893492875 /nfs/dbraw/zinc/49/28/75/893492875.db2.gz MEZQYHQRWSVCDI-UHFFFAOYSA-N 0 1 384.432 3.800 20 5 GHBDMN O=C(NC[C@@H](c1cccs1)N1CCCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000007687021 893935334 /nfs/dbraw/zinc/93/53/34/893935334.db2.gz QWXBCIILXNFVIM-HNNXBMFYSA-N 0 1 379.869 3.877 20 5 GHBDMN COc1ccccc1C[C@H]1CCC[N@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878016267 893949156 /nfs/dbraw/zinc/94/91/56/893949156.db2.gz KVVZBXASDWNEEP-MRXNPFEDSA-N 0 1 394.431 3.861 20 5 GHBDMN COc1ccccc1C[C@H]1CCCN1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878016267 893949164 /nfs/dbraw/zinc/94/91/64/893949164.db2.gz KVVZBXASDWNEEP-MRXNPFEDSA-N 0 1 394.431 3.861 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(CN2CC[C@H](C3CCOCC3)C2)o1 ZINC000878301150 894179092 /nfs/dbraw/zinc/17/90/92/894179092.db2.gz KYQKXVNURJLJQT-ZDUSSCGKSA-N 0 1 392.843 3.547 20 5 GHBDMN Cc1ccc([C@H](C)NCC(=O)N[C@H](C)Cc2c(F)cccc2F)cc1[N+](=O)[O-] ZINC000537176775 894499281 /nfs/dbraw/zinc/49/92/81/894499281.db2.gz YDNSWDDZMLVYIC-KGLIPLIRSA-N 0 1 391.418 3.579 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(CN2CC[C@H](c3cccnc3)C2)o1 ZINC000878759596 894585258 /nfs/dbraw/zinc/58/52/58/894585258.db2.gz DJAFQWWGCXKUQG-ZDUSSCGKSA-N 0 1 385.811 3.683 20 5 GHBDMN C[N@H+](Cc1ccccc1)CC1CCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000565035115 895359948 /nfs/dbraw/zinc/35/99/48/895359948.db2.gz GPSPFXAGIDYIIN-UHFFFAOYSA-N 0 1 383.448 3.641 20 5 GHBDMN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCNC[C@H]2c2cccc(Cl)c2)c1 ZINC000566101604 896108408 /nfs/dbraw/zinc/10/84/08/896108408.db2.gz FSYFZIYXVGRKHV-KRWDZBQOSA-N 0 1 391.880 3.757 20 5 GHBDMN O=C(c1ccccc1Sc1ccccc1[N+](=O)[O-])N1C[C@H]2CCC[C@@H](C1)N2 ZINC000566189052 896163055 /nfs/dbraw/zinc/16/30/55/896163055.db2.gz HGXJSEVBLUDRIO-GASCZTMLSA-N 0 1 383.473 3.713 20 5 GHBDMN CN(C(=O)c1ccncc1)c1ccc(CNCc2cccc([N+](=O)[O-])c2)cc1 ZINC000130425921 897082467 /nfs/dbraw/zinc/08/24/67/897082467.db2.gz HPTFRAQSMNVEJN-UHFFFAOYSA-N 0 1 376.416 3.556 20 5 GHBDMN O=C([O-])c1ccc([N+](=O)[O-])c(N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1 ZINC000567976701 897518533 /nfs/dbraw/zinc/51/85/33/897518533.db2.gz SMCDPQLWONIULI-QFIPXVFZSA-N 0 1 395.459 3.786 20 5 GHBDMN CC1(C)C[N@H+](C2(CNc3cc(C(=O)[O-])ccc3[N+](=O)[O-])CCCCC2)CCO1 ZINC000568515542 897901873 /nfs/dbraw/zinc/90/18/73/897901873.db2.gz WJFGVVKBIUFFOK-UHFFFAOYSA-N 0 1 391.468 3.519 20 5 GHBDMN CC(C)(C)OC(=O)CC[C@H]1CCCC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000823244895 898938089 /nfs/dbraw/zinc/93/80/89/898938089.db2.gz ZVABWFYJCIZXNY-AEFFLSMTSA-N 0 1 378.469 3.605 20 5 GHBDMN C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3nc(C4CCC4)n[nH]3)cc2[N+](=O)[O-])C1 ZINC000570012128 899071114 /nfs/dbraw/zinc/07/11/14/899071114.db2.gz FNEKHQSRTMEOBE-STQMWFEESA-N 0 1 398.467 3.715 20 5 GHBDMN C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3n[nH]c(C4CCC4)n3)cc2[N+](=O)[O-])C1 ZINC000570012128 899071127 /nfs/dbraw/zinc/07/11/27/899071127.db2.gz FNEKHQSRTMEOBE-STQMWFEESA-N 0 1 398.467 3.715 20 5 GHBDMN Cc1nc([C@@H]2CCCN(C(=O)c3n[nH]c(C(C)C)c3[N+](=O)[O-])C2)sc1C ZINC000331775987 899152374 /nfs/dbraw/zinc/15/23/74/899152374.db2.gz FANGORSFRKTPKW-GFCCVEGCSA-N 0 1 377.470 3.534 20 5 GHBDMN CC(C)c1nc([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2Cl)n[nH]1 ZINC000331838906 899201645 /nfs/dbraw/zinc/20/16/45/899201645.db2.gz BHFOGEJHWHIUER-AWEZNQCLSA-N 0 1 377.832 3.857 20 5 GHBDMN Cc1cccnc1[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000118840254 899481352 /nfs/dbraw/zinc/48/13/52/899481352.db2.gz BTZVWSGWNXVFRS-KRWDZBQOSA-N 0 1 376.844 3.877 20 5 GHBDMN Cc1ccc(C[C@H](C)N(C)C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)cc1 ZINC001136859811 899539200 /nfs/dbraw/zinc/53/92/00/899539200.db2.gz DLDRZASIYXLQQU-HNNXBMFYSA-N 0 1 378.432 3.997 20 5 GHBDMN CC1=CCN(CCNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000572307504 900131775 /nfs/dbraw/zinc/13/17/75/900131775.db2.gz PUMYJAKXBAKNKI-UHFFFAOYSA-N 0 1 380.317 3.708 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1 ZINC000157201713 900338809 /nfs/dbraw/zinc/33/88/09/900338809.db2.gz NXWALOREAJPODR-ZACQAIPSSA-N 0 1 384.480 3.763 20 5 GHBDMN O=C([O-])/C=C/c1ccc(NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000844209862 900604195 /nfs/dbraw/zinc/60/41/95/900604195.db2.gz YCOWJKJBZKYUDF-KOEDOTQGSA-N 0 1 381.432 3.627 20 5 GHBDMN C[C@](O)(CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(F)cc1 ZINC000157761000 900811286 /nfs/dbraw/zinc/81/12/86/900811286.db2.gz NTKQJMHCMHFAEM-IBGZPJMESA-N 0 1 387.436 3.855 20 5 GHBDMN COc1cc(CN2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000778944715 902051222 /nfs/dbraw/zinc/05/12/22/902051222.db2.gz WRYGPOUILGDWIX-AWEZNQCLSA-N 0 1 393.484 3.729 20 5 GHBDMN CCOC(=O)c1cnn(C2CCN(C/C=C\c3ccccc3[N+](=O)[O-])CC2)c1C ZINC000576983418 902407590 /nfs/dbraw/zinc/40/75/90/902407590.db2.gz CHEFEDXALZRLLO-VURMDHGXSA-N 0 1 398.463 3.627 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2nc(CN[C@@H]3COc4ccc(F)cc4C3)cs2)c1 ZINC000577022202 902438333 /nfs/dbraw/zinc/43/83/33/902438333.db2.gz RCVOBFAENHQXKF-HNNXBMFYSA-N 0 1 385.420 3.951 20 5 GHBDMN C[C@@H](CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)N1CCCC[C@H]1C ZINC000578951296 904248109 /nfs/dbraw/zinc/24/81/09/904248109.db2.gz NQLFXINWEATTAB-CVEARBPZSA-N 0 1 377.488 3.674 20 5 GHBDMN Cc1ccc([C@H](C)NCc2cccc(NC(=O)[C@H]3CCCO3)c2)cc1[N+](=O)[O-] ZINC000153386347 904359400 /nfs/dbraw/zinc/35/94/00/904359400.db2.gz UJCMRJSZEGLKCA-MGPUTAFESA-N 0 1 383.448 3.872 20 5 GHBDMN CCOc1ccc([C@@H](C)N[C@H]2CCN(c3ccc(C)cc3)C2=O)cc1[N+](=O)[O-] ZINC000773015870 904377761 /nfs/dbraw/zinc/37/77/61/904377761.db2.gz OULJDXGSYHFOJF-QAPCUYQASA-N 0 1 383.448 3.758 20 5 GHBDMN CC[C@@](C)(NCCC(=O)Nc1cccc([N+](=O)[O-])c1C)c1nc(C)cs1 ZINC000173940511 905167703 /nfs/dbraw/zinc/16/77/03/905167703.db2.gz KIBBABDQDUUHME-GOSISDBHSA-N 0 1 376.482 3.912 20 5 GHBDMN O=[N+]([O-])c1cc(CN2CC[C@@H](COCc3ccccc3)C2)c2c(c1)COCO2 ZINC000173988158 905177849 /nfs/dbraw/zinc/17/78/49/905177849.db2.gz KVYUXHQGADRREP-QGZVFWFLSA-N 0 1 384.432 3.500 20 5 GHBDMN CCOc1cc(CN2CC[C@](C)(CNC(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000801577636 921151857 /nfs/dbraw/zinc/15/18/57/921151857.db2.gz PGWWZYZPXPWKIW-HXUWFJFHSA-N 0 1 393.484 3.730 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CCC[C@H](Oc3cccnc3)C2)c1F ZINC001173189222 906269501 /nfs/dbraw/zinc/26/95/01/906269501.db2.gz JPNBFBVFZGZBNK-HOCLYGCPSA-N 0 1 389.427 3.612 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CC[C@H](Oc3cccc(C)n3)C2)c1F ZINC001173191485 906272939 /nfs/dbraw/zinc/27/29/39/906272939.db2.gz CNLPCENZEADORT-CABCVRRESA-N 0 1 389.427 3.530 20 5 GHBDMN CCn1c2ccccc2nc1N1CCN([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173236830 906348733 /nfs/dbraw/zinc/34/87/33/906348733.db2.gz FLBZORPKKXPVJN-KRWDZBQOSA-N 0 1 393.491 3.718 20 5 GHBDMN COc1cc(CN(C)CCc2ccncc2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000183759238 907455291 /nfs/dbraw/zinc/45/52/91/907455291.db2.gz RWSIUESFYCCDHS-UHFFFAOYSA-N 0 1 399.369 3.614 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCc2cc(Cl)ccc2C1 ZINC000192244361 907564560 /nfs/dbraw/zinc/56/45/60/907564560.db2.gz WCGDKNGPVZUYML-UHFFFAOYSA-N 0 1 389.839 3.644 20 5 GHBDMN Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CC[C@H](C(C)(C)O)C2)c([N+](=O)[O-])c1 ZINC001175883456 907791378 /nfs/dbraw/zinc/79/13/78/907791378.db2.gz VEWHSBOGUZASSD-PXNSSMCTSA-N 0 1 397.475 3.676 20 5 GHBDMN C[C@H]1CN(Cc2ccc([N+](=O)[O-])c(F)c2)CC[C@H]1CNC(=O)OC(C)(C)C ZINC001176699134 908215238 /nfs/dbraw/zinc/21/52/38/908215238.db2.gz HBOFAJKJLRBGNH-ZFWWWQNUSA-N 0 1 381.448 3.717 20 5 GHBDMN C[C@H]1CN(Cc2ccc(F)cc2[N+](=O)[O-])CC[C@@H]1CNC(=O)OC(C)(C)C ZINC001176698975 908215288 /nfs/dbraw/zinc/21/52/88/908215288.db2.gz DNWTURMCDIOTKW-UONOGXRCSA-N 0 1 381.448 3.717 20 5 GHBDMN CN(Cc1ccccc1)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC001179845725 909765540 /nfs/dbraw/zinc/76/55/40/909765540.db2.gz XTFDRCUKENSIJY-UHFFFAOYSA-N 0 1 382.201 3.831 20 5 GHBDMN O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000268246484 909809490 /nfs/dbraw/zinc/80/94/90/909809490.db2.gz PTWXLFYYMUBVNF-UHFFFAOYSA-N 0 1 395.394 3.539 20 5 GHBDMN COc1cccc(-c2cc(C(=O)N3CCc4cc(C)c([N+](=O)[O-])cc43)[nH]n2)c1 ZINC000773988408 911236558 /nfs/dbraw/zinc/23/65/58/911236558.db2.gz FZMBZQIFBHGRFU-UHFFFAOYSA-N 0 1 378.388 3.505 20 5 GHBDMN CC[C@@H](NCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1OC ZINC000775079068 914985197 /nfs/dbraw/zinc/98/51/97/914985197.db2.gz QLGMFHJUESPWLA-CQSZACIVSA-N 0 1 377.828 3.936 20 5 GHBDMN Cc1c(NC(=O)[C@H](C)N[C@H](C)[C@@H]2OCCc3sccc32)cccc1[N+](=O)[O-] ZINC000292089349 915511443 /nfs/dbraw/zinc/51/14/43/915511443.db2.gz NNKMUXCAEWHKHT-VBHSOAQHSA-N 0 1 389.477 3.584 20 5 GHBDMN C[N@H+]1CC[C@@]2(CCN(C(=O)c3cc(F)cc4c(=O)c5cc(F)ccc5[nH]c34)C2)C1 ZINC000293962522 916498577 /nfs/dbraw/zinc/49/85/77/916498577.db2.gz UAHYBPPINNJKAM-JOCHJYFZSA-N 0 1 397.425 3.540 20 5 GHBDMN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N(CCC(F)(F)F)CC1CC1 ZINC000294803046 916987793 /nfs/dbraw/zinc/98/77/93/916987793.db2.gz BKDOXHPAKDNZRQ-UHFFFAOYSA-N 0 1 382.342 3.790 20 5 GHBDMN C[C@@H](c1ccncc1)N1CCC(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000295172796 917186108 /nfs/dbraw/zinc/18/61/08/917186108.db2.gz FRNGAFDGFLYDCQ-ZDUSSCGKSA-N 0 1 388.855 3.599 20 5 GHBDMN CC(C)CC[C@H](O)CN1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC001190810656 917606215 /nfs/dbraw/zinc/60/62/15/917606215.db2.gz RHZRMACCZRIFFK-HNNXBMFYSA-N 0 1 389.418 3.533 20 5 GHBDMN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)Nc2ccc(OC(F)F)cc2)c1 ZINC000775471233 918107928 /nfs/dbraw/zinc/10/79/28/918107928.db2.gz SMOGOTPZEBQKIX-UHFFFAOYSA-N 0 1 392.767 3.959 20 5 GHBDMN O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3ccc4ccc(Cl)cc4n3)C2)nc1 ZINC001191765663 918173168 /nfs/dbraw/zinc/17/31/68/918173168.db2.gz ZSAVXHPMPLRPJX-INIZCTEOSA-N 0 1 383.839 3.878 20 5 GHBDMN CCN1CCN(c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000007268346 918958947 /nfs/dbraw/zinc/95/89/47/918958947.db2.gz GOIXMNBBYPAELK-UHFFFAOYSA-N 0 1 388.855 3.642 20 5 GHBDMN Cc1ccc(CN[C@H](C)c2cc(F)ccc2N2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000113357807 919369093 /nfs/dbraw/zinc/36/90/93/919369093.db2.gz FDZKHERBYCOHBS-OAHLLOKOSA-N 0 1 387.455 3.854 20 5 GHBDMN O=[N+]([O-])c1ccc(CN2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)cc1F ZINC000801535535 921105923 /nfs/dbraw/zinc/10/59/23/921105923.db2.gz JWELASAQILDFBO-INIZCTEOSA-N 0 1 381.411 3.899 20 5 GHBDMN C[C@@H](N[C@H](C)c1cccc(N2CCCS2(=O)=O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000903287914 922908325 /nfs/dbraw/zinc/90/83/25/922908325.db2.gz SVBKQLZLTPYVNN-HUUCEWRRSA-N 0 1 389.477 3.547 20 5 GHBDMN CN(C)Cc1ccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1F ZINC000749152747 924050642 /nfs/dbraw/zinc/05/06/42/924050642.db2.gz FLSOJNSBDUBINF-UHFFFAOYSA-N 0 1 386.427 3.648 20 5 GHBDMN O=C1OCCN1[C@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000826994769 924508486 /nfs/dbraw/zinc/50/84/86/924508486.db2.gz NGXCZURHQOPYDI-ZDUSSCGKSA-N 0 1 391.811 3.535 20 5 GHBDMN O=C(CSc1n[nH]c(CCC2CCCC2)n1)Nc1cc([N+](=O)[O-])ccc1F ZINC000012104508 925996390 /nfs/dbraw/zinc/99/63/90/925996390.db2.gz BJFRDQGCQRBLHM-UHFFFAOYSA-N 0 1 393.444 3.706 20 5 GHBDMN O=C(CSc1nc(CCC2CCCC2)n[nH]1)Nc1cc([N+](=O)[O-])ccc1F ZINC000012104508 925996394 /nfs/dbraw/zinc/99/63/94/925996394.db2.gz BJFRDQGCQRBLHM-UHFFFAOYSA-N 0 1 393.444 3.706 20 5 GHBDMN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000726601893 926757401 /nfs/dbraw/zinc/75/74/01/926757401.db2.gz SYYGCOXEHYXBRS-YJBOKZPZSA-N 0 1 393.484 3.741 20 5 GHBDMN Cc1ccc(C=Cc2n[nH]c(S[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)n2)o1 ZINC000012840921 927947583 /nfs/dbraw/zinc/94/75/83/927947583.db2.gz SWXBHHBUOXNOQJ-BZYZDCJZSA-N 0 1 399.432 3.904 20 5 GHBDMN Cc1[nH+]c2cc([N-]S(=O)(=O)c3cc([N+](=O)[O-])c(C)cc3Cl)ccc2n1C ZINC000752197251 928677860 /nfs/dbraw/zinc/67/78/60/928677860.db2.gz OYSSPTQUUUFADZ-UHFFFAOYSA-N 0 1 394.840 3.553 20 5 GHBDMN COc1cccc([C@@H]2C[C@H](C)CN2CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1 ZINC000544117283 928827477 /nfs/dbraw/zinc/82/74/77/928827477.db2.gz NJFYALRWPTXTDY-YWZLYKJASA-N 0 1 395.459 3.576 20 5 GHBDMN C[C@@H]1C[C@H](c2ccccc2)CN1CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000752794130 929024946 /nfs/dbraw/zinc/02/49/46/929024946.db2.gz VPFXDZBEWOSJLI-AEFFLSMTSA-N 0 1 380.448 3.672 20 5 GHBDMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000470346621 930548911 /nfs/dbraw/zinc/54/89/11/930548911.db2.gz RKGUMSOUKIBEBO-UHFFFAOYSA-N 0 1 376.432 3.691 20 5 GHBDMN COc1cc(Br)ccc1[C@@H](C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000470821555 930941059 /nfs/dbraw/zinc/94/10/59/930941059.db2.gz PXTIMWQAJGSEKM-SECBINFHSA-N 0 1 395.209 3.563 20 5 GHBDMN Cc1cc(Cl)c([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000782257647 931143985 /nfs/dbraw/zinc/14/39/85/931143985.db2.gz LKDHVPYOLOXYHD-UHFFFAOYSA-N 0 1 395.746 3.771 20 5 GHBDMN Cc1ccc([C@@H](C)NC(=O)N(C)CCCN(C)Cc2ccco2)cc1[N+](=O)[O-] ZINC000557884226 931738528 /nfs/dbraw/zinc/73/85/28/931738528.db2.gz PQRANXBWQUJPGG-MRXNPFEDSA-N 0 1 388.468 3.721 20 5 GHBDMN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(Cc3cc(F)ccc3[N+](=O)[O-])C[C@@H]21 ZINC000784531220 931926917 /nfs/dbraw/zinc/92/69/17/931926917.db2.gz ZZOHOUXSAQGWAD-XOKHGSTOSA-N 0 1 393.459 3.859 20 5 GHBDMN CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)c1 ZINC000558848362 932271365 /nfs/dbraw/zinc/27/13/65/932271365.db2.gz BYRQIKLCIRTPNM-QGZVFWFLSA-N 0 1 397.475 3.730 20 5 GHBDMN O=C(CN1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000798193680 932559003 /nfs/dbraw/zinc/55/90/03/932559003.db2.gz MDNLXZLCKFILEB-YXJHDRRASA-N 0 1 395.887 3.592 20 5 GHBDMN C[C@H](C(=O)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1)c1cccc([N+](=O)[O-])c1 ZINC000559374782 932637921 /nfs/dbraw/zinc/63/79/21/932637921.db2.gz KHDFQNSDKFNRCT-KBXCAEBGSA-N 0 1 391.431 3.847 20 5 GHBDMN C[C@H](C(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000559374782 932637927 /nfs/dbraw/zinc/63/79/27/932637927.db2.gz KHDFQNSDKFNRCT-KBXCAEBGSA-N 0 1 391.431 3.847 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2cc(NS(=O)(=O)C=Cc3ccccc3F)[nH]n2)c1 ZINC000799922596 933169519 /nfs/dbraw/zinc/16/95/19/933169519.db2.gz LNDUGGYGMNCDEC-CMDGGOBGSA-N 0 1 388.380 3.537 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2cc(NS(=O)(=O)C=Cc3ccccc3F)n[nH]2)c1 ZINC000799922596 933169522 /nfs/dbraw/zinc/16/95/22/933169522.db2.gz LNDUGGYGMNCDEC-CMDGGOBGSA-N 0 1 388.380 3.537 20 5 GHBDMN CCCc1[nH]nc(C(=O)N2CCC(Nc3ccccc3Cl)CC2)c1[N+](=O)[O-] ZINC001116022857 933289378 /nfs/dbraw/zinc/28/93/78/933289378.db2.gz FYSKHXNVIRUXAU-UHFFFAOYSA-N 0 1 391.859 3.641 20 5 GHBDMN CCn1c(C)nc([N+](=O)[O-])c1NCc1ccccc1CN(C)Cc1ccco1 ZINC000561682385 934361200 /nfs/dbraw/zinc/36/12/00/934361200.db2.gz JPJMDEKXYSGWFG-UHFFFAOYSA-N 0 1 383.452 3.957 20 5 GHBDMN CN1CCN(c2ccc([N+](=O)[O-])c(NC(=O)c3sccc3C3CC3)c2)CC1 ZINC001121160467 934576528 /nfs/dbraw/zinc/57/65/28/934576528.db2.gz PZJYYAZYFWKLNW-UHFFFAOYSA-N 0 1 386.477 3.538 20 5 GHBDMN Cc1cc([N+](=O)[O-])c(F)c(C(=O)NC[C@@H](c2ccc(Cl)cc2)N(C)C)c1F ZINC000829498899 935818528 /nfs/dbraw/zinc/81/85/28/935818528.db2.gz FSUQZDADTZSNSA-AWEZNQCLSA-N 0 1 397.809 3.868 20 5 GHBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@H](C)[C@H](C(=O)[O-])C2)cc1OC ZINC001603511929 973509969 /nfs/dbraw/zinc/50/99/69/973509969.db2.gz AOAIBDKBJCOSAG-OFQRWUPVSA-N 0 1 394.468 3.571 20 5 GHBDMN O=C(Nc1cc(F)cc(Cl)c1O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC001625779848 1014152635 /nfs/dbraw/zinc/15/26/35/1014152635.db2.gz VTNPUIJKKIKZFX-UHFFFAOYSA-N 0 1 376.731 3.735 20 5 GHBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)N[C@@H](CC1CCCC1)c1ccccc1 ZINC001188451813 1014971194 /nfs/dbraw/zinc/97/11/94/1014971194.db2.gz VMCFAGVZZJICLW-INIZCTEOSA-N 0 1 375.450 3.590 20 5 GHBDMN C[C@H](C(=O)[O-])[C@H]([NH2+]Cc1c(Br)cccc1[N+](=O)[O-])c1ccccc1 ZINC001589467215 986924336 /nfs/dbraw/zinc/92/43/36/986924336.db2.gz BBKRTRUISAFRPN-ZBEGNZNMSA-N 0 1 393.237 3.909 20 5 GHBDMN C[N@H+](Cc1ccc(OC(F)(F)F)cc1)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001598518774 992652334 /nfs/dbraw/zinc/65/23/34/992652334.db2.gz AAEOJPCBRQIVDT-UHFFFAOYSA-N 0 1 384.310 3.824 20 5 GHBDMN C[N@@H+](Cc1ccc(OC(F)(F)F)cc1)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001598518774 992652337 /nfs/dbraw/zinc/65/23/37/992652337.db2.gz AAEOJPCBRQIVDT-UHFFFAOYSA-N 0 1 384.310 3.824 20 5 GHBDMN CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001593942825 996973698 /nfs/dbraw/zinc/97/36/98/996973698.db2.gz PYTVNSUHXBYLBY-HXUWFJFHSA-N 0 1 397.475 3.683 20 5 GHBDMN CC1(C)CN(Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001593942825 996973712 /nfs/dbraw/zinc/97/37/12/996973712.db2.gz PYTVNSUHXBYLBY-HXUWFJFHSA-N 0 1 397.475 3.683 20 5 GHBDMN C[C@H](c1ccccn1)[N@H+]1CCC[C@@H](Oc2ncnc3cc(F)c([N+](=O)[O-])cc32)C1 ZINC001226808908 1032138314 /nfs/dbraw/zinc/13/83/14/1032138314.db2.gz ZFVLTOJGJWCDES-ZIAGYGMSSA-N 0 1 397.410 3.677 20 5 GHBDMN C[C@H](c1ccccn1)N1CCC[C@@H](Oc2ncnc3cc(F)c([N+](=O)[O-])cc32)C1 ZINC001226808908 1032138328 /nfs/dbraw/zinc/13/83/28/1032138328.db2.gz ZFVLTOJGJWCDES-ZIAGYGMSSA-N 0 1 397.410 3.677 20 5 GHBDMN Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000469043196 1016365615 /nfs/dbraw/zinc/36/56/15/1016365615.db2.gz NPNVHTVVLFWXSB-GFCCVEGCSA-N 0 1 385.449 3.891 20 5 GHBDMN CC(C)Oc1ccc2c(c1)oc1ccc(C(=O)N3CC(C)(N(C)C)C3)cc1c2=O ZINC001154567720 1032187770 /nfs/dbraw/zinc/18/77/70/1032187770.db2.gz BZBNVTYDQHQVDO-UHFFFAOYSA-N 0 1 394.471 3.510 20 5 GHBDMN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C2CCCC2)[C@H](C)C1 ZINC001154888228 1032328588 /nfs/dbraw/zinc/32/85/88/1032328588.db2.gz DEPKHYRFHALMRS-CQSZACIVSA-N 0 1 377.510 3.796 20 5 GHBDMN Cc1ccc2ccc(C(=O)n3c4ccccc4cc4c(=O)c(N)ccc3-4)c(O)c2n1 ZINC001155659063 1032626893 /nfs/dbraw/zinc/62/68/93/1032626893.db2.gz YUYUYXCVLUFPJC-UHFFFAOYSA-N 0 1 395.418 3.939 20 5 GHBDMN COC(=O)[C@@](C)(NCc1cc(O)ccc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000559155497 1017376963 /nfs/dbraw/zinc/37/69/63/1017376963.db2.gz NZJHOWCJIXPLIB-KRWDZBQOSA-N 0 1 399.230 3.785 20 5 GHBDMN O=C(N[C@@H]1CCc2nc(C3CCCCC3)[nH]c2C1)c1cc(F)ccc1[N+](=O)[O-] ZINC001155838387 1032735235 /nfs/dbraw/zinc/73/52/35/1032735235.db2.gz AOHIUFOGRPVMCH-CQSZACIVSA-N 0 1 386.427 3.792 20 5 GHBDMN Cc1ccc(CNC(=O)C2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)cc1F ZINC000047893507 1020146459 /nfs/dbraw/zinc/14/64/59/1020146459.db2.gz CYBUCYBDKQGQNW-UHFFFAOYSA-N 0 1 385.439 3.571 20 5 GHBDMN CCN(CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O)C1CCCC1 ZINC000795406931 1021054805 /nfs/dbraw/zinc/05/48/05/1021054805.db2.gz SCADSRAYRTZGRQ-UHFFFAOYSA-N 0 1 382.258 3.535 20 5 GHBDMN COc1cc([C@H](C)N[C@@H](C)c2cccc(N3CCOC3=O)c2)cc([N+](=O)[O-])c1 ZINC000903078270 1021574393 /nfs/dbraw/zinc/57/43/93/1021574393.db2.gz FCDYUIUTXMIFLF-KBPBESRZSA-N 0 1 385.420 3.972 20 5 GHBDMN O=[N+]([O-])c1ccc(N2CCN(CC[C@H]3CCCCO3)CC2)c(C(F)(F)F)c1 ZINC000754031999 1022434705 /nfs/dbraw/zinc/43/47/05/1022434705.db2.gz YPCAYXXCCZVQHC-OAHLLOKOSA-N 0 1 387.402 3.695 20 5 GHBDMN Cc1cc(C(=O)NC2CCN(Cc3c(C)ccc([N+](=O)[O-])c3C)CC2)c(C)o1 ZINC001204750285 1033065463 /nfs/dbraw/zinc/06/54/63/1033065463.db2.gz ZDWAQJXELBLPIO-UHFFFAOYSA-N 0 1 385.464 3.816 20 5 GHBDMN C[C@@H](Oc1nc(C(F)(F)F)cc(O)c1[N+](=O)[O-])c1cc(Br)no1 ZINC001228861046 1033145189 /nfs/dbraw/zinc/14/51/89/1033145189.db2.gz ZVJODKPJDXVURP-SCSAIBSYSA-N 0 1 398.091 3.605 20 5 GHBDMN COC(=O)c1c(O[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C)cccc1[N+](=O)[O-] ZINC001229046545 1033247206 /nfs/dbraw/zinc/24/72/06/1033247206.db2.gz SZKAFRIGUFSNES-DNVCBOLYSA-N 0 1 384.432 3.671 20 5 GHBDMN O=[N+]([O-])c1cccc(CN2CCC[C@@H](C[C@@H]3CCOC3)C2)c1Br ZINC000839537502 1026026763 /nfs/dbraw/zinc/02/67/63/1026026763.db2.gz XVEOKGYQQDELHZ-KBPBESRZSA-N 0 1 383.286 3.996 20 5 GHBDMN O=[N+]([O-])c1ccc(NCc2n[nH]c(-c3ccncc3)n2)nc1-c1ccc(F)cc1 ZINC001163519211 1026222498 /nfs/dbraw/zinc/22/24/98/1026222498.db2.gz AQUBFWBFJZLTFS-UHFFFAOYSA-N 0 1 391.366 3.588 20 5 GHBDMN COc1ccc([C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])c2ccc(C(F)(F)F)cc2)cc1 ZINC000839719978 1026227999 /nfs/dbraw/zinc/22/79/99/1026227999.db2.gz DRSPFLRRGSKSSN-ZACQAIPSSA-N 0 1 394.349 3.585 20 5 GHBDMN CC(C)c1nc(CC2CCN(c3ncc([N+](=O)[O-])cc3C(F)(F)F)CC2)n[nH]1 ZINC001163952440 1026370568 /nfs/dbraw/zinc/37/05/68/1026370568.db2.gz GABAHXCJTKGZCT-UHFFFAOYSA-N 0 1 398.389 3.709 20 5 GHBDMN CC(C)c1nnc(CC2CCN(c3ncc([N+](=O)[O-])cc3C(F)(F)F)CC2)[nH]1 ZINC001163952440 1026370581 /nfs/dbraw/zinc/37/05/81/1026370581.db2.gz GABAHXCJTKGZCT-UHFFFAOYSA-N 0 1 398.389 3.709 20 5 GHBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCC1(c2cccs2)CCCCC1 ZINC001209928209 1027279593 /nfs/dbraw/zinc/27/95/93/1027279593.db2.gz USALEUDUABTFRM-UHFFFAOYSA-N 0 1 398.481 3.976 20 5 GHBDMN COC(=O)c1cc(Br)c(Nc2ccc(O)c([N+](=O)[O-])c2)cc1OC ZINC001210400455 1027490689 /nfs/dbraw/zinc/49/06/89/1027490689.db2.gz HVADNECPPQZUTM-UHFFFAOYSA-N 0 1 397.181 3.602 20 5 GHBDMN C[C@@H](CNS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)CC(F)(F)F ZINC000841563422 1028733577 /nfs/dbraw/zinc/73/35/77/1028733577.db2.gz LXKRUJBOEAGXNK-ZCFIWIBFSA-N 0 1 395.186 3.768 20 5 GHBDMN COc1ccc(-c2nc(-c3ncccc3/C=C/N3CCCC3)no2)c([N+](=O)[O-])c1 ZINC001215417883 1029198872 /nfs/dbraw/zinc/19/88/72/1029198872.db2.gz CPFKXHZPWBZQCF-XYOKQWHBSA-N 0 1 393.403 3.782 20 5 GHBDMN CN1CCN(c2ccc(-c3noc(-c4ccc([N+](=O)[O-])c(Cl)c4)n3)cc2)CC1 ZINC001215800163 1029397200 /nfs/dbraw/zinc/39/72/00/1029397200.db2.gz UMPITCOTDONDJN-UHFFFAOYSA-N 0 1 399.838 3.717 20 5 GHBDMN CC[C@@H](c1ccccc1)N1CCN(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC001216101295 1029523955 /nfs/dbraw/zinc/52/39/55/1029523955.db2.gz KTDRGRIYCLSSAR-SFHVURJKSA-N 0 1 398.463 3.904 20 5 GHBDMN CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC001216142011 1029540506 /nfs/dbraw/zinc/54/05/06/1029540506.db2.gz WDIAQOQKUYQKNW-ZDUSSCGKSA-N 0 1 388.390 3.808 20 5 GHBDMN CC(C)C[C@H]1CN(C)CCN1C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC001216142011 1029540510 /nfs/dbraw/zinc/54/05/10/1029540510.db2.gz WDIAQOQKUYQKNW-ZDUSSCGKSA-N 0 1 388.390 3.808 20 5 GHBDMN COc1ccc(-c2noc(-c3cc(O)c(OC)cc3[N+](=O)[O-])n2)cc1Cl ZINC001216343693 1029609590 /nfs/dbraw/zinc/60/95/90/1029609590.db2.gz QVMZRHVHYIMGSM-UHFFFAOYSA-N 0 1 377.740 3.688 20 5 GHBDMN COc1cc([N+](=O)[O-])c(-c2nc(-c3cnc(C)cc3C(F)(F)F)no2)cc1O ZINC001216348992 1029611703 /nfs/dbraw/zinc/61/17/03/1029611703.db2.gz RSOUIOQHELMUKY-UHFFFAOYSA-N 0 1 396.281 3.748 20 5 GHBDMN COc1ccc(Br)c(-c2noc(-c3ccc(O)cc3[N+](=O)[O-])n2)c1 ZINC001216893398 1029983999 /nfs/dbraw/zinc/98/39/99/1029983999.db2.gz FOOBXDZDIRRFGA-UHFFFAOYSA-N 0 1 392.165 3.789 20 5 GHBDMN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001217146909 1030195631 /nfs/dbraw/zinc/19/56/31/1030195631.db2.gz JLAJOZWSFAENBX-WBVHZDCISA-N 0 1 398.463 3.951 20 5 GHBDMN Cc1cc(NC(=O)[C@@H](N)Cc2c3ccccc3cc3ccccc32)n(CCF)n1 ZINC001218743116 1031060809 /nfs/dbraw/zinc/06/08/09/1031060809.db2.gz GIVUQKKPJCJOPL-NRFANRHFSA-N 0 1 390.462 3.976 20 5 GHBDMN N[C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)NCc1ccc2nonc2c1 ZINC001219965723 1031721824 /nfs/dbraw/zinc/72/18/24/1031721824.db2.gz YPGRRISMEXTBEH-NRFANRHFSA-N 0 1 396.450 3.715 20 5 GHBDMN CC(=O)c1cc(Br)cc([N+](=O)[O-])c1O[C@@H]1CCCN(C(C)C)C1 ZINC001229233019 1033356886 /nfs/dbraw/zinc/35/68/86/1033356886.db2.gz PTKCXUKZEQDHRW-CYBMUJFWSA-N 0 1 385.258 3.812 20 5 GHBDMN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC(N(C)Cc2ccccc2)C1 ZINC001157527401 1033639901 /nfs/dbraw/zinc/63/99/01/1033639901.db2.gz FULRXFBLNQBZJX-UHFFFAOYSA-N 0 1 385.489 3.663 20 5 GHBDMN N[C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)N1CCc2cnccc2C1 ZINC001157567220 1033663244 /nfs/dbraw/zinc/66/32/44/1033663244.db2.gz JCFATNILKMCNKK-DEOSSOPVSA-N 0 1 381.479 3.843 20 5 GHBDMN COC(=O)c1cc(O[C@@H]2CCCN(Cc3ccccc3)C2)c(F)cc1[N+](=O)[O-] ZINC001229941575 1033805225 /nfs/dbraw/zinc/80/52/25/1033805225.db2.gz KERLVCIVFQDCBF-OAHLLOKOSA-N 0 1 388.395 3.564 20 5 GHBDMN Cc1c(Br)cnc(O[C@H]2CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC001230034971 1033859795 /nfs/dbraw/zinc/85/97/95/1033859795.db2.gz NRLZYSPGJJSPHW-AWEZNQCLSA-N 0 1 392.253 3.714 20 5 GHBDMN CC(C)(C)OC(=O)N1CCC[C@H](Oc2cc3[nH]ncc3cc2[N+](=O)[O-])[C@@H](F)C1 ZINC001230596944 1034139762 /nfs/dbraw/zinc/13/97/62/1034139762.db2.gz XNZKCUOKEQCPMS-WFASDCNBSA-N 0 1 394.403 3.588 20 5 GHBDMN CC(C)[N@H+]1CCC[C@@H](Oc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001231235564 1034475413 /nfs/dbraw/zinc/47/54/13/1034475413.db2.gz CCRJXXBPRGVXSH-LLVKDONJSA-N 0 1 377.319 3.773 20 5 GHBDMN CC(C)N1CCC[C@@H](Oc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001231235564 1034475417 /nfs/dbraw/zinc/47/54/17/1034475417.db2.gz CCRJXXBPRGVXSH-LLVKDONJSA-N 0 1 377.319 3.773 20 5 GHBDMN C[C@@H]1CN(Cc2ccc3ccc4cccnc4c3n2)CC[C@@]1(O)C(F)(F)F ZINC001232217881 1035167068 /nfs/dbraw/zinc/16/70/68/1035167068.db2.gz BAPILASLRGNKKR-YJYMSZOUSA-N 0 1 375.394 3.918 20 5 GHBDMN c1c(CN2CCCC2)nc2n1CCN(Cc1ccc3ccc4cccnc4c3n1)C2 ZINC001232220878 1035169344 /nfs/dbraw/zinc/16/93/44/1035169344.db2.gz TZXDCWHYXLRARA-UHFFFAOYSA-N 0 1 398.514 3.591 20 5 GHBDMN O=C(N[C@@H]1CCCN(Cc2ccc3ccc4cccnc4c3n2)C1)c1cccnc1 ZINC001232229007 1035173263 /nfs/dbraw/zinc/17/32/63/1035173263.db2.gz XAUVRNYBNJEBGS-HXUWFJFHSA-N 0 1 397.482 3.572 20 5 GHBDMN O=[N+]([O-])c1ccc2oc(CN[C@H]3CCN(c4ccc(F)c(Cl)c4)C3)nc2c1 ZINC001462002706 1069938778 /nfs/dbraw/zinc/93/87/78/1069938778.db2.gz RKCIZQFHACABGX-NSHDSACASA-N 0 1 390.802 3.897 20 5 GHBDMN O=[N+]([O-])c1cccc(Cc2nc(-c3ncccc3/C=C/N3CCCC3)no2)c1 ZINC001248329939 1035758536 /nfs/dbraw/zinc/75/85/36/1035758536.db2.gz AMLSKVWYOULOHY-XYOKQWHBSA-N 0 1 377.404 3.697 20 5 GHBDMN C[C@H](c1nc(-c2ccc(N3CCN(C)CC3)cc2)no1)c1ccc([N+](=O)[O-])cc1 ZINC001247605274 1038272749 /nfs/dbraw/zinc/27/27/49/1038272749.db2.gz XFSLYOUXFMOWMO-HNNXBMFYSA-N 0 1 393.447 3.548 20 5 GHBDMN CC(C)(C)OC(=O)[C@@H]1CCCCN1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254479271 1040266589 /nfs/dbraw/zinc/26/65/89/1040266589.db2.gz VWJHKJBYTGHSSL-IBGZPJMESA-N 0 1 389.496 3.760 20 5 GHBDMN COC(=O)[C@@H](C)Oc1cc(O)c(CC=C(C)C)c2oc3c(O)cccc3c(=O)c12 ZINC001234740769 1040266639 /nfs/dbraw/zinc/26/66/39/1040266639.db2.gz OCBZSBCXILYIME-GFCCVEGCSA-N 0 1 398.411 3.806 20 5 GHBDMN CC(C)=CCc1c(O)cc(OC2CC(=O)C2)c2c(=O)c3cccc(O)c3oc12 ZINC001234742057 1040267997 /nfs/dbraw/zinc/26/79/97/1040267997.db2.gz VFPIMAOEEYYKJD-UHFFFAOYSA-N 0 1 380.396 3.976 20 5 GHBDMN C[C@@H](Cc1ccccc1[N+](=O)[O-])NCC(=O)c1ccc(Br)cc1 ZINC001254530734 1040302531 /nfs/dbraw/zinc/30/25/31/1040302531.db2.gz ALAWXVPQASOYTG-LBPRGKRZSA-N 0 1 377.238 3.761 20 5 GHBDMN C[C@H](Cc1ccccc1[N+](=O)[O-])NC1(c2cccc(Br)c2)COC1 ZINC001254538643 1040310207 /nfs/dbraw/zinc/31/02/07/1040310207.db2.gz XXPKCNFHDISRJK-CYBMUJFWSA-N 0 1 391.265 3.804 20 5 GHBDMN O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1Cc3cnc(-c4ccc(F)cc4)nc3C1)C2 ZINC001254606837 1040378690 /nfs/dbraw/zinc/37/86/90/1040378690.db2.gz IHRBKEIYDICYFQ-IBGZPJMESA-N 0 1 376.391 3.674 20 5 GHBDMN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cccc(C[NH+]3CCCC3)c2)c1C ZINC001255351209 1040956669 /nfs/dbraw/zinc/95/66/69/1040956669.db2.gz GNZBLYLAYKGCAD-UHFFFAOYSA-N 0 1 389.477 3.608 20 5 GHBDMN CN1CCN(c2cc(-c3nnc(CC4CCCCC4)o3)cc([N+](=O)[O-])c2)CC1 ZINC001257082272 1043835365 /nfs/dbraw/zinc/83/53/65/1043835365.db2.gz BNCAHEXMKBJSCL-UHFFFAOYSA-N 0 1 385.468 3.519 20 5 GHBDMN C[C@@H]1CN(CCc2nnc(-c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)o2)C[C@H](C)O1 ZINC001258118082 1044405179 /nfs/dbraw/zinc/40/51/79/1044405179.db2.gz ANRHWGBFZDCUDK-OKILXGFUSA-N 0 1 398.419 3.557 20 5 GHBDMN O=C(N[C@H]1CCc2nc(C3CCCCC3)[nH]c2C1)c1cc([N+](=O)[O-])ccc1F ZINC001297051904 1045436101 /nfs/dbraw/zinc/43/61/01/1045436101.db2.gz WROPMWUKJYQPMS-ZDUSSCGKSA-N 0 1 386.427 3.792 20 5 GHBDMN Cc1c(C(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n[nH]c1C(F)(F)F ZINC001298142244 1045713081 /nfs/dbraw/zinc/71/30/81/1045713081.db2.gz OYSJAZWLZPFPCS-LBPRGKRZSA-N 0 1 382.342 3.665 20 5 GHBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@@](CO)(C(C)C)C2)cc1OC ZINC001261200210 1045916997 /nfs/dbraw/zinc/91/69/97/1045916997.db2.gz PXVVBCNPNBIZRT-HRAATJIYSA-N 0 1 394.512 3.869 20 5 GHBDMN CC[C@H](NC(=O)N(C)CCCN(C)Cc1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000499108385 1046142740 /nfs/dbraw/zinc/14/27/40/1046142740.db2.gz ZPTHVMZQJOYHAM-IBGZPJMESA-N 0 1 388.468 3.802 20 5 GHBDMN CCNc1ccc(C(=O)Nc2nc(-c3cccc(Cl)c3)n[nH]2)cc1[N+](=O)[O-] ZINC001264812346 1047460079 /nfs/dbraw/zinc/46/00/79/1047460079.db2.gz OJWCNKPANNFCAQ-UHFFFAOYSA-N 0 1 386.799 3.717 20 5 GHBDMN C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)[C@H](C)CN1Cc1ccccc1 ZINC001266227183 1047720237 /nfs/dbraw/zinc/72/02/37/1047720237.db2.gz XSNWYQGHGBKUQR-FTIBCMOBSA-N 0 1 393.487 3.820 20 5 GHBDMN CC(C)[C@@H]1CN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 ZINC001279363237 1047780640 /nfs/dbraw/zinc/78/06/40/1047780640.db2.gz AGFSCRFXFUOGSP-JQCPSUHGSA-N 0 1 393.487 3.977 20 5 GHBDMN CCCOc1cc(C)ccc1CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001463282096 1070960610 /nfs/dbraw/zinc/96/06/10/1070960610.db2.gz OPCBFKIPTWJDFG-UHFFFAOYSA-N 0 1 398.868 3.824 20 5 GHBDMN Cc1ccc([C@H]2CCN(CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C2)c(C)c1 ZINC001307742753 1049555103 /nfs/dbraw/zinc/55/51/03/1049555103.db2.gz UBOFHDWEKQZAEN-SFHVURJKSA-N 0 1 379.460 3.590 20 5 GHBDMN O=[N+]([O-])c1ccc(OC(F)F)c(CNCCc2nnc(-c3ccccc3)o2)c1 ZINC001308339618 1049952822 /nfs/dbraw/zinc/95/28/22/1049952822.db2.gz HNRUUCQUMKAARV-UHFFFAOYSA-N 0 1 390.346 3.579 20 5 GHBDMN CC[C@H](COCC(F)(F)F)NCc1cc(Br)c([N+](=O)[O-])s1 ZINC001308780078 1050090794 /nfs/dbraw/zinc/09/07/94/1050090794.db2.gz GVRCQJLURRMMNZ-SSDOTTSWSA-N 0 1 391.209 3.866 20 5 GHBDMN C[C@H](C[C@@H](C)NC(=O)OC(C)(C)C)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001308837354 1050117066 /nfs/dbraw/zinc/11/70/66/1050117066.db2.gz WQGXWIKVCYWEJQ-VXGBXAGGSA-N 0 1 378.429 3.517 20 5 GHBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCC1(c2ccc(Cl)cc2)CCC1 ZINC001309142703 1050396539 /nfs/dbraw/zinc/39/65/39/1050396539.db2.gz RMSOJDOOQQMFNY-UHFFFAOYSA-N 0 1 398.843 3.788 20 5 GHBDMN CCS[C@@H]1CCCC[C@H]1NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC001309280057 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VZDHOZGJWYNCFA-UHFFFAOYSA-N 0 1 396.491 3.896 20 5 GHBDMN COc1cc(NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)cc2cccnc21 ZINC001450364734 1060582169 /nfs/dbraw/zinc/58/21/69/1060582169.db2.gz ZBXZTOCYRWVKJS-UHFFFAOYSA-N 0 1 389.371 3.794 20 5 GHBDMN C[C@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001454395627 1061750153 /nfs/dbraw/zinc/75/01/53/1061750153.db2.gz COTHNOKLHSKYME-KSSFIOAISA-N 0 1 387.867 3.889 20 5 GHBDMN O=[N+]([O-])c1c2ccncc2ccc1N1CCCN(Cc2ccc(F)cc2)CC1 ZINC001458079450 1063551731 /nfs/dbraw/zinc/55/17/31/1063551731.db2.gz DPQIMOUGCBPNPU-UHFFFAOYSA-N 0 1 380.423 3.994 20 5 GHBDMN COc1ccc2ncc([N+](=O)[O-])c(N3CCN(C)[C@H](Cc4ccccc4)C3)c2c1 ZINC001458367839 1063766780 /nfs/dbraw/zinc/76/67/80/1063766780.db2.gz KUPGMQZXXRDSNP-QGZVFWFLSA-N 0 1 392.459 3.515 20 5 GHBDMN O=[N+]([O-])c1cnc2ccc(Cl)cc2c1NC[C@H]1CCN1Cc1ccccc1 ZINC001458497648 1063848366 /nfs/dbraw/zinc/84/83/66/1063848366.db2.gz BQDGVXBZXCPFCQ-MRXNPFEDSA-N 0 1 382.851 3.905 20 5 GHBDMN 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/nfs/dbraw/zinc/69/69/66/1068696966.db2.gz RKQGJHXTBBTOTF-FQEVSTJZSA-N 0 1 397.475 3.578 20 5 GHBDMN CC(C)(C)OC(=O)N1CCCC[C@@]12CCN(Cc1ccccc1[N+](=O)[O-])C2 ZINC001460815439 1069197737 /nfs/dbraw/zinc/19/77/37/1069197737.db2.gz CQDXFHBWBRZYFJ-FQEVSTJZSA-N 0 1 375.469 3.960 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1CN(C)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001460957917 1069297078 /nfs/dbraw/zinc/29/70/78/1069297078.db2.gz BCZAZKLJXNSGLF-UHFFFAOYSA-N 0 1 393.484 3.682 20 5 GHBDMN Cc1cccc(CN2CC[C@H](NC(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC001470711436 1072697853 /nfs/dbraw/zinc/69/78/53/1072697853.db2.gz NBNJPBVOXDNXFO-WMZOPIPTSA-N 0 1 399.516 3.775 20 5 GHBDMN O=[N+]([O-])c1ccc(OC2CCN(Cc3ccc4c(c3)OC(F)(F)O4)CC2)cc1 ZINC001473193847 1073846169 /nfs/dbraw/zinc/84/61/69/1073846169.db2.gz SGDBXCTUBMABLK-UHFFFAOYSA-N 0 1 392.358 3.960 20 5 GHBDMN Cc1ccc([C@@H](CC(F)(F)F)NC[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC001473354069 1073933388 /nfs/dbraw/zinc/93/33/88/1073933388.db2.gz 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C[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccc(Oc2cccnc2)cc1 ZINC000582009619 837771111 /nfs/dbraw/zinc/77/11/11/837771111.db2.gz RTTHTEDKSBOBLX-CYBMUJFWSA-N 0 1 379.372 3.979 20 5 GHBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000092785960 834890851 /nfs/dbraw/zinc/89/08/51/834890851.db2.gz AQRVPXMQBRJYBZ-AWEZNQCLSA-N 0 1 398.394 3.869 20 5 GHBDMN CC(=O)N(C)C1CCN(Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000120469590 835398477 /nfs/dbraw/zinc/39/84/77/835398477.db2.gz RAYYGKKVYHITRL-UHFFFAOYSA-N 0 1 396.491 3.805 20 5 GHBDMN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000188182444 835438507 /nfs/dbraw/zinc/43/85/07/835438507.db2.gz FMUZLLBBBBVPPL-UHFFFAOYSA-N 0 1 376.825 3.972 20 5 GHBDMN COC[C@@H](C)N[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000003284546 835650457 /nfs/dbraw/zinc/65/04/57/835650457.db2.gz XEGRIMOWSHYSAU-SJKOYZFVSA-N 0 1 377.828 3.553 20 5 GHBDMN C[C@@H](N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1cccc(OC(F)F)c1 ZINC000179594787 835895229 /nfs/dbraw/zinc/89/52/29/835895229.db2.gz PRXOAISUOQWNMM-NEPJUHHUSA-N 0 1 379.363 3.874 20 5 GHBDMN CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000548928084 836193617 /nfs/dbraw/zinc/19/36/17/836193617.db2.gz OLMISYCEAZSOKJ-GOSISDBHSA-N 0 1 383.492 3.895 20 5 GHBDMN O=[N+]([O-])c1ccccc1OCCN(CCc1ccccn1)Cc1cccnc1 ZINC000430340410 836726246 /nfs/dbraw/zinc/72/62/46/836726246.db2.gz FOHYKZFSOGWAON-UHFFFAOYSA-N 0 1 378.432 3.509 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)[C@@H](C)c1cc(F)ccc1F ZINC000053126909 836770000 /nfs/dbraw/zinc/77/00/00/836770000.db2.gz LHMGFBCVALJYLD-LBPRGKRZSA-N 0 1 393.390 3.903 20 5 GHBDMN COc1cccc([C@H](C)CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)c1 ZINC000175542832 836887922 /nfs/dbraw/zinc/88/79/22/836887922.db2.gz SQJPOZVVVDNCGA-GFCCVEGCSA-N 0 1 381.392 3.521 20 5 GHBDMN Cc1ccc(S(=O)(=O)C[C@@H](C)N[C@@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000547832075 837190080 /nfs/dbraw/zinc/19/00/80/837190080.db2.gz KHKOCAWRUWEKQC-CVEARBPZSA-N 0 1 376.478 3.725 20 5 GHBDMN Cc1ccc(C[C@@H](CO)NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000188966052 838021550 /nfs/dbraw/zinc/02/15/50/838021550.db2.gz PXDQSCPTNAEPLF-KRWDZBQOSA-N 0 1 383.473 3.720 20 5 GHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC[C@@H]1Cc1cc(F)ccc1F ZINC000416040754 838446508 /nfs/dbraw/zinc/44/65/08/838446508.db2.gz CBYQGQYOIDRPNU-CYBMUJFWSA-N 0 1 386.358 3.597 20 5 GHBDMN O=C(NCCN1CCCCCC1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000548073596 839219274 /nfs/dbraw/zinc/21/92/74/839219274.db2.gz WCXYPAVKPXFYNC-UHFFFAOYSA-N 0 1 399.441 3.565 20 5 GHBDMN CC(C)Oc1cc(C(=O)Nc2cccc(N3CCC[NH+]=C3[O-])c2)ccc1[N+](=O)[O-] ZINC000412153289 839840852 /nfs/dbraw/zinc/84/08/52/839840852.db2.gz WJBGZXNEMAMMCM-UHFFFAOYSA-N 0 1 398.419 3.554 20 5 GHBDMN COc1cccc([C@H]2[C@H](Nc3nc4sccn4c3[N+](=O)[O-])CCN2C2CC2)c1 ZINC000302076124 861198725 /nfs/dbraw/zinc/19/87/25/861198725.db2.gz WGZKNTQSNRRMOG-CVEARBPZSA-N 0 1 399.476 3.703 20 5 GHBDMN CCN1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C[C@H]1C ZINC000500111307 841464752 /nfs/dbraw/zinc/46/47/52/841464752.db2.gz IEWWBKLSOMRCLZ-IAGOWNOFSA-N 0 1 396.491 3.762 20 5 GHBDMN CCOc1ccc(C(=O)Nc2ccc3nc([C@@H]4CCCO4)[nH]c3c2)cc1[N+](=O)[O-] ZINC000109021028 841767830 /nfs/dbraw/zinc/76/78/30/841767830.db2.gz VNXBKUFTDLHPJL-SFHVURJKSA-N 0 1 396.403 3.974 20 5 GHBDMN CN1CCN(c2ccc(CNc3c(Cl)cc([N+](=O)[O-])cc3Cl)cn2)CC1 ZINC000302236797 861245150 /nfs/dbraw/zinc/24/51/50/861245150.db2.gz JXSINJIXIJHXKC-UHFFFAOYSA-N 0 1 396.278 3.661 20 5 GHBDMN CCc1nc([C@@H](C)NC(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)n[nH]1 ZINC000477292327 841969569 /nfs/dbraw/zinc/96/95/69/841969569.db2.gz HVQIPPKOICIIST-GFCCVEGCSA-N 0 1 391.497 3.905 20 5 GHBDMN CC(C)CNC(=O)C1(NCc2cc([N+](=O)[O-])ccc2C(F)(F)F)CCCC1 ZINC001167829135 842119430 /nfs/dbraw/zinc/11/94/30/842119430.db2.gz JDIPUHPMPVCDGN-UHFFFAOYSA-N 0 1 387.402 3.788 20 5 GHBDMN Cc1coc(-c2cc(NS(=O)(=O)c3ccc([N+](=O)[O-])c(C)c3)ccc2C)n1 ZINC000178146376 842214068 /nfs/dbraw/zinc/21/40/68/842214068.db2.gz BVNFGENQUKTKBR-UHFFFAOYSA-N 0 1 387.417 3.976 20 5 GHBDMN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NCC1(C(F)(F)F)CCCC1 ZINC000599502629 861287591 /nfs/dbraw/zinc/28/75/91/861287591.db2.gz BKUZZAODPUFOTK-UHFFFAOYSA-N 0 1 386.779 3.649 20 5 GHBDMN Cc1cc(C[C@@H](C)NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)n[nH]1 ZINC000161900445 861289676 /nfs/dbraw/zinc/28/96/76/861289676.db2.gz YLSUOCZSZBYTJM-CYBMUJFWSA-N 0 1 379.420 3.731 20 5 GHBDMN COc1ccc([C@@H]2CCN(Cc3cc(OC)c(OC)cc3[N+](=O)[O-])C2)cc1F ZINC000600215005 861292111 /nfs/dbraw/zinc/29/21/11/861292111.db2.gz XODDMYUHDFYKRD-CQSZACIVSA-N 0 1 390.411 3.749 20 5 GHBDMN COC(=O)c1cnc(C2CCN([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)s1 ZINC000599554428 861329414 /nfs/dbraw/zinc/32/94/14/861329414.db2.gz DLILTRRIGMQVMR-GFCCVEGCSA-N 0 1 375.450 3.779 20 5 GHBDMN COc1ccc(C(C)(C)NCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1F ZINC000599599399 861397524 /nfs/dbraw/zinc/39/75/24/861397524.db2.gz PZRYAAFRQWVHSB-UHFFFAOYSA-N 0 1 375.400 3.514 20 5 GHBDMN O=c1nc(-c2cccc([N+](=O)[O-])c2)[nH]c2cc(-c3ccc4c(c3)OCO4)sc21 ZINC000603918325 861399811 /nfs/dbraw/zinc/39/98/11/861399811.db2.gz FBNVKKFIZHJSPO-UHFFFAOYSA-N 0 1 393.380 3.956 20 5 GHBDMN Cc1ccc(C[NH+]2CCCC2)cc1[N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000131464043 861408336 /nfs/dbraw/zinc/40/83/36/861408336.db2.gz SFYKMJGQNBNRDL-UHFFFAOYSA-N 0 1 389.477 3.608 20 5 GHBDMN CS(=O)(=O)C1(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCC1 ZINC000279837065 843416817 /nfs/dbraw/zinc/41/68/17/843416817.db2.gz QTPSODAVGBTUQZ-UHFFFAOYSA-N 0 1 398.868 3.565 20 5 GHBDMN COc1c(F)cc(S(=O)(=O)Nc2ccc3occ(C)c3c2)cc1[N+](=O)[O-] ZINC000187653142 843484910 /nfs/dbraw/zinc/48/49/10/843484910.db2.gz VBEJXOAWMFTJMF-UHFFFAOYSA-N 0 1 380.353 3.598 20 5 GHBDMN COC[C@@H](NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000433209221 843870951 /nfs/dbraw/zinc/87/09/51/843870951.db2.gz QUDWARJQKPODHL-MJGOQNOKSA-N 0 1 390.411 3.810 20 5 GHBDMN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000843812991 861575802 /nfs/dbraw/zinc/57/58/02/861575802.db2.gz FMDNBFHZLVPODQ-INIZCTEOSA-N 0 1 379.819 3.728 20 5 GHBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ncc(C)c(-c2ccccc2)n1 ZINC000433154250 845520696 /nfs/dbraw/zinc/52/06/96/845520696.db2.gz AQKFIHRUEZKHLP-UHFFFAOYSA-N 0 1 398.444 3.723 20 5 GHBDMN COc1cc(C(=O)Nc2cc(C)cc(Br)c2O)ccc1[N+](=O)[O-] ZINC000182933968 845692491 /nfs/dbraw/zinc/69/24/91/845692491.db2.gz JBVQMINJIQNDSC-UHFFFAOYSA-N 0 1 381.182 3.632 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@@]3(CCCc4ccccc43)C2)c1[N+](=O)[O-] ZINC000434012448 845725544 /nfs/dbraw/zinc/72/55/44/845725544.db2.gz PAQSGCAYHUQAKV-NRFANRHFSA-N 0 1 382.464 3.952 20 5 GHBDMN CN1CCN(c2ccc(Br)cc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000320783415 846019208 /nfs/dbraw/zinc/01/92/08/846019208.db2.gz JMAVJAPULKJFOE-QGZVFWFLSA-N 0 1 376.254 3.850 20 5 GHBDMN Cc1ccc(Sc2ccc(C(=O)NCCCc3nc[nH]n3)cc2[N+](=O)[O-])cc1 ZINC000582029895 846104733 /nfs/dbraw/zinc/10/47/33/846104733.db2.gz QZZCDXFBLXBUOB-UHFFFAOYSA-N 0 1 397.460 3.535 20 5 GHBDMN COc1cc(CN[C@@]2(Cc3ccc(Cl)cc3)CCOC2)c([N+](=O)[O-])cc1F ZINC000502604025 846245891 /nfs/dbraw/zinc/24/58/91/846245891.db2.gz YMXBQPIRKOFOEI-LJQANCHMSA-N 0 1 394.830 3.887 20 5 GHBDMN O=C(Cc1ccccc1)N1CCC[C@@H](NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000509955752 846357100 /nfs/dbraw/zinc/35/71/00/846357100.db2.gz FQGWGKKDWKOKPF-QGZVFWFLSA-N 0 1 387.867 3.572 20 5 GHBDMN Cc1cc(Cl)c(S(=O)(=O)Nc2ccc3scnc3c2)cc1[N+](=O)[O-] ZINC000176658315 846883082 /nfs/dbraw/zinc/88/30/82/846883082.db2.gz QTZIWMSPMIXPBM-UHFFFAOYSA-N 0 1 383.838 3.967 20 5 GHBDMN COc1ccc(Cl)cc1CNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000237099731 847170310 /nfs/dbraw/zinc/17/03/10/847170310.db2.gz AAYYZHCNTMWPIN-UHFFFAOYSA-N 0 1 386.839 3.947 20 5 GHBDMN N=C1Nc2nc3ccccc3n2[C@@H](c2ccc(-c3ccc([N+](=O)[O-])cc3)s2)N1 ZINC000023623116 847329582 /nfs/dbraw/zinc/32/95/82/847329582.db2.gz LKOCDTIQERVBMS-KRWDZBQOSA-N 0 1 390.428 3.960 20 5 GHBDMN C[C@H](NC(=O)NC[C@@H](c1ccco1)N1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000604120672 861800851 /nfs/dbraw/zinc/80/08/51/861800851.db2.gz YUEDCCJJIQEFJQ-YJBOKZPZSA-N 0 1 386.452 3.775 20 5 GHBDMN CC(=O)c1ccc(Sc2nc(-c3ccc4c(c3)OCCO4)n[nH]2)c([N+](=O)[O-])c1 ZINC000503275570 847543047 /nfs/dbraw/zinc/54/30/47/847543047.db2.gz NZPJHPKAWDVFOD-UHFFFAOYSA-N 0 1 398.400 3.505 20 5 GHBDMN C[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccccc1OC(F)F ZINC000481598746 861820720 /nfs/dbraw/zinc/82/07/20/861820720.db2.gz OIGSKTJAUYJWOK-VIFPVBQESA-N 0 1 376.319 3.564 20 5 GHBDMN CCN(CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@@H](C)Cc1ccsc1 ZINC000187805498 848274636 /nfs/dbraw/zinc/27/46/36/848274636.db2.gz RIJJNMVBJYJSDP-ZDUSSCGKSA-N 0 1 377.466 3.557 20 5 GHBDMN Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)Cc3cc([O-])ccc3[N+](=O)[O-])C2)s1 ZINC000582849266 848554340 /nfs/dbraw/zinc/55/43/40/848554340.db2.gz TYJPEYSXINYPBL-HNNXBMFYSA-N 0 1 375.494 3.624 20 5 GHBDMN CCN(C[C@H]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1)CC(F)(F)F ZINC000176408155 849109023 /nfs/dbraw/zinc/10/90/23/849109023.db2.gz BBZNKJIGMFKGAY-GFCCVEGCSA-N 0 1 379.810 3.954 20 5 GHBDMN O=[N+]([O-])c1ccc2oc(-c3nc(Cc4nnc(-c5ccccc5)[nH]4)no3)cc2c1 ZINC000545086265 862125094 /nfs/dbraw/zinc/12/50/94/862125094.db2.gz DPGJUGZIVZXHMK-UHFFFAOYSA-N 0 1 388.343 3.767 20 5 GHBDMN CCOc1ccc([C@@H](C)N[C@@H](CC(=O)N(C)C)c2ccccc2)cc1[N+](=O)[O-] ZINC000504912436 850443469 /nfs/dbraw/zinc/44/34/69/850443469.db2.gz WFBVWDSVBDUGAG-QAPCUYQASA-N 0 1 385.464 3.864 20 5 GHBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CSc1nc(C=Cc2ccccc2)n[nH]1 ZINC000514969122 850557189 /nfs/dbraw/zinc/55/71/89/850557189.db2.gz WQCOSTSFOLFSCQ-KHPPLWFESA-N 0 1 395.444 3.923 20 5 GHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC(c2nc3ccccc3o2)CC1 ZINC000028063412 851017253 /nfs/dbraw/zinc/01/72/53/851017253.db2.gz QGUZNEALHMELMR-UHFFFAOYSA-N 0 1 391.387 3.632 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@H]1Cc1ccccc1C ZINC000514190757 851383290 /nfs/dbraw/zinc/38/32/90/851383290.db2.gz UGKFROLOWYGYFD-KRWDZBQOSA-N 0 1 383.448 3.557 20 5 GHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC[C@@](F)(c2cccc(Cl)c2)C1 ZINC000514228597 851428556 /nfs/dbraw/zinc/42/85/56/851428556.db2.gz HIJBYOOIGNBVPM-SFHVURJKSA-N 0 1 388.786 3.835 20 5 GHBDMN CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000505787508 851438337 /nfs/dbraw/zinc/43/83/37/851438337.db2.gz OSHBHRIFHJLXAE-UHFFFAOYSA-N 0 1 398.394 3.534 20 5 GHBDMN O=C1[C@H](NCc2cccc([N+](=O)[O-])c2)CCN1c1ccc(Cl)cc1Cl ZINC000473671755 851567493 /nfs/dbraw/zinc/56/74/93/851567493.db2.gz WQGARGXAUAJDGD-OAHLLOKOSA-N 0 1 380.231 3.797 20 5 GHBDMN CCN(CC)[C@@H](CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])c1ccco1 ZINC000488545527 851600130 /nfs/dbraw/zinc/60/01/30/851600130.db2.gz PIIRRYIIBFDAJU-KRWDZBQOSA-N 0 1 388.468 3.805 20 5 GHBDMN Cc1c(NC(=O)[C@@H](C)N2CC3(CCC3)[C@@H]2C2CCOCC2)cccc1[N+](=O)[O-] ZINC000425546316 851613516 /nfs/dbraw/zinc/61/35/16/851613516.db2.gz DPXMMRLLYPVBQT-BEFAXECRSA-N 0 1 387.480 3.511 20 5 GHBDMN COc1ccc(-c2nnc(SCc3cc(O)ccc3[N+](=O)[O-])o2)cc1OC ZINC000436475286 851962991 /nfs/dbraw/zinc/96/29/91/851962991.db2.gz OEPKQQBBVNKRRG-UHFFFAOYSA-N 0 1 389.389 3.660 20 5 GHBDMN CCc1ccc([C@@H](NCC2(COC)CCOCC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000425951624 852046859 /nfs/dbraw/zinc/04/68/59/852046859.db2.gz NGCRGGLTCVSTJQ-FQEVSTJZSA-N 0 1 388.464 3.872 20 5 GHBDMN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000843757488 852059215 /nfs/dbraw/zinc/05/92/15/852059215.db2.gz BBCSDDFQYLSPQC-OAHLLOKOSA-N 0 1 377.441 3.671 20 5 GHBDMN O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436628067 852121301 /nfs/dbraw/zinc/12/13/01/852121301.db2.gz NXCZJKAJTSTQHB-QGZVFWFLSA-N 0 1 389.839 3.521 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000489771550 852598337 /nfs/dbraw/zinc/59/83/37/852598337.db2.gz HQXCTHRUKVVMKN-CYBMUJFWSA-N 0 1 398.385 3.735 20 5 GHBDMN Cn1ccnc1[C@H](NC[C@@H]1CCCO[C@H]1C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000517906571 852606323 /nfs/dbraw/zinc/60/63/23/852606323.db2.gz DCXOQWXMUNTAQQ-QXAKKESOSA-N 0 1 386.496 3.849 20 5 GHBDMN COc1ccc(NC(=O)[C@H](C)N2CC[C@@H](c3ccccc3C)C2)c([N+](=O)[O-])c1 ZINC000507195661 852666591 /nfs/dbraw/zinc/66/65/91/852666591.db2.gz KELYCWGNDXLLJJ-JKSUJKDBSA-N 0 1 383.448 3.728 20 5 GHBDMN C[C@@H](N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc2n[nH]cc2c1 ZINC000507245201 852712879 /nfs/dbraw/zinc/71/28/79/852712879.db2.gz WWDOXESYEBTKQH-MNOVXSKESA-N 0 1 387.827 3.802 20 5 GHBDMN O=C(Nc1ccnn1Cc1ccc(Cl)c(F)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000506356733 852849939 /nfs/dbraw/zinc/84/99/39/852849939.db2.gz PBFIQYWEABCXBX-UHFFFAOYSA-N 0 1 390.758 3.590 20 5 GHBDMN CC[C@@H](C)c1nc([C@H](C)NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])n[nH]1 ZINC000490280112 852915521 /nfs/dbraw/zinc/91/55/21/852915521.db2.gz VLYVBQVFDJBKOT-MNOVXSKESA-N 0 1 395.847 3.526 20 5 GHBDMN Cc1c(CC(=O)Nc2nc3ccc(C(F)(F)F)cc3[nH]2)cccc1[N+](=O)[O-] ZINC000490330434 852959041 /nfs/dbraw/zinc/95/90/41/852959041.db2.gz MXWQVUYJKDTYBP-UHFFFAOYSA-N 0 1 378.310 3.980 20 5 GHBDMN Cc1ccc(CSCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1 ZINC000490362951 852963350 /nfs/dbraw/zinc/96/33/50/852963350.db2.gz HNMZPDUFQNMDBB-UHFFFAOYSA-N 0 1 383.433 3.560 20 5 GHBDMN Cc1cc(F)cc(C(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000151050707 852998975 /nfs/dbraw/zinc/99/89/75/852998975.db2.gz CBEHRHMBECEKOA-INIZCTEOSA-N 0 1 385.439 3.779 20 5 GHBDMN Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000437476794 853179937 /nfs/dbraw/zinc/17/99/37/853179937.db2.gz FSFFCPDFSXUCCS-YWZLYKJASA-N 0 1 394.431 3.677 20 5 GHBDMN CC[C@@](C)(O)CN(Cc1ccccc1)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000439263490 853482243 /nfs/dbraw/zinc/48/22/43/853482243.db2.gz XVBHMGHTBQKUMV-HXUWFJFHSA-N 0 1 376.428 3.906 20 5 GHBDMN Cc1ccc2nc([C@@H]3CCCN3C(=O)CCNc3ccccc3[N+](=O)[O-])[nH]c2c1 ZINC000519937333 853648879 /nfs/dbraw/zinc/64/88/79/853648879.db2.gz KMBHAVOSRQSOLB-IBGZPJMESA-N 0 1 393.447 3.945 20 5 GHBDMN Cc1ccc(NC(=O)c2cc3ccccc3cc2NS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000732880444 862569153 /nfs/dbraw/zinc/56/91/53/862569153.db2.gz PKQTVRMMAZEJNR-UHFFFAOYSA-N 0 1 399.428 3.680 20 5 GHBDMN COCC(=O)Nc1cccc(CN[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c1 ZINC000572462418 854534942 /nfs/dbraw/zinc/53/49/42/854534942.db2.gz HMULSYUCOICAQH-LJQANCHMSA-N 0 1 383.448 3.692 20 5 GHBDMN CCOc1cc(CN2CC[C@](CO)(Cc3ccc(F)cc3)C2)ccc1[N+](=O)[O-] ZINC000588985436 854629903 /nfs/dbraw/zinc/62/99/03/854629903.db2.gz YZJBXGTYFCFAQT-NRFANRHFSA-N 0 1 388.439 3.560 20 5 GHBDMN O=C(c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl)N1CCC(c2cnc[nH]2)CC1 ZINC000896885938 862597728 /nfs/dbraw/zinc/59/77/28/862597728.db2.gz ZDPBEMSURQFBRA-UHFFFAOYSA-N 0 1 387.198 3.784 20 5 GHBDMN CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](c1cccc(OC)c1)N(C)C ZINC000589374113 854814418 /nfs/dbraw/zinc/81/44/18/854814418.db2.gz VLDGQCGEYVEMEI-LJQANCHMSA-N 0 1 386.452 3.590 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2nnc(CN3CCC[C@H]3Cc3cccc(F)c3)o2)cc1 ZINC000120904741 854858497 /nfs/dbraw/zinc/85/84/97/854858497.db2.gz OQZDJZMUUBMFOY-SFHVURJKSA-N 0 1 382.395 3.991 20 5 GHBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN(CCCO)[C@H]2CCCc3ccccc32)c1 ZINC000589503481 854911970 /nfs/dbraw/zinc/91/19/70/854911970.db2.gz RWWOKTZDKIJAHF-NRFANRHFSA-N 0 1 398.459 3.643 20 5 GHBDMN Cc1ccc2nc([C@H]3CCCN(CC(=O)Nc4ccccc4[N+](=O)[O-])C3)[nH]c2c1 ZINC000130873482 855327687 /nfs/dbraw/zinc/32/76/87/855327687.db2.gz VFSFBXCABLDLHP-HNNXBMFYSA-N 0 1 393.447 3.598 20 5 GHBDMN Cc1n[nH]c(C(F)(F)F)c1C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000590870935 855637545 /nfs/dbraw/zinc/63/75/45/855637545.db2.gz MDCMQWLUEDDBJN-GFCCVEGCSA-N 0 1 382.342 3.665 20 5 GHBDMN Cn1cc([C@H]2CN(Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)CC2(C)C)cn1 ZINC000573309854 856070519 /nfs/dbraw/zinc/07/05/19/856070519.db2.gz AHGCDGTZHXSMSH-GOSISDBHSA-N 0 1 381.436 3.609 20 5 GHBDMN C[C@@H](CS(C)(=O)=O)NCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000172122558 856346167 /nfs/dbraw/zinc/34/61/67/856346167.db2.gz UIDCPKDHWNTAST-LBPRGKRZSA-N 0 1 398.868 3.563 20 5 GHBDMN CN(Cc1ccc([N+](=O)[O-])cc1Cl)C1CCN(C(=O)c2ccccc2)CC1 ZINC000272947873 856363002 /nfs/dbraw/zinc/36/30/02/856363002.db2.gz MAADNCMKCBEBAW-UHFFFAOYSA-N 0 1 387.867 3.985 20 5 GHBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc2cccnc2c(OC)c1 ZINC000427657531 856538494 /nfs/dbraw/zinc/53/84/94/856538494.db2.gz QFERCDIXOFVMOC-UHFFFAOYSA-N 0 1 387.417 3.515 20 5 GHBDMN COC(=O)c1cccc(CN(Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)c1 ZINC000592130313 856669231 /nfs/dbraw/zinc/66/92/31/856669231.db2.gz BGUZRQXBHUTATH-MXVIHJGJSA-N 0 1 398.459 3.687 20 5 GHBDMN O=[N+]([O-])c1ccc2[nH]c(CN[C@H](c3ccccc3)C3(CO)CC=CC3)nc2c1 ZINC000592177679 856762103 /nfs/dbraw/zinc/76/21/03/856762103.db2.gz NEAVSFXATSGSFP-HXUWFJFHSA-N 0 1 378.432 3.631 20 5 GHBDMN C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000569107189 856919772 /nfs/dbraw/zinc/91/97/72/856919772.db2.gz PJKZYAROCTWUHQ-CYBMUJFWSA-N 0 1 389.839 3.830 20 5 GHBDMN O=C(c1cc([N+](=O)[O-])ccc1SC1CCCC1)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000592241266 856941580 /nfs/dbraw/zinc/94/15/80/856941580.db2.gz PREUZOIWVNVDEI-OKILXGFUSA-N 0 1 375.494 3.596 20 5 GHBDMN COc1cccc([C@H]2[C@H](NC(=O)c3cc([N+](=O)[O-])ccc3C)CCN2C2CC2)c1 ZINC000245554274 856954905 /nfs/dbraw/zinc/95/49/05/856954905.db2.gz SBSFGDMUDAHNGA-RTWAWAEBSA-N 0 1 395.459 3.620 20 5 GHBDMN Cc1cccc(CN(Cc2ccccn2)C(=O)c2cc(O)cc([N+](=O)[O-])c2)c1 ZINC000428015340 857016329 /nfs/dbraw/zinc/01/63/29/857016329.db2.gz DEWSMDCPTOLXGT-UHFFFAOYSA-N 0 1 377.400 3.846 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1cc(Cl)cc(F)c1F ZINC000442212512 857605161 /nfs/dbraw/zinc/60/51/61/857605161.db2.gz IEXJTHLSSHEBEN-UHFFFAOYSA-N 0 1 383.159 3.981 20 5 GHBDMN Cc1c(Cl)cc(S(=O)(=O)Nc2ccccc2-n2cccn2)cc1[N+](=O)[O-] ZINC000508390421 857844055 /nfs/dbraw/zinc/84/40/55/857844055.db2.gz QGILBQLITHFNAQ-UHFFFAOYSA-N 0 1 392.824 3.543 20 5 GHBDMN CC(C)([C@H](NC(=O)c1ccc([N+](=O)[O-])o1)c1ccc(F)c(F)c1)N1CCCC1 ZINC000486561448 857860341 /nfs/dbraw/zinc/86/03/41/857860341.db2.gz WOLUUFVNJZVLIA-QGZVFWFLSA-N 0 1 393.390 3.812 20 5 GHBDMN C[C@@H](c1ccccc1)[C@H](O)CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000594999577 858361666 /nfs/dbraw/zinc/36/16/66/858361666.db2.gz BYUSBTRXAUZCPY-IFXJQAMLSA-N 0 1 383.473 3.973 20 5 GHBDMN Cc1ccc2nc([C@@H]3CCCN(C(=O)c4ccc([N+](=O)[O-])cc4F)C3)[nH]c2c1 ZINC000067158236 858457397 /nfs/dbraw/zinc/45/73/97/858457397.db2.gz IYDPVIISIMSOKW-CYBMUJFWSA-N 0 1 382.395 3.938 20 5 GHBDMN COc1ccc(CCN(Cc2onc(C)c2[N+](=O)[O-])CC(C)C)cc1OC ZINC000595317582 858469475 /nfs/dbraw/zinc/46/94/75/858469475.db2.gz AXIQQVCPSSNTPT-UHFFFAOYSA-N 0 1 377.441 3.609 20 5 GHBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000595908448 858714174 /nfs/dbraw/zinc/71/41/74/858714174.db2.gz IJFMSPFXGAJZKO-XMCHAPAWSA-N 0 1 384.436 3.598 20 5 GHBDMN COC(=O)c1c(Cl)c(NCc2ccc(F)c(CN(C)C)c2)ccc1[N+](=O)[O-] ZINC000596129067 858787461 /nfs/dbraw/zinc/78/74/61/858787461.db2.gz LSZJZFRQKYJTBK-UHFFFAOYSA-N 0 1 395.818 3.848 20 5 GHBDMN C[C@@H]1SCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000543202100 858851958 /nfs/dbraw/zinc/85/19/58/858851958.db2.gz ALWDDZFAANBHOJ-RIFZZMRRSA-N 0 1 388.489 3.513 20 5 GHBDMN CCN(Cc1c[nH]c2ccccc12)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000190506855 859079592 /nfs/dbraw/zinc/07/95/92/859079592.db2.gz KCMSBVYFDGVVNL-CQSZACIVSA-N 0 1 396.447 3.934 20 5 GHBDMN Cc1cc(S(=O)(=O)Nc2cccc(OCC(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000522357705 859177041 /nfs/dbraw/zinc/17/70/41/859177041.db2.gz COMLUIMNVVHDPO-UHFFFAOYSA-N 0 1 390.339 3.645 20 5 GHBDMN CN(C)[C@H](CNC(=O)c1c(F)cccc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000601455386 859272430 /nfs/dbraw/zinc/27/24/30/859272430.db2.gz CUFVVDFESSXKAS-OAHLLOKOSA-N 0 1 399.344 3.785 20 5 GHBDMN Cc1ccc([C@@H](CN2CCOCC2)N[C@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000532201516 881411128 /nfs/dbraw/zinc/41/11/28/881411128.db2.gz AHSJROUJDDPCDL-XMSQKQJNSA-N 0 1 383.492 3.936 20 5 GHBDMN Cc1ccc(CN2CCC(NC(=O)Nc3ccc(F)cc3)CC2)cc1[N+](=O)[O-] ZINC000092030928 859979496 /nfs/dbraw/zinc/97/94/96/859979496.db2.gz WWQHWCYNLFVUNB-UHFFFAOYSA-N 0 1 386.427 3.828 20 5 GHBDMN C[S@@](=O)Cc1ccc(CNCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000602651991 860182469 /nfs/dbraw/zinc/18/24/69/860182469.db2.gz BWOHJQHVRBZYDJ-AREMUKBSSA-N 0 1 386.395 3.782 20 5 GHBDMN Cc1c(NC(=O)c2cc(Br)cc3nc[nH]c32)cccc1[N+](=O)[O-] ZINC000499938910 860225818 /nfs/dbraw/zinc/22/58/18/860225818.db2.gz IMMLACUNFBLXOG-UHFFFAOYSA-N 0 1 375.182 3.794 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N2CCC3(C=Cc4ccccc4O3)CC2)c1[N+](=O)[O-] ZINC000598500266 860345185 /nfs/dbraw/zinc/34/51/85/860345185.db2.gz WGSCSHVGHXDYTH-UHFFFAOYSA-N 0 1 382.420 3.522 20 5 GHBDMN Cc1nn(CN2CCC3(CC2)OCc2ccccc23)c2cc([N+](=O)[O-])ccc12 ZINC000761290726 860614967 /nfs/dbraw/zinc/61/49/67/860614967.db2.gz CHUFFLITFIFASS-UHFFFAOYSA-N 0 1 378.432 3.732 20 5 GHBDMN Cc1cc(C)c(C(=O)NC2CCN(C/C=C/c3ccccc3[N+](=O)[O-])CC2)o1 ZINC000598930121 860686565 /nfs/dbraw/zinc/68/65/65/860686565.db2.gz OZCMTEAOWVXNTF-FNORWQNLSA-N 0 1 383.448 3.712 20 5 GHBDMN C[C@@H](NCC(=O)N1CCC(Cc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000156264652 860731911 /nfs/dbraw/zinc/73/19/11/860731911.db2.gz HYJSJBQBUIAPOK-QGZVFWFLSA-N 0 1 381.476 3.727 20 5 GHBDMN CCOc1ccc([C@H](C)N[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1OC ZINC000603598559 860912779 /nfs/dbraw/zinc/91/27/79/860912779.db2.gz LDBXTQOVDPBLCC-UONOGXRCSA-N 0 1 387.436 3.680 20 5 GHBDMN CCO[C@H]1C[C@@H]([N@@H+](C)Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C12CCCCC2 ZINC000593738191 861117813 /nfs/dbraw/zinc/11/78/13/861117813.db2.gz ORNKFZVNTZFIJN-MSOLQXFVSA-N 0 1 376.453 3.853 20 5 GHBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000609193204 881614819 /nfs/dbraw/zinc/61/48/19/881614819.db2.gz SXZHLHYDNBXKFY-RTBURBONSA-N 0 1 381.476 3.950 20 5 GHBDMN COc1ccc(NC(=O)CN2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)c([N+](=O)[O-])c1 ZINC000554834159 865015637 /nfs/dbraw/zinc/01/56/37/865015637.db2.gz CKKJHZIXMFVTOT-BCDXTJNWSA-N 0 1 395.459 3.953 20 5 GHBDMN CC(C)CCN1Cc2cccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c2C1 ZINC000494525615 881840612 /nfs/dbraw/zinc/84/06/12/881840612.db2.gz ZMGFOWXOMAVKNP-UHFFFAOYSA-N 0 1 389.477 3.757 20 5 GHBDMN CCOC(=O)c1ccnc(N[C@H](C)c2nc3ccc(Cl)cc3[nH]2)c1[N+](=O)[O-] ZINC000737410164 866150654 /nfs/dbraw/zinc/15/06/54/866150654.db2.gz BOIQROUAHULHAG-SECBINFHSA-N 0 1 389.799 3.869 20 5 GHBDMN CN(C)[C@@H](CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000487536691 881948110 /nfs/dbraw/zinc/94/81/10/881948110.db2.gz JYDUDXBBLZJUEO-SFHVURJKSA-N 0 1 388.443 3.571 20 5 GHBDMN CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CCCCN1Cc1ccccc1 ZINC000553060291 866722011 /nfs/dbraw/zinc/72/20/11/866722011.db2.gz GCIGSIIUFBTAAV-NRFANRHFSA-N 0 1 381.476 3.650 20 5 GHBDMN O=C(Nc1cccc(-c2ncc3n2CCCC3)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000444538573 866877736 /nfs/dbraw/zinc/87/77/36/866877736.db2.gz CYEDLBULQYDQEM-UHFFFAOYSA-N 0 1 378.388 3.753 20 5 GHBDMN CC(C)c1ncc(CN(C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)cn1 ZINC000440473254 866925090 /nfs/dbraw/zinc/92/50/90/866925090.db2.gz YVPJJBRYEPARPR-UHFFFAOYSA-N 0 1 381.436 3.838 20 5 GHBDMN CN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000444690796 867071300 /nfs/dbraw/zinc/07/13/00/867071300.db2.gz VNGVNLOJLREKGK-KXBFYZLASA-N 0 1 384.411 3.962 20 5 GHBDMN O=[N+]([O-])c1cn(CN2CCCC[C@H]2Cc2ccccc2)nc1-c1ccncc1 ZINC000742147850 867080674 /nfs/dbraw/zinc/08/06/74/867080674.db2.gz NPGPIYXZPKAUMS-IBGZPJMESA-N 0 1 377.448 3.908 20 5 GHBDMN CCc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)cc1 ZINC000742231368 867146194 /nfs/dbraw/zinc/14/61/94/867146194.db2.gz CENDIOMCGXZCEU-UHFFFAOYSA-N 0 1 385.239 3.721 20 5 GHBDMN CCO[C@@H]1C[C@@H](NCc2nc(-c3cccc([N+](=O)[O-])c3)no2)C12CCCCC2 ZINC000429776507 867323138 /nfs/dbraw/zinc/32/31/38/867323138.db2.gz STZNUUSMNSUAKL-IAGOWNOFSA-N 0 1 386.452 3.862 20 5 GHBDMN CN1CC[C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[C@@H]1c1ccccc1 ZINC000534754720 867382812 /nfs/dbraw/zinc/38/28/12/867382812.db2.gz QXTGLGZOAXBTRW-APWZRJJASA-N 0 1 381.457 3.985 20 5 GHBDMN COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2ccc(C)cc2[nH]1 ZINC000553474840 867479250 /nfs/dbraw/zinc/47/92/50/867479250.db2.gz WRCQYWMHMVBPNT-UHFFFAOYSA-N 0 1 386.433 3.770 20 5 GHBDMN Cc1nc([C@@H](C)NC(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)n[nH]1 ZINC000553634215 867800102 /nfs/dbraw/zinc/80/01/02/867800102.db2.gz DIZKDZDPRJROMG-GFCCVEGCSA-N 0 1 397.460 3.972 20 5 GHBDMN COc1cc(C(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)cc([N+](=O)[O-])c1C ZINC000479886094 868680999 /nfs/dbraw/zinc/68/09/99/868680999.db2.gz KZBYMRZFRFAYPW-IBGZPJMESA-N 0 1 397.475 3.648 20 5 GHBDMN CC(C)c1ccc(CN2CCC(CN=[S@@](C)(=O)N(C)C)CC2)cc1[N+](=O)[O-] ZINC000898398067 868813486 /nfs/dbraw/zinc/81/34/86/868813486.db2.gz ATALTHCRXTVUGG-HHHXNRCGSA-N 0 1 396.557 3.505 20 5 GHBDMN Cc1ccc2nc([C@@H]3CCCN3C(=O)c3cc([N+](=O)[O-])ccc3N(C)C)[nH]c2c1 ZINC000747127798 882241743 /nfs/dbraw/zinc/24/17/43/882241743.db2.gz LBWICESCXZTQDE-IBGZPJMESA-N 0 1 393.447 3.823 20 5 GHBDMN Cc1nn(CN2CCC(c3ccc(F)cc3C)CC2)c2ncc([N+](=O)[O-])cc12 ZINC000793549137 882259264 /nfs/dbraw/zinc/25/92/64/882259264.db2.gz YTMFOPIMCWOGIX-UHFFFAOYSA-N 0 1 383.427 3.933 20 5 GHBDMN Cc1sc(Br)cc1S(=O)(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000122235402 869198967 /nfs/dbraw/zinc/19/89/67/869198967.db2.gz MHEWJQIAVBJKOV-UHFFFAOYSA-N 0 1 377.241 3.528 20 5 GHBDMN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000446101974 869407961 /nfs/dbraw/zinc/40/79/61/869407961.db2.gz CVNSOFWEZIBSOP-INIZCTEOSA-N 0 1 379.819 3.728 20 5 GHBDMN O=[N+]([O-])c1ccc(OC2CCN(Cc3cnn(-c4ccccc4)c3)CC2)cc1 ZINC000524766528 869543302 /nfs/dbraw/zinc/54/33/02/869543302.db2.gz ZYDVYIZASPTWHI-UHFFFAOYSA-N 0 1 378.432 3.824 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2nc(CN3CCN(CCc4ccccc4)CC3)co2)cc1 ZINC000152870773 869573802 /nfs/dbraw/zinc/57/38/02/869573802.db2.gz MZGRKCNDTDJXMV-UHFFFAOYSA-N 0 1 392.459 3.610 20 5 GHBDMN COc1ccc(-c2n[nH]c(CNc3ccc([N+](=O)[O-])c4cccnc34)n2)cc1 ZINC000540035803 870267488 /nfs/dbraw/zinc/26/74/88/870267488.db2.gz YTRHEKMOECHGTN-UHFFFAOYSA-N 0 1 376.376 3.549 20 5 GHBDMN COc1ccc(-c2nc(CNc3ccc([N+](=O)[O-])c4cccnc34)n[nH]2)cc1 ZINC000540035803 870267510 /nfs/dbraw/zinc/26/75/10/870267510.db2.gz YTRHEKMOECHGTN-UHFFFAOYSA-N 0 1 376.376 3.549 20 5 GHBDMN CS(=O)(=O)[C@@H]1CCC[C@@H](N[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000538713354 870387658 /nfs/dbraw/zinc/38/76/58/870387658.db2.gz DTYVFJDNGSETQJ-MISYRCLQSA-N 0 1 388.489 3.630 20 5 GHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(N3CCCC3)cc2)c2ncccc12 ZINC000766503892 870870333 /nfs/dbraw/zinc/87/03/33/870870333.db2.gz ZVXBUJIZKXTKTA-UHFFFAOYSA-N 0 1 398.444 3.544 20 5 GHBDMN COc1cc(CN(C)Cc2cc(C(C)(C)C)[nH]n2)c([N+](=O)[O-])cc1OC(F)F ZINC000447059989 870936791 /nfs/dbraw/zinc/93/67/91/870936791.db2.gz NGRIYBRRGBYASI-UHFFFAOYSA-N 0 1 398.410 3.857 20 5 GHBDMN CC(C)(C)OC(=O)N1CCN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@@H]1c1ccccc1 ZINC001169038381 871117344 /nfs/dbraw/zinc/11/73/44/871117344.db2.gz YJVQAKITZFHCRB-BHIYHBOVSA-N 0 1 389.496 3.726 20 5 GHBDMN CC[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC001169090654 871200687 /nfs/dbraw/zinc/20/06/87/871200687.db2.gz JEMMCXTYRFIIII-GOSISDBHSA-N 0 1 384.436 3.599 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1CC(=O)N([C@H]2C[C@@H]2c2ccccc2)C1 ZINC000539089013 871284506 /nfs/dbraw/zinc/28/45/06/871284506.db2.gz HSUQAJWSCUPAJL-IAECCPNBSA-N 0 1 379.460 3.711 20 5 GHBDMN CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CN(Cc2ccccc2)CC[C@H]1C ZINC001169542493 871621559 /nfs/dbraw/zinc/62/15/59/871621559.db2.gz XDRQJDKJAKCZJK-BEFAXECRSA-N 0 1 399.516 3.957 20 5 GHBDMN COCCSc1ccc([C@@H](C)NCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000539306503 871702279 /nfs/dbraw/zinc/70/22/79/871702279.db2.gz GHQQHVUXUFESQZ-CQSZACIVSA-N 0 1 389.477 3.623 20 5 GHBDMN O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2NCc2nccn2CCc2ccccc2)n1 ZINC000447582052 871882267 /nfs/dbraw/zinc/88/22/67/871882267.db2.gz XMUQFBXSZKBDSV-OALUTQOASA-N 0 1 394.479 3.504 20 5 GHBDMN O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2NCc2nnc(-c3ccccc3)s2)n1 ZINC000447580843 871927749 /nfs/dbraw/zinc/92/77/49/871927749.db2.gz QLHPTYBBFPGVSD-CABCVRRESA-N 0 1 384.465 3.583 20 5 GHBDMN CCOc1ccc(C2=CCN(C[C@@H](O)COc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000182332155 872208840 /nfs/dbraw/zinc/20/88/40/872208840.db2.gz KWYOINGMNXGVHR-LJQANCHMSA-N 0 1 398.459 3.523 20 5 GHBDMN C[C@@H](CN1CCC(C)CC1)NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000618985659 872213877 /nfs/dbraw/zinc/21/38/77/872213877.db2.gz MLLZQMPVRJVBCH-INIZCTEOSA-N 0 1 377.488 3.532 20 5 GHBDMN C[C@@H](NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)C(=O)N(C)C ZINC000540803068 872218746 /nfs/dbraw/zinc/21/87/46/872218746.db2.gz NYLZCNLIQBFSHF-GFCCVEGCSA-N 0 1 377.828 3.607 20 5 GHBDMN CCCCn1ncc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2OC)c1C(C)C ZINC000619468167 872663958 /nfs/dbraw/zinc/66/39/58/872663958.db2.gz BXQQSUAETIJTTJ-UHFFFAOYSA-N 0 1 396.469 3.524 20 5 GHBDMN CN(C)c1cccc([C@H]2CCCN2[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000448035784 872725736 /nfs/dbraw/zinc/72/57/36/872725736.db2.gz SIHZTXQAXLJZBT-RTWAWAEBSA-N 0 1 394.475 3.603 20 5 GHBDMN COc1cccc(CN2CCC(Nc3c([N+](=O)[O-])cccc3[N+](=O)[O-])CC2)c1 ZINC000804360927 872903840 /nfs/dbraw/zinc/90/38/40/872903840.db2.gz UYNBCOUAXDWMQJ-UHFFFAOYSA-N 0 1 386.408 3.588 20 5 GHBDMN CCc1[nH]nc(C(=O)N2CCC(C)(c3cccc(Cl)c3)CC2)c1[N+](=O)[O-] ZINC000478436264 872992454 /nfs/dbraw/zinc/99/24/54/872992454.db2.gz WGGMNESVPNXFIX-UHFFFAOYSA-N 0 1 376.844 3.728 20 5 GHBDMN CC(C)(C)c1ccc(NC(=O)c2ccccc2NS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000552742909 873108817 /nfs/dbraw/zinc/10/88/17/873108817.db2.gz BNWOXWQODIBSJZ-UHFFFAOYSA-N 0 1 391.449 3.516 20 5 GHBDMN CC1CCN(c2cccc(NS(=O)(=O)c3csc([N+](=O)[O-])c3)c2)CC1 ZINC000768862357 873663320 /nfs/dbraw/zinc/66/33/20/873663320.db2.gz KBANMSMAIRYBCM-UHFFFAOYSA-N 0 1 381.479 3.693 20 5 GHBDMN CN(C)[C@@H](CNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000448607581 873664837 /nfs/dbraw/zinc/66/48/37/873664837.db2.gz SDGQZGJZSYRZLN-INIZCTEOSA-N 0 1 399.344 3.785 20 5 GHBDMN O=[N+]([O-])c1cnc(Nc2ccc(CN3CCN(c4ccccn4)CC3)cc2)s1 ZINC000195510817 882770384 /nfs/dbraw/zinc/77/03/84/882770384.db2.gz NZBVSAYYLCTEOU-UHFFFAOYSA-N 0 1 396.476 3.512 20 5 GHBDMN COc1cc(CN2CCC[C@H]2Cn2cnc3ccccc32)c([N+](=O)[O-])cc1F ZINC000464692043 874323420 /nfs/dbraw/zinc/32/34/20/874323420.db2.gz RKAURMWRLFKBDO-HNNXBMFYSA-N 0 1 384.411 3.757 20 5 GHBDMN COc1cccc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])c1F ZINC000769889380 874352868 /nfs/dbraw/zinc/35/28/68/874352868.db2.gz JUYJOECDNBEOCA-UHFFFAOYSA-N 0 1 395.195 3.850 20 5 GHBDMN CC[C@H]1CCCCN1C(=O)[C@H](C)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464782985 874485635 /nfs/dbraw/zinc/48/56/35/874485635.db2.gz DOSORRGGZZJATH-IRXDYDNUSA-N 0 1 389.496 3.618 20 5 GHBDMN COc1ccc(S(=O)(=O)Nc2cccc3nc4ccccc4nc32)c(C)c1 ZINC001198943251 874707838 /nfs/dbraw/zinc/70/78/38/874707838.db2.gz AYUJZHPIMPAPBC-UHFFFAOYSA-N 0 1 379.441 3.901 20 5 GHBDMN Cc1cc(NCc2cccc(N3CCCC3=O)c2)c2cc([N+](=O)[O-])ccc2n1 ZINC000542101797 874958114 /nfs/dbraw/zinc/95/81/14/874958114.db2.gz NNLTZCCSOCVCHD-UHFFFAOYSA-N 0 1 376.416 3.612 20 5 GHBDMN Cc1c(C(=O)Nc2cc(F)cc(Cl)c2O)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000771504763 875301384 /nfs/dbraw/zinc/30/13/84/875301384.db2.gz MNUCEXNSZZBEKJ-UHFFFAOYSA-N 0 1 383.719 3.870 20 5 GHBDMN CN(C(=O)c1ccccc1NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C1CCCCC1 ZINC000772307356 875859721 /nfs/dbraw/zinc/85/97/21/875859721.db2.gz YBAOWZWTLLTGJJ-UHFFFAOYSA-N 0 1 397.431 3.957 20 5 GHBDMN O=[N+]([O-])c1ccc(Cl)c(CNC[C@H](O)c2cccc(Br)c2)c1 ZINC000776246086 876024170 /nfs/dbraw/zinc/02/41/70/876024170.db2.gz PIKIWINCRVHPKY-HNNXBMFYSA-N 0 1 385.645 3.834 20 5 GHBDMN O=C(NC[C@@H]1CCN1C1CCCCC1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000529716970 876578791 /nfs/dbraw/zinc/57/87/91/876578791.db2.gz DMAPZYJCPQTVTC-SFHVURJKSA-N 0 1 389.499 3.818 20 5 GHBDMN Cc1n[nH]c(C(C)C)c1C(=O)O[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000786351031 876617143 /nfs/dbraw/zinc/61/71/43/876617143.db2.gz RGUSOZBIAWKUJE-JTQLQIEISA-N 0 1 394.815 3.587 20 5 GHBDMN Cc1ccc(C2CCN(C(=O)c3cc(-c4ccc([N+](=O)[O-])cc4)[nH]n3)CC2)cn1 ZINC000450790621 876895267 /nfs/dbraw/zinc/89/52/67/876895267.db2.gz FFJNLZHNJJDURP-UHFFFAOYSA-N 0 1 391.431 3.708 20 5 GHBDMN O=C(CCc1cc(Cl)cs1)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000609921270 877190269 /nfs/dbraw/zinc/19/02/69/877190269.db2.gz FVEMSOQHJOMJJZ-UHFFFAOYSA-N 0 1 377.813 3.666 20 5 GHBDMN Cc1cc(C(=O)N[C@@H]2CCc3nc(C4CCCCC4)[nH]c3C2)c(N)c([N+](=O)[O-])c1 ZINC000788248261 877953548 /nfs/dbraw/zinc/95/35/48/877953548.db2.gz PIVGHEMEZAEFBY-CQSZACIVSA-N 0 1 397.479 3.544 20 5 GHBDMN Cc1cc(C(=O)N[C@H]2CCc3nc(C4CCCCC4)[nH]c3C2)c(N)c([N+](=O)[O-])c1 ZINC000788248257 877953941 /nfs/dbraw/zinc/95/39/41/877953941.db2.gz PIVGHEMEZAEFBY-AWEZNQCLSA-N 0 1 397.479 3.544 20 5 GHBDMN Cc1noc(CN2CCCC[C@@H]2[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000852095201 878074368 /nfs/dbraw/zinc/07/43/68/878074368.db2.gz LLBYFPQIOAYKRR-LSDHHAIUSA-N 0 1 394.472 3.503 20 5 GHBDMN COc1ccc([C@@H](CN2CCCC2)NC(=O)c2cc([N+](=O)[O-])c(C)s2)cc1 ZINC000537729037 878177425 /nfs/dbraw/zinc/17/74/25/878177425.db2.gz BIBODAWXQCDSEL-MRXNPFEDSA-N 0 1 389.477 3.540 20 5 GHBDMN COc1cccc(F)c1[C@@H](C)NCCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000179907374 878192929 /nfs/dbraw/zinc/19/29/29/878192929.db2.gz DPLRNLQQQHMMAP-CYBMUJFWSA-N 0 1 375.400 3.730 20 5 GHBDMN O=[N+]([O-])c1ccc(CN2CCC3(CCc4ccccc4O3)CC2)c([N+](=O)[O-])c1 ZINC000852675413 878513217 /nfs/dbraw/zinc/51/32/17/878513217.db2.gz XQUVZOXCWARNED-UHFFFAOYSA-N 0 1 383.404 3.863 20 5 GHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc3[nH]c(-c4ccco4)nc3c2)cc1 ZINC000530887819 878729588 /nfs/dbraw/zinc/72/95/88/878729588.db2.gz OQPNIEUKXWCQOT-UHFFFAOYSA-N 0 1 384.373 3.532 20 5 GHBDMN C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761516106 879218380 /nfs/dbraw/zinc/21/83/80/879218380.db2.gz YYLOJNVXQPVIGI-GXTWGEPZSA-N 0 1 383.876 3.983 20 5 GHBDMN O=C1C[C@H](NCc2ccc([N+](=O)[O-])cc2)CN1c1cccc(C(F)(F)F)c1 ZINC000538413167 879456194 /nfs/dbraw/zinc/45/61/94/879456194.db2.gz YZWAKWZLDNRMNC-AWEZNQCLSA-N 0 1 379.338 3.509 20 5 GHBDMN CN(C)[C@@H]1CCOc2c(NC(=O)c3cc(F)c([N+](=O)[O-])cc3F)cccc21 ZINC000790244152 879544662 /nfs/dbraw/zinc/54/46/62/879544662.db2.gz UZHJOPKPWOWSTG-OAHLLOKOSA-N 0 1 377.347 3.511 20 5 GHBDMN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)Cc1cc(C)[nH]n1 ZINC000538571334 879739073 /nfs/dbraw/zinc/73/90/73/879739073.db2.gz GSSKRKVHRJZFCZ-GFCCVEGCSA-N 0 1 376.482 3.880 20 5 GHBDMN CC(C)(CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000520157131 879916051 /nfs/dbraw/zinc/91/60/51/879916051.db2.gz ZIYFYMRXXZBLQK-UHFFFAOYSA-N 0 1 386.832 3.643 20 5 GHBDMN O=C([C@@H]1CCCCN1Cc1ccccc1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000532031346 881004611 /nfs/dbraw/zinc/00/46/11/881004611.db2.gz IJGBQVIMXCPMTM-NRFANRHFSA-N 0 1 379.460 3.534 20 5 GHBDMN Cc1ccc(NC(=O)[C@H](N[C@@]2(C)CCO[C@@H]2C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000494231148 881304961 /nfs/dbraw/zinc/30/49/61/881304961.db2.gz PINJVPDOGMTWBP-VMRPVKRXSA-N 0 1 383.448 3.740 20 5 GHBDMN CC(C)Oc1ccccc1[C@H](C)N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000609450966 883211236 /nfs/dbraw/zinc/21/12/36/883211236.db2.gz FBPAYPHFMDFLIB-HNAYVOBHSA-N 0 1 383.448 3.838 20 5 GHBDMN O=C(Nc1ccc2nc(Cc3ccccc3F)[nH]c2c1)c1ccc([N+](=O)[O-])cn1 ZINC000532391056 883768701 /nfs/dbraw/zinc/76/87/01/883768701.db2.gz WEXZJVDQXWQJNM-UHFFFAOYSA-N 0 1 391.362 3.848 20 5 GHBDMN CCO[C@@H]1C[C@H](N[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)[C@@H]1n1cccn1 ZINC000556262946 884276335 /nfs/dbraw/zinc/27/63/35/884276335.db2.gz CPTVNXFQRJKIJV-CBPXPLCBSA-N 0 1 392.459 3.889 20 5 GHBDMN CCc1[nH]nc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)c1[N+](=O)[O-] ZINC000475822703 884309840 /nfs/dbraw/zinc/30/98/40/884309840.db2.gz WSFUNVVLODVULE-UHFFFAOYSA-N 0 1 396.369 3.919 20 5 GHBDMN Cc1cccc(S(=O)(=O)Nc2cc(F)cc([N+](=O)[O-])c2)c1Br ZINC000475828967 884605115 /nfs/dbraw/zinc/60/51/15/884605115.db2.gz HWXAGTOQBDOLIW-UHFFFAOYSA-N 0 1 389.202 3.606 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000537561787 885419354 /nfs/dbraw/zinc/41/93/54/885419354.db2.gz OCYWVMBCCVJODF-INIZCTEOSA-N 0 1 393.447 3.768 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@H](c2ccccc2C)C[C@@H]1C ZINC000532587333 886188902 /nfs/dbraw/zinc/18/89/02/886188902.db2.gz YEZXZPMJDMUPIV-JKSUJKDBSA-N 0 1 383.448 3.728 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@H](c2ccccc2C)C[C@@H]1C ZINC000532587333 886188910 /nfs/dbraw/zinc/18/89/10/886188910.db2.gz YEZXZPMJDMUPIV-JKSUJKDBSA-N 0 1 383.448 3.728 20 5 GHBDMN CCOc1ccc2c(c1)c(=N)c1ccc(N)cc1n2C(=O)[C@H]1CCCC[C@@H]1CO ZINC001184162814 913057502 /nfs/dbraw/zinc/05/75/02/913057502.db2.gz JTZWPZVXEHXAKG-PBHICJAKSA-N 0 1 393.487 3.694 20 5 GHBDMN CC(C)(C(=O)O[C@H]1CCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000763010242 887549836 /nfs/dbraw/zinc/54/98/36/887549836.db2.gz BHUVNACNLVBBBS-KRWDZBQOSA-N 0 1 386.423 3.829 20 5 GHBDMN C[C@H]1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000809769038 887756273 /nfs/dbraw/zinc/75/62/73/887756273.db2.gz FSUVPTGNYRTRBR-BHDSKKPTSA-N 0 1 393.793 3.526 20 5 GHBDMN Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000153378167 888376182 /nfs/dbraw/zinc/37/61/82/888376182.db2.gz KMFWFIUOCMVMPF-QMMMGPOBSA-N 0 1 391.840 3.894 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@@H](C)c1ccc(Cl)cc1 ZINC000032810711 888932081 /nfs/dbraw/zinc/93/20/81/888932081.db2.gz XZZANKWWJGFDGB-NWDGAFQWSA-N 0 1 377.828 3.935 20 5 GHBDMN O=[N+]([O-])c1ccc(NCCN2CCN(c3ccccc3)CC2)cc1C(F)(F)F ZINC001184785587 913431294 /nfs/dbraw/zinc/43/12/94/913431294.db2.gz VGOIUIUEQIDZRW-UHFFFAOYSA-N 0 1 394.397 3.848 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000812763114 890913878 /nfs/dbraw/zinc/91/38/78/890913878.db2.gz PFDDHWXGMRNFDI-HXUWFJFHSA-N 0 1 375.469 3.879 20 5 GHBDMN O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1NCCCCN1CCOCC1 ZINC000917074216 890963744 /nfs/dbraw/zinc/96/37/44/890963744.db2.gz FPKAPHRXBANDSN-UHFFFAOYSA-N 0 1 381.782 3.791 20 5 GHBDMN C[C@H](N[C@@H](C)c1ccc(C(F)(F)F)nc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000871934655 891090677 /nfs/dbraw/zinc/09/06/77/891090677.db2.gz KODCEAYDDKESBW-QWRGUYRKSA-N 0 1 382.342 3.686 20 5 GHBDMN Cc1c(NC(=O)[C@H](C)N2CCC[C@H](OC3CCC3)CC2)cccc1[N+](=O)[O-] ZINC000872279313 891227080 /nfs/dbraw/zinc/22/70/80/891227080.db2.gz HPTFDGXTKQFCSO-RDJZCZTQSA-N 0 1 375.469 3.654 20 5 GHBDMN CC1CCN([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2F)c2cccs2)CC1 ZINC000054059362 891253758 /nfs/dbraw/zinc/25/37/58/891253758.db2.gz HMLHGWBIZHZVQR-KRWDZBQOSA-N 0 1 391.468 3.998 20 5 GHBDMN Cc1ccc([N+](=O)[O-])c(C)c1CNCc1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1 ZINC000873013957 891428564 /nfs/dbraw/zinc/42/85/64/891428564.db2.gz JXJILIFXEQMHTL-HOTGVXAUSA-N 0 1 384.480 3.510 20 5 GHBDMN C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)NCc1csc([N+](=O)[O-])c1 ZINC000237393192 891619082 /nfs/dbraw/zinc/61/90/82/891619082.db2.gz GDGGNWXHZMSTLN-AWEZNQCLSA-N 0 1 388.493 3.763 20 5 GHBDMN COc1cc(CN[C@H](C)c2ccc(N3CCCOC3=O)cc2)ccc1[N+](=O)[O-] ZINC000814661201 893022431 /nfs/dbraw/zinc/02/24/31/893022431.db2.gz LJEMITKKNPPEOL-CQSZACIVSA-N 0 1 385.420 3.801 20 5 GHBDMN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CN1CCC(OC[C@H]2CCCO2)CC1 ZINC000876650621 893273094 /nfs/dbraw/zinc/27/30/94/893273094.db2.gz WFAYRXUODWPJCT-MRXNPFEDSA-N 0 1 388.386 3.774 20 5 GHBDMN C[C@@H](NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])c1cccc(F)c1F ZINC000815028948 893382211 /nfs/dbraw/zinc/38/22/11/893382211.db2.gz HFHZRZHCKKFILA-SSDOTTSWSA-N 0 1 394.758 3.705 20 5 GHBDMN CC(C)[C@@H](CC(F)(F)F)NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815036476 893389790 /nfs/dbraw/zinc/38/97/90/893389790.db2.gz XAGMURWISDVEOT-SECBINFHSA-N 0 1 392.758 3.643 20 5 GHBDMN Cc1ccc(CN[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c(OC[C@@H]2CCCO2)c1 ZINC000815588827 894030278 /nfs/dbraw/zinc/03/02/78/894030278.db2.gz ZZXXQGDYGZNZLK-YJBOKZPZSA-N 0 1 385.464 3.894 20 5 GHBDMN C[C@@H](NCc1cc(Cl)c2c(c1)OCCCO2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815590136 894030319 /nfs/dbraw/zinc/03/03/19/894030319.db2.gz MZWQTKIRTUYIKM-LLVKDONJSA-N 0 1 377.828 3.843 20 5 GHBDMN COC[C@@H]1CCCN(Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CC1 ZINC000878692944 894515750 /nfs/dbraw/zinc/51/57/50/894515750.db2.gz HTSXABIQAMJXPC-GFCCVEGCSA-N 0 1 380.832 3.547 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H](C)c1ccc(C(F)(F)F)nc1 ZINC000880099151 895512946 /nfs/dbraw/zinc/51/29/46/895512946.db2.gz HVTINZLNQIDYIL-LLVKDONJSA-N 0 1 382.342 3.606 20 5 GHBDMN CC(C)(C)c1ccc(-c2n[nH]c(NC(=O)c3cc([N+](=O)[O-])c(F)cc3N)n2)cc1 ZINC001136506204 898088592 /nfs/dbraw/zinc/08/85/92/898088592.db2.gz GPPIPAJTJOWUIT-UHFFFAOYSA-N 0 1 398.398 3.651 20 5 GHBDMN Cc1cc(F)cc([C@@]2(F)CCN(C(=O)c3n[nH]c(C(C)C)c3[N+](=O)[O-])C2)c1 ZINC000332187154 899462499 /nfs/dbraw/zinc/46/24/99/899462499.db2.gz XAKXVXWIXKTIND-GOSISDBHSA-N 0 1 378.379 3.600 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2ccc(CN3CC[C@H](C(F)(F)F)[C@@H](CO)C3)o2)c1 ZINC000289828521 914368981 /nfs/dbraw/zinc/36/89/81/914368981.db2.gz UFKZZUXBQDIBDK-CJNGLKHVSA-N 0 1 384.354 3.848 20 5 GHBDMN CC(=O)c1cc(NCCCN2CCN(C)C[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000571067831 899732908 /nfs/dbraw/zinc/73/29/08/899732908.db2.gz OCQTYXNVQWLMLI-JOCHJYFZSA-N 0 1 396.491 3.588 20 5 GHBDMN C[C@@H](c1ccncc1)N1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000121150441 899966308 /nfs/dbraw/zinc/96/63/08/899966308.db2.gz NWKTVPMVCGHLHE-ZDUSSCGKSA-N 0 1 388.855 3.599 20 5 GHBDMN NC(=O)c1ccc(CN2CCC(c3c[nH]c4ccc(F)cc43)CC2)c([N+](=O)[O-])c1 ZINC000572068815 900052684 /nfs/dbraw/zinc/05/26/84/900052684.db2.gz UBJYVTCEIYSOQM-UHFFFAOYSA-N 0 1 396.422 3.694 20 5 GHBDMN Cc1ccc(CNc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])c(N2CCCC2)[nH+]1 ZINC000844209270 900603704 /nfs/dbraw/zinc/60/37/04/900603704.db2.gz JWNCLKINVAENIG-RMKNXTFCSA-N 0 1 382.420 3.608 20 5 GHBDMN C[C@H]1CCCC[N@H+]1CCC1CCN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000844213417 900608568 /nfs/dbraw/zinc/60/85/68/900608568.db2.gz XRTXRBMXMQTSIN-INIZCTEOSA-N 0 1 389.496 3.703 20 5 GHBDMN Cc1cc(NC(=O)CNCc2ccc([N+](=O)[O-])cc2C)ccc1Br ZINC000576792802 902267330 /nfs/dbraw/zinc/26/73/30/902267330.db2.gz WUGCWEPWOXJQQV-UHFFFAOYSA-N 0 1 392.253 3.702 20 5 GHBDMN CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000778981756 902490721 /nfs/dbraw/zinc/49/07/21/902490721.db2.gz QLBVJHALEYLAGW-HUUCEWRRSA-N 0 1 393.484 3.729 20 5 GHBDMN C[C@@H]1COCCN1C1CCN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000846916137 903302735 /nfs/dbraw/zinc/30/27/35/903302735.db2.gz CMXREYUDSXTQSE-GFCCVEGCSA-N 0 1 388.295 3.587 20 5 GHBDMN C[C@@H]1CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)[C@@H](c2ccccc2)CO1 ZINC001148070247 903960913 /nfs/dbraw/zinc/96/09/13/903960913.db2.gz WOMSGYQIWKEOCU-JLTOFOAXSA-N 0 1 392.415 3.587 20 5 GHBDMN O=C(CN1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000578975901 904271002 /nfs/dbraw/zinc/27/10/02/904271002.db2.gz HZOSIUCGABSDJI-KYJSFNMBSA-N 0 1 395.887 3.592 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H]([C@H]2CCCC2(C)C)C1 ZINC001171455677 904719072 /nfs/dbraw/zinc/71/90/72/904719072.db2.gz CJZDLNUCIJIXPJ-GOEBONIOSA-N 0 1 375.469 3.690 20 5 GHBDMN O=[N+]([O-])c1cc(CN2CC[C@H](COCc3ccccc3)C2)c2c(c1)COCO2 ZINC000173988168 905177202 /nfs/dbraw/zinc/17/72/02/905177202.db2.gz KVYUXHQGADRREP-KRWDZBQOSA-N 0 1 384.432 3.500 20 5 GHBDMN O=C(CCN1CC[C@@](F)(c2ccccc2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000801588441 921171065 /nfs/dbraw/zinc/17/10/65/921171065.db2.gz OIFNCWMPOIEGGJ-IBGZPJMESA-N 0 1 375.375 3.633 20 5 GHBDMN CCOC[C@@H]1CN([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)Cc2cn(CC)nc21 ZINC001172909476 906016662 /nfs/dbraw/zinc/01/66/62/906016662.db2.gz HXBXEUPDSRLHAN-PMACEKPBSA-N 0 1 398.507 3.695 20 5 GHBDMN CC(C)OCc1ncn2c1CN([C@H]1CCc3ccc([N+](=O)[O-])cc3CC1)CCC2 ZINC001172911090 906018298 /nfs/dbraw/zinc/01/82/98/906018298.db2.gz RILOVTXUNPVITI-IBGZPJMESA-N 0 1 398.507 3.870 20 5 GHBDMN O=C1CCN(C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)[C@H]2CCCC[C@H]12 ZINC001173010555 906086966 /nfs/dbraw/zinc/08/69/66/906086966.db2.gz USSRAWANFSAVSR-YJBOKZPZSA-N 0 1 393.434 3.675 20 5 GHBDMN CO[C@@H](CN1CCN([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 ZINC001173230762 906314666 /nfs/dbraw/zinc/31/46/66/906314666.db2.gz FNWIRAKAPMAGRT-AVRDEDQJSA-N 0 1 383.492 3.531 20 5 GHBDMN CC(=O)Nc1cccc(NC(=O)[C@H](C)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000178680623 906371059 /nfs/dbraw/zinc/37/10/59/906371059.db2.gz XLEMRKMWJDZPPN-KGLIPLIRSA-N 0 1 384.436 3.539 20 5 GHBDMN O=C(OCc1ccc(Br)c([N+](=O)[O-])c1)c1cc(-c2ccco2)n[nH]1 ZINC000773383944 906520716 /nfs/dbraw/zinc/52/07/16/906520716.db2.gz WGVHSTIYXIYDOF-UHFFFAOYSA-N 0 1 392.165 3.697 20 5 GHBDMN COC[C@@H](Cc1ccccc1)N(C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000191475779 907027616 /nfs/dbraw/zinc/02/76/16/907027616.db2.gz OYFXMYWZTJIEMK-HXUWFJFHSA-N 0 1 381.432 3.939 20 5 GHBDMN Cc1noc(-c2ccccc2)c1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000191799037 907249503 /nfs/dbraw/zinc/24/95/03/907249503.db2.gz IVPYTUDFZUIARW-UHFFFAOYSA-N 0 1 387.417 3.976 20 5 GHBDMN CC1(C)[C@@H](c2ccccc2F)CCN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001175454710 907581328 /nfs/dbraw/zinc/58/13/28/907581328.db2.gz WHLDRLQGGSVKFK-GOSISDBHSA-N 0 1 397.450 3.891 20 5 GHBDMN CSc1ccc(C(=O)N2CCN(CC3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000195708095 909034252 /nfs/dbraw/zinc/03/42/52/909034252.db2.gz JQGLZYHETKCRTF-UHFFFAOYSA-N 0 1 377.510 3.655 20 5 GHBDMN Cc1cc([C@H]2CCCCN2C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)n[nH]1 ZINC001179159932 909407019 /nfs/dbraw/zinc/40/70/19/909407019.db2.gz IZMJPVBMWMOXCK-QGZVFWFLSA-N 0 1 376.844 3.966 20 5 GHBDMN Cc1nc(Cl)ccc1NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795360686 910048370 /nfs/dbraw/zinc/04/83/70/910048370.db2.gz NWELCMKHTUTXQZ-UHFFFAOYSA-N 0 1 380.184 3.545 20 5 GHBDMN CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](c2cccs2)N2CCCC2)c1 ZINC000283385568 911490965 /nfs/dbraw/zinc/49/09/65/911490965.db2.gz GCDJLTNHBQOETP-QGZVFWFLSA-N 0 1 389.477 3.622 20 5 GHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC(c2noc3cc(F)ccc32)CC1 ZINC000291073257 914956480 /nfs/dbraw/zinc/95/64/80/914956480.db2.gz YXGLOJUWOVKQBN-UHFFFAOYSA-N 0 1 385.351 3.601 20 5 GHBDMN C[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)c1ccc(F)cc1F ZINC001187808792 915528198 /nfs/dbraw/zinc/52/81/98/915528198.db2.gz GXQRPEKXTXKFFR-ZETCQYMHSA-N 0 1 394.758 3.705 20 5 GHBDMN CN(C)[C@@H](CNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])c1ccsc1 ZINC000294354114 916758706 /nfs/dbraw/zinc/75/87/06/916758706.db2.gz LZCZEOPZKYKCPC-AWEZNQCLSA-N 0 1 387.383 3.708 20 5 GHBDMN CC[C@@H](C)c1nc([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)n[nH]1 ZINC000294992536 917085796 /nfs/dbraw/zinc/08/57/96/917085796.db2.gz UFRUSGZEHHSCTH-BDAKNGLRSA-N 0 1 385.346 3.736 20 5 GHBDMN COc1ccc(CC[C@H]2CCCCN2Cc2cccnc2[N+](=O)[O-])cc1OC ZINC001190778915 917559769 /nfs/dbraw/zinc/55/97/69/917559769.db2.gz BRXUMDQELQTQJB-GOSISDBHSA-N 0 1 385.464 3.994 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1CN(C)CC[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC001191289224 917898762 /nfs/dbraw/zinc/89/87/62/917898762.db2.gz KAPQWCFTIIEUSW-QGZVFWFLSA-N 0 1 395.500 3.975 20 5 GHBDMN O=[N+]([O-])c1ccccc1-c1nnc(CN2CCCC[C@@H]2[C@@H](O)c2ccccc2)o1 ZINC001192116019 918420977 /nfs/dbraw/zinc/42/09/77/918420977.db2.gz KSOHRRIBRZCMID-QUCCMNQESA-N 0 1 394.431 3.733 20 5 GHBDMN Cc1cc(Cl)c(C(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)cc1[N+](=O)[O-] ZINC000297087981 919046824 /nfs/dbraw/zinc/04/68/24/919046824.db2.gz KHXVHNYJCQSHPM-LBPRGKRZSA-N 0 1 389.843 3.572 20 5 GHBDMN O=C1[C@@H](NCc2ccc([N+](=O)[O-])cc2)CCN1c1ccc(C(F)(F)F)cc1 ZINC000113306747 919365942 /nfs/dbraw/zinc/36/59/42/919365942.db2.gz WHQGMKBKFPXRSF-INIZCTEOSA-N 0 1 379.338 3.509 20 5 GHBDMN CC(C)c1ccc(CN(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)cc1[N+](=O)[O-] ZINC000119473759 919634215 /nfs/dbraw/zinc/63/42/15/919634215.db2.gz ZNPYRONITCMGJL-CQSZACIVSA-N 0 1 391.493 3.559 20 5 GHBDMN COc1cccc([C@@H](Cc2cc(C)cc(C)c2)NC(=O)c2n[nH]cc2[N+](=O)[O-])c1 ZINC000119513838 919635722 /nfs/dbraw/zinc/63/57/22/919635722.db2.gz DYVZWVLMHPOXCU-GOSISDBHSA-N 0 1 394.431 3.657 20 5 GHBDMN CC(C)(C)c1cc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)n(C(C)(C)C)n1 ZINC000119988279 919674766 /nfs/dbraw/zinc/67/47/66/919674766.db2.gz JCNPZCYQLVJOQJ-UHFFFAOYSA-N 0 1 386.499 3.706 20 5 GHBDMN C[C@H](CNCc1c(Cl)cccc1S(C)(=O)=O)c1ccccc1[N+](=O)[O-] ZINC000902673767 922388410 /nfs/dbraw/zinc/38/84/10/922388410.db2.gz HXXVFFXABVEGTH-GFCCVEGCSA-N 0 1 382.869 3.545 20 5 GHBDMN COc1cc([C@@H](C)NCc2ccc(C(=O)N3CCCC3)cc2)cc([N+](=O)[O-])c1 ZINC000903083120 922758715 /nfs/dbraw/zinc/75/87/15/922758715.db2.gz ZXQDSFMBIKOJJB-OAHLLOKOSA-N 0 1 383.448 3.690 20 5 GHBDMN CCOc1c(OC)cc(CN[C@H](C)c2cc(OC)cc([N+](=O)[O-])c2)cc1OC ZINC000903085172 922760211 /nfs/dbraw/zinc/76/02/11/922760211.db2.gz AGMWWYKOBUKLOH-CYBMUJFWSA-N 0 1 390.436 3.870 20 5 GHBDMN Cn1cc([C@]2(CN[C@H](c3ccccc3)c3cccc([N+](=O)[O-])c3)CCCO2)cn1 ZINC000903362452 922960927 /nfs/dbraw/zinc/96/09/27/922960927.db2.gz ZUDDZZREHLSITR-FGZHOGPDSA-N 0 1 392.459 3.713 20 5 GHBDMN O=C(N[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)c1cccc(F)c1O ZINC001276046586 924823391 /nfs/dbraw/zinc/82/33/91/924823391.db2.gz XPXWRTJTWKOZFB-CYBMUJFWSA-N 0 1 376.237 3.612 20 5 GHBDMN O=C(Nc1ccccc1-c1nnc[nH]1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000373156761 925894794 /nfs/dbraw/zinc/89/47/94/925894794.db2.gz XYDYKDIDQSOIDH-UHFFFAOYSA-N 0 1 392.400 3.756 20 5 GHBDMN COc1ccc(NC(=O)C2(NCc3cccc([N+](=O)[O-])c3)CCCC2)cc1OC ZINC000133071662 926049911 /nfs/dbraw/zinc/04/99/11/926049911.db2.gz KREZTFRJEFCGQB-UHFFFAOYSA-N 0 1 399.447 3.653 20 5 GHBDMN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1CCOc1ccccc1[N+](=O)[O-] ZINC000726602657 926757733 /nfs/dbraw/zinc/75/77/33/926757733.db2.gz 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CCCc1[nH]nc(C(=O)N2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)c1[N+](=O)[O-] ZINC000753202107 929250795 /nfs/dbraw/zinc/25/07/95/929250795.db2.gz DOCIPNGQLUOQAB-GFCCVEGCSA-N 0 1 396.369 3.919 20 5 GHBDMN O=[N+]([O-])c1ccc(N2CCC(N[C@H]3COc4cc(F)cc(F)c43)CC2)cc1 ZINC000753596906 929438169 /nfs/dbraw/zinc/43/81/69/929438169.db2.gz VJWIGSKBKISKPO-KRWDZBQOSA-N 0 1 375.375 3.565 20 5 GHBDMN CC[C@@H]1CN(Cc2ccc(OC)c([N+](=O)[O-])c2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000757111317 929650837 /nfs/dbraw/zinc/65/08/37/929650837.db2.gz VOMBLYQYTMGZGZ-CVEARBPZSA-N 0 1 393.484 3.729 20 5 GHBDMN CCCc1[nH]nc(C(=O)N(CC)Cc2ccccc2Br)c1[N+](=O)[O-] ZINC000545993684 929753621 /nfs/dbraw/zinc/75/36/21/929753621.db2.gz UNQYEUZCLWBIAK-UHFFFAOYSA-N 0 1 395.257 3.695 20 5 GHBDMN Cc1cc(-c2noc(-c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)n2)cc2nc[nH]c21 ZINC000546440897 930166054 /nfs/dbraw/zinc/16/60/54/930166054.db2.gz WXBYYNJMJSBJLM-UHFFFAOYSA-N 0 1 387.359 3.682 20 5 GHBDMN Cc1ccc2[nH]cc(CCC(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)n[nH]3)c2c1 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C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](NC(=O)c2ccccc2F)C1 ZINC001254567958 1040343543 /nfs/dbraw/zinc/34/35/43/1040343543.db2.gz DIFKWKYVQTVNPX-DOTOQJQBSA-N 0 1 385.439 3.559 20 5 GHBDMN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCC[C@@H](NC(=O)c2ccccc2F)C1 ZINC001254567958 1040343557 /nfs/dbraw/zinc/34/35/57/1040343557.db2.gz DIFKWKYVQTVNPX-DOTOQJQBSA-N 0 1 385.439 3.559 20 5 GHBDMN O=[N+]([O-])c1ccc2c(c1)C[C@H](NCc1c(F)cc(Br)cc1F)C2 ZINC001254580115 1040355120 /nfs/dbraw/zinc/35/51/20/1040355120.db2.gz CBOKUCJETUKCLD-GFCCVEGCSA-N 0 1 383.192 3.893 20 5 GHBDMN COc1c(O)ccc(CNCc2cn(C(F)F)c3ccccc23)c1[N+](=O)[O-] ZINC001462491784 1070298326 /nfs/dbraw/zinc/29/83/26/1070298326.db2.gz FFQSBFPYDYHHBO-UHFFFAOYSA-N 0 1 377.347 3.949 20 5 GHBDMN Cc1ccc(-c2nnc([C@@H]3CC[N@@H+](Cc4ccccc4)C3)o2)c([N+](=O)[O-])c1[O-] ZINC001255486595 1041082832 /nfs/dbraw/zinc/08/28/32/1041082832.db2.gz JNMOPUFBDGOVSV-OAHLLOKOSA-N 0 1 380.404 3.648 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)c2ncnc(NC3CCN(Cc4ccccn4)CC3)c2c1 ZINC001261156474 1045909950 /nfs/dbraw/zinc/90/99/50/1045909950.db2.gz MVJXCOWVYNRZGN-UHFFFAOYSA-N 0 1 398.854 3.663 20 5 GHBDMN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCc2nc[nH]c2[C@H]1c1ccccc1 ZINC001302294426 1046902660 /nfs/dbraw/zinc/90/26/60/1046902660.db2.gz VEOOBRKTXIOVSL-HXUWFJFHSA-N 0 1 396.834 3.688 20 5 GHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[C@@H](CNc2ccc(Cl)cc2)C1 ZINC001303918547 1047533814 /nfs/dbraw/zinc/53/38/14/1047533814.db2.gz PURZHSYSAXKQEC-ZDUSSCGKSA-N 0 1 389.839 3.918 20 5 GHBDMN CCN1CCN(c2cc(N(C)C(=O)CC3CCCCC3)cc([N+](=O)[O-])c2)CC1 ZINC001287672319 1048874587 /nfs/dbraw/zinc/87/45/87/1048874587.db2.gz ZAXKYNGZVPBMEW-UHFFFAOYSA-N 0 1 388.512 3.670 20 5 GHBDMN C[C@@H]1C[C@H](C)CN(CCN[C@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)C1 ZINC001307840358 1049626426 /nfs/dbraw/zinc/62/64/26/1049626426.db2.gz BGMVULKLWKGCNJ-BFQNTYOBSA-N 0 1 377.382 3.905 20 5 GHBDMN O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@@H](O)c2c(F)cccc2Cl)c1 ZINC001308283009 1049936928 /nfs/dbraw/zinc/93/69/28/1049936928.db2.gz QTIFCUHHEXCESP-CYBMUJFWSA-N 0 1 390.745 3.812 20 5 GHBDMN Cn1c(=O)oc2ccc(CNCc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)cc21 ZINC001308485610 1049987113 /nfs/dbraw/zinc/98/71/13/1049987113.db2.gz BTIOLGZBFGKRBB-UHFFFAOYSA-N 0 1 379.372 3.590 20 5 GHBDMN COc1c(O)ccc(CNCc2cc(Br)ccc2C)c1[N+](=O)[O-] ZINC001308864632 1050129764 /nfs/dbraw/zinc/12/97/64/1050129764.db2.gz MVPOWWCBOOHWMG-UHFFFAOYSA-N 0 1 381.226 3.670 20 5 GHBDMN CCN1CCN(c2ccc(NCc3ccc([N+](=O)[O-])cc3F)cc2F)CC1 ZINC001308910378 1050158116 /nfs/dbraw/zinc/15/81/16/1050158116.db2.gz PVISQVUCTTUOCX-UHFFFAOYSA-N 0 1 376.407 3.627 20 5 GHBDMN CN1CCN(c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)[C@H](c2ccccc2)C1 ZINC001330622996 1051044389 /nfs/dbraw/zinc/04/43/89/1051044389.db2.gz XGCBCQUIBITNGP-KRWDZBQOSA-N 0 1 383.839 3.685 20 5 GHBDMN CC[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2OC)CCN1Cc1ccccc1 ZINC001310594967 1051475261 /nfs/dbraw/zinc/47/52/61/1051475261.db2.gz OHQXOTZBZHOHDB-KRWDZBQOSA-N 0 1 398.463 3.732 20 5 GHBDMN O=C1O[C@@H](CNCc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CN1C1CC1 ZINC001332945984 1051611915 /nfs/dbraw/zinc/61/19/15/1051611915.db2.gz KEVOVKRIMJSKGL-AWEZNQCLSA-N 0 1 391.811 3.581 20 5 GHBDMN Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1C[C@H](C(=O)[O-])[C@@H](c2ccc(F)cc2F)C1 ZINC001334024630 1051887198 /nfs/dbraw/zinc/88/71/98/1051887198.db2.gz CHYJTCQBSKKJMV-SJORKVTESA-N 0 1 390.386 3.790 20 5 GHBDMN COc1ccc(C[C@@H](C)N(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC001334278056 1051926517 /nfs/dbraw/zinc/92/65/17/1051926517.db2.gz DORITOURCLDZHS-CYBMUJFWSA-N 0 1 391.855 3.758 20 5 GHBDMN CC(C)(C)OC(=O)N1CC[C@](C)(CN2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001321525491 1056302824 /nfs/dbraw/zinc/30/28/24/1056302824.db2.gz VAWVJDOPOXEKSX-HXUWFJFHSA-N 0 1 375.469 3.600 20 5 GHBDMN O=C1[C@H](NCc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C[C@@H]2CCCCN12 ZINC001324551599 1057162999 /nfs/dbraw/zinc/16/29/99/1057162999.db2.gz VQYISYZDXMVQRN-XJKSGUPXSA-N 0 1 389.839 3.751 20 5 GHBDMN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N(Cc1ccccc1F)C1CC1 ZINC001440724430 1058601173 /nfs/dbraw/zinc/60/11/73/1058601173.db2.gz PXFQHDJAEPGBAR-UHFFFAOYSA-N 0 1 380.379 3.929 20 5 GHBDMN C[N@@H+](Cc1ccccc1CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C1CCCCC1 ZINC001442075509 1058913033 /nfs/dbraw/zinc/91/30/33/1058913033.db2.gz BSPPVUKPYKVZSY-UHFFFAOYSA-N 0 1 397.475 3.995 20 5 GHBDMN COc1ccc2nc([C@@H](C)NC(=O)c3cc(Cl)c(F)c([N+](=O)[O-])c3)[nH]c2c1 ZINC001448109862 1060107055 /nfs/dbraw/zinc/10/70/55/1060107055.db2.gz BWACWPBIRZNQIO-MRVPVSSYSA-N 0 1 392.774 3.763 20 5 GHBDMN O=C(Cc1ccccc1[N+](=O)[O-])N1CCc2nc[nH]c2[C@H]1c1ccc(Cl)cc1 ZINC001451927844 1060865149 /nfs/dbraw/zinc/86/51/49/1060865149.db2.gz XWUDWNYDCSPJJN-HXUWFJFHSA-N 0 1 396.834 3.688 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N2CCc3ccc(Cl)c(Cl)c3C2)c1[N+](=O)[O-] ZINC001452983508 1061056459 /nfs/dbraw/zinc/05/64/59/1061056459.db2.gz JOIHSPNECKVXJT-UHFFFAOYSA-N 0 1 383.235 3.947 20 5 GHBDMN O=C(c1cccc([N+](=O)[O-])c1Cl)N1CCc2nc[nH]c2[C@H]1c1ccccc1 ZINC001454640108 1061897714 /nfs/dbraw/zinc/89/77/14/1061897714.db2.gz UGACUKXJHAECSL-GOSISDBHSA-N 0 1 382.807 3.759 20 5 GHBDMN CCc1[nH]nc(C(=O)N2CCC[C@@]2(C)Cc2cc(F)c(F)c(F)c2)c1[N+](=O)[O-] ZINC001455243334 1062068514 /nfs/dbraw/zinc/06/85/14/1062068514.db2.gz RSSCQZDYIXWFCN-SFHVURJKSA-N 0 1 396.369 3.535 20 5 GHBDMN CC[C@@H](C)Oc1cc(C)ccc1CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001457919444 1063444579 /nfs/dbraw/zinc/44/45/79/1063444579.db2.gz QLFARDOJTLULDA-CYBMUJFWSA-N 0 1 382.420 3.887 20 5 GHBDMN CC(C)(C)c1ccc(C(=O)Nc2ccc(OC(=O)[C@@H]3CC3[N+](=O)[O-])cc2)cc1 ZINC001349392631 1063695576 /nfs/dbraw/zinc/69/55/76/1063695576.db2.gz SBMRPOFOANVPTF-QZTJIDSGSA-N 0 1 382.416 3.807 20 5 GHBDMN O=C1[C@@H](N2CCC(Cc3cccc(F)c3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC001459318646 1064061290 /nfs/dbraw/zinc/06/12/90/1064061290.db2.gz XYCCHAOSODDLMA-NRFANRHFSA-N 0 1 397.450 3.794 20 5 GHBDMN CC[C@H](c1ccccc1)N1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC001465460592 1065635667 /nfs/dbraw/zinc/63/56/67/1065635667.db2.gz JDDQFQFSYIGKKS-OAQYLSRUSA-N 0 1 392.459 3.985 20 5 GHBDMN O=C(NCc1ccc2cncn2c1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC001465988608 1065947602 /nfs/dbraw/zinc/94/76/02/1065947602.db2.gz DUIZIDOQJVHYLO-UHFFFAOYSA-N 0 1 379.298 3.583 20 5 GHBDMN Cn1cc(NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)c(-c2ccccc2)n1 ZINC001466500308 1066173675 /nfs/dbraw/zinc/17/36/75/1066173675.db2.gz OPVRCYMDWRFSQV-UHFFFAOYSA-N 0 1 388.387 3.638 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@H]3O[C@@H](c4ccccc4)C[C@H]32)c1[N+](=O)[O-] ZINC001469727175 1068341182 /nfs/dbraw/zinc/34/11/82/1068341182.db2.gz WBGDVBAFLLYPSC-BZUAXINKSA-N 0 1 384.436 3.576 20 5 GHBDMN CCC1(CC)[C@H](NCc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C[C@H]1OC ZINC001460072208 1068762788 /nfs/dbraw/zinc/76/27/88/1068762788.db2.gz XXZSGYBPNQZCOS-HUUCEWRRSA-N 0 1 394.859 3.982 20 5 GHBDMN CCOc1ccc(NC(=O)CN2CCCC[C@H]2CC2CCC2)c([N+](=O)[O-])c1 ZINC001460481349 1068975017 /nfs/dbraw/zinc/97/50/17/1068975017.db2.gz JGMWHEAYJCQMQR-INIZCTEOSA-N 0 1 375.469 3.977 20 5 GHBDMN C[C@@H](NCC(=O)NCc1ccc(F)cc1C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC001460767361 1069165944 /nfs/dbraw/zinc/16/59/44/1069165944.db2.gz QXRDIFFKLHDAOZ-LLVKDONJSA-N 0 1 399.344 3.720 20 5 GHBDMN CC(C)(C)OC(=O)NCC(C)(C)C1CCN(Cc2cccnc2[N+](=O)[O-])CC1 ZINC001460863847 1069234347 /nfs/dbraw/zinc/23/43/47/1069234347.db2.gz XKDHERWJGAYSRF-UHFFFAOYSA-N 0 1 392.500 3.753 20 5 GHBDMN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N1CCc2nc[nH]c2[C@H]1c1ccccc1 ZINC001471036540 1072896976 /nfs/dbraw/zinc/89/69/76/1072896976.db2.gz UWWWAAWZVKKDCB-HXUWFJFHSA-N 0 1 396.834 3.688 20 5 GHBDMN COc1cc(N2CCCN(Cc3ccccc3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC001472646015 1073592703 /nfs/dbraw/zinc/59/27/03/1073592703.db2.gz KWIJVJBFXBHENJ-UHFFFAOYSA-N 0 1 375.856 3.969 20 5 GHBDMN Cc1cc(N2CC[C@]3(C2)CN(Cc2ccccc2)C[C@@H](C)O3)ccc1[N+](=O)[O-] ZINC001472862320 1073700842 /nfs/dbraw/zinc/70/08/42/1073700842.db2.gz LNAHBAOWEAERRG-XMSQKQJNSA-N 0 1 381.476 3.773 20 5 GHBDMN CC(C)(C)OC(=O)NC1CCN(CCNc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC001472874561 1073706411 /nfs/dbraw/zinc/70/64/11/1073706411.db2.gz CQXQCYNROHXDKV-UHFFFAOYSA-N 0 1 398.891 3.649 20 5 GHBDMN Cc1ccc(C[C@H]2CCCN(CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C2)cc1 ZINC001473133725 1073797532 /nfs/dbraw/zinc/79/75/32/1073797532.db2.gz BITVWDJHSFSBOI-LJQANCHMSA-N 0 1 393.487 3.747 20 5 GHBDMN CCOc1ccc(NC(=O)CN2CC[C@H](C3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC001473620963 1074051688 /nfs/dbraw/zinc/05/16/88/1074051688.db2.gz DDIHGGGHDRTURW-INIZCTEOSA-N 0 1 375.469 3.834 20 5 GHBDMN CC1(C)[C@@H](c2ccccc2F)CCN1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001473726528 1074111030 /nfs/dbraw/zinc/11/10/30/1074111030.db2.gz HCBCTLQIGVADDL-GOSISDBHSA-N 0 1 397.450 3.891 20 5 GHBDMN COc1ccc(CN[C@@H](Cn2ccnc2)c2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC001474082108 1074257519 /nfs/dbraw/zinc/25/75/19/1074257519.db2.gz KMTJGEKBRXRAIM-IBGZPJMESA-N 0 1 380.448 3.948 20 5 GHBDMN CC1CCC2(CC1)OC[C@@H](CNCc1cc([N+](=O)[O-])ccc1OC(F)F)O2 ZINC001474090436 1074260279 /nfs/dbraw/zinc/26/02/79/1074260279.db2.gz IKGCBSUVKWGUHE-HBSPSFQMSA-N 0 1 386.395 3.608 20 5 GHBDMN CC(C)[C@H](CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 ZINC001474318915 1074340139 /nfs/dbraw/zinc/34/01/39/1074340139.db2.gz WQYANXLUUKRFTQ-NRFANRHFSA-N 0 1 381.476 3.792 20 5 GHBDMN O=C([O-])c1cc([N+](=O)[O-])c(N2CCC[N@@H+](Cc3ccccc3)CC2)cc1Cl ZINC000740090085 600942548 /nfs/dbraw/zinc/94/25/48/600942548.db2.gz RKUPMDYMIIVBAH-UHFFFAOYSA-N 0 1 389.839 3.659 20 5 GHBDMN C[C@@H](NC(=O)[O-])[C@H]1CCC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000833811209 605595450 /nfs/dbraw/zinc/59/54/50/605595450.db2.gz AUPNDDJFJLFXBS-OCCSQVGLSA-N 0 1 390.465 3.586 20 5 GHBDMN C[C@@H](NC(=O)[O-])[C@H]1CCC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000833811209 605595452 /nfs/dbraw/zinc/59/54/52/605595452.db2.gz AUPNDDJFJLFXBS-OCCSQVGLSA-N 0 1 390.465 3.586 20 5 GHBDMN O=C(/C=C\C1CCCCC1)Nc1cc(-c2nn[nH]n2)cc([N+](=O)[O-])c1Cl ZINC000826400208 608161829 /nfs/dbraw/zinc/16/18/29/608161829.db2.gz SEGHVCSWWNPTCU-SREVYHEPSA-N 0 1 376.804 3.503 20 5 GHBDMN O=[N+]([O-])c1cccc(CNCc2ccc(OCCOc3ccccc3)nc2)c1 ZINC000120966314 837569360 /nfs/dbraw/zinc/56/93/60/837569360.db2.gz HJDVKBYSABWAQS-UHFFFAOYSA-N 0 1 379.416 3.737 20 5 GHBDMN COc1ccc(Cl)cc1NC(=O)CCN(C)Cc1ccccc1[N+](=O)[O-] ZINC000046599314 834794337 /nfs/dbraw/zinc/79/43/37/834794337.db2.gz TWFHQQOZKFZDQO-UHFFFAOYSA-N 0 1 377.828 3.717 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@H](C)c1cc(C)sc1C ZINC000179373964 835651605 /nfs/dbraw/zinc/65/16/05/835651605.db2.gz YFNVZXNTZPXUOB-RYUDHWBXSA-N 0 1 377.466 3.960 20 5 GHBDMN Cc1cc(S(=O)(=O)Nc2ccc(Cc3ccncc3)cc2)ccc1[N+](=O)[O-] ZINC000179377873 835666515 /nfs/dbraw/zinc/66/65/15/835666515.db2.gz ZYSJUVIILNLOBD-UHFFFAOYSA-N 0 1 383.429 3.690 20 5 GHBDMN CC(=O)Nc1ccc(Cl)cc1NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000584141842 835696379 /nfs/dbraw/zinc/69/63/79/835696379.db2.gz REAKPBWXPBGQPD-UHFFFAOYSA-N 0 1 397.840 3.624 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(OCc2ccccn2)c1 ZINC000032597258 835721461 /nfs/dbraw/zinc/72/14/61/835721461.db2.gz MEYQMZVAJQLHPA-UHFFFAOYSA-N 0 1 399.428 3.678 20 5 GHBDMN C[C@@H](N[C@@H](C)c1cccc(OC(F)F)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000179588926 835886840 /nfs/dbraw/zinc/88/68/40/835886840.db2.gz UEOQSALSPZXUHR-NWDGAFQWSA-N 0 1 379.363 3.874 20 5 GHBDMN CC(C)Oc1cccc([C@@H](C)NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1 ZINC000179672305 835932451 /nfs/dbraw/zinc/93/24/51/835932451.db2.gz FYJOKHHECNPOMJ-OAHLLOKOSA-N 0 1 383.448 3.622 20 5 GHBDMN Cc1[nH+]ccn1-c1ccc([C@H](C)N=c2[n-]c(-c3ccc([N+](=O)[O-])cc3)no2)cc1 ZINC000433409350 844108996 /nfs/dbraw/zinc/10/89/96/844108996.db2.gz JNPLWGSTMPBGFB-ZDUSSCGKSA-N 0 1 390.403 3.734 20 5 GHBDMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000179842047 836086557 /nfs/dbraw/zinc/08/65/57/836086557.db2.gz KBZIHUOIMRAHNP-UHFFFAOYSA-N 0 1 398.329 3.847 20 5 GHBDMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000179859209 836087021 /nfs/dbraw/zinc/08/70/21/836087021.db2.gz MFHPPBRKWBMDDG-UHFFFAOYSA-N 0 1 398.329 3.847 20 5 GHBDMN CC(=O)Nc1ccccc1CN1CC=C(c2cc(C)c(N)c([N+](=O)[O-])c2)CC1 ZINC000359869374 836102799 /nfs/dbraw/zinc/10/27/99/836102799.db2.gz IDSIMQLUYNEICW-UHFFFAOYSA-N 0 1 380.448 3.733 20 5 GHBDMN Cc1[nH]ncc1C1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000375912829 836193400 /nfs/dbraw/zinc/19/34/00/836193400.db2.gz DMZDOYRISBQARY-UHFFFAOYSA-N 0 1 394.884 3.778 20 5 GHBDMN Cc1[nH]ncc1C1CCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000375922082 836220333 /nfs/dbraw/zinc/22/03/33/836220333.db2.gz MBFAZFWRMFEUCG-UHFFFAOYSA-N 0 1 382.342 3.665 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000548933627 836289068 /nfs/dbraw/zinc/28/90/68/836289068.db2.gz IGHNCBOYUUPQMT-BCDXTJNWSA-N 0 1 395.459 3.953 20 5 GHBDMN COc1c(O)ccc(CN2CCC(n3c(C)nc4ccccc43)CC2)c1[N+](=O)[O-] ZINC000894162088 844218474 /nfs/dbraw/zinc/21/84/74/844218474.db2.gz NFRBKFOGHJTLDH-UHFFFAOYSA-N 0 1 396.447 3.804 20 5 GHBDMN Cc1cccc2nc(CNC(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])[nH]c21 ZINC000544087277 837116730 /nfs/dbraw/zinc/11/67/30/837116730.db2.gz FSPSYJMKVWBQJG-UHFFFAOYSA-N 0 1 390.852 3.841 20 5 GHBDMN O=C(CCc1nc2ccccc2s1)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000103202106 838375834 /nfs/dbraw/zinc/37/58/34/838375834.db2.gz CQXOZRLGGDIUDS-UHFFFAOYSA-N 0 1 394.416 3.561 20 5 GHBDMN O=C(NC[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1)Nc1cccc(F)c1 ZINC000104060543 838612357 /nfs/dbraw/zinc/61/23/57/838612357.db2.gz OPARRFQRTDPMBC-INIZCTEOSA-N 0 1 386.427 3.768 20 5 GHBDMN CC[C@@H]1CN(c2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000579597827 839431610 /nfs/dbraw/zinc/43/16/10/839431610.db2.gz GGQNZEBYYVSBOU-QGZVFWFLSA-N 0 1 383.448 3.702 20 5 GHBDMN C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000610446431 839758141 /nfs/dbraw/zinc/75/81/41/839758141.db2.gz YRHAPPSQVJKJKI-HNNXBMFYSA-N 0 1 387.867 3.985 20 5 GHBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(-c2ncc(C)o2)c1 ZINC000517520006 839999801 /nfs/dbraw/zinc/99/98/01/839999801.db2.gz UWFFJQSGQPSZGA-UHFFFAOYSA-N 0 1 387.417 3.921 20 5 GHBDMN O=C(Nc1nc2ccc(C(F)(F)F)cc2[nH]1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000178634113 844556469 /nfs/dbraw/zinc/55/64/69/844556469.db2.gz LIJPOCPDMLNXDE-UHFFFAOYSA-N 0 1 395.253 3.650 20 5 GHBDMN Cc1cc(CN[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)nc(N2CCCC2)n1 ZINC000417349846 840748389 /nfs/dbraw/zinc/74/83/89/840748389.db2.gz MWHNKBANDRVRDN-FQEVSTJZSA-N 0 1 381.480 3.851 20 5 GHBDMN CC[C@H](NCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000124234917 840843673 /nfs/dbraw/zinc/84/36/73/840843673.db2.gz IXSGYNVCEDACEK-HNNXBMFYSA-N 0 1 377.828 3.936 20 5 GHBDMN CCCc1[nH]nc(C(=O)N2CCC[C@H](c3ccc(F)c(F)c3)C2)c1[N+](=O)[O-] ZINC000600186926 861213267 /nfs/dbraw/zinc/21/32/67/861213267.db2.gz UYLBLGQMADGUGX-LBPRGKRZSA-N 0 1 378.379 3.568 20 5 GHBDMN Cc1cc(N2CCC(NC(=O)c3ccccc3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302202134 861238916 /nfs/dbraw/zinc/23/89/16/861238916.db2.gz VSDIKXUGTNFOMF-UHFFFAOYSA-N 0 1 390.443 3.850 20 5 GHBDMN CCCc1[nH]nc(C(=O)N2CC=C(c3c[nH]c4cc(F)ccc43)CC2)c1[N+](=O)[O-] ZINC000109619466 841975425 /nfs/dbraw/zinc/97/54/25/841975425.db2.gz OEAMKBGOFISGQA-UHFFFAOYSA-N 0 1 397.410 3.820 20 5 GHBDMN O=[N+]([O-])c1cc(CN[C@H]2CCN(c3ccccc3Br)C2)cs1 ZINC000111408187 842066210 /nfs/dbraw/zinc/06/62/10/842066210.db2.gz YZDCIOSTYWOTNR-LBPRGKRZSA-N 0 1 382.283 3.787 20 5 GHBDMN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000119528380 842263482 /nfs/dbraw/zinc/26/34/82/842263482.db2.gz BTYNGBAVOKSVKH-DTWKUNHWSA-N 0 1 386.779 3.648 20 5 GHBDMN CN(C)Cc1cc(CNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)ccc1F ZINC000131317763 861314245 /nfs/dbraw/zinc/31/42/45/861314245.db2.gz UWOQOQYZFHUKPG-UHFFFAOYSA-N 0 1 399.344 3.744 20 5 GHBDMN C[C@H]1CCCC[N@H+]1Cc1ccc(CNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000567980543 842912227 /nfs/dbraw/zinc/91/22/27/842912227.db2.gz DBNTUBCSXIJICD-AWEZNQCLSA-N 0 1 384.436 3.675 20 5 GHBDMN CC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000432534811 843055056 /nfs/dbraw/zinc/05/50/56/843055056.db2.gz MZTRPIWQXAIQKX-UHFFFAOYSA-N 0 1 383.282 3.530 20 5 GHBDMN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000510661993 843150072 /nfs/dbraw/zinc/15/00/72/843150072.db2.gz HCVRFKBMQXNCFJ-UHFFFAOYSA-N 0 1 392.419 3.791 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(Cl)ccc1N1CCN(C)CC1 ZINC000067025188 843375783 /nfs/dbraw/zinc/37/57/83/843375783.db2.gz FSAYQWHUJMZQKO-UHFFFAOYSA-N 0 1 388.855 3.561 20 5 GHBDMN CCOC(=O)C(C)(C)C1CCN(Cc2cc([N+](=O)[O-])ccc2OCC)CC1 ZINC000510906740 843773393 /nfs/dbraw/zinc/77/33/93/843773393.db2.gz PBZFJPLXVFAAGR-UHFFFAOYSA-N 0 1 378.469 3.795 20 5 GHBDMN CCc1cc(N2CCCC[C@H]2c2n[nH]c(C)n2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000509533070 843795908 /nfs/dbraw/zinc/79/59/08/843795908.db2.gz OPVAAQOHICILAJ-KRWDZBQOSA-N 0 1 393.451 3.772 20 5 GHBDMN CC1(C)C[C@@H](N[C@H]2CCN(c3ccccc3F)C2=O)c2cc([N+](=O)[O-])ccc21 ZINC000433286546 843984631 /nfs/dbraw/zinc/98/46/31/843984631.db2.gz OCMHWHOLBJQXDI-ZWKOTPCHSA-N 0 1 383.423 3.851 20 5 GHBDMN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cc(Cl)ccc1-n1cccn1 ZINC000603980399 861499562 /nfs/dbraw/zinc/49/95/62/861499562.db2.gz VEPZTEOGNZMKGQ-UHFFFAOYSA-N 0 1 392.824 3.543 20 5 GHBDMN O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC(c2ncc(C(F)(F)F)[nH]2)CC1 ZINC000120459780 844955896 /nfs/dbraw/zinc/95/58/96/844955896.db2.gz OYQDZMSUQVWEIC-UHFFFAOYSA-N 0 1 396.369 3.676 20 5 GHBDMN C[C@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccc(OC(F)(F)F)cc1 ZINC000182515378 845478449 /nfs/dbraw/zinc/47/84/49/845478449.db2.gz HHMCGPUAGGLRGR-LBPRGKRZSA-N 0 1 397.353 3.807 20 5 GHBDMN C[C@@H](N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000538501448 845491545 /nfs/dbraw/zinc/49/15/45/845491545.db2.gz MGMDXRJOJYFXIW-PIGZYNQJSA-N 0 1 377.803 3.843 20 5 GHBDMN CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)COc1ccccc1Cl ZINC000513484904 845536073 /nfs/dbraw/zinc/53/60/73/845536073.db2.gz MZLDKHUFUQEJPP-KRWDZBQOSA-N 0 1 378.856 3.899 20 5 GHBDMN COC[C@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)[C@H]1CCCO1 ZINC000433174074 845586352 /nfs/dbraw/zinc/58/63/52/845586352.db2.gz JQOMRBHQCYVFDE-FUHWJXTLSA-N 0 1 380.828 3.792 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@H](C)c1cc(C)ccc1OC ZINC000015500096 845601210 /nfs/dbraw/zinc/60/12/10/845601210.db2.gz PHZYEQKIXLOVFD-KBPBESRZSA-N 0 1 387.436 3.598 20 5 GHBDMN COCCN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCCSC1 ZINC000433182038 845621469 /nfs/dbraw/zinc/62/14/69/845621469.db2.gz MUPSRWMMUVUWGT-QGZVFWFLSA-N 0 1 377.466 3.594 20 5 GHBDMN CN(C)C(=O)[C@H](Cc1ccccc1)N[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433177899 845630697 /nfs/dbraw/zinc/63/06/97/845630697.db2.gz RDDAJFJPIRCPEX-VQTJNVASSA-N 0 1 381.476 3.606 20 5 GHBDMN CC[C@@H]1C[C@@]1(NCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1cccc(C)c1 ZINC000502578958 846223860 /nfs/dbraw/zinc/22/38/60/846223860.db2.gz MPBYYYZULQRDRR-VFNWGFHPSA-N 0 1 383.448 3.765 20 5 GHBDMN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@H]1c1ccccc1Cl ZINC000582085255 846278023 /nfs/dbraw/zinc/27/80/23/846278023.db2.gz ZABIGUCTRRZKEJ-YOEHRIQHSA-N 0 1 376.840 3.825 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)Cc1cnn(-c2ccccc2)c1 ZINC000063483312 846371040 /nfs/dbraw/zinc/37/10/40/846371040.db2.gz QWEOWHHCZXGBKP-UHFFFAOYSA-N 0 1 393.447 3.550 20 5 GHBDMN CN(C(=O)[C@H](Cc1ccccc1)NCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000237076137 847062196 /nfs/dbraw/zinc/06/21/96/847062196.db2.gz KKZQAWQAJVHPLZ-QFIPXVFZSA-N 0 1 389.455 3.959 20 5 GHBDMN C[C@H]1C[C@@]1(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000503364059 847642120 /nfs/dbraw/zinc/64/21/20/847642120.db2.gz CMNUELOENTXZLI-UGSOOPFHSA-N 0 1 394.880 3.547 20 5 GHBDMN CC[C@H]1CN(c2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000582727196 848160664 /nfs/dbraw/zinc/16/06/64/848160664.db2.gz CPHNEHTZCDLASW-KRWDZBQOSA-N 0 1 383.448 3.702 20 5 GHBDMN CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](CN(CC)CC(F)(F)F)C1 ZINC000176398611 849079329 /nfs/dbraw/zinc/07/93/29/849079329.db2.gz YFMWHGJQZBIWIA-AWEZNQCLSA-N 0 1 389.418 3.700 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@H](C)c1cccc(Cl)c1 ZINC000057421430 862088193 /nfs/dbraw/zinc/08/81/93/862088193.db2.gz BDEUMBHKASJRPT-VXGBXAGGSA-N 0 1 377.828 3.935 20 5 GHBDMN Cc1c(NC(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)cccc1[N+](=O)[O-] ZINC000504601269 850169959 /nfs/dbraw/zinc/16/99/59/850169959.db2.gz IYINTGKSCWVFFE-MRXNPFEDSA-N 0 1 389.402 3.999 20 5 GHBDMN CC(C)[N@@H+](C)Cc1ccccc1CN=c1[n-]c(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000486973924 850324094 /nfs/dbraw/zinc/32/40/94/850324094.db2.gz QZXNPLLWORFOGP-UHFFFAOYSA-N 0 1 381.436 3.519 20 5 GHBDMN COC(=O)c1cnc([C@H](C)N[C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])s1 ZINC000424335990 850371900 /nfs/dbraw/zinc/37/19/00/850371900.db2.gz XHDMDJKHBKJPDO-GUTXKFCHSA-N 0 1 389.477 3.900 20 5 GHBDMN CCOc1ccc([C@@H](C)NCc2cccc(C(=O)NC3CC3)c2)cc1[N+](=O)[O-] ZINC000504899602 850429203 /nfs/dbraw/zinc/42/92/03/850429203.db2.gz JGFXTEZAFFFPHK-CQSZACIVSA-N 0 1 383.448 3.737 20 5 GHBDMN CCOc1ccc([C@@H](C)NCC(=O)N(CC)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000504927698 850464505 /nfs/dbraw/zinc/46/45/05/850464505.db2.gz SSQIZUGAFBZTSB-MRXNPFEDSA-N 0 1 385.464 3.693 20 5 GHBDMN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc(CN(C)C)c(F)c1 ZINC000439871424 850520282 /nfs/dbraw/zinc/52/02/82/850520282.db2.gz OQHLCPKROVXNQM-UHFFFAOYSA-N 0 1 390.415 3.516 20 5 GHBDMN COCCC1(CN[C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000514957068 850534685 /nfs/dbraw/zinc/53/46/85/850534685.db2.gz MORUNQXPNAERBN-LJQANCHMSA-N 0 1 386.496 3.994 20 5 GHBDMN Cc1cc(OCC(=O)Nc2ccccc2-c2nnc(C(C)C)[nH]2)ccc1[N+](=O)[O-] ZINC000435578818 850687552 /nfs/dbraw/zinc/68/75/52/850687552.db2.gz JCJGDEMGNIMVHM-UHFFFAOYSA-N 0 1 395.419 3.829 20 5 GHBDMN CC(C)N(CC(N)=O)Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000506804458 850962864 /nfs/dbraw/zinc/96/28/64/850962864.db2.gz GPNHNOZOHMBXQV-UHFFFAOYSA-N 0 1 377.828 3.736 20 5 GHBDMN CCc1[nH]nc(C(=O)N(CC)[C@H](C)Cc2ccccc2C(F)(F)F)c1[N+](=O)[O-] ZINC000435953518 851021318 /nfs/dbraw/zinc/02/13/18/851021318.db2.gz ONUPHYSSVZMITF-LLVKDONJSA-N 0 1 398.385 3.992 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc2[nH]c(C3CCC3)nc2c1 ZINC000436003876 851100786 /nfs/dbraw/zinc/10/07/86/851100786.db2.gz ISBHLYDWGKWJJQ-UHFFFAOYSA-N 0 1 386.433 3.848 20 5 GHBDMN O=[N+]([O-])c1cnn(CCNCc2ccc(-c3ccc(Br)cc3)o2)c1 ZINC000151283880 851149439 /nfs/dbraw/zinc/14/94/39/851149439.db2.gz JFVSTIPWDXHUDS-UHFFFAOYSA-N 0 1 391.225 3.604 20 5 GHBDMN C[C@@H](C1CC1)N(CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C1CC1 ZINC000434614540 851350721 /nfs/dbraw/zinc/35/07/21/851350721.db2.gz AFFKJKTWVCHPSR-LBPRGKRZSA-N 0 1 386.477 3.920 20 5 GHBDMN O=[N+]([O-])c1cnc(C(F)(F)F)cc1Nc1ccc(CCN2CCOCC2)cc1 ZINC000436314506 851449210 /nfs/dbraw/zinc/44/92/10/851449210.db2.gz DBMGJJGMULJUFE-UHFFFAOYSA-N 0 1 396.369 3.627 20 5 GHBDMN O=[N+]([O-])c1ccc(O)cc1CSc1ncnc2c1cnn2-c1ccc(F)cc1 ZINC000436473122 851959633 /nfs/dbraw/zinc/95/96/33/851959633.db2.gz DPWLJQAINMGPSP-UHFFFAOYSA-N 0 1 397.391 3.861 20 5 GHBDMN CCN(C(=O)c1ccc([O-])c([N+](=O)[O-])c1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000436953402 852542342 /nfs/dbraw/zinc/54/23/42/852542342.db2.gz PAJPOCTUHKFYMW-QAPCUYQASA-N 0 1 383.448 3.598 20 5 GHBDMN O=[N+]([O-])c1cnn(CCN2CCC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)c1 ZINC000438554181 852568667 /nfs/dbraw/zinc/56/86/67/852568667.db2.gz UARBFZQYTUOTBI-AWEZNQCLSA-N 0 1 385.251 3.642 20 5 GHBDMN CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000506308987 852680537 /nfs/dbraw/zinc/68/05/37/852680537.db2.gz IRRCREQTNVCVIH-INIZCTEOSA-N 0 1 383.448 3.844 20 5 GHBDMN C[C@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)c1cc(Cl)ccc1Cl ZINC000426114043 852744995 /nfs/dbraw/zinc/74/49/95/852744995.db2.gz PNAZIVFEXXDTKW-FZMZJTMJSA-N 0 1 385.247 3.992 20 5 GHBDMN C[C@H](SCc1ccccc1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000490362786 852962469 /nfs/dbraw/zinc/96/24/69/852962469.db2.gz GNFABHVSJZVJLI-LBPRGKRZSA-N 0 1 383.433 3.640 20 5 GHBDMN Cc1[nH]c2ccc(C(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)n[nH]3)cc2c1C ZINC000490363128 852962565 /nfs/dbraw/zinc/96/25/65/852962565.db2.gz HTZIXTZJKVYTMT-UHFFFAOYSA-N 0 1 376.376 3.730 20 5 GHBDMN CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN(C)[C@@H]2CCCC[C@H]2O)cc1OC ZINC000426197552 852983244 /nfs/dbraw/zinc/98/32/44/852983244.db2.gz DCYKMXMHIMKNBB-QGPMSJSTSA-N 0 1 380.485 3.764 20 5 GHBDMN O=C(NC12CCC(C(F)(F)F)(CC1)CC2)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000509184303 862424822 /nfs/dbraw/zinc/42/48/22/862424822.db2.gz LCAMFLJSNDQSSO-UHFFFAOYSA-N 0 1 382.342 3.856 20 5 GHBDMN CCc1cc(C)cc(CC)c1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000481864404 862426853 /nfs/dbraw/zinc/42/68/53/862426853.db2.gz GHRJCUKYJALQEB-UHFFFAOYSA-N 0 1 378.450 3.837 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 ZINC000427473867 853138216 /nfs/dbraw/zinc/13/82/16/853138216.db2.gz YOALGEXFXJVNEH-KRWDZBQOSA-N 0 1 380.404 3.765 20 5 GHBDMN O=[N+]([O-])c1ccc(CN(C[C@H](O)COc2ccccc2Cl)C2CC2)cc1 ZINC000490828447 853280616 /nfs/dbraw/zinc/28/06/16/853280616.db2.gz QRLZZTJXQJSPTC-KRWDZBQOSA-N 0 1 376.840 3.653 20 5 GHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000517038071 853288113 /nfs/dbraw/zinc/28/81/13/853288113.db2.gz QQGDKRZLXZRLDG-KVSKMBFKSA-N 0 1 376.416 3.879 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@H](C)c1ccc(Cl)cc1 ZINC000032810714 853340532 /nfs/dbraw/zinc/34/05/32/853340532.db2.gz XZZANKWWJGFDGB-VXGBXAGGSA-N 0 1 377.828 3.935 20 5 GHBDMN C[C@H](CCc1ccccc1F)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000439186041 853386487 /nfs/dbraw/zinc/38/64/87/853386487.db2.gz FWELEHZSYCZGAH-GFCCVEGCSA-N 0 1 383.383 3.726 20 5 GHBDMN CCCN1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2Cl)CC1 ZINC000056325776 854660519 /nfs/dbraw/zinc/66/05/19/854660519.db2.gz XXHDSUMWEHAHRU-UHFFFAOYSA-N 0 1 392.843 3.626 20 5 GHBDMN CC(C)c1nc([C@@H]2CCCCN2C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)n[nH]1 ZINC000589248523 854759547 /nfs/dbraw/zinc/75/95/47/854759547.db2.gz MAJICVMQLUJMQQ-AWEZNQCLSA-N 0 1 376.392 3.735 20 5 GHBDMN COc1cc(F)c([N+](=O)[O-])c(NC2CCN(Cc3ccc(F)cc3)CC2)c1 ZINC000301461993 855085554 /nfs/dbraw/zinc/08/55/54/855085554.db2.gz ZYJUJKNJQTZWHE-UHFFFAOYSA-N 0 1 377.391 3.958 20 5 GHBDMN CN(C)Cc1cc(CNc2ncc([N+](=O)[O-])cc2Br)ccc1F ZINC000301512101 855189651 /nfs/dbraw/zinc/18/96/51/855189651.db2.gz DKECVDOGBMMAFC-UHFFFAOYSA-N 0 1 383.221 3.565 20 5 GHBDMN C[C@H](NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000543547005 862654432 /nfs/dbraw/zinc/65/44/32/862654432.db2.gz QZJWRHIKMWDPNS-WTOJCKNJSA-N 0 1 380.404 3.688 20 5 GHBDMN COC(=O)c1c(Cl)c(N[C@H]2CCN(C)[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000590583581 855499466 /nfs/dbraw/zinc/49/94/66/855499466.db2.gz ZGNJMPIMHPMVIJ-KSSFIOAISA-N 0 1 389.839 3.892 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N(C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC000273466125 855525191 /nfs/dbraw/zinc/52/51/91/855525191.db2.gz DTTYYUCBOBFGBM-HUUCEWRRSA-N 0 1 390.415 3.573 20 5 GHBDMN O=C(Nc1cnn(-c2ccncc2)c1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000590818589 855620197 /nfs/dbraw/zinc/62/01/97/855620197.db2.gz KRWXOBPQMCTUCD-INIZCTEOSA-N 0 1 392.419 3.587 20 5 GHBDMN O=C(Nc1cnn(-c2ccncc2)c1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000590818590 855620236 /nfs/dbraw/zinc/62/02/36/855620236.db2.gz KRWXOBPQMCTUCD-MRXNPFEDSA-N 0 1 392.419 3.587 20 5 GHBDMN O=C(Nc1nc(-c2cc3ccccc3o2)n[nH]1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000485119831 856118093 /nfs/dbraw/zinc/11/80/93/856118093.db2.gz GLXOCKPUEDZOBA-UHFFFAOYSA-N 0 1 388.343 3.860 20 5 GHBDMN COc1ccc(-c2n[nH]c(CNc3ccc4ncccc4c3[N+](=O)[O-])n2)cc1 ZINC000485146950 856145427 /nfs/dbraw/zinc/14/54/27/856145427.db2.gz QVYNLHSXVUDIHY-UHFFFAOYSA-N 0 1 376.376 3.549 20 5 GHBDMN COc1ccc(-c2nc(CNc3ccc4ncccc4c3[N+](=O)[O-])n[nH]2)cc1 ZINC000485146950 856145431 /nfs/dbraw/zinc/14/54/31/856145431.db2.gz QVYNLHSXVUDIHY-UHFFFAOYSA-N 0 1 376.376 3.549 20 5 GHBDMN C[C@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H](O)Cc1ccccc1 ZINC000123234285 856214144 /nfs/dbraw/zinc/21/41/44/856214144.db2.gz CGBATJXOPSMHNM-IFXJQAMLSA-N 0 1 383.473 3.800 20 5 GHBDMN O=C(NCCc1c(Cl)cccc1Cl)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000507837661 856512688 /nfs/dbraw/zinc/51/26/88/856512688.db2.gz TXSQILLSFATFET-UHFFFAOYSA-N 0 1 379.203 3.750 20 5 GHBDMN Cc1nc(C(C)C)sc1[C@H](C)N(C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248457197 856669072 /nfs/dbraw/zinc/66/90/72/856669072.db2.gz MELYQINZJFDECE-LSDHHAIUSA-N 0 1 393.509 3.916 20 5 GHBDMN O=[N+]([O-])c1ccc2[nH]c(CN(Cc3ccccc3)[C@@H](CO)C3CCC3)nc2c1 ZINC000592139521 856688658 /nfs/dbraw/zinc/68/86/58/856688658.db2.gz LARLGJZVTDOPBV-FQEVSTJZSA-N 0 1 380.448 3.634 20 5 GHBDMN COc1ccccc1C[C@H]1CCCN1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000058539911 857012672 /nfs/dbraw/zinc/01/26/72/857012672.db2.gz SUNKJIGTEWHMCY-LJQANCHMSA-N 0 1 393.447 3.527 20 5 GHBDMN CC(C)N(C(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000592695055 857027827 /nfs/dbraw/zinc/02/78/27/857027827.db2.gz UCBIIOFBWIBXGQ-OAQYLSRUSA-N 0 1 381.476 3.649 20 5 GHBDMN COc1ccc(C(=O)N(C(C)C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000592694965 857028226 /nfs/dbraw/zinc/02/82/26/857028226.db2.gz QHLFAMSVXPFLGW-LJQANCHMSA-N 0 1 397.475 3.729 20 5 GHBDMN C[C@H]1CC[C@H](C(N)=O)CN1Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000159633655 862864261 /nfs/dbraw/zinc/86/42/61/862864261.db2.gz WUSDNTRUYURQBQ-ZFWWWQNUSA-N 0 1 387.411 3.612 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2nc(CNCCN3CCc4ccccc43)cs2)c1 ZINC000733325675 862867509 /nfs/dbraw/zinc/86/75/09/862867509.db2.gz POKMNZFZSKSZJP-UHFFFAOYSA-N 0 1 380.473 3.871 20 5 GHBDMN CC1CCN([C@H](CNC(=O)c2ccc(F)cc2[N+](=O)[O-])c2cccs2)CC1 ZINC000159626688 862870172 /nfs/dbraw/zinc/87/01/72/862870172.db2.gz VGJMEQPENIQAIG-QGZVFWFLSA-N 0 1 391.468 3.998 20 5 GHBDMN CN1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245736829 857155206 /nfs/dbraw/zinc/15/52/06/857155206.db2.gz UXKNCQBPWWUPRP-RDTXWAMCSA-N 0 1 391.830 3.810 20 5 GHBDMN O=[N+]([O-])c1c(Nc2cnn(-c3ncc(Cl)cc3Cl)c2)nc2sccn21 ZINC000301706309 857256283 /nfs/dbraw/zinc/25/62/83/857256283.db2.gz SGMXFBNLTJAEOG-UHFFFAOYSA-N 0 1 396.219 3.935 20 5 GHBDMN COc1cc(CN2CCC(Cc3nc([C@H]4C[C@@H]4C)no3)CC2)ccc1[N+](=O)[O-] ZINC000593076516 857338030 /nfs/dbraw/zinc/33/80/30/857338030.db2.gz KHNVCWSDMRQBJU-BBRMVZONSA-N 0 1 386.452 3.565 20 5 GHBDMN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCCN(Cc2ccccc2)CC1 ZINC000043342552 857372069 /nfs/dbraw/zinc/37/20/69/857372069.db2.gz QZIBDUSAJZJBCA-UHFFFAOYSA-N 0 1 388.855 3.988 20 5 GHBDMN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(F)c(-c2nc[nH]n2)c1 ZINC001128589578 862905176 /nfs/dbraw/zinc/90/51/76/862905176.db2.gz OCPCVMCLQNXTNO-CYBMUJFWSA-N 0 1 383.383 3.726 20 5 GHBDMN C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C2CC2)o1 ZINC000027281849 857755942 /nfs/dbraw/zinc/75/59/42/857755942.db2.gz DFYPOFAMUYWDFS-ABAIWWIYSA-N 0 1 380.404 3.992 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCc1cccc(CN2CCO[C@@H](C)C2)c1 ZINC000595018570 858352061 /nfs/dbraw/zinc/35/20/61/858352061.db2.gz RYRGYEURHFFJPL-IRXDYDNUSA-N 0 1 399.491 3.675 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H](Cc1ccccc1)[C@H](O)C(F)(F)F ZINC000595024057 858354966 /nfs/dbraw/zinc/35/49/66/858354966.db2.gz VFXCNBOAXDOIRS-IWEFOYFVSA-N 0 1 398.381 3.789 20 5 GHBDMN O=C([O-])[C@H]1C[C@H](C2CCCCC2)C[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000595279962 858459344 /nfs/dbraw/zinc/45/93/44/858459344.db2.gz MDLZUFLKJOZQCM-QFBILLFUSA-N 0 1 376.453 3.719 20 5 GHBDMN O=c1[nH]ccc(NC2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c1[N+](=O)[O-] ZINC000596085936 858778437 /nfs/dbraw/zinc/77/84/37/858778437.db2.gz PMVDXGJCGGSEJS-UHFFFAOYSA-N 0 1 396.369 3.791 20 5 GHBDMN COc1ccc(C[C@@H](C)NCc2ccn(Cc3ccccc3)n2)c([N+](=O)[O-])c1 ZINC001170319655 881351745 /nfs/dbraw/zinc/35/17/45/881351745.db2.gz XYIQYGBUEAWLEV-MRXNPFEDSA-N 0 1 380.448 3.569 20 5 GHBDMN Cc1nc(C(C)C)sc1[C@H](C)N(C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000121107204 858865119 /nfs/dbraw/zinc/86/51/19/858865119.db2.gz KPFHCPJUYIVZIH-HOCLYGCPSA-N 0 1 393.509 3.916 20 5 GHBDMN CN(C)C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1F)c1cccc(C(F)(F)F)c1 ZINC001170319894 881353757 /nfs/dbraw/zinc/35/37/57/881353757.db2.gz DKBODBQKSNCYDV-INIZCTEOSA-N 0 1 399.344 3.785 20 5 GHBDMN COc1cc(CNCc2cccc([N+](=O)[O-])c2C)cc(Br)c1O ZINC000323372753 859034076 /nfs/dbraw/zinc/03/40/76/859034076.db2.gz NMFYZGWDDOKQEP-UHFFFAOYSA-N 0 1 381.226 3.670 20 5 GHBDMN CC1CCC(N2CCN(C(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)CC2)CC1 ZINC000522346615 859125026 /nfs/dbraw/zinc/12/50/26/859125026.db2.gz XRDNKKBAGBWCKV-UHFFFAOYSA-N 0 1 386.496 3.506 20 5 GHBDMN COc1cccc(CNCc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])c1C ZINC000597240457 859371642 /nfs/dbraw/zinc/37/16/42/859371642.db2.gz XKKXVUSIRMBFLV-UHFFFAOYSA-N 0 1 396.390 3.854 20 5 GHBDMN CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2ncc(C(F)(F)F)[nH]2)CC1 ZINC000764392769 859423448 /nfs/dbraw/zinc/42/34/48/859423448.db2.gz FGEGVNWWZJHHOK-UHFFFAOYSA-N 0 1 397.357 3.825 20 5 GHBDMN COc1cc(CN2CCC3(CC2)OCc2ccccc23)c([N+](=O)[O-])cc1OC ZINC000611274691 859678120 /nfs/dbraw/zinc/67/81/20/859678120.db2.gz HHWUVXZPPISWKI-UHFFFAOYSA-N 0 1 384.432 3.634 20 5 GHBDMN COC(=O)/C(=C/c1cc(OC)c(O)c([N+](=O)[O-])c1)c1nc(C(C)(C)C)cs1 ZINC000764982850 859725533 /nfs/dbraw/zinc/72/55/33/859725533.db2.gz AQYXNXOWOPXVQK-IZZDOVSWSA-N 0 1 392.433 3.777 20 5 GHBDMN COC(=O)[C@@H](C)CN(Cc1ccccc1)Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000765005440 859732914 /nfs/dbraw/zinc/73/29/14/859732914.db2.gz CPEIYXRAWFIDEU-HNNXBMFYSA-N 0 1 396.447 3.522 20 5 GHBDMN Cc1ccc(NC(=O)NC(=O)CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1C ZINC000611404518 859738443 /nfs/dbraw/zinc/73/84/43/859738443.db2.gz RTKCMMKASUFSJD-OAHLLOKOSA-N 0 1 384.436 3.519 20 5 GHBDMN O=C(c1csc([N+](=O)[O-])c1)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000611488371 859783262 /nfs/dbraw/zinc/78/32/62/859783262.db2.gz YDSPZRYGCOTEBY-CYBMUJFWSA-N 0 1 389.481 3.842 20 5 GHBDMN CCN(CC)[C@H](C(=O)Nc1cc(C)nc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC001127864024 859981338 /nfs/dbraw/zinc/98/13/38/859981338.db2.gz GYXXNNZUENYTPL-NRFANRHFSA-N 0 1 392.459 3.895 20 5 GHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)s1 ZINC000123721410 860053348 /nfs/dbraw/zinc/05/33/48/860053348.db2.gz HDUNNAFUJOUJKX-SNVBAGLBSA-N 0 1 398.359 3.767 20 5 GHBDMN O=C(Nc1cc(F)cc(Cl)c1O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000474428933 860070442 /nfs/dbraw/zinc/07/04/42/860070442.db2.gz UQBKKDCEGFNRFI-UHFFFAOYSA-N 0 1 376.731 3.531 20 5 GHBDMN COc1ccc([C@H]2CC[N@@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C2)cc1 ZINC000155221495 860446093 /nfs/dbraw/zinc/44/60/93/860446093.db2.gz HBFWCJMCUXASNP-INIZCTEOSA-N 0 1 380.404 3.643 20 5 GHBDMN COc1ccc([C@H]2CCN(Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C2)cc1 ZINC000155221495 860446098 /nfs/dbraw/zinc/44/60/98/860446098.db2.gz HBFWCJMCUXASNP-INIZCTEOSA-N 0 1 380.404 3.643 20 5 GHBDMN CCCOc1ccc([C@H](C)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000542665063 860476403 /nfs/dbraw/zinc/47/64/03/860476403.db2.gz BLCRHNAHFXEVAR-HNNXBMFYSA-N 0 1 392.477 3.508 20 5 GHBDMN COc1ccc([C@@H](CNC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)N2CCCC2)cc1 ZINC000555715039 860889899 /nfs/dbraw/zinc/88/98/99/860889899.db2.gz LULSQLKQRQUIGF-HRAATJIYSA-N 0 1 397.475 3.660 20 5 GHBDMN C[C@@H]1C[C@@H]1c1ccc(CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C2CC2)o1 ZINC000603603849 860891879 /nfs/dbraw/zinc/89/18/79/860891879.db2.gz XQFRAYFBADYYPR-ZTQAJYAQSA-N 0 1 386.448 3.716 20 5 GHBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)c1 ZINC000593738864 861119680 /nfs/dbraw/zinc/11/96/80/861119680.db2.gz MGZKECPDCUSWQU-OAHLLOKOSA-N 0 1 386.379 3.527 20 5 GHBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)c1 ZINC000593738864 861119688 /nfs/dbraw/zinc/11/96/88/861119688.db2.gz MGZKECPDCUSWQU-OAHLLOKOSA-N 0 1 386.379 3.527 20 5 GHBDMN C[N@@H+](CCCOc1cccc(Cl)c1)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593740397 861151300 /nfs/dbraw/zinc/15/13/00/861151300.db2.gz LPPBEZTUJGYDTD-UHFFFAOYSA-N 0 1 378.812 3.847 20 5 GHBDMN COc1ccc(C2(NCc3ccc(OC)c([N+](=O)[O-])c3)CCOCC2)cc1F ZINC000444011174 863146972 /nfs/dbraw/zinc/14/69/72/863146972.db2.gz RLXVMXCJNKHOOM-UHFFFAOYSA-N 0 1 390.411 3.547 20 5 GHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC000159961257 863201869 /nfs/dbraw/zinc/20/18/69/863201869.db2.gz XAGAXYMBGXXGIS-DYVFJYSZSA-N 0 1 398.419 3.573 20 5 GHBDMN CC(C)(C)OC(=O)NC[C@@H](NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)(C)C ZINC000792880474 881767389 /nfs/dbraw/zinc/76/73/89/881767389.db2.gz FHOGSHBDUBRHMV-OAHLLOKOSA-N 0 1 396.444 3.532 20 5 GHBDMN Cc1ccc([C@@H](CN2CCOCC2)N[C@@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000480468407 864685215 /nfs/dbraw/zinc/68/52/15/864685215.db2.gz JIWWGMPOXAMLGY-GHTZIAJQSA-N 0 1 383.492 3.936 20 5 GHBDMN O=C(NCCN1CCCCC1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000480586303 864918179 /nfs/dbraw/zinc/91/81/79/864918179.db2.gz SQWJZPXLAMZQRW-UHFFFAOYSA-N 0 1 385.489 3.962 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2ncn(CN3CC[C@@H](Cc4ccc(F)cc4)C3)n2)c1 ZINC000736590619 865244737 /nfs/dbraw/zinc/24/47/37/865244737.db2.gz YVYXWZXYXMSNOG-INIZCTEOSA-N 0 1 381.411 3.515 20 5 GHBDMN CCOc1ccc2nc(SCC(=O)N3CCc4cc([N+](=O)[O-])ccc43)[nH]c2c1 ZINC000016725582 866852157 /nfs/dbraw/zinc/85/21/57/866852157.db2.gz RSOSYJVTBGVPFS-UHFFFAOYSA-N 0 1 398.444 3.551 20 5 GHBDMN C[C@H](c1ccccc1Br)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440487630 866933118 /nfs/dbraw/zinc/93/31/18/866933118.db2.gz LKLHDTWJSDACEI-OLZOCXBDSA-N 0 1 391.269 4.000 20 5 GHBDMN CC(C)(C)c1ccc(C(=O)NC[C@H](c2nc[nH]n2)c2ccccc2)cc1[N+](=O)[O-] ZINC000456708145 867048564 /nfs/dbraw/zinc/04/85/64/867048564.db2.gz VOBJEUZPWASTDI-INIZCTEOSA-N 0 1 393.447 3.572 20 5 GHBDMN O=[N+]([O-])c1ccc2[nH]c(CN[C@H]3CCO[C@H]3c3ccc(Cl)c(F)c3)nc2c1 ZINC000444712381 867105357 /nfs/dbraw/zinc/10/53/57/867105357.db2.gz ZBZNQJUJHAUNDP-YJBOKZPZSA-N 0 1 390.802 3.883 20 5 GHBDMN Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)cc1F ZINC000742231550 867146785 /nfs/dbraw/zinc/14/67/85/867146785.db2.gz KJHYXIMAPOLUJK-UHFFFAOYSA-N 0 1 389.202 3.606 20 5 GHBDMN Cc1ccc(-c2n[nH]c(NC(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)n2)o1 ZINC000444742534 867165679 /nfs/dbraw/zinc/16/56/79/867165679.db2.gz IYADEHYJOUNUGV-UHFFFAOYSA-N 0 1 385.383 3.620 20 5 GHBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1cccc(OC(F)(F)F)c1 ZINC000479354894 867601751 /nfs/dbraw/zinc/60/17/51/867601751.db2.gz CECBCJMYQUEEQS-UHFFFAOYSA-N 0 1 393.281 3.531 20 5 GHBDMN CCc1ccc(C(=O)N(C)C2CCN(CCC(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000457087631 867639711 /nfs/dbraw/zinc/63/97/11/867639711.db2.gz QJXRHSUTMFIVSI-UHFFFAOYSA-N 0 1 387.402 3.646 20 5 GHBDMN Cn1c(C(=O)N2CCCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000457376285 868191375 /nfs/dbraw/zinc/19/13/75/868191375.db2.gz SGCFJDKOQYBKHS-CQSZACIVSA-N 0 1 387.827 3.830 20 5 GHBDMN COc1ccc(-c2ccc(CNCc3ccc(CO)c(F)c3)o2)c([N+](=O)[O-])c1 ZINC000535237670 868412546 /nfs/dbraw/zinc/41/25/46/868412546.db2.gz WCSMYQNUAJWJOY-UHFFFAOYSA-N 0 1 386.379 3.785 20 5 GHBDMN C[C@H](CN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H](C)CO)c1ccccc1 ZINC000553936479 868465658 /nfs/dbraw/zinc/46/56/58/868465658.db2.gz VEVXJBURNGNUQK-CVEARBPZSA-N 0 1 396.447 3.631 20 5 GHBDMN COc1cc(C(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)cc([N+](=O)[O-])c1C ZINC000479886096 868681199 /nfs/dbraw/zinc/68/11/99/868681199.db2.gz KZBYMRZFRFAYPW-LJQANCHMSA-N 0 1 397.475 3.648 20 5 GHBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C[C@@H]1CCCO1)[C@H]1CCSC1 ZINC000535549670 868959685 /nfs/dbraw/zinc/95/96/85/868959685.db2.gz FORYLXFOGRHRTG-ROUUACIJSA-N 0 1 380.510 3.869 20 5 GHBDMN COc1ccc(CN(Cc2cc([N+](=O)[O-])ccc2OC)[C@H](CO)C(C)C)cc1 ZINC000491261553 869274103 /nfs/dbraw/zinc/27/41/03/869274103.db2.gz UNUYWBIHPQXIRA-HXUWFJFHSA-N 0 1 388.464 3.631 20 5 GHBDMN O=C(N[C@H]1CCCN(CCc2ccc([N+](=O)[O-])cc2)C1)c1cc2ccccc2o1 ZINC000440935966 869318395 /nfs/dbraw/zinc/31/83/95/869318395.db2.gz LROWYJYMUFLWJV-SFHVURJKSA-N 0 1 393.443 3.778 20 5 GHBDMN C[C@@H](N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000539678514 869602190 /nfs/dbraw/zinc/60/21/90/869602190.db2.gz LHKOXOXDSLTKNL-PIGZYNQJSA-N 0 1 377.803 3.843 20 5 GHBDMN COc1cc(C)c(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1OC ZINC000539836002 869876991 /nfs/dbraw/zinc/87/69/91/869876991.db2.gz SQUPBHJGKGMIAT-UHFFFAOYSA-N 0 1 386.448 3.964 20 5 GHBDMN C[C@H](OC(=O)c1ccc(O)c(Cl)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000746074738 869988936 /nfs/dbraw/zinc/98/89/36/869988936.db2.gz MPMISRSATWSCDT-VIFPVBQESA-N 0 1 389.751 3.922 20 5 GHBDMN O=C(c1cc(-c2ccccc2Cl)[nH]n1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446587507 870065508 /nfs/dbraw/zinc/06/55/08/870065508.db2.gz UBYOKSASHOSATP-UHFFFAOYSA-N 0 1 382.807 3.837 20 5 GHBDMN CCOc1ccc([C@@H](C)N[C@H]2CC(=O)N(c3ccccc3F)C2)cc1[N+](=O)[O-] ZINC000462943960 870475617 /nfs/dbraw/zinc/47/56/17/870475617.db2.gz OHTPFECXDPKJPY-HIFRSBDPSA-N 0 1 387.411 3.589 20 5 GHBDMN O=C(Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1)c1ccc([N+](=O)[O-])[nH]1 ZINC000538790968 870658495 /nfs/dbraw/zinc/65/84/95/870658495.db2.gz ZYLMJVFZCPKSGP-UHFFFAOYSA-N 0 1 389.240 3.706 20 5 GHBDMN CCCc1[nH]nc(C(=O)N2CCC(c3c[nH]c4ccccc43)CC2)c1[N+](=O)[O-] ZINC000069386951 870759607 /nfs/dbraw/zinc/75/96/07/870759607.db2.gz OTLPOFNGTHZHMS-UHFFFAOYSA-N 0 1 381.436 3.772 20 5 GHBDMN CC[C@H](C)[C@H](NS(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000525697877 871228124 /nfs/dbraw/zinc/22/81/24/871228124.db2.gz GADYZJJDVPNKJP-NHYWBVRUSA-N 0 1 383.857 3.709 20 5 GHBDMN CCOc1cc(N2CCN(Cc3cc(C)sc3C)CC2)ccc1[N+](=O)[O-] ZINC001193989732 871421059 /nfs/dbraw/zinc/42/10/59/871421059.db2.gz KBBUZRXPLGAQSH-UHFFFAOYSA-N 0 1 375.494 3.994 20 5 GHBDMN COc1ccc(Cl)cc1CNC(=O)CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181819638 871505194 /nfs/dbraw/zinc/50/51/94/871505194.db2.gz REOFGPMZPIPQTP-ZDUSSCGKSA-N 0 1 391.855 3.532 20 5 GHBDMN O=C(NCc1ccc(Oc2ccccc2)nc1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000195468564 882525192 /nfs/dbraw/zinc/52/51/92/882525192.db2.gz DBSZCXWSHRRIQF-UHFFFAOYSA-N 0 1 389.371 3.588 20 5 GHBDMN Cc1ccc([C@@H](C)NCC(=O)NCCc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000181835224 871536703 /nfs/dbraw/zinc/53/67/03/871536703.db2.gz LSMWRPNTKQODDL-CQSZACIVSA-N 0 1 375.856 3.566 20 5 GHBDMN COCC1(NCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC1 ZINC000540622394 871692757 /nfs/dbraw/zinc/69/27/57/871692757.db2.gz HYCGOHCKCXRBLT-UHFFFAOYSA-N 0 1 381.226 3.886 20 5 GHBDMN Cc1ccc(S(=O)(=O)C[C@H](C)N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000447597558 871910161 /nfs/dbraw/zinc/91/01/61/871910161.db2.gz FRMIYCSIIALVCX-MGPUTAFESA-N 0 1 388.489 3.733 20 5 GHBDMN CN(C)[C@H]1CCOc2c(NC(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)cccc21 ZINC000447728664 872170676 /nfs/dbraw/zinc/17/06/76/872170676.db2.gz MCQWIVMTVYEGDE-SFHVURJKSA-N 0 1 380.404 3.714 20 5 GHBDMN CC(C)C[C@](C)(NC(=O)c1n[nH]cc1[N+](=O)[O-])c1cccc(Br)c1 ZINC000477983619 872277897 /nfs/dbraw/zinc/27/78/97/872277897.db2.gz JVKZZPOLPKIJMR-INIZCTEOSA-N 0 1 395.257 3.772 20 5 GHBDMN CC(C)Oc1ccc([C@@H](C)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000182396839 872284337 /nfs/dbraw/zinc/28/43/37/872284337.db2.gz DQXHBDAQLMZJEZ-OAHLLOKOSA-N 0 1 392.477 3.507 20 5 GHBDMN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1Sc1nc(-c2ccccc2)n[nH]1 ZINC000447814860 872346898 /nfs/dbraw/zinc/34/68/98/872346898.db2.gz AIDYXDNKNKCOPW-UHFFFAOYSA-N 0 1 390.808 3.971 20 5 GHBDMN Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000475713929 882611248 /nfs/dbraw/zinc/61/12/48/882611248.db2.gz KYTQXTMZRIKJBK-AWEZNQCLSA-N 0 1 397.431 3.876 20 5 GHBDMN O=[N+]([O-])c1cc(-c2nc(-c3ccn4cncc4c3)no2)ccc1N1CCCC1 ZINC000447951708 872568703 /nfs/dbraw/zinc/56/87/03/872568703.db2.gz NNVBSPLJMGQWBD-UHFFFAOYSA-N 0 1 376.376 3.560 20 5 GHBDMN C[C@@H](N[C@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1)c1ccccc1[N+](=O)[O-] ZINC001195937433 872738285 /nfs/dbraw/zinc/73/82/85/872738285.db2.gz CLBYPOGNTITPNS-OCCSQVGLSA-N 0 1 393.365 3.766 20 5 GHBDMN COc1cccc([C@@H]2CCN(CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)C2(C)C)c1 ZINC001197423292 873804136 /nfs/dbraw/zinc/80/41/36/873804136.db2.gz VDDZPJLMNGDXOM-FQEVSTJZSA-N 0 1 397.475 3.834 20 5 GHBDMN CC(C)c1ccc(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1[N+](=O)[O-] ZINC000769462023 874085923 /nfs/dbraw/zinc/08/59/23/874085923.db2.gz FMPYUEPJRMUWEM-HNNXBMFYSA-N 0 1 385.424 3.708 20 5 GHBDMN Cc1cc(Cl)c([N+](=O)[O-])cc1NS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000769629754 874176749 /nfs/dbraw/zinc/17/67/49/874176749.db2.gz DYYVYDBYNCLCDV-UHFFFAOYSA-N 0 1 399.812 3.882 20 5 GHBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1ccc(OC2CCCC2)cc1 ZINC000609135828 874239674 /nfs/dbraw/zinc/23/96/74/874239674.db2.gz VUNKUDUFGXTSDT-UHFFFAOYSA-N 0 1 393.403 3.954 20 5 GHBDMN COc1ccc([C@@H](C)NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1C ZINC001198260354 874292262 /nfs/dbraw/zinc/29/22/62/874292262.db2.gz ISFFUEFYBAYQGG-GFCCVEGCSA-N 0 1 377.828 3.855 20 5 GHBDMN COc1ccc2c(c1)C[C@@H](C)N(C(=O)c1[nH]nc3ccc([N+](=O)[O-])cc31)[C@H]2C ZINC000541953193 874627412 /nfs/dbraw/zinc/62/74/12/874627412.db2.gz BYNLLIVNQBQOEH-NEPJUHHUSA-N 0 1 380.404 3.628 20 5 GHBDMN C[C@H](NCc1cc(Br)c2c(c1)OCCO2)c1ccc([N+](=O)[O-])cc1 ZINC000449347212 874741207 /nfs/dbraw/zinc/74/12/07/874741207.db2.gz GUNCSBVMCVTRIB-NSHDSACASA-N 0 1 393.237 3.979 20 5 GHBDMN O=C(Nc1cccc(-c2cn[nH]n2)c1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000443670270 874771200 /nfs/dbraw/zinc/77/12/00/874771200.db2.gz SNVHTRZUCUEJHZ-UHFFFAOYSA-N 0 1 377.282 3.651 20 5 GHBDMN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1cccc(C(F)(F)F)n1 ZINC000449402197 874818439 /nfs/dbraw/zinc/81/84/39/874818439.db2.gz PWWBCPHAHOTVSN-LLVKDONJSA-N 0 1 382.342 3.516 20 5 GHBDMN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN[C@H](CC(F)(F)F)c1ccccc1 ZINC000542254683 875257757 /nfs/dbraw/zinc/25/77/57/875257757.db2.gz SYRGZDQVKQHMQK-LSDHHAIUSA-N 0 1 384.354 3.618 20 5 GHBDMN Cn1cc(CN2CC3(CCCC3)OC(C)(C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000443788094 875774998 /nfs/dbraw/zinc/77/49/98/875774998.db2.gz KLGOLUDIDUIMLD-UHFFFAOYSA-N 0 1 384.480 3.919 20 5 GHBDMN O=C(Cc1cccc([N+](=O)[O-])c1)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000460804448 876313251 /nfs/dbraw/zinc/31/32/51/876313251.db2.gz NQLRWVIGXOVBAG-UHFFFAOYSA-N 0 1 389.455 3.635 20 5 GHBDMN COc1ccc(NC(=O)[C@@H](C)N[C@@H](C)c2cc(C)ccc2OC)c([N+](=O)[O-])c1 ZINC000152030660 876547230 /nfs/dbraw/zinc/54/72/30/876547230.db2.gz SVBMDABOVZEWIC-UONOGXRCSA-N 0 1 387.436 3.598 20 5 GHBDMN C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000451013820 877234045 /nfs/dbraw/zinc/23/40/45/877234045.db2.gz KFFHNOXZPOKJOG-ZWNOBZJWSA-N 0 1 382.342 3.788 20 5 GHBDMN CCc1c(NC(=O)c2ccc(SC)c([N+](=O)[O-])c2)[nH]nc1-c1ccncc1 ZINC000170851503 877318807 /nfs/dbraw/zinc/31/88/07/877318807.db2.gz GLKXWRWVTIGCLG-UHFFFAOYSA-N 0 1 383.433 3.917 20 5 GHBDMN CCOc1cc(CN[C@@H](C)c2cccc(N3CCCC3=O)c2)ccc1[N+](=O)[O-] ZINC000492764160 877497921 /nfs/dbraw/zinc/49/79/21/877497921.db2.gz BGVKYJZRAICFGQ-HNNXBMFYSA-N 0 1 383.448 3.971 20 5 GHBDMN Cc1c(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)[nH]nc1-c1ccccc1 ZINC000493036510 878091686 /nfs/dbraw/zinc/09/16/86/878091686.db2.gz WAZLRUSFJCBSLU-UHFFFAOYSA-N 0 1 386.433 3.711 20 5 GHBDMN CC(C)(C)N1CC[C@H](NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 ZINC000617344251 879612519 /nfs/dbraw/zinc/61/25/19/879612519.db2.gz DWYFPOFGACEYTO-AWEZNQCLSA-N 0 1 399.441 3.562 20 5 GHBDMN CCn1nc(C)c(NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)c1C ZINC000791433485 880401657 /nfs/dbraw/zinc/40/16/57/880401657.db2.gz WSKASFLZBUBPKK-UHFFFAOYSA-N 0 1 393.252 3.536 20 5 GHBDMN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000919965553 881297292 /nfs/dbraw/zinc/29/72/92/881297292.db2.gz KNWXGTQVMCXCPV-IBGZPJMESA-N 0 1 387.867 3.871 20 5 GHBDMN O=C(NC1CCN(Cc2ccncc2)CC1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000858608285 883228802 /nfs/dbraw/zinc/22/88/02/883228802.db2.gz NMJOVRJQWDWSHR-UHFFFAOYSA-N 0 1 390.443 3.537 20 5 GHBDMN CCOC(=O)c1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)ccc1Cl ZINC000609661499 883500681 /nfs/dbraw/zinc/50/06/81/883500681.db2.gz OUGGNMVVZOOLOO-UHFFFAOYSA-N 0 1 398.824 3.534 20 5 GHBDMN O=[N+]([O-])c1ccc(Cl)c(CNS(=O)(=O)c2c(Cl)ccc(F)c2F)c1 ZINC000805033629 883574537 /nfs/dbraw/zinc/57/45/37/883574537.db2.gz NSTASLYWKUZIGQ-UHFFFAOYSA-N 0 1 397.186 3.658 20 5 GHBDMN CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000609891297 883799584 /nfs/dbraw/zinc/79/95/84/883799584.db2.gz XBULEUWPPAAZMC-BMLIUANNSA-N 0 1 388.811 3.631 20 5 GHBDMN CCOc1ccc2c(c1)c(=N)c1ccc(N)cc1n2C(=O)[C@@H]1C[C@@]12CCCOC2 ZINC001183722949 912757067 /nfs/dbraw/zinc/75/70/67/912757067.db2.gz GPNGXCIJVMCYBD-FDDCHVKYSA-N 0 1 391.471 3.712 20 5 GHBDMN COc1cc(OCC(=O)Nc2ccc3nc(C(C)(C)C)[nH]c3c2)ccc1[N+](=O)[O-] ZINC000476164469 884175812 /nfs/dbraw/zinc/17/58/12/884175812.db2.gz PPSCNQXNEZBAEI-UHFFFAOYSA-N 0 1 398.419 3.795 20 5 GHBDMN C[C@@H]1[C@@H](C)N(Cc2ccccc2)[C@@H](C)CN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC001130668302 884807056 /nfs/dbraw/zinc/80/70/56/884807056.db2.gz HDZMFSDBNPIWSW-RCCFBDPRSA-N 0 1 381.476 3.647 20 5 GHBDMN CCOc1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c(C(F)(F)F)c1 ZINC000194939060 885846470 /nfs/dbraw/zinc/84/64/70/885846470.db2.gz NTZKDJYLIJZKML-UHFFFAOYSA-N 0 1 390.339 3.813 20 5 GHBDMN CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000808427615 886314923 /nfs/dbraw/zinc/31/49/23/886314923.db2.gz YQGCIEVKBUXAOO-MRXNPFEDSA-N 0 1 384.354 3.836 20 5 GHBDMN CCOc1ccc2c(c1)c(=N)c1ccc(N)cc1n2C(=O)[C@@H]1CCCC[C@H]1CO ZINC001184162818 913057206 /nfs/dbraw/zinc/05/72/06/913057206.db2.gz JTZWPZVXEHXAKG-WMLDXEAASA-N 0 1 393.487 3.694 20 5 GHBDMN O=C(CN(C1CC1)[C@H]1CCc2ccccc21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000532657251 887141979 /nfs/dbraw/zinc/14/19/79/887141979.db2.gz MTWLZHKUTXPYHP-FQEVSTJZSA-N 0 1 377.444 3.636 20 5 GHBDMN C[C@H](NCc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000809626516 887624605 /nfs/dbraw/zinc/62/46/05/887624605.db2.gz KSXYZOQQOUPDMG-YWZLYKJASA-N 0 1 389.883 3.627 20 5 GHBDMN COC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000809697287 887676235 /nfs/dbraw/zinc/67/62/35/887676235.db2.gz YTLSSKGSKGUWQO-KRWDZBQOSA-N 0 1 398.337 3.782 20 5 GHBDMN O=[N+]([O-])c1ccc(CN2CC[C@@](CO)(Cc3ccc(F)cc3)C2)cc1Cl ZINC000809791454 887844343 /nfs/dbraw/zinc/84/43/43/887844343.db2.gz ZGUCJNZUDFRUGP-LJQANCHMSA-N 0 1 378.831 3.814 20 5 GHBDMN O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccc2nc(-c3ccccc3Cl)[nH]c2c1 ZINC000194261046 888172714 /nfs/dbraw/zinc/17/27/14/888172714.db2.gz WMAGCDYQLVTUCB-UHFFFAOYSA-N 0 1 396.794 3.627 20 5 GHBDMN O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc2nc(-c3ccco3)[nH]c2c1 ZINC000054626930 888403617 /nfs/dbraw/zinc/40/36/17/888403617.db2.gz ZGYMLBDCRKJPJR-UHFFFAOYSA-N 0 1 378.344 3.749 20 5 GHBDMN NC(=O)c1ccc(CN2CCC(c3c[nH]c4cc(F)ccc43)CC2)c([N+](=O)[O-])c1 ZINC000532964469 889394589 /nfs/dbraw/zinc/39/45/89/889394589.db2.gz VPVOEWLSENSZNS-UHFFFAOYSA-N 0 1 396.422 3.694 20 5 GHBDMN CCO[C@@H]1C[C@H](NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])[C@@]12CCCO2 ZINC000811490081 889640360 /nfs/dbraw/zinc/64/03/60/889640360.db2.gz LYHDHLQAUNYHRI-LZWOXQAQSA-N 0 1 375.252 3.718 20 5 GHBDMN CCN(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@H](C)Cc1ccc(OC)cc1 ZINC000533281900 890178034 /nfs/dbraw/zinc/17/80/34/890178034.db2.gz XMNLFDSYRBGEIM-MRXNPFEDSA-N 0 1 385.464 3.803 20 5 GHBDMN Cc1c(CC(=O)NC[C@H](c2ccc(Cl)cc2)N(C)C)cccc1[N+](=O)[O-] ZINC000533497493 890740857 /nfs/dbraw/zinc/74/08/57/890740857.db2.gz NPQDWXBZAZDXDX-GOSISDBHSA-N 0 1 375.856 3.518 20 5 GHBDMN O=[N+]([O-])c1ccc(CN2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)c(F)c1 ZINC000497431941 891566871 /nfs/dbraw/zinc/56/68/71/891566871.db2.gz GXTBKKOXADRAQH-FOIQADDNSA-N 0 1 386.427 3.623 20 5 GHBDMN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2c(F)cccc2NC(C)C)cc1C ZINC000498030993 893007200 /nfs/dbraw/zinc/00/72/00/893007200.db2.gz KAVBAMUJVKCWEP-UHFFFAOYSA-N 0 1 381.429 3.972 20 5 GHBDMN Cc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)c1C ZINC000918143300 893219399 /nfs/dbraw/zinc/21/93/99/893219399.db2.gz STFNFGQVUJOEKE-UHFFFAOYSA-N 0 1 385.239 3.775 20 5 GHBDMN CC(C)c1ccc(CN2CCC(C(=O)NCC(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000536646143 893339654 /nfs/dbraw/zinc/33/96/54/893339654.db2.gz WOOQRBDGWMYSNT-UHFFFAOYSA-N 0 1 387.402 3.609 20 5 GHBDMN O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1N[C@H](CO)c1c(F)cccc1F ZINC000536867456 893966867 /nfs/dbraw/zinc/96/68/67/893966867.db2.gz BWWQONPWIXUMHK-DOPJRALCSA-N 0 1 376.403 3.907 20 5 GHBDMN CO[C@]1(C)CCCN(Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CC1 ZINC000878540073 894371238 /nfs/dbraw/zinc/37/12/38/894371238.db2.gz FLZWFQBTTVQUII-QGZVFWFLSA-N 0 1 380.832 3.689 20 5 GHBDMN COc1ccc(NC(=O)CN[C@@H](c2ccc(F)c(C)c2)C2CC2)c([N+](=O)[O-])c1 ZINC000537224621 894599406 /nfs/dbraw/zinc/59/94/06/894599406.db2.gz NBMXYIXGWPOLAJ-HXUWFJFHSA-N 0 1 387.411 3.730 20 5 GHBDMN CN(C)[C@@H]1CCOc2c(NC(=O)[C@H]3C[C@@H]3c3cccc([N+](=O)[O-])c3)cccc21 ZINC000935718682 894754210 /nfs/dbraw/zinc/75/42/10/894754210.db2.gz WOKJDDDTNHUVDP-ZIFCJYIRSA-N 0 1 381.432 3.722 20 5 GHBDMN O=[N+]([O-])c1ccc(NCC2(CN3CCOCC3)CCCCC2)c2ccncc21 ZINC001185676596 914036927 /nfs/dbraw/zinc/03/69/27/914036927.db2.gz HYEKJAXMHMATBC-UHFFFAOYSA-N 0 1 384.480 3.838 20 5 GHBDMN Cc1ccccc1CN1CCCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC001136192741 896399058 /nfs/dbraw/zinc/39/90/58/896399058.db2.gz PUYCMXGWNGUWME-UHFFFAOYSA-N 0 1 387.867 3.905 20 5 GHBDMN C[C@H](C(=O)Nc1nc2c(s1)CN(C(C)(C)C)CC2)c1cccc([N+](=O)[O-])c1 ZINC000566851313 896634630 /nfs/dbraw/zinc/63/46/30/896634630.db2.gz BBDPQGCTLSSYGC-LBPRGKRZSA-N 0 1 388.493 3.950 20 5 GHBDMN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCc2nc(C3CCCCC3)[nH]c2C1 ZINC000819546161 896798679 /nfs/dbraw/zinc/79/86/79/896798679.db2.gz JVWOPUCNDGUNDY-HNNXBMFYSA-N 0 1 382.464 3.961 20 5 GHBDMN COC(=O)/C=C/c1ccc(N[C@@H]2CCN(C)[C@H]2c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC001185818884 914127630 /nfs/dbraw/zinc/12/76/30/914127630.db2.gz FFJOAICZYFGVKO-WMQOHFFWSA-N 0 1 399.422 3.777 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc3oc(CN4CCCC4)nc3c2)c1 ZINC000820492938 897358692 /nfs/dbraw/zinc/35/86/92/897358692.db2.gz LLZAYQDGWPCDET-UHFFFAOYSA-N 0 1 396.403 3.593 20 5 GHBDMN CC(C)(CO)[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1cccs1 ZINC000289362724 914160631 /nfs/dbraw/zinc/16/06/31/914160631.db2.gz OKBPWICLWPCIQE-INIZCTEOSA-N 0 1 397.884 3.598 20 5 GHBDMN COc1ccc([C@H](C)N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1F ZINC000042640178 897686133 /nfs/dbraw/zinc/68/61/33/897686133.db2.gz QIKMNERIBXRTBQ-STQMWFEESA-N 0 1 375.400 3.729 20 5 GHBDMN CN(C)c1cccc2c1cccc2S(=O)(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000821123880 897724179 /nfs/dbraw/zinc/72/41/79/897724179.db2.gz IRXVDPLYHICASB-UHFFFAOYSA-N 0 1 389.408 3.754 20 5 GHBDMN COc1ccc([C@H]2CCN(C(=O)c3cc(-c4ccc([N+](=O)[O-])cc4)[nH]n3)C2)cc1 ZINC001136548419 898239331 /nfs/dbraw/zinc/23/93/31/898239331.db2.gz IHZSWFFHQGFXSX-INIZCTEOSA-N 0 1 392.415 3.623 20 5 GHBDMN C[C@H]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000805788688 898385775 /nfs/dbraw/zinc/38/57/75/898385775.db2.gz MGDQTRSTYWXSLQ-BHDSKKPTSA-N 0 1 393.793 3.526 20 5 GHBDMN O=C(N[C@H]1CCC[C@@H](c2nc3ccccc3[nH]2)C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000569461192 898684163 /nfs/dbraw/zinc/68/41/63/898684163.db2.gz VOAWSXHXINVHDV-OCCSQVGLSA-N 0 1 380.404 3.633 20 5 GHBDMN C[C@H](c1ccncc1)N1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000121150586 899967703 /nfs/dbraw/zinc/96/77/03/899967703.db2.gz NWKTVPMVCGHLHE-CYBMUJFWSA-N 0 1 388.855 3.599 20 5 GHBDMN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)Nc1nc2c(s1)CN(C(C)(C)C)CC2 ZINC000843909127 900323752 /nfs/dbraw/zinc/32/37/52/900323752.db2.gz USPAOBJRGMSQFW-UHFFFAOYSA-N 0 1 392.456 3.908 20 5 GHBDMN CC(C)([C@H](NCc1cccnc1[N+](=O)[O-])c1ccc(F)c(F)c1)N1CCCC1 ZINC000886122744 900803860 /nfs/dbraw/zinc/80/38/60/900803860.db2.gz JKQZMLDYDPQJKZ-GOSISDBHSA-N 0 1 390.434 3.973 20 5 GHBDMN C[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1cccc(OC(F)F)c1 ZINC000047164195 901481497 /nfs/dbraw/zinc/48/14/97/901481497.db2.gz BGLSREVVJSYXLB-SECBINFHSA-N 0 1 376.319 3.564 20 5 GHBDMN Cc1cc(Cl)ccc1C[NH+]1CCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CC1 ZINC000576111274 901689462 /nfs/dbraw/zinc/68/94/62/901689462.db2.gz RWNRZVGXLSHLHW-UHFFFAOYSA-N 0 1 389.839 3.577 20 5 GHBDMN COc1ccc(CN[C@@H](C)c2ccc(NC(=O)NC(C)C)cc2)cc1[N+](=O)[O-] ZINC000264385858 903059118 /nfs/dbraw/zinc/05/91/18/903059118.db2.gz XZDZAYBJVQGVAN-AWEZNQCLSA-N 0 1 386.452 3.984 20 5 GHBDMN CC(C)OC[C@H](CO)N(C)Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000579052335 904317945 /nfs/dbraw/zinc/31/79/45/904317945.db2.gz FCTZMYAFDJTTKP-KRWDZBQOSA-N 0 1 392.427 3.744 20 5 GHBDMN CCOc1ccc([C@@H](C)NCc2ccc(-n3ccnc3C)nc2)cc1[N+](=O)[O-] ZINC000153076224 904328054 /nfs/dbraw/zinc/32/80/54/904328054.db2.gz BHHDOTHAWVLBQT-CQSZACIVSA-N 0 1 381.436 3.733 20 5 GHBDMN Cc1c([C@H](C)NCc2cccc(NC(=O)[C@@H]3CCCO3)c2)cccc1[N+](=O)[O-] ZINC000153397639 904360310 /nfs/dbraw/zinc/36/03/10/904360310.db2.gz RGRUPRHFTLVDSR-YWZLYKJASA-N 0 1 383.448 3.872 20 5 GHBDMN C[C@@H](NCCS(=O)(=O)CC1CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000773067281 904408408 /nfs/dbraw/zinc/40/84/08/904408408.db2.gz VATMWNMIANLXQH-CYBMUJFWSA-N 0 1 394.518 3.799 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2noc(CN3CC[C@@H](COCc4ccccc4)C3)n2)c1 ZINC000173989486 905179475 /nfs/dbraw/zinc/17/94/75/905179475.db2.gz ANIUGFWSBQORIQ-QGZVFWFLSA-N 0 1 394.431 3.684 20 5 GHBDMN O=C(O[C@@H]1CCN(Cc2ccccc2)C1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000779206923 905363658 /nfs/dbraw/zinc/36/36/58/905363658.db2.gz VODCJZPPRVKBIE-OAHLLOKOSA-N 0 1 392.358 3.628 20 5 GHBDMN O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1 ZINC000176081195 905749446 /nfs/dbraw/zinc/74/94/46/905749446.db2.gz OLXNEHBJSUKKOT-GOSISDBHSA-N 0 1 380.404 3.894 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CCN(C)C[C@@H]2c2ccccc2)c1F ZINC001173186015 906267977 /nfs/dbraw/zinc/26/79/77/906267977.db2.gz QUUFPOKLXNMOLM-HNAYVOBHSA-N 0 1 387.455 3.662 20 5 GHBDMN C[C@H](Cc1ccc([N+](=O)[O-])cc1)NCC(=O)c1ccc(Br)c(F)c1 ZINC001173218918 906296793 /nfs/dbraw/zinc/29/67/93/906296793.db2.gz TXWDJSGYSRAZFG-LLVKDONJSA-N 0 1 395.228 3.900 20 5 GHBDMN CO[C@@H](CN1CCN([C@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 ZINC001173230763 906316798 /nfs/dbraw/zinc/31/67/98/906316798.db2.gz FNWIRAKAPMAGRT-GCJKJVERSA-N 0 1 383.492 3.531 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000178728507 906377319 /nfs/dbraw/zinc/37/73/19/906377319.db2.gz NWGFXAHBNWVGLE-ZDUSSCGKSA-N 0 1 384.436 3.738 20 5 GHBDMN CN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Cc1ccc([S@](C)=O)cc1 ZINC000178804018 906387775 /nfs/dbraw/zinc/38/77/75/906387775.db2.gz SJHSCUVRMHTLJM-NDEPHWFRSA-N 0 1 399.472 3.662 20 5 GHBDMN COc1cc(CN[C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)c([N+](=O)[O-])cc1F ZINC000192127951 907446635 /nfs/dbraw/zinc/44/66/35/907446635.db2.gz VIEYLGBHAIPXIJ-CRAIPNDOSA-N 0 1 382.338 3.641 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@H](C)c1ccc(F)cc1C ZINC001175992283 907856134 /nfs/dbraw/zinc/85/61/34/907856134.db2.gz OBFMQDPNIZZRON-OLZOCXBDSA-N 0 1 375.400 3.729 20 5 GHBDMN CC(C)C[C@H]1CCCN1CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000795415570 910268271 /nfs/dbraw/zinc/26/82/71/910268271.db2.gz QPZUVQBGZWDZHK-CYBMUJFWSA-N 0 1 396.285 3.781 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N2CCCCC[C@H]2C[C@@H](O)c2ccco2)c1[N+](=O)[O-] ZINC000269841574 910367018 /nfs/dbraw/zinc/36/70/18/910367018.db2.gz VNGYJWNINAHNIO-UONOGXRCSA-N 0 1 390.440 3.543 20 5 GHBDMN O=C([O-])[C@]1(c2ccccc2)CC[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000901825436 921602347 /nfs/dbraw/zinc/60/23/47/921602347.db2.gz FTDONZQNLSMELE-GOSISDBHSA-N 0 1 394.349 3.842 20 5 GHBDMN C[C@H](N[C@H]1CCN(C)[C@H]1c1ccccc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000284448006 911870909 /nfs/dbraw/zinc/87/09/09/911870909.db2.gz ZWKLTKLDLSPZFJ-JVPBZIDWSA-N 0 1 393.447 3.741 20 5 GHBDMN CCOc1cc(CN[C@@H](C)c2ccc(S(=O)(=O)CC)cc2)ccc1[N+](=O)[O-] ZINC000284746879 912014655 /nfs/dbraw/zinc/01/46/55/912014655.db2.gz LHEZWFKLFFROTA-AWEZNQCLSA-N 0 1 392.477 3.638 20 5 GHBDMN O=[N+]([O-])c1ccc(NS(=O)(=O)Cc2cc(Cl)ccc2F)cc1Cl ZINC000775069987 914958222 /nfs/dbraw/zinc/95/82/22/914958222.db2.gz GORFZKYYKFHINR-UHFFFAOYSA-N 0 1 379.196 3.983 20 5 GHBDMN O=C(N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000303575384 914958616 /nfs/dbraw/zinc/95/86/16/914958616.db2.gz NQGJLNOWAQKCTE-INIZCTEOSA-N 0 1 393.365 3.618 20 5 GHBDMN CC[C@H](NCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1OC ZINC000775079062 914985223 /nfs/dbraw/zinc/98/52/23/914985223.db2.gz QLGMFHJUESPWLA-AWEZNQCLSA-N 0 1 377.828 3.936 20 5 GHBDMN Cc1cc(C2CCN(C(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])CC2)n[nH]1 ZINC000291712666 915328727 /nfs/dbraw/zinc/32/87/27/915328727.db2.gz QAZARMOXNCVFBF-UHFFFAOYSA-N 0 1 383.235 3.953 20 5 GHBDMN Cc1cc(Cl)c(S(=O)(=O)N[C@@](C)(C2CC2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000775207445 916270194 /nfs/dbraw/zinc/27/01/94/916270194.db2.gz GBHZADAGABJKFB-LBPRGKRZSA-N 0 1 386.779 3.566 20 5 GHBDMN Cc1oc2ccccc2c1CNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC001188952245 916306116 /nfs/dbraw/zinc/30/61/16/916306116.db2.gz JDPRRPFGQSECTB-UHFFFAOYSA-N 0 1 398.799 3.920 20 5 GHBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NC[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC001190349011 917277682 /nfs/dbraw/zinc/27/76/82/917277682.db2.gz ZZDMSNAZTKNMJA-JKSUJKDBSA-N 0 1 392.452 3.986 20 5 GHBDMN COc1cc(C(=O)Nc2cccc3c2CN(CC(C)C)C3)c([N+](=O)[O-])cc1F ZINC000295560798 917359492 /nfs/dbraw/zinc/35/94/92/917359492.db2.gz QIPPHJDYDSYAHO-UHFFFAOYSA-N 0 1 387.411 3.966 20 5 GHBDMN O=C(CN1CCC[C@@H](c2ccccc2)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001190781094 917562399 /nfs/dbraw/zinc/56/23/99/917562399.db2.gz PPEUNHZQLDQHGX-GOSISDBHSA-N 0 1 379.460 3.754 20 5 GHBDMN COc1ccc(NC(=O)[C@H](C)N2CCC[C@@H](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001190855087 917604740 /nfs/dbraw/zinc/60/47/40/917604740.db2.gz MWINNVUTCGXISK-WMZOPIPTSA-N 0 1 397.475 3.885 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1nc(-c2ccccc2)n[nH]1 ZINC000007471471 919300402 /nfs/dbraw/zinc/30/04/02/919300402.db2.gz SCRQYCJGUAIWSM-LLVKDONJSA-N 0 1 399.432 3.508 20 5 GHBDMN O=C(N[C@@H]1CCc2nc[nH]c2C1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000372332604 925342089 /nfs/dbraw/zinc/34/20/89/925342089.db2.gz LRMCZJXBPYTCLZ-CYBMUJFWSA-N 0 1 394.456 3.756 20 5 GHBDMN Cc1cc([N+](=O)[O-])c(F)c(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)c1F ZINC000827827236 926058277 /nfs/dbraw/zinc/05/82/77/926058277.db2.gz QWCHUPGPRULRGN-HNNXBMFYSA-N 0 1 389.402 3.576 20 5 GHBDMN O=C(Nc1ccccc1-c1nnc[nH]1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000374272593 926962280 /nfs/dbraw/zinc/96/22/80/926962280.db2.gz OZJVBATVBDSFNE-UHFFFAOYSA-N 0 1 377.282 3.651 20 5 GHBDMN Cc1cc(Cl)c(S(=O)(=O)Nc2cccc(-c3cc[nH]n3)c2)cc1[N+](=O)[O-] ZINC000753068006 929188819 /nfs/dbraw/zinc/18/88/19/929188819.db2.gz KMWUBGOLNAFYLI-UHFFFAOYSA-N 0 1 392.824 3.748 20 5 GHBDMN O=[N+]([O-])c1ccc(NS(=O)(=O)c2cccc(C(F)F)c2)c2cccnc21 ZINC000780728566 930587598 /nfs/dbraw/zinc/58/75/98/930587598.db2.gz DRSSKAFSNYCLKZ-UHFFFAOYSA-N 0 1 379.344 3.881 20 5 GHBDMN O=C(Nc1ccnc(N2CCc3ccccc3C2)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000557483956 931463938 /nfs/dbraw/zinc/46/39/38/931463938.db2.gz WKFROSMXYZSDAS-UHFFFAOYSA-N 0 1 390.399 3.510 20 5 GHBDMN O=[N+]([O-])c1cccc(Br)c1CN1CC[C@H](Cc2ccncc2)C1 ZINC000783598095 931591999 /nfs/dbraw/zinc/59/19/99/931591999.db2.gz QSORUXVVKOXSGD-CQSZACIVSA-N 0 1 376.254 3.817 20 5 GHBDMN C/C(=C/C(=O)NC[C@@H](c1ccco1)N1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000783731507 931634880 /nfs/dbraw/zinc/63/48/80/931634880.db2.gz XJYQMJUMOJHFAF-VDUFWMCCSA-N 0 1 383.448 3.935 20 5 GHBDMN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)Nc2ccc3c(c2)CCCO3)c1 ZINC000783823702 931668382 /nfs/dbraw/zinc/66/83/82/931668382.db2.gz HRKKDEFIUNBQSO-UHFFFAOYSA-N 0 1 382.825 3.682 20 5 GHBDMN CC[C@@H](C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)N(C)Cc1ccccc1 ZINC000559337121 932609721 /nfs/dbraw/zinc/60/97/21/932609721.db2.gz NDBKBKJZRUUIKK-NRFANRHFSA-N 0 1 381.476 3.996 20 5 GHBDMN COc1ccc(CN2CCC[C@H](CCNC(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000799360236 932970616 /nfs/dbraw/zinc/97/06/16/932970616.db2.gz HCRHUPFLAHATBZ-OAHLLOKOSA-N 0 1 393.484 3.730 20 5 GHBDMN C[C@H](c1ccccc1)[C@@H](CO)NCc1ccc([N+](=O)[O-])cc1Br ZINC001116650902 933683249 /nfs/dbraw/zinc/68/32/49/933683249.db2.gz GVVAVNCFCUTFPC-SJKOYZFVSA-N 0 1 379.254 3.612 20 5 GHBDMN O=C(Nc1ccc(Br)c(O)c1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC001116737452 933727860 /nfs/dbraw/zinc/72/78/60/933727860.db2.gz UEEWQNYZTPZERI-UHFFFAOYSA-N 0 1 392.209 3.890 20 5 GHBDMN C[C@]12CCCN1C[C@@H](c1noc(-c3cc4cc([N+](=O)[O-])ccc4s3)n1)OC2 ZINC000561932956 934570610 /nfs/dbraw/zinc/57/06/10/934570610.db2.gz CPTOCQMLPPDGNI-SCLBCKFNSA-N 0 1 386.433 3.785 20 5 GHBDMN CC(C)(C)OC(=O)CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C1CCOCC1 ZINC000828795971 935712864 /nfs/dbraw/zinc/71/28/64/935712864.db2.gz WILOLXJXTMJQOA-UHFFFAOYSA-N 0 1 398.887 3.961 20 5 GHBDMN CC(C)(C)OC(=O)CCN(Cc1cc([N+](=O)[O-])ccc1Cl)C1CCOCC1 ZINC000828795971 935712867 /nfs/dbraw/zinc/71/28/67/935712867.db2.gz WILOLXJXTMJQOA-UHFFFAOYSA-N 0 1 398.887 3.961 20 5 GHBDMN O=[N+]([O-])c1ccc(CN(Cc2ccccc2)[C@@H](CO)C2CCC2)c([N+](=O)[O-])c1 ZINC000829539027 935824762 /nfs/dbraw/zinc/82/47/62/935824762.db2.gz WLYRSIKCTHYHAS-FQEVSTJZSA-N 0 1 385.420 3.666 20 5 GHBDMN C[C@@H](CNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC001592722225 979223382 /nfs/dbraw/zinc/22/33/82/979223382.db2.gz JMMHLQHFAGFFME-LBPRGKRZSA-N 0 1 389.839 3.805 20 5 GHBDMN C[N@H+](CCOc1ccc(/C=C\C(=O)[O-])cc1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC001598498758 992400136 /nfs/dbraw/zinc/40/01/36/992400136.db2.gz MLXONOFDUJFGNK-WTKPLQERSA-N 0 1 390.823 3.857 20 5 GHBDMN C[N@@H+](CCOc1ccc(/C=C\C(=O)[O-])cc1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC001598498758 992400138 /nfs/dbraw/zinc/40/01/38/992400138.db2.gz MLXONOFDUJFGNK-WTKPLQERSA-N 0 1 390.823 3.857 20 5 GHBDMN CC(C)[N@H+](Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)Cc1ccccc1F ZINC001591600608 992831601 /nfs/dbraw/zinc/83/16/01/992831601.db2.gz PCGMPSIPKBXPMF-UHFFFAOYSA-N 0 1 376.384 3.608 20 5 GHBDMN CC(C)[N@@H+](Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)Cc1ccccc1F ZINC001591600608 992831607 /nfs/dbraw/zinc/83/16/07/992831607.db2.gz PCGMPSIPKBXPMF-UHFFFAOYSA-N 0 1 376.384 3.608 20 5 GHBDMN COc1cc(S(=O)(=O)Nc2ccc3c4c(cccc42)CC3)ccc1[N+](=O)[O-] ZINC000469039162 1016362112 /nfs/dbraw/zinc/36/21/12/1016362112.db2.gz RWTQZZXHENFMPW-UHFFFAOYSA-N 0 1 384.413 3.656 20 5 GHBDMN CO[C@H](CN1CCN(c2ccc3ccc([N+](=O)[O-])cc3n2)CC1)c1ccccc1 ZINC001155716688 1032658665 /nfs/dbraw/zinc/65/86/65/1032658665.db2.gz SMPBDCQJHZIAFH-OAQYLSRUSA-N 0 1 392.459 3.653 20 5 GHBDMN CCOc1cc(CN2CC[C@H](c3nccc(C(F)(F)F)n3)C2)ccc1[N+](=O)[O-] ZINC000933713516 1018885563 /nfs/dbraw/zinc/88/55/63/1018885563.db2.gz PJMMVYPWBKWLSJ-ZDUSSCGKSA-N 0 1 396.369 3.792 20 5 GHBDMN Cc1cc(S(=O)(=O)Nc2cccc(C3CCOCC3)c2)ccc1[N+](=O)[O-] ZINC000600662670 1020198682 /nfs/dbraw/zinc/19/86/82/1020198682.db2.gz QZNFRNKUZQOBSE-UHFFFAOYSA-N 0 1 376.434 3.598 20 5 GHBDMN O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)Nc1ccc(OC(F)F)cc1F ZINC000800844961 1021343406 /nfs/dbraw/zinc/34/34/06/1021343406.db2.gz URHUIHWUVOYKGQ-UHFFFAOYSA-N 0 1 396.730 3.790 20 5 GHBDMN COc1cc([C@@H](C)N[C@H](C)c2cccc(N3CCOC3=O)c2)cc([N+](=O)[O-])c1 ZINC000903078273 1021574605 /nfs/dbraw/zinc/57/46/05/1021574605.db2.gz FCDYUIUTXMIFLF-ZIAGYGMSSA-N 0 1 385.420 3.972 20 5 GHBDMN CC(C)n1cc([C@H](C)N[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cn1 ZINC000754804840 1022906242 /nfs/dbraw/zinc/90/62/42/1022906242.db2.gz DNJJGHLUIQWLBD-RYUDHWBXSA-N 0 1 379.848 3.703 20 5 GHBDMN Cc1cc(F)cc(C(=O)N2CCN(Cc3ccccc3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000836921457 1023468947 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1 398.532 3.898 20 5 GHBDMN CCCSc1nc(Cl)c([N+](=O)[O-])c(N[C@H]2CNCc3ccsc32)n1 ZINC001163220346 1026092852 /nfs/dbraw/zinc/09/28/52/1026092852.db2.gz OYMACARJBJGZQX-VIFPVBQESA-N 0 1 385.902 3.858 20 5 GHBDMN CNC(=O)c1cc(Oc2ccc(Nc3ccc(O)c([N+](=O)[O-])c3)c(F)c2)ccn1 ZINC001210397819 1027487971 /nfs/dbraw/zinc/48/79/71/1027487971.db2.gz JGZGEZYAJDBILC-UHFFFAOYSA-N 0 1 398.350 3.730 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2nc(CNC[C@H](O)Cc3ccccc3F)cs2)c1 ZINC001203692187 1027538324 /nfs/dbraw/zinc/53/83/24/1027538324.db2.gz VHWPVKORRLECIC-QGZVFWFLSA-N 0 1 387.436 3.551 20 5 GHBDMN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@@H]1c2ccccc2CC[C@@H]1F ZINC001213507420 1028231721 /nfs/dbraw/zinc/23/17/21/1028231721.db2.gz RHTQYLUHZHDEHR-DZGCQCFKSA-N 0 1 384.816 3.552 20 5 GHBDMN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@@H]1c2ccccc2CC[C@H]1F ZINC001213507422 1028232230 /nfs/dbraw/zinc/23/22/30/1028232230.db2.gz RHTQYLUHZHDEHR-UKRRQHHQSA-N 0 1 384.816 3.552 20 5 GHBDMN O=C(Nc1nc(-c2ccccc2C(F)(F)F)ns1)c1ccc([N+](=O)[O-])cn1 ZINC001461467511 1069562943 /nfs/dbraw/zinc/56/29/43/1069562943.db2.gz BZFBMILPNYZAMJ-UHFFFAOYSA-N 0 1 395.322 3.779 20 5 GHBDMN COc1ccc(Cl)c(-c2noc(-c3cc(O)c(OC)cc3[N+](=O)[O-])n2)c1 ZINC001216349240 1029611850 /nfs/dbraw/zinc/61/18/50/1029611850.db2.gz WTEGHIMSWNMIGP-UHFFFAOYSA-N 0 1 377.740 3.688 20 5 GHBDMN CC(C)[C@H]1CN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC001461603324 1069635176 /nfs/dbraw/zinc/63/51/76/1069635176.db2.gz UNVOUOIUKWNLPU-OAQYLSRUSA-N 0 1 399.466 3.645 20 5 GHBDMN Cc1ccc(-c2noc(-c3cc([N+](=O)[O-])cc(N4CCN(C)CC4)c3)n2)c(F)c1 ZINC001217018794 1030094778 /nfs/dbraw/zinc/09/47/78/1030094778.db2.gz ZJNFNTANOJJQEA-UHFFFAOYSA-N 0 1 397.410 3.511 20 5 GHBDMN CC(C)(C)OC(=O)[C@@H]1CC[C@H](NCc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC001461615900 1069642121 /nfs/dbraw/zinc/64/21/21/1069642121.db2.gz NUEFSBRMZISBTH-YPMHNXCESA-N 0 1 386.395 3.796 20 5 GHBDMN Cc1ccc(C(=O)c2cc([O-])c(O[C@@H]3CCC[C@@H]4C[NH2+]C[C@@H]43)c([N+](=O)[O-])c2)cc1 ZINC001218144120 1030794474 /nfs/dbraw/zinc/79/44/74/1030794474.db2.gz BPDIMXFZQKHUED-OXFYSEKESA-N 0 1 396.443 3.607 20 5 GHBDMN Cc1nnc2cc(NC(=O)[C@@H](N)Cc3c4ccccc4cc4ccccc43)ccn12 ZINC001218699136 1031039259 /nfs/dbraw/zinc/03/92/59/1031039259.db2.gz DAVFEZUEDPFONK-QFIPXVFZSA-N 0 1 395.466 3.853 20 5 GHBDMN CCOc1ccc2c(c1)c(=N)c1ccc(N)cc1n2C(=O)c1ccn2cncc2c1 ZINC001151902043 1031044855 /nfs/dbraw/zinc/04/48/55/1031044855.db2.gz IRZWXTLGUXNNJT-UHFFFAOYSA-N 0 1 397.438 3.591 20 5 GHBDMN C[C@H](c1ccccn1)N1CC[C@@H](Oc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC001225504984 1031442983 /nfs/dbraw/zinc/44/29/83/1031442983.db2.gz FJJMFPLSWOYNKJ-TZMCWYRMSA-N 0 1 392.253 3.967 20 5 GHBDMN O=C(c1ccco1)C(Oc1ncc(Br)cc1[N+](=O)[O-])c1ccco1 ZINC001225747429 1031577699 /nfs/dbraw/zinc/57/76/99/1031577699.db2.gz LURNFCHZERUHBJ-AWEZNQCLSA-N 0 1 393.149 3.941 20 5 GHBDMN C[C@@H](CN1CCC(C)CC1)NC(=O)c1ccc2oc3ccccc3c(=O)c2c1 ZINC001153427057 1031585156 /nfs/dbraw/zinc/58/51/56/1031585156.db2.gz QLYLKZFXRQBHEK-INIZCTEOSA-N 0 1 378.472 3.796 20 5 GHBDMN C[C@H]1CCN(Cc2ccccc2)C[C@H]1Oc1c([N+](=O)[O-])cc(F)cc1[N+](=O)[O-] ZINC001225887142 1031676290 /nfs/dbraw/zinc/67/62/90/1031676290.db2.gz VAOPJTKXNJECEN-SCLBCKFNSA-N 0 1 389.383 3.932 20 5 GHBDMN C[C@H](c1ccccn1)N1CC[C@@H](Oc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC001229141800 1033304566 /nfs/dbraw/zinc/30/45/66/1033304566.db2.gz RPWCBOWCAYMXRU-IUODEOHRSA-N 0 1 392.253 3.967 20 5 GHBDMN CN1CCC(Oc2ccc3c(c2)occ(-c2ccc([N+](=O)[O-])cc2)c3=O)CC1 ZINC001229267655 1033380818 /nfs/dbraw/zinc/38/08/18/1033380818.db2.gz OTPROFVNMMIEPG-UHFFFAOYSA-N 0 1 380.400 3.841 20 5 GHBDMN C[N@H+]1[C@@H]2C[C@H](Oc3ccc(/C=C/c4ccc([N+](=O)[O-])cc4)cc3)[C@H]1CC(=O)C2 ZINC001229948910 1033809886 /nfs/dbraw/zinc/80/98/86/1033809886.db2.gz VNCUKAKMHWJWCI-AFMTVUOTSA-N 0 1 378.428 3.948 20 5 GHBDMN CN1[C@@H]2C[C@H](Oc3ccc(/C=C/c4ccc([N+](=O)[O-])cc4)cc3)[C@H]1CC(=O)C2 ZINC001229948910 1033809903 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O=C(c1ccco1)C(Oc1cc(N2CCOCC2)ccc1[N+](=O)[O-])c1ccco1 ZINC001234360320 1039984526 /nfs/dbraw/zinc/98/45/26/1039984526.db2.gz PMUPSMNYLLIVNL-FQEVSTJZSA-N 0 1 398.371 3.620 20 5 GHBDMN O=C(c1ccco1)[C@@H](Oc1cc(N2CCOCC2)ccc1[N+](=O)[O-])c1ccco1 ZINC001234360320 1039984534 /nfs/dbraw/zinc/98/45/34/1039984534.db2.gz PMUPSMNYLLIVNL-FQEVSTJZSA-N 0 1 398.371 3.620 20 5 GHBDMN CC(C)(C)OC(=O)[C@H]1CCCCN1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254479272 1040267171 /nfs/dbraw/zinc/26/71/71/1040267171.db2.gz VWJHKJBYTGHSSL-LJQANCHMSA-N 0 1 389.496 3.760 20 5 GHBDMN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCC(Oc2cc(Cl)ncn2)CC1 ZINC001254561066 1040334822 /nfs/dbraw/zinc/33/48/22/1040334822.db2.gz FAAMLDMGQRUDGH-CYBMUJFWSA-N 0 1 376.844 3.513 20 5 GHBDMN CCOCc1nn(CC2CC2)c2c1CN([C@H](C)Cc1ccccc1[N+](=O)[O-])CC2 ZINC001254562771 1040336684 /nfs/dbraw/zinc/33/66/84/1040336684.db2.gz UHLOYGQBFFBOJV-MRXNPFEDSA-N 0 1 398.507 3.727 20 5 GHBDMN C[C@@H]1C[C@@]2(CC[C@@H](CNCc3cc(Cl)cc(Cl)c3[N+](=O)[O-])O2)CO1 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DVWRQNJZMMUSJK-GJZGRUSLSA-N 0 1 392.843 3.736 20 5 GHBDMN Cc1noc(CN2CC[C@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C2)c1[N+](=O)[O-] ZINC001308028728 1049779197 /nfs/dbraw/zinc/77/91/97/1049779197.db2.gz ZIZVRILHDJXXSH-LJQANCHMSA-N 0 1 396.488 3.654 20 5 GHBDMN CC(C)(C)OC(=O)NC[C@@]12CN(Cc3cccnc3[N+](=O)[O-])C[C@H]1CCCC2 ZINC001308173931 1049900896 /nfs/dbraw/zinc/90/08/96/1049900896.db2.gz QDXGLZKVGIXVGR-UZLBHIALSA-N 0 1 390.484 3.507 20 5 GHBDMN Cn1nc(CCNCc2c(Br)cccc2[N+](=O)[O-])c2ccccc21 ZINC001308376915 1049961828 /nfs/dbraw/zinc/96/18/28/1049961828.db2.gz RJYOFTKKWXAVDS-UHFFFAOYSA-N 0 1 389.253 3.576 20 5 GHBDMN CCc1noc([C@H]2CC[C@@H](NCc3c(Br)cccc3[N+](=O)[O-])C2)n1 ZINC001308540368 1050003421 /nfs/dbraw/zinc/00/34/21/1050003421.db2.gz FVTFTLQWLRZOIM-WDEREUQCSA-N 0 1 395.257 3.729 20 5 GHBDMN Cc1ccc(C[N@H+]2CCCN(c3cc(C)c([N+](=O)[O-])cc3C(=O)[O-])CC2)cc1 ZINC001332520975 1051535897 /nfs/dbraw/zinc/53/58/97/1051535897.db2.gz XPNSJQZSZABLHS-UHFFFAOYSA-N 0 1 383.448 3.622 20 5 GHBDMN CC(C)(C(=O)Nc1nc(-c2cccc(Cl)c2)n[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC001336929434 1052365351 /nfs/dbraw/zinc/36/53/51/1052365351.db2.gz JKFKDDCFZYDQBR-UHFFFAOYSA-N 0 1 385.811 3.950 20 5 GHBDMN CC[C@@H](NC(=O)NC[C@@H]1CCN1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC001312312813 1052689880 /nfs/dbraw/zinc/68/98/80/1052689880.db2.gz BZMXRQSFNLQDOZ-VQTJNVASSA-N 0 1 382.464 3.620 20 5 GHBDMN COc1cc(CN(C)[C@@H]2CC[C@@H](SC)C2)c([N+](=O)[O-])cc1OC(F)F ZINC001318792835 1054877304 /nfs/dbraw/zinc/87/73/04/1054877304.db2.gz PRHVHDNDVGTFEN-VXGBXAGGSA-N 0 1 376.425 3.921 20 5 GHBDMN Cc1cc(NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)ccc1N1CCN(C)CC1 ZINC001319963751 1055565742 /nfs/dbraw/zinc/56/57/42/1055565742.db2.gz OTRISQHLYHMLOK-UHFFFAOYSA-N 0 1 396.491 3.833 20 5 GHBDMN O=C(Cc1[nH]nc2ccccc21)OCc1ccc([N+](=O)[O-])cc1Br ZINC001320489738 1055834818 /nfs/dbraw/zinc/83/48/18/1055834818.db2.gz AZWWAYUWNBPECI-UHFFFAOYSA-N 0 1 390.193 3.520 20 5 GHBDMN NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001320643033 1055913005 /nfs/dbraw/zinc/91/30/05/1055913005.db2.gz LFEFYFMJLKZLHU-FVMIAERFSA-N 0 1 389.839 3.594 20 5 GHBDMN COc1ccccc1C1(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCC1 ZINC001322931430 1056890103 /nfs/dbraw/zinc/89/01/03/1056890103.db2.gz VQDJOTXOKLVUHL-UHFFFAOYSA-N 0 1 396.852 3.615 20 5 GHBDMN C[C@H]1CN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])[C@@H](C)CN1Cc1ccccc1 ZINC001356354816 1057486483 /nfs/dbraw/zinc/48/64/83/1057486483.db2.gz LGTAMMDZCPHZCA-IRXDYDNUSA-N 0 1 399.466 3.788 20 5 GHBDMN CCCCC[C@H](C)CC(=O)Nc1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC001439679246 1058259027 /nfs/dbraw/zinc/25/90/27/1058259027.db2.gz QDNAWVYMZAIBKS-INIZCTEOSA-N 0 1 376.501 3.892 20 5 GHBDMN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2cccc(C[NH+]3CCCC3)c2)c1 ZINC001338511360 1058603934 /nfs/dbraw/zinc/60/39/34/1058603934.db2.gz IZFHDQPDMSAIBW-UHFFFAOYSA-N 0 1 389.477 3.608 20 5 GHBDMN C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2[O-])cc1 ZINC001441378216 1058770250 /nfs/dbraw/zinc/77/02/50/1058770250.db2.gz OTQNXQOARMYIAY-OAHLLOKOSA-N 0 1 383.448 3.605 20 5 GHBDMN COc1ccc2nc([C@H](C)NC(=O)c3cc(Cl)c(F)c([N+](=O)[O-])c3)[nH]c2c1 ZINC001448109867 1060107450 /nfs/dbraw/zinc/10/74/50/1060107450.db2.gz BWACWPBIRZNQIO-QMMMGPOBSA-N 0 1 392.774 3.763 20 5 GHBDMN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1ccc(Nc2ccncc2)cc1 ZINC001452748619 1060999829 /nfs/dbraw/zinc/99/98/29/1060999829.db2.gz OCZNEAVJEZAHSZ-UHFFFAOYSA-N 0 1 387.399 3.818 20 5 GHBDMN COc1cc(C(=O)Nc2ccc(Nc3ccncc3)cc2)c([N+](=O)[O-])cc1F ZINC001452748731 1061002744 /nfs/dbraw/zinc/00/27/44/1061002744.db2.gz QJAUUZWEYQZSOL-UHFFFAOYSA-N 0 1 382.351 3.555 20 5 GHBDMN O=C(Nc1ccccc1-c1nc2ccc(Cl)cc2[nH]1)c1n[nH]cc1[N+](=O)[O-] ZINC001452832507 1061029409 /nfs/dbraw/zinc/02/94/09/1061029409.db2.gz JNRXYEIHPVKFHR-UHFFFAOYSA-N 0 1 382.767 3.767 20 5 GHBDMN Cc1cc(C(=O)N2CCc3nc[nH]c3[C@H]2c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC001455311893 1062099447 /nfs/dbraw/zinc/09/94/47/1062099447.db2.gz BQLDTZXIMCDXAQ-LJQANCHMSA-N 0 1 380.379 3.553 20 5 GHBDMN CC1CCC(N2CCN(C(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)CC2)CC1 ZINC001456419493 1062671420 /nfs/dbraw/zinc/67/14/20/1062671420.db2.gz SFHBDJKMEPSVJW-UHFFFAOYSA-N 0 1 399.413 3.950 20 5 GHBDMN CCN1C[C@H](C)N(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C[C@H]1C ZINC001435741760 1062904733 /nfs/dbraw/zinc/90/47/33/1062904733.db2.gz YHZRZHLYPPWWQQ-SJORKVTESA-N 0 1 396.491 3.762 20 5 GHBDMN Cn1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)c1-c1ccccc1 ZINC001457609445 1063274293 /nfs/dbraw/zinc/27/42/93/1063274293.db2.gz ANUQUPZZZYNTEM-UHFFFAOYSA-N 0 1 388.387 3.638 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(Cc2ccccc2)[C@H](C(C)C)C1 ZINC001437732362 1063924450 /nfs/dbraw/zinc/92/44/50/1063924450.db2.gz XMGZPTSRYUBFIO-NRFANRHFSA-N 0 1 381.476 3.886 20 5 GHBDMN C[C@@H](CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)N1CCc2ccccc2C1 ZINC001357359901 1067063389 /nfs/dbraw/zinc/06/33/89/1067063389.db2.gz PDYICFUXSQTSSI-KRWDZBQOSA-N 0 1 393.487 3.580 20 5 GHBDMN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2nc(-c3ccc4ccccc4n3)n[nH]2)c1C ZINC001468317061 1067682602 /nfs/dbraw/zinc/68/26/02/1067682602.db2.gz XFCOKJINYXNGBL-UHFFFAOYSA-N 0 1 388.387 3.797 20 5 GHBDMN O=C(NCCCCc1nc(-c2ccccn2)cs1)c1cc(O)cc([N+](=O)[O-])c1 ZINC001469545403 1068215616 /nfs/dbraw/zinc/21/56/16/1068215616.db2.gz MFATZHVXBPEVIP-UHFFFAOYSA-N 0 1 398.444 3.572 20 5 GHBDMN O=C(c1cc(-c2ccccc2O)n[nH]1)N1CCCCc2ccc([N+](=O)[O-])cc21 ZINC001470302687 1068674385 /nfs/dbraw/zinc/67/43/85/1068674385.db2.gz SECGVSOHIMVPNN-UHFFFAOYSA-N 0 1 378.388 3.674 20 5 GHBDMN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCc2n[nH]c(C)c2C)cc1 ZINC001471677903 1073175127 /nfs/dbraw/zinc/17/51/27/1073175127.db2.gz SOAPJNMJEBLABV-UHFFFAOYSA-N 0 1 396.403 3.666 20 5 GHBDMN CC[C@H](c1ccccc1)N1CCN([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC001473193522 1073846274 /nfs/dbraw/zinc/84/62/74/1073846274.db2.gz VVHLMIWIFRXFKU-YLJYHZDGSA-N 0 1 396.491 3.691 20 5 GHBDMN CCO[C@H]1C[C@H](N(C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C12CCCCC2 ZINC001473199181 1073852065 /nfs/dbraw/zinc/85/20/65/1073852065.db2.gz DZEVGEYFRXFRCW-OALUTQOASA-N 0 1 389.496 3.901 20 5 GHBDMN O=[N+]([O-])c1ccc(OCCCN(Cc2ccccc2)C[C@@H](O)C(F)(F)F)cc1 ZINC001473372258 1073937807 /nfs/dbraw/zinc/93/78/07/1073937807.db2.gz RVCAKNNNJSSZOW-GOSISDBHSA-N 0 1 398.381 3.789 20 5 GHBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(n2cnc3ccccc3c2=O)CC1 ZINC001473898127 1074194887 /nfs/dbraw/zinc/19/48/87/1074194887.db2.gz WJQSEERQXZSIHE-HNNXBMFYSA-N 0 1 378.432 3.703 20 5 GHBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)N[C@H]1CCC[C@H](c2cccc(Cl)c2)C1 ZINC001475388039 1074857746 /nfs/dbraw/zinc/85/77/46/1074857746.db2.gz WJAGDHDOOBIVDW-ZFWWWQNUSA-N 0 1 395.868 3.648 20 5 GHBDMN C[C@H](NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])c1cc2cnccc2o1 ZINC001475615119 1074927966 /nfs/dbraw/zinc/92/79/66/1074927966.db2.gz QUZGXFNIYYUDEL-QMMMGPOBSA-N 0 1 399.787 3.568 20 5 GHBDMN C[C@H](C[N@H+](Cc1ccccc1)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)C(=O)[O-] ZINC000736583913 601088934 /nfs/dbraw/zinc/08/89/34/601088934.db2.gz NCHHSGVBKQBNDI-MRXNPFEDSA-N 0 1 394.431 3.639 20 5 GHBDMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000263519550 604679694 /nfs/dbraw/zinc/67/96/94/604679694.db2.gz QJTBSZAUJMOUMT-ZLIFDBKOSA-N 0 1 387.461 3.936 20 5 GHBDMN C[C@H](NC(=O)[O-])[C@H]1CCC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000833811208 605595753 /nfs/dbraw/zinc/59/57/53/605595753.db2.gz AUPNDDJFJLFXBS-JSGCOSHPSA-N 0 1 390.465 3.586 20 5 GHBDMN C[C@H](NC(=O)[O-])[C@H]1CCC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000833811208 605595759 /nfs/dbraw/zinc/59/57/59/605595759.db2.gz AUPNDDJFJLFXBS-JSGCOSHPSA-N 0 1 390.465 3.586 20 5 GHBDMN CC(C)N(C)Cc1cnc2n1CCN(c1nccc3ccc([N+](=O)[O-])cc31)[C@H]2C ZINC001164859688 720994341 /nfs/dbraw/zinc/99/43/41/720994341.db2.gz LJKNDRPKFDTVCN-HNNXBMFYSA-N 0 1 394.479 3.761 20 5 GHBDMN O=C(Nc1nc(-c2ccc(Cl)cc2)n[nH]1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000581090677 837459310 /nfs/dbraw/zinc/45/93/10/837459310.db2.gz FRILBBMFHYNCMZ-UHFFFAOYSA-N 0 1 398.810 3.860 20 5 GHBDMN CC(C)OC[C@@H](CO)N(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000581100446 837463298 /nfs/dbraw/zinc/46/32/98/837463298.db2.gz VMCUOXHCSJBWHG-CQSZACIVSA-N 0 1 382.844 3.726 20 5 GHBDMN Cc1cc(C(F)(F)F)ncc1NS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000414386045 837567013 /nfs/dbraw/zinc/56/70/13/837567013.db2.gz SSOMGGJQXLWIKK-UHFFFAOYSA-N 0 1 389.355 3.735 20 5 GHBDMN C[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccccc1C(F)(F)F ZINC000510285925 837738014 /nfs/dbraw/zinc/73/80/14/837738014.db2.gz FYMLZLIWJGRGQJ-VIFPVBQESA-N 0 1 378.310 3.981 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2noc(CN3CCC[C@@H]3Cc3cccc(F)c3)n2)cc1 ZINC000053076566 834864058 /nfs/dbraw/zinc/86/40/58/834864058.db2.gz XOEBWFXJBJUVGV-GOSISDBHSA-N 0 1 382.395 3.991 20 5 GHBDMN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000509326373 835288051 /nfs/dbraw/zinc/28/80/51/835288051.db2.gz GMIXXBIOOOIDDM-SFHVURJKSA-N 0 1 390.509 3.879 20 5 GHBDMN CCOc1ccc([C@H](C)N[C@H]2CCCN(Cc3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000179496007 835742683 /nfs/dbraw/zinc/74/26/83/835742683.db2.gz CJBSAYJAKJSGHD-LPHOPBHVSA-N 0 1 397.475 3.835 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H](C)c1cccc(OC(F)F)c1 ZINC000179585965 835886859 /nfs/dbraw/zinc/88/68/59/835886859.db2.gz VZVHJVIEVKSPFD-LBPRGKRZSA-N 0 1 379.363 3.794 20 5 GHBDMN Cc1ccc(-c2n[nH]c(NC(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000609604028 835979458 /nfs/dbraw/zinc/97/94/58/835979458.db2.gz YJNACYAKKWQZGQ-GFCCVEGCSA-N 0 1 383.433 3.808 20 5 GHBDMN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179835348 836015821 /nfs/dbraw/zinc/01/58/21/836015821.db2.gz IKFCDNXGSJZUDK-AWEZNQCLSA-N 0 1 384.440 3.619 20 5 GHBDMN CC(C)(CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2ccccc2C1 ZINC000411355447 836147680 /nfs/dbraw/zinc/14/76/80/836147680.db2.gz ONEOVQFAENEFRX-LEWJYISDSA-N 0 1 393.487 3.651 20 5 GHBDMN COc1ccc2c(c1)CC[C@@H](N[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)C2 ZINC000612402234 836178396 /nfs/dbraw/zinc/17/83/96/836178396.db2.gz UMBQIIGLAZEILO-WIYYLYMNSA-N 0 1 392.459 3.573 20 5 GHBDMN COC[C@@H](N[C@@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1)C1CC1 ZINC000136671396 836296900 /nfs/dbraw/zinc/29/69/00/836296900.db2.gz HLQIBMRPVGTTHY-UYAOXDASSA-N 0 1 383.448 3.598 20 5 GHBDMN CC(C)c1ccc(CNCC(=O)Nc2cccc3cccnc32)cc1[N+](=O)[O-] ZINC000725851252 836446666 /nfs/dbraw/zinc/44/66/66/836446666.db2.gz PDZMTCVKNBPFFX-UHFFFAOYSA-N 0 1 378.432 3.995 20 5 GHBDMN CC(C)OC[C@H](CO)N(C)Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000582572883 836461885 /nfs/dbraw/zinc/46/18/85/836461885.db2.gz BKQGUOYAEOUYOE-IBGZPJMESA-N 0 1 387.480 3.580 20 5 GHBDMN C[C@@H](NCc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000246974869 836511555 /nfs/dbraw/zinc/51/15/55/836511555.db2.gz JHONDPKCSGSNGC-IXDOHACOSA-N 0 1 397.475 3.695 20 5 GHBDMN CSc1ccc(C(=O)NC[C@@H](c2ccc(C)o2)N2CCCC2)cc1[N+](=O)[O-] ZINC000170633882 836517362 /nfs/dbraw/zinc/51/73/62/836517362.db2.gz HPVSRAWXOSVSAJ-INIZCTEOSA-N 0 1 389.477 3.785 20 5 GHBDMN O=C(NCCN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)c1ccccc1F ZINC000180192573 836601268 /nfs/dbraw/zinc/60/12/68/836601268.db2.gz YFDDIXPENYBRLI-OAQYLSRUSA-N 0 1 393.418 3.843 20 5 GHBDMN C[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000180397967 837212738 /nfs/dbraw/zinc/21/27/38/837212738.db2.gz KWLRHOHOZWQGCE-HZPDHXFCSA-N 0 1 382.464 3.873 20 5 GHBDMN C[C@@H](NCC(=O)N(C)Cc1c(F)cccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000180418872 837228071 /nfs/dbraw/zinc/22/80/71/837228071.db2.gz VVHRVPJUWPOPCC-GFCCVEGCSA-N 0 1 379.819 3.697 20 5 GHBDMN CN1CCCC(C)(C)[C@@H]1CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000548066134 839025848 /nfs/dbraw/zinc/02/58/48/839025848.db2.gz RICYBJDZJLKVAO-FQEVSTJZSA-N 0 1 377.488 3.532 20 5 GHBDMN O=C(NCc1ccccc1)[C@H](NCCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000536211169 839154316 /nfs/dbraw/zinc/15/43/16/839154316.db2.gz VMYBGSWZMLFVDR-JOCHJYFZSA-N 0 1 389.455 3.785 20 5 GHBDMN Cc1ccc(Br)c(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC000123771119 839309618 /nfs/dbraw/zinc/30/96/18/839309618.db2.gz PPSIWHVUUFYUHM-UHFFFAOYSA-N 0 1 385.239 3.775 20 5 GHBDMN COc1ccc(CN2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)cc1[N+](=O)[O-] ZINC000066831302 839522930 /nfs/dbraw/zinc/52/29/30/839522930.db2.gz PDNJMCLZMVFKLR-UHFFFAOYSA-N 0 1 393.447 3.768 20 5 GHBDMN CN(CCC(=O)Nc1ccccc1Br)Cc1ccccc1[N+](=O)[O-] ZINC000052589551 844454765 /nfs/dbraw/zinc/45/47/65/844454765.db2.gz ZUWPBTMFLIVLGO-UHFFFAOYSA-N 0 1 392.253 3.818 20 5 GHBDMN Cc1nc([C@H]2CCCCN2c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)n[nH]1 ZINC000509528469 840193514 /nfs/dbraw/zinc/19/35/14/840193514.db2.gz QNDSLOSHSNYJQT-MRXNPFEDSA-N 0 1 394.435 3.727 20 5 GHBDMN O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1nnc(COc3ccccc3)[n-]1)CCCC2 ZINC000417315431 840712656 /nfs/dbraw/zinc/71/26/56/840712656.db2.gz BNZXXWXOFAUHSA-IBGZPJMESA-N 0 1 393.447 3.849 20 5 GHBDMN C[C@H](c1ccncc1)N1CCC(Nc2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000473514027 844627251 /nfs/dbraw/zinc/62/72/51/844627251.db2.gz RGYNSGOJWPNRJD-OAHLLOKOSA-N 0 1 377.448 3.597 20 5 GHBDMN COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[C@@H](c3nc4ccc(C)cc4[nH]3)C2)c1 ZINC000302110505 861208372 /nfs/dbraw/zinc/20/83/72/861208372.db2.gz ABJWWPYRSKMEHJ-OAHLLOKOSA-N 0 1 394.431 3.950 20 5 GHBDMN Cc1ccc([C@@H](C)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)cc1[N+](=O)[O-] ZINC000157188946 841638112 /nfs/dbraw/zinc/63/81/12/841638112.db2.gz BBGKDBFHYAOTIB-IXDOHACOSA-N 0 1 384.480 3.763 20 5 GHBDMN CN(C[C@@H]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC000255325000 841700221 /nfs/dbraw/zinc/70/02/21/841700221.db2.gz VOQXEQCVTWAYIO-GQSKFBFOSA-N 0 1 375.469 3.797 20 5 GHBDMN O=C(Nc1ccc(Cl)c(Cl)c1)c1ccccc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126098950 841852863 /nfs/dbraw/zinc/85/28/63/841852863.db2.gz DQMWPVHVLRXJOC-IAQYHMDHSA-N 0 1 394.214 3.849 20 5 GHBDMN CN(C)Cc1ccc(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1F ZINC000477410804 842075603 /nfs/dbraw/zinc/07/56/03/842075603.db2.gz CANCKYJDUSWHIU-UHFFFAOYSA-N 0 1 387.436 3.940 20 5 GHBDMN Cc1cc(N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000581729209 842103763 /nfs/dbraw/zinc/10/37/63/842103763.db2.gz NMZYQVJSAMEKAX-CVEARBPZSA-N 0 1 375.469 3.692 20 5 GHBDMN Cc1ccc(NC(=O)C(C)(C)C)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000112039774 842167277 /nfs/dbraw/zinc/16/72/77/842167277.db2.gz ITTUHFQSCCCTBS-UHFFFAOYSA-N 0 1 391.449 3.689 20 5 GHBDMN C[C@H]1CN(c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CCN1CC(C)(C)O ZINC000302504947 861292831 /nfs/dbraw/zinc/29/28/31/861292831.db2.gz QFNULJUHOUDGEE-JTQLQIEISA-N 0 1 395.809 3.548 20 5 GHBDMN CSc1ccc(F)cc1CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000466889051 842508350 /nfs/dbraw/zinc/50/83/50/842508350.db2.gz RRQOZNYLPBVSIE-UHFFFAOYSA-N 0 1 390.845 3.588 20 5 GHBDMN C[C@@H]1CN(c2ccc(CN[C@@H]3CC(C)(C)c4ccc([N+](=O)[O-])cc43)cn2)CCO1 ZINC000279108349 842599014 /nfs/dbraw/zinc/59/90/14/842599014.db2.gz OZSNZZICUHWPMU-FOIQADDNSA-N 0 1 396.491 3.727 20 5 GHBDMN CC[C@H](C)NC(=O)[C@@H](C)NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000101595999 842627638 /nfs/dbraw/zinc/62/76/38/842627638.db2.gz JGTOOJIRTQFXFE-UONOGXRCSA-N 0 1 389.427 3.919 20 5 GHBDMN O=C1C[C@H](c2ccccc2)N(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCN1 ZINC000510540306 842927903 /nfs/dbraw/zinc/92/79/03/842927903.db2.gz VANYWLRVNAQWKV-HXUWFJFHSA-N 0 1 391.427 3.918 20 5 GHBDMN Cc1ccc(-c2[nH]nc([N-]S(=O)(=O)c3c(C)cc([N+](=O)[O-])cc3C)c2C)o1 ZINC000135403288 843283837 /nfs/dbraw/zinc/28/38/37/843283837.db2.gz QZGMMQBPURRPEY-UHFFFAOYSA-N 0 1 390.421 3.612 20 5 GHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N(Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000613896819 843328961 /nfs/dbraw/zinc/32/89/61/843328961.db2.gz NCVYZKQGWYCHPZ-UHFFFAOYSA-N 0 1 384.388 3.614 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nc(-c2ccccc2)n[nH]1 ZINC000007471464 843669067 /nfs/dbraw/zinc/66/90/67/843669067.db2.gz SCRQYCJGUAIWSM-NSHDSACASA-N 0 1 399.432 3.508 20 5 GHBDMN COc1ccccc1N1CC[C@@H](N[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1=O ZINC000433288107 843976434 /nfs/dbraw/zinc/97/64/34/843976434.db2.gz LPOZTOFLVBXWMZ-MSOLQXFVSA-N 0 1 395.459 3.721 20 5 GHBDMN CC1(C)C[C@@H](N[C@@H]2CCN(Cc3ccc(F)cc3)C2=O)c2cc([N+](=O)[O-])ccc21 ZINC000433062356 845107717 /nfs/dbraw/zinc/10/77/17/845107717.db2.gz OFXTVTCEVCKEHZ-WOJBJXKFSA-N 0 1 397.450 3.847 20 5 GHBDMN COc1ccc2cc(CN(C)C(=O)c3n[nH]c(C(C)C)c3[N+](=O)[O-])ccc2c1 ZINC000433682951 845192721 /nfs/dbraw/zinc/19/27/21/845192721.db2.gz LQQZBZPCYQTASR-UHFFFAOYSA-N 0 1 382.420 3.875 20 5 GHBDMN CCOc1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC ZINC000047608570 845211607 /nfs/dbraw/zinc/21/16/07/845211607.db2.gz KDGXYNVKSRVIDQ-KGLIPLIRSA-N 0 1 387.436 3.680 20 5 GHBDMN COc1cc(CNC[C@H](OC(C)C)c2ccccc2OC)c([N+](=O)[O-])cc1O ZINC000472037912 845526432 /nfs/dbraw/zinc/52/64/32/845526432.db2.gz MGSGDYUSYHUCMJ-FQEVSTJZSA-N 0 1 390.436 3.574 20 5 GHBDMN Cc1cc([C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])c2ccccc2Cl)ccc1F ZINC000119631708 845691043 /nfs/dbraw/zinc/69/10/43/845691043.db2.gz SENHTYPIGZRAGJ-MRXNPFEDSA-N 0 1 388.786 3.938 20 5 GHBDMN O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000119703933 845982916 /nfs/dbraw/zinc/98/29/16/845982916.db2.gz GDENRCXIELPIHP-CYBMUJFWSA-N 0 1 393.896 3.952 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN2CC[C@@]23CCOC3)cc1 ZINC000421401592 846194699 /nfs/dbraw/zinc/19/46/99/846194699.db2.gz ULNBGWHKOANOGZ-QFIPXVFZSA-N 0 1 390.443 3.812 20 5 GHBDMN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000421791624 846597705 /nfs/dbraw/zinc/59/77/05/846597705.db2.gz JRAATVWANMVZOI-MRXNPFEDSA-N 0 1 382.464 3.562 20 5 GHBDMN C[C@@H]1CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)[C@@H](C)CN1Cc1ccccc1 ZINC000501616974 847060384 /nfs/dbraw/zinc/06/03/84/847060384.db2.gz LKMPUOQEPJBJJO-CVEARBPZSA-N 0 1 392.459 3.811 20 5 GHBDMN CCN(CC(C)(C)O)[C@@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000158216220 847086300 /nfs/dbraw/zinc/08/63/00/847086300.db2.gz FRPIESXYVQSZJB-LJQANCHMSA-N 0 1 385.464 3.676 20 5 GHBDMN O=[N+]([O-])c1cccc(CN(Cc2ccc(CN3CCOCC3)cc2)C2CC2)c1 ZINC000420928611 847548484 /nfs/dbraw/zinc/54/84/84/847548484.db2.gz BUKMDTPNUIWPSI-UHFFFAOYSA-N 0 1 381.476 3.592 20 5 GHBDMN CCOc1ccc(NC(=O)CN[C@@H](CC(F)F)c2ccccc2)c([N+](=O)[O-])c1 ZINC000421000607 847623868 /nfs/dbraw/zinc/62/38/68/847623868.db2.gz WHAVEUMCTXYTCB-INIZCTEOSA-N 0 1 393.390 3.918 20 5 GHBDMN CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CCC[C@H](CCO)C2)cc1OC ZINC000611660875 847830128 /nfs/dbraw/zinc/83/01/28/847830128.db2.gz QRTBPJFNXSFXDH-HZPDHXFCSA-N 0 1 380.485 3.623 20 5 GHBDMN CC[C@H]1C[C@@]1(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(C)c1 ZINC000502483026 847938916 /nfs/dbraw/zinc/93/89/16/847938916.db2.gz SQEDAGTUFVIICJ-JXFKEZNVSA-N 0 1 388.489 3.592 20 5 GHBDMN Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)ccc1F ZINC000728508483 848134528 /nfs/dbraw/zinc/13/45/28/848134528.db2.gz QVQVQBZOTLGDQV-UHFFFAOYSA-N 0 1 389.202 3.606 20 5 GHBDMN CN(CCCc1cc(-c2ccc(F)cc2)no1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000611555863 848149938 /nfs/dbraw/zinc/14/99/38/848149938.db2.gz STMPTESARAGLFS-UHFFFAOYSA-N 0 1 399.378 3.799 20 5 GHBDMN O=C(c1cc([N+](=O)[O-])ccc1SCC1CCCC1)N1CCc2nc[nH]c2C1 ZINC000599952398 861955414 /nfs/dbraw/zinc/95/54/14/861955414.db2.gz MYNIPULWQQBVHB-UHFFFAOYSA-N 0 1 386.477 3.799 20 5 GHBDMN COc1cccc(C(=O)N2CCC[C@@H]2c2nc3ccc(C)cc3[nH]2)c1[N+](=O)[O-] ZINC000583300689 849579666 /nfs/dbraw/zinc/57/96/66/849579666.db2.gz GMOIISPHCYBVIE-MRXNPFEDSA-N 0 1 380.404 3.765 20 5 GHBDMN CC[C@H](C)c1nc([C@@H](C)Nc2ncc([N+](=O)[O-])c(C)c2Br)n[nH]1 ZINC000486791703 850099413 /nfs/dbraw/zinc/09/94/13/850099413.db2.gz PBTOLUUQPRJLGT-IONNQARKSA-N 0 1 383.250 3.865 20 5 GHBDMN CC[C@H](C)c1nc([C@@H](C)Nc2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)n[nH]1 ZINC000486797512 850107148 /nfs/dbraw/zinc/10/71/48/850107148.db2.gz MJXDXBNJILNMHJ-WCQYABFASA-N 0 1 381.440 3.587 20 5 GHBDMN CC[C@@H](CSc1ccccc1[N+](=O)[O-])NCc1nncn1-c1ccccc1 ZINC000504893040 850423017 /nfs/dbraw/zinc/42/30/17/850423017.db2.gz AZTXUNGWXKDVBV-HNNXBMFYSA-N 0 1 383.477 3.836 20 5 GHBDMN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)c1n[nH]c([C@H](C)CC)n1 ZINC000439935482 850607684 /nfs/dbraw/zinc/60/76/84/850607684.db2.gz UUEQJUPLZBDLOV-MNOVXSKESA-N 0 1 376.417 3.508 20 5 GHBDMN COc1ccc(-c2ccc(CNC(=O)c3cc(O)cc([N+](=O)[O-])c3)s2)cc1 ZINC000506726413 850629352 /nfs/dbraw/zinc/62/93/52/850629352.db2.gz USWRUHWVBYIPFB-UHFFFAOYSA-N 0 1 384.413 3.968 20 5 GHBDMN CN(C)[C@H](CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)Cc1ccccc1 ZINC000435830754 850895597 /nfs/dbraw/zinc/89/55/97/850895597.db2.gz JHNUKKDLRCKBTB-IBGZPJMESA-N 0 1 399.494 3.584 20 5 GHBDMN CCN(C(=O)c1n[nH]c(C)c1[N+](=O)[O-])[C@@H](C)Cc1ccccc1C(F)(F)F ZINC000435951174 851037836 /nfs/dbraw/zinc/03/78/36/851037836.db2.gz YSORXKIVYKJAIK-JTQLQIEISA-N 0 1 384.358 3.738 20 5 GHBDMN CC[C@H](NCc1ccc(Br)cc1[N+](=O)[O-])c1c(C)nn(C)c1C ZINC000425434614 851070277 /nfs/dbraw/zinc/07/02/77/851070277.db2.gz QIHJQBCGEBNRIX-AWEZNQCLSA-N 0 1 381.274 3.949 20 5 GHBDMN CC(C)OCc1ccccc1CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000604432184 862203279 /nfs/dbraw/zinc/20/32/79/862203279.db2.gz JPMVWICXUOKLMR-UHFFFAOYSA-N 0 1 398.868 3.652 20 5 GHBDMN CCN1CCCN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)[C@@H](C)C1 ZINC000910280039 851103685 /nfs/dbraw/zinc/10/36/85/851103685.db2.gz NYUVKJGSWJRICA-ZDUSSCGKSA-N 0 1 399.441 3.516 20 5 GHBDMN COc1ccc(-c2ccc(C[NH2+]Cc3ccc(C(=O)[O-])c(C)n3)o2)c([N+](=O)[O-])c1 ZINC000426649966 851125285 /nfs/dbraw/zinc/12/52/85/851125285.db2.gz ZCRFCLHFULDAJG-UHFFFAOYSA-N 0 1 397.387 3.555 20 5 GHBDMN C[C@@H]1[C@H](Nc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000910357843 851148956 /nfs/dbraw/zinc/14/89/56/851148956.db2.gz OWBXIVOCEMKDJK-QVFMIUSGSA-N 0 1 381.432 3.768 20 5 GHBDMN CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000910374444 851163532 /nfs/dbraw/zinc/16/35/32/851163532.db2.gz MKLVKEABBGILIJ-SFHVURJKSA-N 0 1 397.475 3.950 20 5 GHBDMN C[C@@H]1C[C@H](N(C)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000910353307 851167283 /nfs/dbraw/zinc/16/72/83/851167283.db2.gz FDRSKGRQGNWNDR-CRAIPNDOSA-N 0 1 383.448 3.782 20 5 GHBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000604521522 862244644 /nfs/dbraw/zinc/24/46/44/862244644.db2.gz OKKAMUQELLAVTM-GCJKJVERSA-N 0 1 397.475 3.941 20 5 GHBDMN O=C(CN1CCCCCC1)Nc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000505806147 851552311 /nfs/dbraw/zinc/55/23/11/851552311.db2.gz CQMLLXGNNBIURG-UHFFFAOYSA-N 0 1 396.447 3.662 20 5 GHBDMN COc1ccc(NC(=O)CCN2CCc3c(Cl)cccc3C2)c([N+](=O)[O-])c1 ZINC000133854529 851714945 /nfs/dbraw/zinc/71/49/45/851714945.db2.gz KQZNZNJAWOEEEM-UHFFFAOYSA-N 0 1 389.839 3.644 20 5 GHBDMN Cc1c(NC(=O)CCN2CCO[C@H](CCc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000543559820 851831341 /nfs/dbraw/zinc/83/13/41/851831341.db2.gz TVMLOHUAXKJNKU-LJQANCHMSA-N 0 1 397.475 3.565 20 5 GHBDMN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C2CCCCC2)CC1 ZINC000489197803 852108999 /nfs/dbraw/zinc/10/89/99/852108999.db2.gz QWIFMQFCOFSCJR-UHFFFAOYSA-N 0 1 377.510 3.797 20 5 GHBDMN Cc1ccc([C@@H](C)NC(=O)NC[C@H](C)N2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000489327646 852233029 /nfs/dbraw/zinc/23/30/29/852233029.db2.gz YRAVMPRYRQTAOK-DLBZAZTESA-N 0 1 396.491 3.710 20 5 GHBDMN O=[N+]([O-])c1cc(F)c(CNC2(Cc3cccc(F)c3)CCOCC2)c(F)c1 ZINC000550275152 852254803 /nfs/dbraw/zinc/25/48/03/852254803.db2.gz UUKKYVNKZVCAAW-UHFFFAOYSA-N 0 1 380.366 3.894 20 5 GHBDMN C[C@@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)c1cc(Cl)ccc1Cl ZINC000426774686 852380413 /nfs/dbraw/zinc/38/04/13/852380413.db2.gz PNAZIVFEXXDTKW-RISCZKNCSA-N 0 1 385.247 3.992 20 5 GHBDMN CC(C)(CNC(=O)CSc1ccc([N+](=O)[O-])cc1)N1CCc2ccccc2C1 ZINC000029160751 852570116 /nfs/dbraw/zinc/57/01/16/852570116.db2.gz GKEUYOAIGPHQNC-UHFFFAOYSA-N 0 1 399.516 3.640 20 5 GHBDMN COc1ccc(NC(=O)[C@@H](C)N2CC[C@H](c3ccccc3C)C2)c([N+](=O)[O-])c1 ZINC000507195655 852666370 /nfs/dbraw/zinc/66/63/70/852666370.db2.gz KELYCWGNDXLLJJ-CVEARBPZSA-N 0 1 383.448 3.728 20 5 GHBDMN C[C@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1cc(Cl)ccc1Cl ZINC000426127899 852796152 /nfs/dbraw/zinc/79/61/52/852796152.db2.gz JZMWKBNQKMCCEF-WCQYABFASA-N 0 1 385.247 3.992 20 5 GHBDMN CC(C)c1ccc(C(=O)N[C@@H](Cc2nc[nH]n2)c2ccccc2)cc1[N+](=O)[O-] ZINC000506376862 852910406 /nfs/dbraw/zinc/91/04/06/852910406.db2.gz HZSIQBUJDKAQBK-KRWDZBQOSA-N 0 1 379.420 3.550 20 5 GHBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000490342963 852948221 /nfs/dbraw/zinc/94/82/21/852948221.db2.gz IZFCGPTXWZSZIR-LSDHHAIUSA-N 0 1 383.795 3.776 20 5 GHBDMN COc1ccc(S[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1 ZINC000490362834 852963571 /nfs/dbraw/zinc/96/35/71/852963571.db2.gz GRLRAHQDLCKRQI-LLVKDONJSA-N 0 1 399.432 3.508 20 5 GHBDMN CN(CC(=O)Nc1nc2ccc(C(F)(F)F)cc2[nH]1)c1ccccc1[N+](=O)[O-] ZINC000490358915 852979269 /nfs/dbraw/zinc/97/92/69/852979269.db2.gz ALMDEUKVYAOGMJ-UHFFFAOYSA-N 0 1 393.325 3.565 20 5 GHBDMN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000438952371 853125083 /nfs/dbraw/zinc/12/50/83/853125083.db2.gz XOVPPRYMSDCTNL-YOEHRIQHSA-N 0 1 387.867 3.807 20 5 GHBDMN C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000518379390 853277819 /nfs/dbraw/zinc/27/78/19/853277819.db2.gz JKCHSWKMNJJEQQ-KBPBESRZSA-N 0 1 395.887 3.680 20 5 GHBDMN O=C(NCC[C@H](c1ccccc1)C(F)(F)F)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000490842443 853305938 /nfs/dbraw/zinc/30/59/38/853305938.db2.gz MSSSNDKFHLHMJD-CQSZACIVSA-N 0 1 392.337 3.937 20 5 GHBDMN Cc1ccc(Sc2ccc(CN[C@@H]3C(=O)NCC[C@@H]3C)cc2[N+](=O)[O-])cc1 ZINC000441336092 854103492 /nfs/dbraw/zinc/10/34/92/854103492.db2.gz RSZMWDGSKAVKFQ-LIRRHRJNSA-N 0 1 385.489 3.669 20 5 GHBDMN CN1CC[C@H](NCc2nc3cc([N+](=O)[O-])ccc3o2)[C@H]1c1ccc(Cl)cc1 ZINC000589284698 854783521 /nfs/dbraw/zinc/78/35/21/854783521.db2.gz XBVIEBRBTJSWAJ-HNAYVOBHSA-N 0 1 386.839 3.924 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2nc(CN[C@H]3CC[C@@](O)(C(F)(F)F)C3)cs2)c1 ZINC000589938378 855193681 /nfs/dbraw/zinc/19/36/81/855193681.db2.gz NSXOLTHEAWBHGO-NHYWBVRUSA-N 0 1 387.383 3.654 20 5 GHBDMN Cc1n[nH]c([C@@H]2CCCN(Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C2)n1 ZINC000542692418 855459471 /nfs/dbraw/zinc/45/94/71/855459471.db2.gz OFBLYQQZNFWDQW-CQSZACIVSA-N 0 1 384.465 3.524 20 5 GHBDMN Cc1cc(S(=O)(=O)Nc2c(F)cccc2NC(C)C)c(F)cc1[N+](=O)[O-] ZINC000590598165 855504474 /nfs/dbraw/zinc/50/44/74/855504474.db2.gz QJHYCKSWLUCJPF-UHFFFAOYSA-N 0 1 385.392 3.803 20 5 GHBDMN C[C@H]1CC[C@@H](C(F)(F)F)CN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000590715750 855558624 /nfs/dbraw/zinc/55/86/24/855558624.db2.gz XSAAUFLQAOOIGF-CMPLNLGQSA-N 0 1 382.342 3.788 20 5 GHBDMN COc1ccc(C(=O)Nc2ccc3nc([C@H]4CCCO4)[nH]c3c2)cc1[N+](=O)[O-] ZINC000141496110 855636046 /nfs/dbraw/zinc/63/60/46/855636046.db2.gz BYQSYPVZALLVOS-QGZVFWFLSA-N 0 1 382.376 3.584 20 5 GHBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1N1CCCCC1 ZINC000520769076 856406813 /nfs/dbraw/zinc/40/68/13/856406813.db2.gz ZYAWPEVLXLBZSS-UHFFFAOYSA-N 0 1 389.477 3.948 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CNC1(c2cccc(Cl)c2)CCC1 ZINC000592185292 856799849 /nfs/dbraw/zinc/79/98/49/856799849.db2.gz WNKYVDMWZIQTMH-UHFFFAOYSA-N 0 1 389.839 3.864 20 5 GHBDMN C[C@@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000173212332 856810344 /nfs/dbraw/zinc/81/03/44/856810344.db2.gz OTPKZMGPHIZMQI-LLVKDONJSA-N 0 1 383.326 3.783 20 5 GHBDMN C[C@H](CCc1ccc(Br)cc1)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000427909533 856868575 /nfs/dbraw/zinc/86/85/75/856868575.db2.gz ULLQWCLIDFEKFV-LLVKDONJSA-N 0 1 393.237 3.814 20 5 GHBDMN O=C(NCc1ccc(Oc2ccc(F)cc2)nc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000427912991 856871412 /nfs/dbraw/zinc/87/14/12/856871412.db2.gz JRHSNRCGWIIREY-UHFFFAOYSA-N 0 1 383.335 3.557 20 5 GHBDMN CCCN(C(=O)c1cccc([N+](=O)[O-])c1N)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000485645298 856896281 /nfs/dbraw/zinc/89/62/81/856896281.db2.gz URECIAZZOMEQLL-SFHVURJKSA-N 0 1 396.491 3.694 20 5 GHBDMN O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3ccccc3OCC(F)(F)F)C2)nc1 ZINC000173468256 856946525 /nfs/dbraw/zinc/94/65/25/856946525.db2.gz FUGZFIGDLNFKIT-AWEZNQCLSA-N 0 1 396.369 3.617 20 5 GHBDMN O=C(c1cc2ccccc2c2cccnc12)N1CCN(CC2CCOCC2)CC1 ZINC000172461280 856968430 /nfs/dbraw/zinc/96/84/30/856968430.db2.gz HCBNUAUSLORDHL-UHFFFAOYSA-N 0 1 389.499 3.572 20 5 GHBDMN Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)c3cc(O)cc([N+](=O)[O-])c3)cc2)n1 ZINC000428018588 857001329 /nfs/dbraw/zinc/00/13/29/857001329.db2.gz WBCHZBBGGAOVEI-CQSZACIVSA-N 0 1 380.404 3.594 20 5 GHBDMN C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000508202812 857063768 /nfs/dbraw/zinc/06/37/68/857063768.db2.gz AUEWXLVLERGBJV-JTQLQIEISA-N 0 1 392.337 3.851 20 5 GHBDMN COc1cc(CN[C@@H]2CSC2(C)C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000554937348 857073514 /nfs/dbraw/zinc/07/35/14/857073514.db2.gz GXDFBKCQQSSFTI-CYBMUJFWSA-N 0 1 380.388 3.528 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C)c1ccc2ncsc2c1 ZINC000485816815 857126379 /nfs/dbraw/zinc/12/63/79/857126379.db2.gz STGSSKNYVMLXDL-NSHDSACASA-N 0 1 386.433 3.502 20 5 GHBDMN Cc1csc(Sc2ccc(-c3nc([C@@H]4CCCN4)no3)cc2[N+](=O)[O-])n1 ZINC000592357188 857194771 /nfs/dbraw/zinc/19/47/71/857194771.db2.gz SPWSGUMDAHAVCI-NSHDSACASA-N 0 1 389.462 3.985 20 5 GHBDMN CN1CC[C@@H](Nc2ccc3cc([N+](=O)[O-])ccc3n2)[C@@H]1c1ccc(F)c(F)c1 ZINC000485977131 857288645 /nfs/dbraw/zinc/28/86/45/857288645.db2.gz KBZVTLKJFMYNHH-QUCCMNQESA-N 0 1 384.386 3.700 20 5 GHBDMN COc1cc(CN2CCC(Cc3nc([C@H]4C[C@H]4C)no3)CC2)ccc1[N+](=O)[O-] ZINC000593076517 857338489 /nfs/dbraw/zinc/33/84/89/857338489.db2.gz KHNVCWSDMRQBJU-CJNGLKHVSA-N 0 1 386.452 3.565 20 5 GHBDMN O=C(Nc1ccc(F)c(-c2nc[nH]n2)c1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001128589564 862899924 /nfs/dbraw/zinc/89/99/24/862899924.db2.gz NQGSKKDNPOGXSW-UHFFFAOYSA-N 0 1 381.367 3.579 20 5 GHBDMN CC(C)(C)Oc1c(F)cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1F ZINC000442234007 857660211 /nfs/dbraw/zinc/66/02/11/857660211.db2.gz DZFOPYGOBWWUJX-UHFFFAOYSA-N 0 1 386.376 3.851 20 5 GHBDMN CSc1cccc(C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000486439594 857738677 /nfs/dbraw/zinc/73/86/77/857738677.db2.gz ZTAILDCEACGYLE-MRXNPFEDSA-N 0 1 385.489 3.663 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2nnc(CN(CCc3cccc(F)c3)C3CC3)o2)cc1 ZINC000113998178 857832717 /nfs/dbraw/zinc/83/27/17/857832717.db2.gz YJAIBANFXSCMBF-UHFFFAOYSA-N 0 1 382.395 3.991 20 5 GHBDMN O=C(Nc1ccc2nc(-c3ccccn3)[nH]c2c1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000114126471 857907372 /nfs/dbraw/zinc/90/73/72/857907372.db2.gz UWJNYCZUIHNVBB-UHFFFAOYSA-N 0 1 399.370 3.662 20 5 GHBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(Br)c1 ZINC000521415736 857974595 /nfs/dbraw/zinc/97/45/95/857974595.db2.gz GLKMCMSMSYHFSD-UHFFFAOYSA-N 0 1 385.239 3.721 20 5 GHBDMN CC(=O)c1ccc(N2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)c([N+](=O)[O-])c1 ZINC000301821104 858043982 /nfs/dbraw/zinc/04/39/82/858043982.db2.gz BIOLUEAXGLVMRX-QGZVFWFLSA-N 0 1 377.404 3.924 20 5 GHBDMN CC(=O)c1ccc(N2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)c([N+](=O)[O-])c1 ZINC000301821104 858043985 /nfs/dbraw/zinc/04/39/85/858043985.db2.gz BIOLUEAXGLVMRX-QGZVFWFLSA-N 0 1 377.404 3.924 20 5 GHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCCC[C@@H]1Cc1ccc(F)cc1 ZINC000521505287 858057170 /nfs/dbraw/zinc/05/71/70/858057170.db2.gz JFAHQNWWMHIQNC-OAHLLOKOSA-N 0 1 382.395 3.848 20 5 GHBDMN CC(C)CN(CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCCc2cccnc21 ZINC000126942756 858335141 /nfs/dbraw/zinc/33/51/41/858335141.db2.gz TUDIFXNJXHIYLI-LJQANCHMSA-N 0 1 382.464 3.964 20 5 GHBDMN CCN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000066885550 858335566 /nfs/dbraw/zinc/33/55/66/858335566.db2.gz UXTZBNVUKDPWRN-INIZCTEOSA-N 0 1 385.464 3.519 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCc1ccc(CN2CCCC2=O)cc1 ZINC000595019512 858352330 /nfs/dbraw/zinc/35/23/30/858352330.db2.gz XHLIOPPBUUPIGK-HNNXBMFYSA-N 0 1 383.448 3.577 20 5 GHBDMN CC(C)[C@@H](CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000574992294 858486633 /nfs/dbraw/zinc/48/66/33/858486633.db2.gz CUHOESQFMDICQL-OAQYLSRUSA-N 0 1 397.475 3.717 20 5 GHBDMN COc1ccc(NC(=O)CN[C@H](c2ccccc2F)C(C)C)c([N+](=O)[O-])c1 ZINC000595685908 858647002 /nfs/dbraw/zinc/64/70/02/858647002.db2.gz KELDHQPZQCZHBP-IBGZPJMESA-N 0 1 375.400 3.668 20 5 GHBDMN COc1cccc([C@]2(C)CCN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)c1 ZINC000595762951 858662658 /nfs/dbraw/zinc/66/26/58/858662658.db2.gz CZMXYHUSEMHGHQ-OAQYLSRUSA-N 0 1 384.432 3.634 20 5 GHBDMN COc1c2ccccc2oc1CN[C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000474046686 858697253 /nfs/dbraw/zinc/69/72/53/858697253.db2.gz UMZBDYMEEKXIBX-CYBMUJFWSA-N 0 1 383.404 3.857 20 5 GHBDMN CCn1nccc1CNCc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000596062347 858768390 /nfs/dbraw/zinc/76/83/90/858768390.db2.gz PKOGQZLEEFWDLR-UHFFFAOYSA-N 0 1 396.447 3.689 20 5 GHBDMN CCN(CC)[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000466299922 859025402 /nfs/dbraw/zinc/02/54/02/859025402.db2.gz SLZFBOUIDVYXRN-GOSISDBHSA-N 0 1 375.856 3.948 20 5 GHBDMN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(C(F)(F)F)nc2C)cc1C ZINC000509378425 859233402 /nfs/dbraw/zinc/23/34/02/859233402.db2.gz KVCAEPNQYRMIJQ-UHFFFAOYSA-N 0 1 389.355 3.735 20 5 GHBDMN COc1ccc(C[C@@H](C)N2CCC(Oc3ncccc3C)CC2)c([N+](=O)[O-])c1 ZINC001170356260 881399539 /nfs/dbraw/zinc/39/95/39/881399539.db2.gz ZWGLNUPMDWDMDU-MRXNPFEDSA-N 0 1 385.464 3.781 20 5 GHBDMN C[C@H](Sc1nc(-c2ccccn2)n[nH]1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000117115849 859306637 /nfs/dbraw/zinc/30/66/37/859306637.db2.gz XPRSSSBOVAZWBW-JTQLQIEISA-N 0 1 395.404 3.678 20 5 GHBDMN COCCN(Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])[C@H]1CC[C@H](C)C1 ZINC000483409293 859343910 /nfs/dbraw/zinc/34/39/10/859343910.db2.gz ARCBBCKQJORWPW-JSGCOSHPSA-N 0 1 388.411 3.842 20 5 GHBDMN CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1cccc(F)c1)N(C)C ZINC000161083415 859567237 /nfs/dbraw/zinc/56/72/37/859567237.db2.gz KRTNWHIOJSWMPZ-QGZVFWFLSA-N 0 1 391.468 3.879 20 5 GHBDMN C[C@H](c1nc2ccccc2s1)N1CCN(Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000611252968 859664770 /nfs/dbraw/zinc/66/47/70/859664770.db2.gz ASEMSUXSHSWPSW-CQSZACIVSA-N 0 1 398.488 3.789 20 5 GHBDMN COc1cc(CN2CCCOC[C@@H]2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000611272421 859675919 /nfs/dbraw/zinc/67/59/19/859675919.db2.gz JSTAVJPUGDFBAO-INIZCTEOSA-N 0 1 386.448 3.793 20 5 GHBDMN COc1ccc(C[C@H](C)N2CCc3c(cnn3-c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001170347519 881471443 /nfs/dbraw/zinc/47/14/43/881471443.db2.gz RQJTWRSZSFBVOQ-INIZCTEOSA-N 0 1 392.459 3.778 20 5 GHBDMN CCn1ccnc1[C@@H]1OCC[C@H]1NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000922401134 859923924 /nfs/dbraw/zinc/92/39/24/859923924.db2.gz HSHKTZIXJBFRGT-VQIMIIECSA-N 0 1 382.420 3.691 20 5 GHBDMN CCCc1[nH]nc(C(=O)N2CC=C(c3ccc(OCC)cc3)CC2)c1[N+](=O)[O-] ZINC000091925677 859961025 /nfs/dbraw/zinc/96/10/25/859961025.db2.gz QGBRFYGBQJBMQZ-UHFFFAOYSA-N 0 1 384.436 3.599 20 5 GHBDMN O=C(Nc1ccc(OC(=O)c2cccc([N+](=O)[O-])c2O)cc1)c1ccccc1 ZINC000765466364 859981937 /nfs/dbraw/zinc/98/19/37/859981937.db2.gz SHZVOTFSCPWJQF-UHFFFAOYSA-N 0 1 378.340 3.772 20 5 GHBDMN Cc1c([C@H](C)NCc2cccc(C(=O)NC[C@H]3CCCO3)c2)cccc1[N+](=O)[O-] ZINC000154235018 860029318 /nfs/dbraw/zinc/02/93/18/860029318.db2.gz JWSCCOFSNPSBBD-QFBILLFUSA-N 0 1 397.475 3.663 20 5 GHBDMN COc1ccc(C[C@@H]2CCCN([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000555150800 860124889 /nfs/dbraw/zinc/12/48/89/860124889.db2.gz HGUILKVOLZZKMT-AEFFLSMTSA-N 0 1 397.475 3.885 20 5 GHBDMN Cc1c(NS(=O)(=O)c2cccc(OC(F)(F)F)c2)cccc1[N+](=O)[O-] ZINC000123878274 860127491 /nfs/dbraw/zinc/12/74/91/860127491.db2.gz JMJOFDPTUAEEIL-UHFFFAOYSA-N 0 1 376.312 3.603 20 5 GHBDMN CC(=O)NCc1ccc(CNCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000602705425 860221208 /nfs/dbraw/zinc/22/12/08/860221208.db2.gz LYBOPFNMCBPVNS-UHFFFAOYSA-N 0 1 381.354 3.540 20 5 GHBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@H](c2cccnc2)C1 ZINC000602852685 860314300 /nfs/dbraw/zinc/31/43/00/860314300.db2.gz GBNXWWMCTGBHBE-PBHICJAKSA-N 0 1 379.420 3.980 20 5 GHBDMN CC[C@]1(C(=O)[O-])CCC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000904399738 860404795 /nfs/dbraw/zinc/40/47/95/860404795.db2.gz AHQXVSHVEURBRJ-SFHVURJKSA-N 0 1 375.450 3.795 20 5 GHBDMN CN(Cc1cc(O)ccc1[N+](=O)[O-])[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000555315584 860439690 /nfs/dbraw/zinc/43/96/90/860439690.db2.gz LHEJVUFZZZBSJB-SJORKVTESA-N 0 1 383.231 3.697 20 5 GHBDMN NC(=O)c1ccc(CNC2(c3ccc(C(F)(F)F)cc3)CCC2)c([N+](=O)[O-])c1 ZINC000598643624 860471994 /nfs/dbraw/zinc/47/19/94/860471994.db2.gz PVWGUBGQASVGPL-UHFFFAOYSA-N 0 1 393.365 3.882 20 5 GHBDMN CCC[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(OC)cc1 ZINC000542665305 860474838 /nfs/dbraw/zinc/47/48/38/860474838.db2.gz BEYGDRDQHZVVRN-LJQANCHMSA-N 0 1 392.477 3.508 20 5 GHBDMN CCCCc1nc(C(=O)OCC)c(NC(=O)c2cc([N+](=O)[O-])c(C)cc2C)[nH]1 ZINC001127964816 860534334 /nfs/dbraw/zinc/53/43/34/860534334.db2.gz KVQVHKFLCHGGBG-UHFFFAOYSA-N 0 1 388.424 3.706 20 5 GHBDMN Cc1nn(CN2CCCN(c3ccc(C)cc3)CC2)c2cc([N+](=O)[O-])ccc12 ZINC000761287816 860567463 /nfs/dbraw/zinc/56/74/63/860567463.db2.gz HFTIHPNWOUYFRK-UHFFFAOYSA-N 0 1 379.464 3.731 20 5 GHBDMN COCCN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Cc1ccc(C)o1 ZINC000125138935 860591397 /nfs/dbraw/zinc/59/13/97/860591397.db2.gz YWFVHVDTTKWYJO-UHFFFAOYSA-N 0 1 385.420 3.842 20 5 GHBDMN C[C@@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1cccc(C(F)(F)F)c1 ZINC000126294815 861014726 /nfs/dbraw/zinc/01/47/26/861014726.db2.gz JINSJKODYPVYAA-GFCCVEGCSA-N 0 1 393.365 3.854 20 5 GHBDMN COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc2cn[nH]c2cc1C ZINC000481333830 861128255 /nfs/dbraw/zinc/12/82/55/861128255.db2.gz ABBJZNIMETXBHX-UHFFFAOYSA-N 0 1 386.433 3.770 20 5 GHBDMN Cc1cc2[nH]ncc2cc1NC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000481357627 861181373 /nfs/dbraw/zinc/18/13/73/861181373.db2.gz FACPJTLBRDPXNZ-UHFFFAOYSA-N 0 1 394.309 3.973 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C[NH+]2CCCCC2)c1 ZINC000444032368 863176188 /nfs/dbraw/zinc/17/61/88/863176188.db2.gz JZMJLNVQGLOEKH-UHFFFAOYSA-N 0 1 389.477 3.690 20 5 GHBDMN COc1c(C(=O)Nc2ccccc2-c2nnc(C(C)C)[nH]2)cccc1[N+](=O)[O-] ZINC000475119448 864219840 /nfs/dbraw/zinc/21/98/40/864219840.db2.gz NETLOCSVUOWGFM-UHFFFAOYSA-N 0 1 381.392 3.764 20 5 GHBDMN COc1ccc2oc([C@@H](C)NCC(=O)N(C)c3ccc([N+](=O)[O-])cc3)c(C)c2c1 ZINC000184342153 864357169 /nfs/dbraw/zinc/35/71/69/864357169.db2.gz GRLAQMDJTJPDDO-CQSZACIVSA-N 0 1 397.431 3.972 20 5 GHBDMN CC1CCN([C@@H](CNC(=O)c2cc(F)ccc2[N+](=O)[O-])c2cccs2)CC1 ZINC000063535263 864900959 /nfs/dbraw/zinc/90/09/59/864900959.db2.gz YONZFSBSDOUKBC-KRWDZBQOSA-N 0 1 391.468 3.998 20 5 GHBDMN O=C(Nc1ccc(C(=O)NC2CCCCC2)c(O)c1)c1ccc([N+](=O)[O-])s1 ZINC000444355119 865064392 /nfs/dbraw/zinc/06/43/92/865064392.db2.gz XIRSRIDCJMJVLN-UHFFFAOYSA-N 0 1 389.433 3.677 20 5 GHBDMN CC(C)CCN1Cc2cccc(NC(=O)COc3cccc([N+](=O)[O-])c3)c2C1 ZINC000609063545 866384475 /nfs/dbraw/zinc/38/44/75/866384475.db2.gz NQHWEQBIJGUJOO-UHFFFAOYSA-N 0 1 383.448 3.974 20 5 GHBDMN COC(=O)COc1ccc(CN(C)Cc2ccc(C(C)C)cc2)cc1[N+](=O)[O-] ZINC000475578962 866400077 /nfs/dbraw/zinc/40/00/77/866400077.db2.gz DZOULQDSJNFVHS-UHFFFAOYSA-N 0 1 386.448 3.902 20 5 GHBDMN C[C@H]1CN(Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)CC[C@H]1c1ccccc1 ZINC000742163303 867087408 /nfs/dbraw/zinc/08/74/08/867087408.db2.gz BLBOVEVQSAVOIV-OXJNMPFZSA-N 0 1 377.448 3.936 20 5 GHBDMN Cc1nc([C@@H](C)NC(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)n[nH]1 ZINC000553295022 867115567 /nfs/dbraw/zinc/11/55/67/867115567.db2.gz BTXVSHUWHICOMP-LLVKDONJSA-N 0 1 377.470 3.651 20 5 GHBDMN O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)Nc2ccc3c(c2)CCC3)c1 ZINC000742231613 867145977 /nfs/dbraw/zinc/14/59/77/867145977.db2.gz PTQYBCDXADMUSL-UHFFFAOYSA-N 0 1 397.250 3.647 20 5 GHBDMN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H](c1ccc(F)cc1)C(F)(F)F ZINC000479126234 867186819 /nfs/dbraw/zinc/18/68/19/867186819.db2.gz WXZMCXOOKKHZCJ-CQSZACIVSA-N 0 1 392.330 3.624 20 5 GHBDMN CN(C)[C@@H](CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)Cc1ccccc1 ZINC000444823872 867268519 /nfs/dbraw/zinc/26/85/19/867268519.db2.gz HBHIMYMIQFJCDR-GOSISDBHSA-N 0 1 399.494 3.584 20 5 GHBDMN COc1cccc(Cl)c1CN[C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000479299803 867544080 /nfs/dbraw/zinc/54/40/80/867544080.db2.gz ZTQQHBNINYSJLD-GFCCVEGCSA-N 0 1 377.828 3.764 20 5 GHBDMN COc1cc(CNc2cc(F)c(Br)c(F)c2)cc([N+](=O)[O-])c1O ZINC000508516855 867730664 /nfs/dbraw/zinc/73/06/64/867730664.db2.gz TWEYYSXBMAANFG-UHFFFAOYSA-N 0 1 389.152 3.962 20 5 GHBDMN Cc1nc([C@@H](C)NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000553636236 867805069 /nfs/dbraw/zinc/80/50/69/867805069.db2.gz PZJSASCFPQPWPZ-LLVKDONJSA-N 0 1 383.433 3.664 20 5 GHBDMN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(F)c(CN(C)C)c1 ZINC000523739008 867880420 /nfs/dbraw/zinc/88/04/20/867880420.db2.gz ZCFYGLYIOGFBOV-ZDUSSCGKSA-N 0 1 391.468 3.593 20 5 GHBDMN CCOc1cc(N2CCN(C)CC2)ccc1N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000743279586 868026216 /nfs/dbraw/zinc/02/62/16/868026216.db2.gz MIVPSKOKUQSGOX-MRXNPFEDSA-N 0 1 384.480 3.918 20 5 GHBDMN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C)N1CCc2ccccc2C1 ZINC000462416597 869399488 /nfs/dbraw/zinc/39/94/88/869399488.db2.gz KGTZLQLNAPIBIC-PKOBYXMFSA-N 0 1 395.503 3.727 20 5 GHBDMN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCc1ccc(CN(C)C)c(F)c1 ZINC000446229370 869574603 /nfs/dbraw/zinc/57/46/03/869574603.db2.gz WBJXBCMIRFQPSK-UHFFFAOYSA-N 0 1 379.819 3.687 20 5 GHBDMN COC(=O)C[C@H]1CSCCN1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000539816903 869845525 /nfs/dbraw/zinc/84/55/25/869845525.db2.gz DQBBSOFEGFHGFV-ZDUSSCGKSA-N 0 1 392.502 3.804 20 5 GHBDMN CC(C)CN(CCc1ccc(F)cc1)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000746065030 870006527 /nfs/dbraw/zinc/00/65/27/870006527.db2.gz UPJKHRCYPJNWJG-UHFFFAOYSA-N 0 1 399.264 3.851 20 5 GHBDMN Cc1ccc(NC(=O)c2ccc(N3CC[N@H+](C)[C@@H](C)[C@@H]3C)c([N+](=O)[O-])c2)cc1 ZINC000540026516 870238713 /nfs/dbraw/zinc/23/87/13/870238713.db2.gz GHRAKNOHWVHLPF-HOTGVXAUSA-N 0 1 382.464 3.684 20 5 GHBDMN Cc1ccc(NC(=O)c2ccc(N3CCN(C)[C@@H](C)[C@@H]3C)c([N+](=O)[O-])c2)cc1 ZINC000540026516 870238723 /nfs/dbraw/zinc/23/87/23/870238723.db2.gz GHRAKNOHWVHLPF-HOTGVXAUSA-N 0 1 382.464 3.684 20 5 GHBDMN CCOc1ccc([C@H](C)N[C@@H]2CC(=O)N(c3ccccc3F)C2)cc1[N+](=O)[O-] ZINC000462943959 870475451 /nfs/dbraw/zinc/47/54/51/870475451.db2.gz OHTPFECXDPKJPY-DZGCQCFKSA-N 0 1 387.411 3.589 20 5 GHBDMN CCc1c(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)[nH]nc1-c1ccncc1 ZINC000609109243 870624324 /nfs/dbraw/zinc/62/43/24/870624324.db2.gz JVHSTBLDKKXRHI-UHFFFAOYSA-N 0 1 390.403 3.536 20 5 GHBDMN O=C(c1cc(-c2ccccc2)[nH]n1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000461687398 870731454 /nfs/dbraw/zinc/73/14/54/870731454.db2.gz WJZZZEMZGKAIPO-LJQANCHMSA-N 0 1 380.429 3.873 20 5 GHBDMN Cc1ccc(C)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)c1 ZINC000446994243 870837309 /nfs/dbraw/zinc/83/73/09/870837309.db2.gz QKPUQLUGBSKGQT-UHFFFAOYSA-N 0 1 385.239 3.775 20 5 GHBDMN C[C@@H](C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000617736194 870839452 /nfs/dbraw/zinc/83/94/52/870839452.db2.gz MTBKZXAQRWDHFH-QZTJIDSGSA-N 0 1 381.476 3.821 20 5 GHBDMN Cc1cc(N2CCC(N3CCO[C@H](C)C3)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461775422 870922084 /nfs/dbraw/zinc/92/20/84/870922084.db2.gz JEOXCHRTDLDFBR-CYBMUJFWSA-N 0 1 387.402 3.612 20 5 GHBDMN CN(C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)[C@@H]1CCCN(C)C1 ZINC000525616198 871086223 /nfs/dbraw/zinc/08/62/23/871086223.db2.gz VHJZKNVPEJDKFE-MRXNPFEDSA-N 0 1 385.489 3.912 20 5 GHBDMN Cc1ccccc1C1CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC001169103578 871176903 /nfs/dbraw/zinc/17/69/03/871176903.db2.gz VWEMXGKBEZFBLN-OAQYLSRUSA-N 0 1 379.460 3.888 20 5 GHBDMN Cc1cccc(Oc2ccccc2CNS(=O)(=O)c2cccnc2[N+](=O)[O-])c1 ZINC000525703563 871234412 /nfs/dbraw/zinc/23/44/12/871234412.db2.gz YKZIKFOPULIOCI-UHFFFAOYSA-N 0 1 399.428 3.569 20 5 GHBDMN CC1(C)CC[C@H](NS(=O)(=O)c2ncccc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC001193997039 871453286 /nfs/dbraw/zinc/45/32/86/871453286.db2.gz GPDGHISGYFKLNZ-HOTGVXAUSA-N 0 1 389.477 3.631 20 5 GHBDMN Cc1ccc([C@H](C)NCC(=O)NCCc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000181835248 871537122 /nfs/dbraw/zinc/53/71/22/871537122.db2.gz LSMWRPNTKQODDL-AWEZNQCLSA-N 0 1 375.856 3.566 20 5 GHBDMN O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463439983 871803461 /nfs/dbraw/zinc/80/34/61/871803461.db2.gz MKMSEHICOUUBBW-HNNXBMFYSA-N 0 1 393.365 3.618 20 5 GHBDMN Cc1ccc(-c2cc(=NC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH][nH]2)o1 ZINC000447799239 872279854 /nfs/dbraw/zinc/27/98/54/872279854.db2.gz GSIXQBGHKQFSJU-UHFFFAOYSA-N 0 1 380.282 3.579 20 5 GHBDMN Cc1ccc(-c2n[nH]c(SCC(=O)OCc3csc([N+](=O)[O-])c3)n2)cc1 ZINC000767421786 872509044 /nfs/dbraw/zinc/50/90/44/872509044.db2.gz YYYDXGNUEYGIAD-UHFFFAOYSA-N 0 1 390.446 3.585 20 5 GHBDMN C[C@@H](C(=O)Nc1nc(-c2ccccc2Cl)n[nH]1)c1ccc([N+](=O)[O-])cc1F ZINC000182704931 872705514 /nfs/dbraw/zinc/70/55/14/872705514.db2.gz WTJVEWCSHANIFD-SECBINFHSA-N 0 1 389.774 3.915 20 5 GHBDMN CCOc1cc(N2CCN(c3cc[nH+]c4c([O-])cccc34)CC2)ccc1[N+](=O)[O-] ZINC000619502908 872706815 /nfs/dbraw/zinc/70/68/15/872706815.db2.gz WZDFZVBBEWITLO-UHFFFAOYSA-N 0 1 394.431 3.574 20 5 GHBDMN CN(C)c1cccc([C@@H]2CCCN2[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000448035785 872724863 /nfs/dbraw/zinc/72/48/63/872724863.db2.gz SIHZTXQAXLJZBT-SFTDATJTSA-N 0 1 394.475 3.603 20 5 GHBDMN C[C@H](N[C@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1)c1ccccc1[N+](=O)[O-] ZINC001195937432 872738707 /nfs/dbraw/zinc/73/87/07/872738707.db2.gz CLBYPOGNTITPNS-JSGCOSHPSA-N 0 1 393.365 3.766 20 5 GHBDMN C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)[C@@H](C)CN1Cc1ccccc1 ZINC001127247394 872788146 /nfs/dbraw/zinc/78/81/46/872788146.db2.gz WXAAHEBOJYYDNG-XKPGHWPRSA-N 0 1 393.487 3.820 20 5 GHBDMN CCc1ccc([C@@H](NC[C@@H](CO)Cc2ccco2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541544940 873805908 /nfs/dbraw/zinc/80/59/08/873805908.db2.gz ATIZYSFZXKTKSY-BTYIYWSLSA-N 0 1 384.432 3.873 20 5 GHBDMN C[C@@H](C(=O)OCCN(C)Cc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000769133195 873832784 /nfs/dbraw/zinc/83/27/84/873832784.db2.gz HTGMVNKJWAAPBF-CYBMUJFWSA-N 0 1 378.375 3.652 20 5 GHBDMN Cc1cc(C(=O)Nc2cc3cccnc3c3ncccc23)nn1-c1ccncc1 ZINC001197534285 873863816 /nfs/dbraw/zinc/86/38/16/873863816.db2.gz GFDONNIZMIJAOR-UHFFFAOYSA-N 0 1 380.411 3.924 20 5 GHBDMN COc1cc(CNCc2cccc([N+](=O)[O-])c2)cc(Br)c1OC ZINC000122443567 873881153 /nfs/dbraw/zinc/88/11/53/873881153.db2.gz YYKNGSYOLIOFEM-UHFFFAOYSA-N 0 1 381.226 3.664 20 5 GHBDMN Cc1cc(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)ccc1[N+](=O)[O-] ZINC000769673278 874225775 /nfs/dbraw/zinc/22/57/75/874225775.db2.gz OJKXZPAUMCYPKA-UHFFFAOYSA-N 0 1 385.785 3.574 20 5 GHBDMN Cc1nc2c(s1)[C@H](N(C)C(=O)c1cc(-c3ccc([N+](=O)[O-])cc3)[nH]n1)CCC2 ZINC000448958746 874286302 /nfs/dbraw/zinc/28/63/02/874286302.db2.gz ADOBSTTWDXBHLF-QGZVFWFLSA-N 0 1 397.460 3.899 20 5 GHBDMN Cc1ccn(-c2ccccc2NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)n1 ZINC000541804153 874320238 /nfs/dbraw/zinc/32/02/38/874320238.db2.gz CIXLAVALNCJCGX-UHFFFAOYSA-N 0 1 386.433 3.507 20 5 GHBDMN O=C(OCCc1ccccc1[N+](=O)[O-])c1ccc(-c2nnc(C3CC3)[nH]2)cc1 ZINC000770892069 874919727 /nfs/dbraw/zinc/91/97/27/874919727.db2.gz SVEGDCQJXDVYMG-UHFFFAOYSA-N 0 1 378.388 3.657 20 5 GHBDMN CC(=O)N1CC[C@@H](Nc2cc(C)nc3ccc([N+](=O)[O-])cc32)c2ccccc21 ZINC000542120420 875004267 /nfs/dbraw/zinc/00/42/67/875004267.db2.gz SVQGJHGHEIRLPZ-LJQANCHMSA-N 0 1 376.416 3.783 20 5 GHBDMN O=[N+]([O-])c1cc(CN[C@@H]2CCc3nc(-c4ccc(F)cc4F)cn3C2)cs1 ZINC000449547489 875028099 /nfs/dbraw/zinc/02/80/99/875028099.db2.gz IIOOJDSLZIXPTL-CYBMUJFWSA-N 0 1 390.415 3.903 20 5 GHBDMN Cc1cc(Cl)c(S(=O)(=O)Nc2cccc(N(C)C)c2C)cc1[N+](=O)[O-] ZINC000776091962 875328490 /nfs/dbraw/zinc/32/84/90/875328490.db2.gz QNVFKDMIYBTAJR-UHFFFAOYSA-N 0 1 383.857 3.732 20 5 GHBDMN COc1ccc(NC(=O)CCN2CCc3ccc(Cl)cc3C2)c([N+](=O)[O-])c1 ZINC000153108550 875788869 /nfs/dbraw/zinc/78/88/69/875788869.db2.gz GRNUQCWWJWZFPF-UHFFFAOYSA-N 0 1 389.839 3.644 20 5 GHBDMN Cc1cccc(OC(F)F)c1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000491719180 875917242 /nfs/dbraw/zinc/91/72/42/875917242.db2.gz IFZGYVGBNLTNPG-UHFFFAOYSA-N 0 1 386.376 3.922 20 5 GHBDMN O=[N+]([O-])c1ccc([C@H](O)CN2CCN(Cc3cccc4ccccc43)CC2)cc1 ZINC000776271578 876125481 /nfs/dbraw/zinc/12/54/81/876125481.db2.gz MGKGDXBOCQXRDE-HSZRJFAPSA-N 0 1 391.471 3.599 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000850429242 876913047 /nfs/dbraw/zinc/91/30/47/876913047.db2.gz WVCAZXZJTJKDMS-UONOGXRCSA-N 0 1 385.420 3.972 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCc1ccc(C(=O)N2CCCC2)cc1 ZINC000850430393 876914028 /nfs/dbraw/zinc/91/40/28/876914028.db2.gz ZSUGRWPOFKXEGN-HNNXBMFYSA-N 0 1 383.448 3.690 20 5 GHBDMN C[C@H]1C[C@H](c2cccnc2)N(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)C1 ZINC000450840054 876980430 /nfs/dbraw/zinc/98/04/30/876980430.db2.gz VWTWTWYGNBECQK-ORAYPTAESA-N 0 1 377.404 3.603 20 5 GHBDMN Cc1ccccc1CN1CCCN(C(=O)c2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000858443140 883098535 /nfs/dbraw/zinc/09/85/35/883098535.db2.gz GONQJIGCZPHKAY-UHFFFAOYSA-N 0 1 387.867 3.905 20 5 GHBDMN CC(C)(CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)N1CCc2ccccc2C1 ZINC000610039236 877321571 /nfs/dbraw/zinc/32/15/71/877321571.db2.gz XGDXRLKWXFSHEE-UHFFFAOYSA-N 0 1 395.503 3.826 20 5 GHBDMN C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000746696888 877487557 /nfs/dbraw/zinc/48/75/57/877487557.db2.gz AVLNBZFJULENAD-HNNXBMFYSA-N 0 1 387.867 3.985 20 5 GHBDMN CC(C)CCSc1ccc(C(=O)N[C@@H]2CCc3nc[nH]c3C2)cc1[N+](=O)[O-] ZINC000492793563 877572905 /nfs/dbraw/zinc/57/29/05/877572905.db2.gz PKPNDWVGQHSPFJ-CQSZACIVSA-N 0 1 388.493 3.743 20 5 GHBDMN O=[N+]([O-])c1ccc2c(c1)[C@H](NCCS(=O)(=O)c1ccc(Cl)cc1)CCC2 ZINC000192761387 877639480 /nfs/dbraw/zinc/63/94/80/877639480.db2.gz RDBSNUZPOAMUBO-GOSISDBHSA-N 0 1 394.880 3.689 20 5 GHBDMN CN(C)Cc1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1F ZINC000477436176 877649259 /nfs/dbraw/zinc/64/92/59/877649259.db2.gz KOTNBSXBAHMJOR-UHFFFAOYSA-N 0 1 399.344 3.744 20 5 GHBDMN Cc1c(C(=O)N[C@@H]2CCc3nc(C4CCCCC4)[nH]c3C2)cccc1[N+](=O)[O-] ZINC000788239008 877936137 /nfs/dbraw/zinc/93/61/37/877936137.db2.gz APBMWGDQWHLWDW-OAHLLOKOSA-N 0 1 382.464 3.961 20 5 GHBDMN O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H]1CCc2nc(C3CCCCC3)[nH]c2C1 ZINC000788248246 877952771 /nfs/dbraw/zinc/95/27/71/877952771.db2.gz PGHIEJYIBKPXCT-MRXNPFEDSA-N 0 1 382.464 3.582 20 5 GHBDMN O=C(Nc1cc(CC2CC2)nn1-c1ccccc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000477703327 878054891 /nfs/dbraw/zinc/05/48/91/878054891.db2.gz PDZZYPQRWPNWQZ-UHFFFAOYSA-N 0 1 378.388 3.691 20 5 GHBDMN Cc1noc(CN2CCCC[C@@H]2[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000852095200 878075228 /nfs/dbraw/zinc/07/52/28/878075228.db2.gz LLBYFPQIOAYKRR-HUUCEWRRSA-N 0 1 394.472 3.503 20 5 GHBDMN O=C(c1cc([N+](=O)[O-])ccc1SC1CCCC1)N1CCN2CCC1CC2 ZINC000615883932 878217416 /nfs/dbraw/zinc/21/74/16/878217416.db2.gz YPJIWQBEGZUNSM-UHFFFAOYSA-N 0 1 375.494 3.550 20 5 GHBDMN Cc1cc(C)c(N2CC[C@H](N[C@H](C)c3ccc(N)c([N+](=O)[O-])c3)C2=O)c(C)c1 ZINC000788775306 878336453 /nfs/dbraw/zinc/33/64/53/878336453.db2.gz HPQSRGZDKVXPCO-QAPCUYQASA-N 0 1 382.464 3.558 20 5 GHBDMN Cc1cccc(NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])c1F ZINC000180019257 878378302 /nfs/dbraw/zinc/37/83/02/878378302.db2.gz BOWIKVDZNOLSIC-UHFFFAOYSA-N 0 1 389.202 3.606 20 5 GHBDMN Cc1cc(C)c(N2CC[C@@H](NC/C=C/c3ccccc3[N+](=O)[O-])C2=O)c(C)c1 ZINC000788972811 878481651 /nfs/dbraw/zinc/48/16/51/878481651.db2.gz HEAQDFYCCVNRHL-ZLQZBKBYSA-N 0 1 379.460 3.928 20 5 GHBDMN Cc1cc(C)c(N2CC[C@H](NC/C=C/c3ccccc3[N+](=O)[O-])C2=O)c(C)c1 ZINC000788972808 878481706 /nfs/dbraw/zinc/48/17/06/878481706.db2.gz HEAQDFYCCVNRHL-FNQPIQQGSA-N 0 1 379.460 3.928 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC2(CCC2)[C@H]1c1ccco1 ZINC000451855886 878569339 /nfs/dbraw/zinc/56/93/39/878569339.db2.gz OWOXBAGKDRULEH-LJQANCHMSA-N 0 1 385.420 3.752 20 5 GHBDMN C[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc2c(c1)CCCO2 ZINC000852783173 878599566 /nfs/dbraw/zinc/59/95/66/878599566.db2.gz XGZOXWFPGVITOQ-LBPRGKRZSA-N 0 1 389.839 3.863 20 5 GHBDMN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCc1cccc(OC(C)(C)C)n1 ZINC000537945719 878601238 /nfs/dbraw/zinc/60/12/38/878601238.db2.gz WONNFHNLJCHQSK-AWEZNQCLSA-N 0 1 386.452 3.674 20 5 GHBDMN CC[C@H](N[C@H]1CCN(CCCc2ccccc2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000537946626 878604123 /nfs/dbraw/zinc/60/41/23/878604123.db2.gz MNJROSOGWVWQSG-SFTDATJTSA-N 0 1 381.476 3.869 20 5 GHBDMN CCOc1ccc([C@H](C)N[C@@H]2C[C@H](C)N(c3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000537986241 878628169 /nfs/dbraw/zinc/62/81/69/878628169.db2.gz HUEYYPWPJJKHEW-RLFYNMQTSA-N 0 1 383.448 3.838 20 5 GHBDMN CCOC(=O)[C@@]1(C)CCC[C@H]1NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000597237420 878787563 /nfs/dbraw/zinc/78/75/63/878787563.db2.gz BEPHVRBKSAVBGA-APWZRJJASA-N 0 1 389.477 3.930 20 5 GHBDMN O=[N+]([O-])c1ccc(CSc2nc(-c3ccccc3F)n[nH]2)c([N+](=O)[O-])c1 ZINC000789512935 879031745 /nfs/dbraw/zinc/03/17/45/879031745.db2.gz ITDXYXZYQFBKRM-UHFFFAOYSA-N 0 1 375.341 3.720 20 5 GHBDMN C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853497030 879063015 /nfs/dbraw/zinc/06/30/15/879063015.db2.gz OHHZYAHQYJXUKO-GDBMZVCRSA-N 0 1 381.411 3.828 20 5 GHBDMN O=C(NC[C@@H]1CCCN(c2ccc(C(F)(F)F)c([N+](=O)[O-])c2)C1)C(F)(F)F ZINC000853637067 879196076 /nfs/dbraw/zinc/19/60/76/879196076.db2.gz NEZOCPJXAZOOJM-VIFPVBQESA-N 0 1 399.291 3.509 20 5 GHBDMN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000761534047 879245099 /nfs/dbraw/zinc/24/50/99/879245099.db2.gz YZAJBFFNZLVLCY-TZMCWYRMSA-N 0 1 383.876 3.983 20 5 GHBDMN Cc1ccc(NC(=O)[C@H](N[C@@H]2CCC[C@@]2(C)CO)c2ccccc2)c([N+](=O)[O-])c1 ZINC000493442515 879438494 /nfs/dbraw/zinc/43/84/94/879438494.db2.gz MOPDZKARCAMAHK-SJBKTWHCSA-N 0 1 397.475 3.724 20 5 GHBDMN Cc1nn(CCC(=O)O[C@@H](C)c2nc3ccc(Cl)cc3[nH]2)c(C)c1[N+](=O)[O-] ZINC000111989324 879600952 /nfs/dbraw/zinc/60/09/52/879600952.db2.gz GYQHZDOCJNQDQP-NSHDSACASA-N 0 1 391.815 3.632 20 5 GHBDMN CSc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)cc1 ZINC000790384718 879656539 /nfs/dbraw/zinc/65/65/39/879656539.db2.gz QAYQNQKHIZPGCO-UHFFFAOYSA-N 0 1 397.434 3.643 20 5 GHBDMN Cc1cc([N+](=O)[O-])c(F)c(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)c1F ZINC000854308790 879710066 /nfs/dbraw/zinc/71/00/66/879710066.db2.gz HSVXVTUZTSQATD-INIZCTEOSA-N 0 1 389.402 3.748 20 5 GHBDMN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000494069005 879891809 /nfs/dbraw/zinc/89/18/09/879891809.db2.gz MALLAPNXMQBZPZ-YOEHRIQHSA-N 0 1 387.867 3.949 20 5 GHBDMN Cc1cc2[nH]ncc2cc1NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000791054351 880179860 /nfs/dbraw/zinc/17/98/60/880179860.db2.gz DDQCINFXPQALGW-UHFFFAOYSA-N 0 1 393.172 3.933 20 5 GHBDMN CC(C)(C)n1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)cn1 ZINC000791432516 880401754 /nfs/dbraw/zinc/40/17/54/880401754.db2.gz QHAWICJMFJQORG-UHFFFAOYSA-N 0 1 393.252 3.654 20 5 GHBDMN C[C@@H]1CC[C@@H](c2ccccc2)N(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC001170160758 880777603 /nfs/dbraw/zinc/77/76/03/880777603.db2.gz IQALTGRZKQHESZ-UZLBHIALSA-N 0 1 379.460 3.957 20 5 GHBDMN CCn1cc([C@@H](O)CN(Cc2ccccc2)Cc2cccc([N+](=O)[O-])c2C)cn1 ZINC000792363514 881057134 /nfs/dbraw/zinc/05/71/34/881057134.db2.gz AGRIOBVVHDBNJR-QFIPXVFZSA-N 0 1 394.475 3.855 20 5 GHBDMN O=C(CSc1ccc([N+](=O)[O-])cc1)NCc1nc2ccc(Cl)cc2[nH]1 ZINC000609493644 883257649 /nfs/dbraw/zinc/25/76/49/883257649.db2.gz WHDNTZDXKRJTNR-UHFFFAOYSA-N 0 1 376.825 3.533 20 5 GHBDMN Cc1c(C(=O)Nc2cc(Cl)c(O)cc2F)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000805259774 883723931 /nfs/dbraw/zinc/72/39/31/883723931.db2.gz VRTGLMXYRIOMNM-UHFFFAOYSA-N 0 1 383.719 3.870 20 5 GHBDMN Cc1ccc2nc(CNc3ncc([N+](=O)[O-])c(C)c3Br)[nH]c2c1 ZINC000542506419 883766024 /nfs/dbraw/zinc/76/60/24/883766024.db2.gz DDCPYUHQVPHBJN-UHFFFAOYSA-N 0 1 376.214 3.858 20 5 GHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(F)cc(NCC(F)(F)F)c2)cc1 ZINC000475796501 883934106 /nfs/dbraw/zinc/93/41/06/883934106.db2.gz KDKPURMWQUCARI-UHFFFAOYSA-N 0 1 393.318 3.509 20 5 GHBDMN CC1(N2CCOCC2)CCN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000859779260 884056501 /nfs/dbraw/zinc/05/65/01/884056501.db2.gz YVSHUWDABXWKLX-UHFFFAOYSA-N 0 1 388.295 3.588 20 5 GHBDMN C[C@H]1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000805788316 884071945 /nfs/dbraw/zinc/07/19/45/884071945.db2.gz KMECATYPZRPTCQ-BHDSKKPTSA-N 0 1 393.793 3.526 20 5 GHBDMN COC[C@@H](N[C@@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1)C(C)C ZINC000542520850 884148290 /nfs/dbraw/zinc/14/82/90/884148290.db2.gz HRKMMXUTJOQOOF-UYAOXDASSA-N 0 1 385.464 3.844 20 5 GHBDMN C[C@H](CNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000914571873 884177939 /nfs/dbraw/zinc/17/79/39/884177939.db2.gz OAESYBAZXISKTQ-SOIVGHGOSA-N 0 1 381.432 3.551 20 5 GHBDMN CCC[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)c1ccccn1 ZINC000795823597 912874848 /nfs/dbraw/zinc/87/48/48/912874848.db2.gz LWPNZXGIBQKFLO-CYBMUJFWSA-N 0 1 387.820 3.602 20 5 GHBDMN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-n1cccn1 ZINC000761887506 884921924 /nfs/dbraw/zinc/92/19/24/884921924.db2.gz NMKBATUOXNLKIP-UHFFFAOYSA-N 0 1 392.824 3.543 20 5 GHBDMN Cc1cc([N+](=O)[O-])c(C(=O)Nc2cccc(N3CCC[NH+]=C3[O-])c2)cc1Cl ZINC001126695417 884992629 /nfs/dbraw/zinc/99/26/29/884992629.db2.gz TVQPHRFIQOKKSY-UHFFFAOYSA-N 0 1 388.811 3.729 20 5 GHBDMN Cc1cc(-c2noc(CCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])n2)cc2nc[nH]c21 ZINC000762174918 885560373 /nfs/dbraw/zinc/56/03/73/885560373.db2.gz BFLZJFVADQIRIT-UHFFFAOYSA-N 0 1 394.347 3.523 20 5 GHBDMN CC(C)(C)c1nc2ccc(NC(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)cc2[nH]1 ZINC000032273048 885584631 /nfs/dbraw/zinc/58/46/31/885584631.db2.gz UQBDDBWKYPPWLU-UHFFFAOYSA-N 0 1 378.392 3.897 20 5 GHBDMN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])NC[C@H]1CCN1Cc1ccccc1 ZINC001131287552 886327588 /nfs/dbraw/zinc/32/75/88/886327588.db2.gz KSJRGUOEOUOKIT-MRXNPFEDSA-N 0 1 387.867 3.572 20 5 GHBDMN CC(C)[C@H](CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC000272565305 887770516 /nfs/dbraw/zinc/77/05/16/887770516.db2.gz UUOYUMIXQVIHDA-PMACEKPBSA-N 0 1 379.464 3.842 20 5 GHBDMN O=C(Nc1ccc(OC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1)c1ccccc1 ZINC000794846930 888403492 /nfs/dbraw/zinc/40/34/92/888403492.db2.gz LXFJVCGPTDPYNG-UHFFFAOYSA-N 0 1 378.340 3.772 20 5 GHBDMN Cc1ccc(CNCc2cc3ccccc3nc2N2CCOCC2)cc1[N+](=O)[O-] ZINC000865786198 888574066 /nfs/dbraw/zinc/57/40/66/888574066.db2.gz FFMBYEJYLDDCSP-UHFFFAOYSA-N 0 1 392.459 3.578 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N2CCCC[C@H]2c2nc3ccccc3n2C)c1[N+](=O)[O-] ZINC000533235004 890076231 /nfs/dbraw/zinc/07/62/31/890076231.db2.gz QDKKYWMZBLPBTR-HNNXBMFYSA-N 0 1 396.451 3.695 20 5 GHBDMN CC[C@H](NCc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1OCC(=O)NC ZINC000916836233 890272258 /nfs/dbraw/zinc/27/22/58/890272258.db2.gz GFLDTFNHZUDZOH-INIZCTEOSA-N 0 1 391.855 3.614 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000812763113 890914061 /nfs/dbraw/zinc/91/40/61/890914061.db2.gz PFDDHWXGMRNFDI-FQEVSTJZSA-N 0 1 375.469 3.879 20 5 GHBDMN Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000192497203 892599297 /nfs/dbraw/zinc/59/92/97/892599297.db2.gz SYTWQZKLTWSWEJ-INIZCTEOSA-N 0 1 395.381 3.955 20 5 GHBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@H](Cc2nccs2)C1 ZINC000934335509 893553878 /nfs/dbraw/zinc/55/38/78/893553878.db2.gz IRBUMQADYWCSRD-CHWSQXEVSA-N 0 1 385.449 3.727 20 5 GHBDMN CO[C@@]1(C)CCCN(Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CC1 ZINC000878540072 894371841 /nfs/dbraw/zinc/37/18/41/894371841.db2.gz FLZWFQBTTVQUII-KRWDZBQOSA-N 0 1 380.832 3.689 20 5 GHBDMN O=C(c1ccc(CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1)N1CCCCC1 ZINC000564225668 894741336 /nfs/dbraw/zinc/74/13/36/894741336.db2.gz KWXLAHPDKNTYHB-HXUWFJFHSA-N 0 1 379.460 3.998 20 5 GHBDMN Cc1ccc(C(=O)Nc2ccc3oc(CN4CCCC4)nc3c2)cc1[N+](=O)[O-] ZINC000816766862 895043763 /nfs/dbraw/zinc/04/37/63/895043763.db2.gz IYMALJIYKISSIM-UHFFFAOYSA-N 0 1 380.404 3.893 20 5 GHBDMN Cc1ccc2nc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3Br)[nH]c2c1 ZINC000817017481 895262811 /nfs/dbraw/zinc/26/28/11/895262811.db2.gz POTBUCNNGMAZRP-UHFFFAOYSA-N 0 1 393.172 3.933 20 5 GHBDMN Cc1nc2ccccc2n1C[C@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000774911231 914012896 /nfs/dbraw/zinc/01/28/96/914012896.db2.gz XBKQVFVHQBYFDI-QGZVFWFLSA-N 0 1 395.419 3.826 20 5 GHBDMN O=[N+]([O-])c1ccc([C@H](O)CNCc2cc(F)c(C(F)(F)F)cc2F)cc1 ZINC000819313131 896605044 /nfs/dbraw/zinc/60/50/44/896605044.db2.gz XUXLJRVEKVOQEW-OAHLLOKOSA-N 0 1 376.281 3.715 20 5 GHBDMN C[C@@H](C[N@@H+](C)Cc1ccc(Br)c([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC001170959999 897800109 /nfs/dbraw/zinc/80/01/09/897800109.db2.gz SPHGBYWXCMAPLO-NSHDSACASA-N 0 1 387.274 3.767 20 5 GHBDMN O=C(NC[C@H](c1ccco1)N1CCCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000043343062 898477477 /nfs/dbraw/zinc/47/74/77/898477477.db2.gz CPJMJXOOTJQECO-OAHLLOKOSA-N 0 1 378.816 3.800 20 5 GHBDMN Cc1nc([C@@H](C)NC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)n[nH]1 ZINC000569756472 898930712 /nfs/dbraw/zinc/93/07/12/898930712.db2.gz ISZCWOGKABDMAK-LLVKDONJSA-N 0 1 383.433 3.664 20 5 GHBDMN Cc1[nH]nc(C(=O)N2C[C@@H](C)C[C@@H]2c2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-] ZINC000331537508 898965151 /nfs/dbraw/zinc/96/51/51/898965151.db2.gz HMKZAGSHZGXAQH-TVQRCGJNSA-N 0 1 382.342 3.868 20 5 GHBDMN Cc1c(F)cccc1S(=O)(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000570668485 899491950 /nfs/dbraw/zinc/49/19/50/899491950.db2.gz ZIVVEFRTXSGWDR-UHFFFAOYSA-N 0 1 389.202 3.606 20 5 GHBDMN CCC(=O)c1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)c1 ZINC000135394075 900233294 /nfs/dbraw/zinc/23/32/94/900233294.db2.gz MWWBRGVZFMLLNH-UHFFFAOYSA-N 0 1 382.825 3.950 20 5 GHBDMN Cc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)N2CCCC2)o1 ZINC000136807516 900757480 /nfs/dbraw/zinc/75/74/80/900757480.db2.gz XXYVGSDWJDTTRX-MRXNPFEDSA-N 0 1 377.828 3.717 20 5 GHBDMN CCn1c(C)nc([N+](=O)[O-])c1NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000575017661 901090253 /nfs/dbraw/zinc/09/02/53/901090253.db2.gz AHSYPSUAGBLYGE-UHFFFAOYSA-N 0 1 377.876 3.850 20 5 GHBDMN C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000577377317 902725348 /nfs/dbraw/zinc/72/53/48/902725348.db2.gz GXYIGILSOFNKED-CQSZACIVSA-N 0 1 384.436 3.675 20 5 GHBDMN O=[N+]([O-])c1cccc2c1CC[C@H]2N[C@@H](CO)c1cccc(Br)c1 ZINC000578378891 903782172 /nfs/dbraw/zinc/78/21/72/903782172.db2.gz SFEXWPNWWFCGHJ-CVEARBPZSA-N 0 1 377.238 3.668 20 5 GHBDMN CC[C@H](C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])N(C)Cc1ccccc1 ZINC000578735706 904090045 /nfs/dbraw/zinc/09/00/45/904090045.db2.gz XYXRAQDMMDIUJE-GOSISDBHSA-N 0 1 389.883 3.818 20 5 GHBDMN Cc1cnc2c(c1)CN(C1CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC1)CC2 ZINC001173019972 906096420 /nfs/dbraw/zinc/09/64/20/906096420.db2.gz NLNGBDVOCDLUPJ-UHFFFAOYSA-N 0 1 388.418 3.604 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2C[C@@H]3C[C@H]2CN3Cc2ccccc2)c1F ZINC001173190739 906272002 /nfs/dbraw/zinc/27/20/02/906272002.db2.gz WKWKQXSQJFTYBG-SZMVWBNQSA-N 0 1 399.466 3.632 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CC[C@@H](Oc3ccncc3C)C2)c1F ZINC001173193949 906279572 /nfs/dbraw/zinc/27/95/72/906279572.db2.gz SDIYZRSURDDKEH-LSDHHAIUSA-N 0 1 389.427 3.530 20 5 GHBDMN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCc2onc(COc3cccnc3)c2C1 ZINC001173225325 906308074 /nfs/dbraw/zinc/30/80/74/906308074.db2.gz JGPFGVQBNRKMPH-OAHLLOKOSA-N 0 1 394.431 3.546 20 5 GHBDMN COc1ccc(OC)c(NC(=O)[C@@H](C)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000178689630 906371994 /nfs/dbraw/zinc/37/19/94/906371994.db2.gz RQUQYHUGUUKDAU-UONOGXRCSA-N 0 1 387.436 3.598 20 5 GHBDMN O=C(CN[C@@H]1CCCc2c(O)cccc21)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000192363379 907604459 /nfs/dbraw/zinc/60/44/59/907604459.db2.gz QGNJWMINJFYFAI-OAHLLOKOSA-N 0 1 375.812 3.560 20 5 GHBDMN O=C1CCCN1Cc1ccccc1CN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192653836 908810678 /nfs/dbraw/zinc/81/06/78/908810678.db2.gz QHJBOBQHSRJIEW-OAQYLSRUSA-N 0 1 379.460 3.884 20 5 GHBDMN CC(C)c1nnc(-c2ccccc2NC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])[nH]1 ZINC000269399462 910251825 /nfs/dbraw/zinc/25/18/25/910251825.db2.gz NNPSDPGQUFNGMB-UHFFFAOYSA-N 0 1 383.412 3.602 20 5 GHBDMN C[C@@H](NCc1ccc(Br)c([N+](=O)[O-])c1)c1ccc([S@@](C)=O)cc1 ZINC000270136854 910455215 /nfs/dbraw/zinc/45/52/15/910455215.db2.gz QKCIBYKGOWEIHR-QVQLBTGDSA-N 0 1 397.294 3.946 20 5 GHBDMN C[C@H](NCc1cc([N+](=O)[O-])ccc1Cl)c1cccc(N2CCOCC2)c1 ZINC000271503390 910931686 /nfs/dbraw/zinc/93/16/86/910931686.db2.gz NPITUHCPTNTJKZ-AWEZNQCLSA-N 0 1 375.856 3.936 20 5 GHBDMN Cc1cc(N2CC[C@]3(C2)CN(Cc2ccccc2)C[C@H](C)O3)c(F)cc1[N+](=O)[O-] ZINC001187429930 915286260 /nfs/dbraw/zinc/28/62/60/915286260.db2.gz GLJKYLKWYMJWOG-HTAPYJJXSA-N 0 1 399.466 3.912 20 5 GHBDMN C[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1OCCc2sccc21 ZINC000292533481 915728886 /nfs/dbraw/zinc/72/88/86/915728886.db2.gz XELSYEGIFZSXOT-QGHHPUGFSA-N 0 1 395.868 3.540 20 5 GHBDMN COc1cc([C@H](C)N[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc(OC)c1OC ZINC000293832235 916407914 /nfs/dbraw/zinc/40/79/14/916407914.db2.gz SKQMDTCBBQUBAE-NEPJUHHUSA-N 0 1 375.425 3.615 20 5 GHBDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])n[nH]1 ZINC000295605373 917378026 /nfs/dbraw/zinc/37/80/26/917378026.db2.gz CTEJBVOOGALESV-DTWKUNHWSA-N 0 1 385.346 3.736 20 5 GHBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC2(CCC(O)CC2)CC1 ZINC000295802329 917508195 /nfs/dbraw/zinc/50/81/95/917508195.db2.gz WEJRHSBXVCMEFE-AWEZNQCLSA-N 0 1 386.452 3.723 20 5 GHBDMN Cc1cc(F)cc2c1CN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CC2 ZINC000800471128 920144688 /nfs/dbraw/zinc/14/46/88/920144688.db2.gz PBYBEBDJPMOEJE-UHFFFAOYSA-N 0 1 375.375 3.568 20 5 GHBDMN CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3cc([O-])ccc3[N+](=O)[O-])C2)C1 ZINC000802660784 922319829 /nfs/dbraw/zinc/31/98/29/922319829.db2.gz WGXUGGCPZLXAHK-FQEVSTJZSA-N 0 1 391.468 3.523 20 5 GHBDMN C[C@H](NCC1(OCCO)CCC(C(F)F)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000903264104 922891667 /nfs/dbraw/zinc/89/16/67/922891667.db2.gz QAYSORJKJJRPCP-ZVLZOBCMSA-N 0 1 390.402 3.588 20 5 GHBDMN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(OC3CCCC3)nc2)ccc1Cl ZINC000726931717 926938981 /nfs/dbraw/zinc/93/89/81/926938981.db2.gz YPJODLJJRMYHMB-UHFFFAOYSA-N 0 1 397.840 3.765 20 5 GHBDMN C[C@@H](N[C@@H]1CCc2ccccc2OC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000374627007 927353519 /nfs/dbraw/zinc/35/35/19/927353519.db2.gz OATMTHOOPHLCRS-CZUORRHYSA-N 0 1 380.404 3.689 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2noc(CN3CCCC[C@H]3[C@@H](O)c3ccccc3)n2)c1 ZINC000750608416 927746627 /nfs/dbraw/zinc/74/66/27/927746627.db2.gz GMYJDCNABVPLSH-ICSRJNTNSA-N 0 1 394.431 3.733 20 5 GHBDMN C[C@@H]1[C@H](c2ccccc2)CCN1CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000752793583 929024065 /nfs/dbraw/zinc/02/40/65/929024065.db2.gz OZABFDQGFDZWPH-SJLPKXTDSA-N 0 1 380.448 3.672 20 5 GHBDMN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1cn[nH]c1 ZINC000753521286 929387652 /nfs/dbraw/zinc/38/76/52/929387652.db2.gz LHVVSTBZXXRMHQ-UHFFFAOYSA-N 0 1 392.824 3.748 20 5 GHBDMN CN(C)[C@@H]1CCOc2c(NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)cccc21 ZINC000469351160 929812410 /nfs/dbraw/zinc/81/24/10/929812410.db2.gz MQIHEXUEKQGBHE-MRXNPFEDSA-N 0 1 375.812 3.886 20 5 GHBDMN O=[N+]([O-])c1ccc2nc(NC[C@H]3CN(Cc4ccccc4)CCCO3)sc2c1 ZINC000758134956 929938421 /nfs/dbraw/zinc/93/84/21/929938421.db2.gz LXZUPWRZWGEOFW-KRWDZBQOSA-N 0 1 398.488 3.908 20 5 GHBDMN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)c1 ZINC000758408353 930036818 /nfs/dbraw/zinc/03/68/18/930036818.db2.gz SYRMLVVLQHABIL-UHFFFAOYSA-N 0 1 379.394 3.537 20 5 GHBDMN CN(C)Cc1cc(-c2noc(-c3c[nH]c4cc([N+](=O)[O-])ccc43)n2)ccc1F ZINC000547161649 930750442 /nfs/dbraw/zinc/75/04/42/930750442.db2.gz JCVRFLINKLBALN-UHFFFAOYSA-N 0 1 381.367 3.994 20 5 GHBDMN CCN(CC)[C@@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)c1ccco1 ZINC000547289871 930885527 /nfs/dbraw/zinc/88/55/27/930885527.db2.gz ZFQKSKRIRFBAPA-KRWDZBQOSA-N 0 1 391.443 3.804 20 5 GHBDMN Cc1cc(N2CCC([C@](C)(O)C(F)(F)F)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000547341939 930933369 /nfs/dbraw/zinc/93/33/69/930933369.db2.gz JCCDTPKGUUPEEJ-KRWDZBQOSA-N 0 1 383.370 3.981 20 5 GHBDMN COc1ccc(CN[C@H]2CCCc3ncc(Br)cc32)cc1[N+](=O)[O-] ZINC000924842073 931560100 /nfs/dbraw/zinc/56/01/00/931560100.db2.gz OXOKMSAIHZAMNJ-AWEZNQCLSA-N 0 1 392.253 3.928 20 5 GHBDMN Cc1[nH]nc(C(=O)N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)c1[N+](=O)[O-] ZINC000558012694 931800623 /nfs/dbraw/zinc/80/06/23/931800623.db2.gz PVIRDIURLALRHR-UHFFFAOYSA-N 0 1 398.341 3.545 20 5 GHBDMN O=[N+]([O-])c1ccc(CN2CC[C@@H](O)[C@H](C3CCCC3)C2)c(Br)c1 ZINC001117867850 934057909 /nfs/dbraw/zinc/05/79/09/934057909.db2.gz IBIYPYAOAMFPHZ-DOTOQJQBSA-N 0 1 383.286 3.730 20 5 GHBDMN Cc1ccc(N2CCCN(Cn3cc(-c4cccc([N+](=O)[O-])c4)cn3)CC2)cc1 ZINC000777954059 934367475 /nfs/dbraw/zinc/36/74/75/934367475.db2.gz PZWFZOICYXQNKO-UHFFFAOYSA-N 0 1 391.475 3.937 20 5 GHBDMN O=C(NC1CCN(Cc2ccc(F)cc2)CC1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001119767383 934393395 /nfs/dbraw/zinc/39/33/95/934393395.db2.gz VHCZPHPTYDPFEP-RTWAWAEBSA-N 0 1 397.450 3.618 20 5 GHBDMN CCC[N@@H+](Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])[C@H](C)CC(=O)Nc1ccccc1 ZINC001595885748 982908936 /nfs/dbraw/zinc/90/89/36/982908936.db2.gz DVICSVOXTVUUBO-OAHLLOKOSA-N 0 1 399.447 3.922 20 5 GHBDMN COc1cccc(NC(=O)C[C@@H](C)NCc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000468032420 1015169291 /nfs/dbraw/zinc/16/92/91/1015169291.db2.gz WWZPQXQXSFZFHF-GFCCVEGCSA-N 0 1 377.828 3.764 20 5 GHBDMN C[C@@H]([NH2+][C@@H](C(=O)[O-])c1ccccc1Br)c1ccc([N+](=O)[O-])cc1 ZINC001599841007 988830486 /nfs/dbraw/zinc/83/04/86/988830486.db2.gz FKMBSJSLXMZUOC-MEBBXXQBSA-N 0 1 379.210 3.834 20 5 GHBDMN CCn1cc(NC(=O)[C@@H](N)Cc2c3ccccc3cc3ccccc32)ccc1=O ZINC001221177051 1032317843 /nfs/dbraw/zinc/31/78/43/1032317843.db2.gz ZLLHVXDCJYZKAN-QFIPXVFZSA-N 0 1 385.467 3.683 20 5 GHBDMN C[C@@H](c1ccccn1)N1CC[C@@H](Oc2ncnc3cc(Cl)c([N+](=O)[O-])cc32)C1 ZINC001227366154 1032390427 /nfs/dbraw/zinc/39/04/27/1032390427.db2.gz KRYYJFDSIOIKCO-QWHCGFSZSA-N 0 1 399.838 3.801 20 5 GHBDMN O=[N+]([O-])c1ccc2[n-]c(O[C@@H]3CC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]34)nc2c1 ZINC001227742637 1032539317 /nfs/dbraw/zinc/53/93/17/1032539317.db2.gz CGIUIJGMSSSWAP-OXFYSEKESA-N 0 1 378.432 3.761 20 5 GHBDMN O=[N+]([O-])c1ccc2[n-]c(O[C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]34)nc2c1 ZINC001227742637 1032539323 /nfs/dbraw/zinc/53/93/23/1032539323.db2.gz CGIUIJGMSSSWAP-OXFYSEKESA-N 0 1 378.432 3.761 20 5 GHBDMN CN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@H](CCc1ccccc1)C(F)F ZINC000600793303 1020258630 /nfs/dbraw/zinc/25/86/30/1020258630.db2.gz NBZVNSGAEXIVKU-MRXNPFEDSA-N 0 1 388.374 3.810 20 5 GHBDMN C[C@@H](N[C@H]1CCCc2c(O)cccc21)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000192354090 1020865468 /nfs/dbraw/zinc/86/54/68/1020865468.db2.gz NBYMSBFJNRAHOW-BZNIZROVSA-N 0 1 389.839 3.948 20 5 GHBDMN COc1ccc(CN2CCCC[C@H]2CN(C)c2ncc([N+](=O)[O-])cc2F)cc1 ZINC001156294602 1032964510 /nfs/dbraw/zinc/96/45/10/1032964510.db2.gz RCSAYHGKBVCLSU-INIZCTEOSA-N 0 1 388.443 3.628 20 5 GHBDMN O=C([O-])[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000901788246 1021447260 /nfs/dbraw/zinc/44/72/60/1021447260.db2.gz UKKRQYMDPHILJY-INIZCTEOSA-N 0 1 384.310 3.694 20 5 GHBDMN O=C([O-])c1cnc(C2CC[NH+](Cc3cc(Cl)ccc3[N+](=O)[O-])CC2)s1 ZINC000901931292 1021464812 /nfs/dbraw/zinc/46/48/12/1021464812.db2.gz LASRNWZQGREBQT-UHFFFAOYSA-N 0 1 381.841 3.783 20 5 GHBDMN CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1Oc1nc(C2CC2)[n-]c(=O)c1[N+](=O)[O-] ZINC001228604521 1033002298 /nfs/dbraw/zinc/00/22/98/1033002298.db2.gz TVTLSTRYZNWGEJ-MRXNPFEDSA-N 0 1 398.463 3.647 20 5 GHBDMN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(CN(C)C)c(F)c1 ZINC000749154181 1021760377 /nfs/dbraw/zinc/76/03/77/1021760377.db2.gz VWGHJHHAVUBAEL-LBPRGKRZSA-N 0 1 377.441 3.915 20 5 GHBDMN O=c1[nH]c(C2CC2)nc(O[C@H]2CCc3ccc(Br)cc32)c1[N+](=O)[O-] ZINC001228603494 1033002497 /nfs/dbraw/zinc/00/24/97/1033002497.db2.gz KVLFRYGAZDKHHO-LBPRGKRZSA-N 0 1 392.209 3.797 20 5 GHBDMN Cc1ccc2nc([C@@H]3CCCN(C(=O)c4cc([N+](=O)[O-])ccc4F)C3)[nH]c2c1 ZINC000830900410 1024229534 /nfs/dbraw/zinc/22/95/34/1024229534.db2.gz XJESRBJVUJBJSM-CYBMUJFWSA-N 0 1 382.395 3.938 20 5 GHBDMN COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1O[C@H]1CCN(Cc2ccccc2)C1 ZINC001228964393 1033203564 /nfs/dbraw/zinc/20/35/64/1033203564.db2.gz WCTDDAKJLVXWES-HNNXBMFYSA-N 0 1 390.823 3.688 20 5 GHBDMN Cc1cc(Cl)c(C(=O)N(C)CCCN(C)Cc2ccco2)cc1[N+](=O)[O-] ZINC000831958855 1025062012 /nfs/dbraw/zinc/06/20/12/1025062012.db2.gz ADZLAYIMFVPYNW-UHFFFAOYSA-N 0 1 379.844 3.744 20 5 GHBDMN Cc1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2N2CCN(C)CC2)cc1Cl ZINC000839223080 1025738841 /nfs/dbraw/zinc/73/88/41/1025738841.db2.gz KNIUQXJMWXLPJS-UHFFFAOYSA-N 0 1 388.855 3.561 20 5 GHBDMN O=C(Nc1ccn(-c2ccccc2C(F)(F)F)n1)c1cc(O)cc([N+](=O)[O-])c1 ZINC001162436161 1025747923 /nfs/dbraw/zinc/74/79/23/1025747923.db2.gz ZTAWOZOGEODTOS-UHFFFAOYSA-N 0 1 392.293 3.757 20 5 GHBDMN O=[N+]([O-])c1ccc(Cl)cc1CN[C@@H](c1ccccc1)C1(CO)CCOCC1 ZINC000839653919 1026174035 /nfs/dbraw/zinc/17/40/35/1026174035.db2.gz AAAZHIHVIIKVJH-IBGZPJMESA-N 0 1 390.867 3.868 20 5 GHBDMN CC(C)c1nc(CC2CCN(C(=O)C(C)(C)c3ccccc3[N+](=O)[O-])CC2)n[nH]1 ZINC001164362373 1026495233 /nfs/dbraw/zinc/49/52/33/1026495233.db2.gz KCVQJIKUHDXBQH-UHFFFAOYSA-N 0 1 399.495 3.595 20 5 GHBDMN CC(C)c1nnc(CC2CCN(C(=O)C(C)(C)c3ccccc3[N+](=O)[O-])CC2)[nH]1 ZINC001164362373 1026495240 /nfs/dbraw/zinc/49/52/40/1026495240.db2.gz KCVQJIKUHDXBQH-UHFFFAOYSA-N 0 1 399.495 3.595 20 5 GHBDMN Cc1ccc(C)c(NC(=O)Nc2cc(N3CCN(C)CC3)ccc2[N+](=O)[O-])c1 ZINC001209697563 1027098056 /nfs/dbraw/zinc/09/80/56/1027098056.db2.gz ZMMVFLKFWOXBCU-UHFFFAOYSA-N 0 1 383.452 3.607 20 5 GHBDMN CC[C@H](NC(=O)NC[C@@H](c1cccs1)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000175546046 1028140221 /nfs/dbraw/zinc/14/02/21/1028140221.db2.gz BYQMASAYZSNNNJ-HOTGVXAUSA-N 0 1 376.482 3.710 20 5 GHBDMN O=C(O[C@@H](CC(F)(F)F)c1ccc(Br)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC000841111874 1028152671 /nfs/dbraw/zinc/15/26/71/1028152671.db2.gz ISZHGNNLBNXAMQ-MXWKQRLJSA-N 0 1 382.132 3.651 20 5 GHBDMN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@H]1c2ccccc2CC[C@H]1F ZINC001213507421 1028231996 /nfs/dbraw/zinc/23/19/96/1028231996.db2.gz RHTQYLUHZHDEHR-HIFRSBDPSA-N 0 1 384.816 3.552 20 5 GHBDMN CC[C@@H](N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)c1cccc([N+](=O)[O-])c1 ZINC000178677848 1028611429 /nfs/dbraw/zinc/61/14/29/1028611429.db2.gz LKQKQGOFEXLDIR-CZUORRHYSA-N 0 1 386.408 3.879 20 5 GHBDMN COc1cc([N+](=O)[O-])c(-c2nc(-c3cc(F)c(Cl)c(F)c3)no2)cc1O ZINC001216343589 1029609532 /nfs/dbraw/zinc/60/95/32/1029609532.db2.gz LUJMOYOSCWGKBF-UHFFFAOYSA-N 0 1 383.694 3.958 20 5 GHBDMN COc1cc(-c2noc(-c3cc(O)cc([N+](=O)[O-])c3)n2)ccc1Br ZINC001216924594 1030006012 /nfs/dbraw/zinc/00/60/12/1030006012.db2.gz RTQAJQAQKCCPLE-UHFFFAOYSA-N 0 1 392.165 3.789 20 5 GHBDMN C[C@H](c1ccccn1)N1CCC[C@H](OCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC001222931589 1030356064 /nfs/dbraw/zinc/35/60/64/1030356064.db2.gz LHPLZMGEIKULOA-ZBFHGGJFSA-N 0 1 382.420 3.873 20 5 GHBDMN COC(=O)c1cc(CO[C@@H]2CCCN([C@H](C)c3ccccn3)C2)cc([N+](=O)[O-])c1 ZINC001223692219 1030707526 /nfs/dbraw/zinc/70/75/26/1030707526.db2.gz ZGWRNDYTBXIAGT-DNVCBOLYSA-N 0 1 399.447 3.519 20 5 GHBDMN CC(C)(Oc1cc(O)ccc1[N+](=O)[O-])[C@H]1Cc2cc3ccc(=O)oc3cc2O1 ZINC001225491576 1031438426 /nfs/dbraw/zinc/43/84/26/1031438426.db2.gz RBCBMPQQPODCMG-GOSISDBHSA-N 0 1 383.356 3.568 20 5 GHBDMN CCCCOC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c2ccccc2cc2ccccc21 ZINC001220049483 1031756292 /nfs/dbraw/zinc/75/62/92/1031756292.db2.gz JZEZCFXWSMTKGA-AOMKIAJQSA-N 0 1 392.499 3.711 20 5 GHBDMN C[C@@H](c1ccccn1)N1CCC[C@@H](Oc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC001226441506 1031961718 /nfs/dbraw/zinc/96/17/18/1031961718.db2.gz RAANLVQNHRHNGX-GOEBONIOSA-N 0 1 379.420 3.537 20 5 GHBDMN C[C@@H](c1ccccn1)N1CCC[C@@H](Oc2ncnc3cc([N+](=O)[O-])ccc32)C1 ZINC001229400972 1033458286 /nfs/dbraw/zinc/45/82/86/1033458286.db2.gz BQWGFZZXACXYBG-GOEBONIOSA-N 0 1 379.420 3.537 20 5 GHBDMN O=[N+]([O-])c1ccc(O[C@H]2CC[C@@H](N3CCOCC3)CC2)c(Cl)c1Cl ZINC001230038777 1033861564 /nfs/dbraw/zinc/86/15/64/1033861564.db2.gz IBOVADXUEXRPPI-TXEJJXNPSA-N 0 1 375.252 3.924 20 5 GHBDMN Cc1ccc(Br)cc1NC(=O)CNCc1cccc([N+](=O)[O-])c1C ZINC001207368410 1034311625 /nfs/dbraw/zinc/31/16/25/1034311625.db2.gz BNXGSKWNJWBNJT-UHFFFAOYSA-N 0 1 392.253 3.702 20 5 GHBDMN CC(=O)CC(=O)Nc1ccc2nc(O[C@@H](C)c3ccccc3[N+](=O)[O-])[nH]c2c1 ZINC001231186263 1034452021 /nfs/dbraw/zinc/45/20/21/1034452021.db2.gz ULEJWJTWOUNNSS-LBPRGKRZSA-N 0 1 382.376 3.529 20 5 GHBDMN Cc1cc(O)c([N+](=O)[O-])c(OCc2cc(Br)cnc2OC(C)C)n1 ZINC001231264200 1034492772 /nfs/dbraw/zinc/49/27/72/1034492772.db2.gz OSKTWWWRYYSNST-UHFFFAOYSA-N 0 1 398.213 3.528 20 5 GHBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC[C@H](NC(=O)c2ccccc2)C1 ZINC001461916896 1069880702 /nfs/dbraw/zinc/88/07/02/1069880702.db2.gz QPVWWUDCEPCZNR-QUHSPFQSSA-N 0 1 379.460 3.893 20 5 GHBDMN O=C(CCCc1c(F)cccc1F)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC001160727139 1035045623 /nfs/dbraw/zinc/04/56/23/1035045623.db2.gz FRNHPBZWISUXIQ-UHFFFAOYSA-N 0 1 387.346 3.620 20 5 GHBDMN COc1cc(N2CCN(C)CC2)ccc1Nc1ccc([N+](=O)[O-])cc1Cl ZINC001248604226 1035984971 /nfs/dbraw/zinc/98/49/71/1035984971.db2.gz QQYJGUZHPGJUQX-UHFFFAOYSA-N 0 1 376.844 3.752 20 5 GHBDMN CC(C)(C)OC(=O)NC/C=C\CNCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001462193020 1070070640 /nfs/dbraw/zinc/07/06/40/1070070640.db2.gz SQTRBEPCXJYZPD-PLNGDYQASA-N 0 1 389.374 3.784 20 5 GHBDMN C[C@]1(c2ccc(F)cc2)CN(C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCO1 ZINC001254479509 1040267016 /nfs/dbraw/zinc/26/70/16/1040267016.db2.gz COJGJXODGAXAQH-JOCHJYFZSA-N 0 1 399.466 3.950 20 5 GHBDMN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCC[C@@](C)(NC(=O)OC(C)(C)C)C1 ZINC001254549900 1040316943 /nfs/dbraw/zinc/31/69/43/1040316943.db2.gz ADXOTNPQMMPESQ-MGPUTAFESA-N 0 1 377.485 3.905 20 5 GHBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001306509624 1048712359 /nfs/dbraw/zinc/71/23/59/1048712359.db2.gz MSFIPIDLBSVNAG-GDBMZVCRSA-N 0 1 377.404 3.902 20 5 GHBDMN COc1ccc(OCC[N@H+]2CC[C@H](Oc3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 ZINC001307796252 1049596718 /nfs/dbraw/zinc/59/67/18/1049596718.db2.gz DACSPKQLOUUECP-KRWDZBQOSA-N 0 1 392.839 3.789 20 5 GHBDMN COc1ccc(OCCN2CC[C@H](Oc3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 ZINC001307796252 1049596729 /nfs/dbraw/zinc/59/67/29/1049596729.db2.gz DACSPKQLOUUECP-KRWDZBQOSA-N 0 1 392.839 3.789 20 5 GHBDMN Cc1cc(NC(=O)CN[C@H](C)c2ccc([N+](=O)[O-])cc2)n(-c2ccc(F)cc2)n1 ZINC001308070905 1049818035 /nfs/dbraw/zinc/81/80/35/1049818035.db2.gz SQTQTACIIZQWJJ-CQSZACIVSA-N 0 1 397.410 3.517 20 5 GHBDMN O=C(NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccc([N+](=O)[O-])cc1[O-] ZINC001343989931 1054165151 /nfs/dbraw/zinc/16/51/51/1054165151.db2.gz QFXXSUPECGCQKT-AYHJJNSGSA-N 0 1 395.459 3.616 20 5 GHBDMN Cc1ccc(CN2CCCN(C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)CC2)cc1 ZINC001317820448 1054267802 /nfs/dbraw/zinc/26/78/02/1054267802.db2.gz GVSBPXFVVXBCPK-UHFFFAOYSA-N 0 1 382.464 3.951 20 5 GHBDMN COc1ccc(C[C@H](C)N(C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1 ZINC001319314796 1055177367 /nfs/dbraw/zinc/17/73/67/1055177367.db2.gz IYDDCZBIZJJMQP-AWEZNQCLSA-N 0 1 382.420 3.716 20 5 GHBDMN CC(C)N1C[C@@H](NCc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CC1=O ZINC001319951742 1055559758 /nfs/dbraw/zinc/55/97/58/1055559758.db2.gz PWDCJXVJXAFLBL-ZDUSSCGKSA-N 0 1 377.828 3.607 20 5 GHBDMN CCOc1ccc(NC(=O)CN[C@@H](CC)c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC001320037660 1055613027 /nfs/dbraw/zinc/61/30/27/1055613027.db2.gz HGVNNJGUFWYJCU-INIZCTEOSA-N 0 1 375.400 3.812 20 5 GHBDMN CCN(CC)C(=O)[C@H](Cc1ccccc1)N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848512992 1057142276 /nfs/dbraw/zinc/14/22/76/1057142276.db2.gz CEHONDDUEXCGKV-PMACEKPBSA-N 0 1 381.476 3.651 20 5 GHBDMN CC(=O)c1ccc(O)c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC001447029141 1059920762 /nfs/dbraw/zinc/92/07/62/1059920762.db2.gz ZFJUAEUFIAVHTA-JTQLQIEISA-N 0 1 378.768 3.562 20 5 GHBDMN Cc1cc([N+](=O)[O-])c(C(=O)Nc2nc(Br)ccc2O)cc1Cl ZINC001447927917 1060064724 /nfs/dbraw/zinc/06/47/24/1060064724.db2.gz LSUDKQPWDVUJSV-UHFFFAOYSA-N 0 1 386.589 3.672 20 5 GHBDMN CCOc1ccccc1[C@@H](N)CC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001341703807 1060823325 /nfs/dbraw/zinc/82/33/25/1060823325.db2.gz PLJPPOPMCKZYRQ-SFHVURJKSA-N 0 1 383.448 3.575 20 5 GHBDMN COc1cccc(N2CCC(NCc3nc4cc([N+](=O)[O-])ccc4o3)CC2)c1 ZINC001349607919 1063824889 /nfs/dbraw/zinc/82/48/89/1063824889.db2.gz FMXJDACVEGMXEQ-UHFFFAOYSA-N 0 1 382.420 3.503 20 5 GHBDMN CCO[C@@H]1C[C@@H](N(C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1(CC)CC ZINC001459738172 1064193819 /nfs/dbraw/zinc/19/38/19/1064193819.db2.gz AFEBNEJCWFUTPW-QZTJIDSGSA-N 0 1 377.485 3.757 20 5 GHBDMN Cc1cc(C2CCN(Cc3cn(C)nc3[N+](=O)[O-])CC2)ccc1Br ZINC001459993318 1064327966 /nfs/dbraw/zinc/32/79/66/1064327966.db2.gz QBCJBMLNCSDUTA-UHFFFAOYSA-N 0 1 393.285 3.779 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)NCC2CC(c3ccccc3)C2)c1 ZINC001463584671 1064481051 /nfs/dbraw/zinc/48/10/51/1064481051.db2.gz XPDJFZBTXNIFMN-UHFFFAOYSA-N 0 1 398.843 3.859 20 5 GHBDMN CC(C)(C)CCN1CCN(C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])CC1 ZINC001464382460 1064980809 /nfs/dbraw/zinc/98/08/09/1064980809.db2.gz YSFPMTCFFXLFLX-UHFFFAOYSA-N 0 1 396.491 3.851 20 5 GHBDMN CC(C)(C)c1ccc(-c2nc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)n[nH]2)cc1 ZINC001464632196 1065123541 /nfs/dbraw/zinc/12/35/41/1065123541.db2.gz HSVBYOJKHHNQFM-UHFFFAOYSA-N 0 1 381.392 3.635 20 5 GHBDMN CC[C@@H]1CN(C)CCN1C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC001465625674 1065753837 /nfs/dbraw/zinc/75/38/37/1065753837.db2.gz QYEMMZCYMFCHIJ-MRXNPFEDSA-N 0 1 384.436 3.945 20 5 GHBDMN CC[C@@H](c1ccccc1)N1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2C)CC1 ZINC001469778828 1068382304 /nfs/dbraw/zinc/38/23/04/1068382304.db2.gz ZHBIJMPUUGPGPD-FQEVSTJZSA-N 0 1 396.491 3.882 20 5 GHBDMN C[C@@H](COCC1CCCCC1)NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001460812215 1069196830 /nfs/dbraw/zinc/19/68/30/1069196830.db2.gz BUEDQFRVQKMFOA-ZDUSSCGKSA-N 0 1 383.876 3.762 20 5 GHBDMN CC(C)(C)OC(=O)NCC[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001460879708 1069247894 /nfs/dbraw/zinc/24/78/94/1069247894.db2.gz IWQBUURJSCBKDB-ZDUSSCGKSA-N 0 1 383.876 3.985 20 5 GHBDMN CCO[C@H]1C[C@@H](N(C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C12CCCCC2 ZINC001473199180 1073852906 /nfs/dbraw/zinc/85/29/06/1073852906.db2.gz DZEVGEYFRXFRCW-MOPGFXCFSA-N 0 1 389.496 3.901 20 5 GHBDMN CC[C@H](Cc1ccccc1Br)N(C)Cc1cn(C)nc1[N+](=O)[O-] ZINC001473400327 1073949999 /nfs/dbraw/zinc/94/99/99/1073949999.db2.gz PKROOAWTZVLSIE-CQSZACIVSA-N 0 1 381.274 3.544 20 5 GHBDMN CN(Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)CC1(O)CCCCCC1 ZINC001473401568 1073950823 /nfs/dbraw/zinc/95/08/23/1073950823.db2.gz BZALJGMDHBHLIH-UHFFFAOYSA-N 0 1 394.859 3.815 20 5 GHBDMN C[C@@](O)(CN1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)C(F)(F)C(F)(F)F ZINC001473486667 1073985651 /nfs/dbraw/zinc/98/56/51/1073985651.db2.gz MKUHUPBQPSOAKS-TZMCWYRMSA-N 0 1 382.329 3.723 20 5 GHBDMN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@H](c2c[nH]c3ncccc23)C1 ZINC001473720690 1074106020 /nfs/dbraw/zinc/10/60/20/1074106020.db2.gz AJFUBPJFRRZBLZ-GJZGRUSLSA-N 0 1 393.447 3.678 20 5 GHBDMN O=[N+]([O-])c1ccccc1-c1ccc(CNCc2cccc(-n3cncn3)c2)o1 ZINC001474015438 1074236119 /nfs/dbraw/zinc/23/61/19/1074236119.db2.gz AATMGXOUOIUPEW-UHFFFAOYSA-N 0 1 375.388 3.725 20 5 GHBDMN C[C@@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])o1)c1cccc(-c2nn[nH]n2)c1 ZINC000820426457 599395782 /nfs/dbraw/zinc/39/57/82/599395782.db2.gz KCQHQQRZBVVBNR-CYBMUJFWSA-N 0 1 390.403 3.886 20 5 GHBDMN Cn1cc[nH+]c1C[C@@H](Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])c1ccccc1 ZINC000833059057 600826004 /nfs/dbraw/zinc/82/60/04/600826004.db2.gz UZLTVTONSHWLIT-IQBZNYMQSA-N 0 1 392.415 3.822 20 5 GHBDMN O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000263574817 604680766 /nfs/dbraw/zinc/68/07/66/604680766.db2.gz NZXRGWNFHHPPFV-KYOSRNDESA-N 0 1 383.242 3.575 20 5 GHBDMN CC(C)(C(=O)[O-])[C@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1 ZINC000833415904 605178724 /nfs/dbraw/zinc/17/87/24/605178724.db2.gz VKUSWRGSWUDWHQ-QGZVFWFLSA-N 0 1 396.403 3.587 20 5 GHBDMN Cc1c(C)c(N2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)ncc1[N+](=O)[O-] ZINC001164996346 722201712 /nfs/dbraw/zinc/20/17/12/722201712.db2.gz UETKYEULQNRQJE-NRFANRHFSA-N 0 1 384.455 3.991 20 5 GHBDMN O=C(NC[C@@H](c1ccccc1)C(F)(F)F)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000188633356 837451750 /nfs/dbraw/zinc/45/17/50/837451750.db2.gz DJVYQYLQHSNREQ-ZDUSSCGKSA-N 0 1 378.310 3.547 20 5 GHBDMN CC(C)(NC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1cccc(Cl)c1F ZINC000186887912 834697431 /nfs/dbraw/zinc/69/74/31/834697431.db2.gz HFBUVPUKKUFBDR-GFCCVEGCSA-N 0 1 382.819 3.652 20 5 GHBDMN CCN(CC)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)c1ccco1 ZINC000181072078 837814650 /nfs/dbraw/zinc/81/46/50/837814650.db2.gz DDHBWFNZDXQBCY-CQSZACIVSA-N 0 1 397.378 3.602 20 5 GHBDMN Cc1ccc([C@H](C)NC(=O)NCc2ccc(CN(C)C)c(F)c2)cc1[N+](=O)[O-] ZINC000135584606 834936458 /nfs/dbraw/zinc/93/64/58/834936458.db2.gz ILYOLRWIPAGYFR-AWEZNQCLSA-N 0 1 388.443 3.664 20 5 GHBDMN O=C(CSc1nc(-c2cc(F)cc(F)c2)n[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000610219492 835228912 /nfs/dbraw/zinc/22/89/12/835228912.db2.gz BDKXDTFYYWKZJL-UHFFFAOYSA-N 0 1 376.344 3.633 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@@H](C)c1cc(C)sc1C ZINC000179373990 835651550 /nfs/dbraw/zinc/65/15/50/835651550.db2.gz YFNVZXNTZPXUOB-NWDGAFQWSA-N 0 1 377.466 3.960 20 5 GHBDMN Cc1cc(N(C)C)cc(C)c1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000179084118 835969080 /nfs/dbraw/zinc/96/90/80/835969080.db2.gz GCIWVTVTTBEKJV-UHFFFAOYSA-N 0 1 383.857 3.732 20 5 GHBDMN CCN(CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1)c1ccco1 ZINC000411695598 836286305 /nfs/dbraw/zinc/28/63/05/836286305.db2.gz IMLSGKNTWVXLEW-KRWDZBQOSA-N 0 1 389.452 3.788 20 5 GHBDMN C[C@@H]1C[N@H+](Cc2ccc(CNc3ccc([N+](=O)[O-])c(C(=O)[O-])c3)cc2)C[C@H](C)O1 ZINC000548956965 836719214 /nfs/dbraw/zinc/71/92/14/836719214.db2.gz IRVBTMZUNSUXOC-GASCZTMLSA-N 0 1 399.447 3.514 20 5 GHBDMN CN(C)[C@H](CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 ZINC000175308319 836760179 /nfs/dbraw/zinc/76/01/79/836760179.db2.gz IPZFVDFTECTFMD-GOSISDBHSA-N 0 1 388.443 3.571 20 5 GHBDMN Cc1ccc([C@H](C)NCc2ccccc2OCC(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000180278747 836952519 /nfs/dbraw/zinc/95/25/19/836952519.db2.gz OMGOPWITEDVISO-KRWDZBQOSA-N 0 1 397.475 3.755 20 5 GHBDMN C[C@H](NCC(=O)N(C)Cc1c(F)cccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000180418857 837225047 /nfs/dbraw/zinc/22/50/47/837225047.db2.gz VVHRVPJUWPOPCC-LBPRGKRZSA-N 0 1 379.819 3.697 20 5 GHBDMN CCOc1ccccc1[C@H](CC)NC(=O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180438566 837257042 /nfs/dbraw/zinc/25/70/42/837257042.db2.gz IMCLNXBAXXULIA-KXBFYZLASA-N 0 1 385.464 3.912 20 5 GHBDMN COc1ccc([C@H](NC(=O)CN[C@@H](C)c2cccc([N+](=O)[O-])c2)C(C)C)cc1 ZINC000180450409 837267279 /nfs/dbraw/zinc/26/72/79/837267279.db2.gz PDHAWGAIDTXUOB-YCRPNKLZSA-N 0 1 385.464 3.768 20 5 GHBDMN Cc1cccc2c1OCC[C@H]2NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000188880386 837974890 /nfs/dbraw/zinc/97/48/90/837974890.db2.gz DNJUFUJBZMBMCA-LJQANCHMSA-N 0 1 378.432 3.917 20 5 GHBDMN C[C@H]1C[C@H](NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CN1C1CC1 ZINC000275658465 838244982 /nfs/dbraw/zinc/24/49/82/838244982.db2.gz MLUPLCIJIRJYAD-FZMZJTMJSA-N 0 1 397.425 3.727 20 5 GHBDMN O=[N+]([O-])c1cc(Nc2c(F)cc(I)cc2F)ccc1O ZINC001210397700 838248487 /nfs/dbraw/zinc/24/84/87/838248487.db2.gz DNKYGIXWOLAJAP-UHFFFAOYSA-N 0 1 392.099 3.927 20 5 GHBDMN Cc1ccc2nc([C@@H]3CCCN(C(=O)c4cc(F)cc([N+](=O)[O-])c4N)C3)[nH]c2c1 ZINC000102896777 838255853 /nfs/dbraw/zinc/25/58/53/838255853.db2.gz FBJVEAQKZOEPQX-GFCCVEGCSA-N 0 1 397.410 3.521 20 5 GHBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1ccc(C(F)(F)F)cc1 ZINC000103202422 838375905 /nfs/dbraw/zinc/37/59/05/838375905.db2.gz CMJFTUHJINIFER-UHFFFAOYSA-N 0 1 377.282 3.651 20 5 GHBDMN CC[C@](C)(O)CN(Cc1ccccc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000189735105 838392192 /nfs/dbraw/zinc/39/21/92/838392192.db2.gz WVUCATDOSHZZPP-NRFANRHFSA-N 0 1 386.448 3.625 20 5 GHBDMN CSc1cccc(C(=O)N2CCCN(Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000188025854 838489777 /nfs/dbraw/zinc/48/97/77/838489777.db2.gz JXMFYADVVAHZEX-UHFFFAOYSA-N 0 1 385.489 3.665 20 5 GHBDMN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cccc3c2CN(C2CC2)C3)cc1OC ZINC000377190854 839066980 /nfs/dbraw/zinc/06/69/80/839066980.db2.gz ZAGBSGIRSFUKDN-UHFFFAOYSA-N 0 1 397.431 3.732 20 5 GHBDMN O=[N+]([O-])c1ccccc1CCNCc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000548067322 839094335 /nfs/dbraw/zinc/09/43/35/839094335.db2.gz BJVJQTHREYAKSB-UHFFFAOYSA-N 0 1 392.246 3.815 20 5 GHBDMN COc1ccc(Oc2ccc([N+](=O)[O-])cc2-c2nc(C3(N)CCC3)no2)cc1 ZINC000261622386 839458963 /nfs/dbraw/zinc/45/89/63/839458963.db2.gz BXNRURFOISISOE-UHFFFAOYSA-N 0 1 382.376 3.784 20 5 GHBDMN CC(C)(C(=O)N1CCN(CC2CCCCC2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC001125468897 840058697 /nfs/dbraw/zinc/05/86/97/840058697.db2.gz DVBYTPYCPNRODP-UHFFFAOYSA-N 0 1 391.487 3.736 20 5 GHBDMN O=C(OCc1nc2ccc(Br)cc2[nH]1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000780522939 840250713 /nfs/dbraw/zinc/25/07/13/840250713.db2.gz SQMVOUJMOOFBOW-UHFFFAOYSA-N 0 1 394.156 3.730 20 5 GHBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCc1cc(Cl)sc1Cl ZINC000312794951 840350243 /nfs/dbraw/zinc/35/02/43/840350243.db2.gz CMRMGACPGUNVGM-UHFFFAOYSA-N 0 1 385.225 3.581 20 5 GHBDMN Cc1[nH]nc(C(=O)N2CC=C(c3ccc(Cl)c(Cl)c3)CC2)c1[N+](=O)[O-] ZINC000511675585 840500788 /nfs/dbraw/zinc/50/07/88/840500788.db2.gz PGCZFBASIRSKFM-UHFFFAOYSA-N 0 1 381.219 3.863 20 5 GHBDMN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ccc2nc[nH]c2c1 ZINC000580966257 840537099 /nfs/dbraw/zinc/53/70/99/840537099.db2.gz OCVXLNCDIBKJGB-UHFFFAOYSA-N 0 1 375.182 3.794 20 5 GHBDMN O=C(Nc1nc(Sc2ccccc2)ns1)c1ccc([N+](=O)[O-])cc1F ZINC000110768710 840734989 /nfs/dbraw/zinc/73/49/89/840734989.db2.gz HBIAMMANKHILFQ-UHFFFAOYSA-N 0 1 376.394 3.989 20 5 GHBDMN O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc([N+](=O)[O-])s1 ZINC000247329552 840889549 /nfs/dbraw/zinc/88/95/49/840889549.db2.gz OJWMUEQMSWGBSC-UHFFFAOYSA-N 0 1 379.869 3.704 20 5 GHBDMN Cc1c([C@H](C)NCCS(=O)(=O)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000177969499 841027800 /nfs/dbraw/zinc/02/78/00/841027800.db2.gz SFAJCJZYTLHPMC-ZDUSSCGKSA-N 0 1 382.869 3.681 20 5 GHBDMN O=[N+]([O-])c1ccc([O-])cc1CN1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000549921143 844630154 /nfs/dbraw/zinc/63/01/54/844630154.db2.gz NDTFHSQLPUYICR-UHFFFAOYSA-N 0 1 381.476 3.789 20 5 GHBDMN O=[N+]([O-])c1ccc([O-])cc1CN1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000549921143 844630158 /nfs/dbraw/zinc/63/01/58/844630158.db2.gz NDTFHSQLPUYICR-UHFFFAOYSA-N 0 1 381.476 3.789 20 5 GHBDMN COC1(C(F)(F)F)CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000418087096 841490083 /nfs/dbraw/zinc/49/00/83/841490083.db2.gz BBRFUOHISWMOFR-UHFFFAOYSA-N 0 1 398.385 3.539 20 5 GHBDMN Cc1cc(N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302137452 861215397 /nfs/dbraw/zinc/21/53/97/861215397.db2.gz DNSCVMFWFJVWSV-HNNXBMFYSA-N 0 1 384.480 3.830 20 5 GHBDMN COc1ccc(OC)c2c1CN(c1cc(C)nc3ccc([N+](=O)[O-])cc31)C[C@@H]2O ZINC000302213863 861242071 /nfs/dbraw/zinc/24/20/71/861242071.db2.gz ZJIDRDRMWHXOOK-SFHVURJKSA-N 0 1 395.415 3.522 20 5 GHBDMN CN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051132710 841848917 /nfs/dbraw/zinc/84/89/17/841848917.db2.gz BSXVBURHUUUHHO-XMSQKQJNSA-N 0 1 397.475 3.657 20 5 GHBDMN CCN(CC)CC(=O)Nc1cccc(N[C@@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000570343349 842281390 /nfs/dbraw/zinc/28/13/90/842281390.db2.gz KHIFGJAGHPPAOI-LJQANCHMSA-N 0 1 382.464 3.975 20 5 GHBDMN Cc1cccc(CN2CCN(Cn3cc(-c4ccc([N+](=O)[O-])cc4)cn3)CC2)c1 ZINC000728896163 842691311 /nfs/dbraw/zinc/69/13/11/842691311.db2.gz MWTRIRHBIDJYCN-UHFFFAOYSA-N 0 1 391.475 3.542 20 5 GHBDMN Cc1cc(N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000567980760 842915056 /nfs/dbraw/zinc/91/50/56/842915056.db2.gz LVCDSAZKHXYMOA-HZPDHXFCSA-N 0 1 375.469 3.692 20 5 GHBDMN O=C1C[C@H](c2ccccc2)N(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCN1 ZINC000510540625 842930429 /nfs/dbraw/zinc/93/04/29/842930429.db2.gz WLLXMOHPJWWUHU-HXUWFJFHSA-N 0 1 391.427 3.918 20 5 GHBDMN CCN1CCN(c2ccc(CNc3c(C)cc([N+](=O)[O-])cc3Cl)cn2)CC1 ZINC000302835497 861382849 /nfs/dbraw/zinc/38/28/49/861382849.db2.gz VMBCZGJBAVDMOD-UHFFFAOYSA-N 0 1 389.887 3.706 20 5 GHBDMN CCOc1cc(CN2CCC(OC[C@H]3CCCCO3)CC2)ccc1[N+](=O)[O-] ZINC000276870409 843607826 /nfs/dbraw/zinc/60/78/26/843607826.db2.gz HLPGFXIPJCQAFN-GOSISDBHSA-N 0 1 378.469 3.544 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc(C=Cc2ccccc2)n[nH]1 ZINC000012834693 843681772 /nfs/dbraw/zinc/68/17/72/843681772.db2.gz DQOGMFAJTSJIEO-JXMROGBWSA-N 0 1 395.444 3.923 20 5 GHBDMN COc1ccc(N(Cc2ccco2)C(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1F ZINC000432329731 843705365 /nfs/dbraw/zinc/70/53/65/843705365.db2.gz SSZIQHISKNJMPN-UHFFFAOYSA-N 0 1 386.335 3.888 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC(c2nc3ccccc3s2)C1 ZINC000535665123 843791278 /nfs/dbraw/zinc/79/12/78/843791278.db2.gz GZSMJHIUMRYTHU-UHFFFAOYSA-N 0 1 396.472 3.941 20 5 GHBDMN COc1cc(-c2nc3ccc(Br)cc3n2C)cc([N+](=O)[O-])c1O ZINC000436858351 844655002 /nfs/dbraw/zinc/65/50/02/844655002.db2.gz SVOSCFYBEFGTJM-UHFFFAOYSA-N 0 1 378.182 3.625 20 5 GHBDMN O=C(Nc1ccc(O)cc1)C1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000512586763 844666618 /nfs/dbraw/zinc/66/66/18/844666618.db2.gz LHESXNNHMKVFLW-HYXAFXHYSA-N 0 1 381.432 3.664 20 5 GHBDMN CO[C@H](c1ccccc1Cl)[C@H](C)NCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000481492599 861516093 /nfs/dbraw/zinc/51/60/93/861516093.db2.gz ICECQMZOEIJOIW-DJJJIMSYSA-N 0 1 391.855 3.861 20 5 GHBDMN C[C@@H]1CN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[C@@H]1c1ccccc1 ZINC001167499371 845307441 /nfs/dbraw/zinc/30/74/41/845307441.db2.gz HMAXEJDIRWEGCQ-UZLBHIALSA-N 0 1 379.460 3.610 20 5 GHBDMN C[C@@]12CCCN1C[C@H](c1noc(-c3cc4cc([N+](=O)[O-])ccc4s3)n1)OC2 ZINC000561932954 845519956 /nfs/dbraw/zinc/51/99/56/845519956.db2.gz CPTOCQMLPPDGNI-ACJLOTCBSA-N 0 1 386.433 3.785 20 5 GHBDMN O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2NCc2ccsc2Br)n1 ZINC000511037359 845810657 /nfs/dbraw/zinc/81/06/57/845810657.db2.gz IOHQFCKKZIEIEM-NEPJUHHUSA-N 0 1 385.287 3.889 20 5 GHBDMN COc1ccc([C@@H](CNC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)N2CCCC2)cc1 ZINC000555715041 861640186 /nfs/dbraw/zinc/64/01/86/861640186.db2.gz LULSQLKQRQUIGF-IIBYNOLFSA-N 0 1 397.475 3.660 20 5 GHBDMN CNC(=O)[C@H]1CCN(Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000421388645 846204267 /nfs/dbraw/zinc/20/42/67/846204267.db2.gz QGDZEQMSJFIZAL-AWEZNQCLSA-N 0 1 389.839 3.608 20 5 GHBDMN C[C@@H](N[C@@H]1CCCC[C@H]1OC(F)F)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000502563183 846208544 /nfs/dbraw/zinc/20/85/44/846208544.db2.gz KWQFHDMGTUJYOS-LERXQTSPSA-N 0 1 382.367 3.846 20 5 GHBDMN COc1cc(CNC[C@@H]2CCCCO2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000237238809 846353953 /nfs/dbraw/zinc/35/39/53/846353953.db2.gz DAIHKYRKBFFBHO-SFHVURJKSA-N 0 1 386.448 3.841 20 5 GHBDMN COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)NCc1c(Cl)cccc1[N+](=O)[O-] ZINC000551715858 846487612 /nfs/dbraw/zinc/48/76/12/846487612.db2.gz JGMYLVABVIELMK-HIFRSBDPSA-N 0 1 376.840 3.758 20 5 GHBDMN COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000551719812 846487772 /nfs/dbraw/zinc/48/77/72/846487772.db2.gz KMQNJLSDZOWZKJ-DYVFJYSZSA-N 0 1 376.840 3.758 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 ZINC000135505903 846502854 /nfs/dbraw/zinc/50/28/54/846502854.db2.gz AYHQXQLBEVHILI-UHFFFAOYSA-N 0 1 382.348 3.518 20 5 GHBDMN C[C@@H](CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1ccc(F)cc1F ZINC000503033455 846735065 /nfs/dbraw/zinc/73/50/65/846735065.db2.gz WKBNHOQJERLHOU-JTQLQIEISA-N 0 1 387.346 3.790 20 5 GHBDMN O=C1C[C@@H](NCc2ccccc2[N+](=O)[O-])CN1Cc1ccccc1C(F)(F)F ZINC000183811180 847175790 /nfs/dbraw/zinc/17/57/90/847175790.db2.gz NLLLKYZFJIQSPU-OAHLLOKOSA-N 0 1 393.365 3.504 20 5 GHBDMN C[C@@H](N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000478975568 847394076 /nfs/dbraw/zinc/39/40/76/847394076.db2.gz JRDXXBRSHCFDDM-PIGZYNQJSA-N 0 1 377.803 3.843 20 5 GHBDMN CN(C)[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)c1cccc(C(F)(F)F)c1 ZINC000183893304 847507550 /nfs/dbraw/zinc/50/75/50/847507550.db2.gz XOPALJDVAMPDEZ-QGZVFWFLSA-N 0 1 395.381 3.575 20 5 GHBDMN CCCCCn1cc(CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c(C)n1 ZINC000503261379 847533613 /nfs/dbraw/zinc/53/36/13/847533613.db2.gz SKFWNUKWLOVSFG-UHFFFAOYSA-N 0 1 396.495 3.980 20 5 GHBDMN COc1ccc(NC(=O)CN2CCC[C@@H]2Cc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000303604925 861808471 /nfs/dbraw/zinc/80/84/71/861808471.db2.gz OCLPCOCUPGWTLS-QGZVFWFLSA-N 0 1 383.448 3.557 20 5 GHBDMN CC[C@@H]1C[C@@]1(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(C)c1 ZINC000502483029 847939323 /nfs/dbraw/zinc/93/93/23/847939323.db2.gz SQEDAGTUFVIICJ-UZLBHIALSA-N 0 1 388.489 3.592 20 5 GHBDMN C[C@@H]1CN(Cc2cccc(Nc3ncnc4ccc([N+](=O)[O-])cc43)c2)C[C@H](C)O1 ZINC000611706877 848042627 /nfs/dbraw/zinc/04/26/27/848042627.db2.gz MIJZOWTWTCTXSJ-GASCZTMLSA-N 0 1 393.447 3.891 20 5 GHBDMN CCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@@H](C)Cc1ccsc1 ZINC000187807953 848282278 /nfs/dbraw/zinc/28/22/78/848282278.db2.gz QALVCCXBIUWOQV-ZDUSSCGKSA-N 0 1 377.466 3.557 20 5 GHBDMN CC(C)(C)c1ccc(C(=O)NC2CCN(Cc3ccccn3)CC2)cc1[N+](=O)[O-] ZINC000132081599 861899527 /nfs/dbraw/zinc/89/95/27/861899527.db2.gz ZSFIBIYRCYMEIL-UHFFFAOYSA-N 0 1 396.491 3.682 20 5 GHBDMN Cc1ccc(NC(=O)[C@@H](c2ccccc2)N(C)C[C@@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000178776110 849067185 /nfs/dbraw/zinc/06/71/85/849067185.db2.gz NXMDXBGJGYPZBQ-OXJNMPFZSA-N 0 1 383.448 3.551 20 5 GHBDMN Cc1cc(F)cc(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)c1[N+](=O)[O-] ZINC000176779898 849728632 /nfs/dbraw/zinc/72/86/32/849728632.db2.gz KKBGUNAFGOTRKS-UHFFFAOYSA-N 0 1 389.402 3.576 20 5 GHBDMN NC1(c2noc(-c3cc(OCC(F)(F)F)ccc3[N+](=O)[O-])n2)CCCCC1 ZINC000424341151 850399187 /nfs/dbraw/zinc/39/91/87/850399187.db2.gz IMXOXVGZCKPWDM-UHFFFAOYSA-N 0 1 386.330 3.704 20 5 GHBDMN CCOc1ccc([C@@H](C)NCc2ccc(C)cc2N2CCOCC2)cc1[N+](=O)[O-] ZINC000504893035 850421680 /nfs/dbraw/zinc/42/16/80/850421680.db2.gz AZAVEMOGIPELJA-QGZVFWFLSA-N 0 1 399.491 3.989 20 5 GHBDMN CCOc1ccc([C@@H](C)N[C@H](CC(=O)N(C)C)c2ccccc2)cc1[N+](=O)[O-] ZINC000504912434 850443147 /nfs/dbraw/zinc/44/31/47/850443147.db2.gz WFBVWDSVBDUGAG-CRAIPNDOSA-N 0 1 385.464 3.864 20 5 GHBDMN C[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCc2ccccc2C1 ZINC000504916083 850448161 /nfs/dbraw/zinc/44/81/61/850448161.db2.gz YKJLHNQSGRKDNI-CYBMUJFWSA-N 0 1 388.855 3.817 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N2CCCCC[C@H]2CC(=O)c2ccco2)c1[N+](=O)[O-] ZINC000434253575 850930392 /nfs/dbraw/zinc/93/03/92/850930392.db2.gz LFQBBAHSPGOOHW-ZDUSSCGKSA-N 0 1 388.424 3.692 20 5 GHBDMN Cc1cc(N2CCC[N@@H+](CC3CCCCC3)CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000910347333 851141035 /nfs/dbraw/zinc/14/10/35/851141035.db2.gz XZHIKPLKYPFXGE-UHFFFAOYSA-N 0 1 375.469 3.694 20 5 GHBDMN Cc1sc(C(=O)Nc2nc3c(s2)CN(C(C)(C)C)CC3)cc1[N+](=O)[O-] ZINC000425091263 851243872 /nfs/dbraw/zinc/24/38/72/851243872.db2.gz YKGKMELMMPOLHA-UHFFFAOYSA-N 0 1 380.495 3.830 20 5 GHBDMN CC(C)N1CC[C@@H](N(C)C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 ZINC000519523178 851257828 /nfs/dbraw/zinc/25/78/28/851257828.db2.gz AYLRMDOGZUIBJL-OAHLLOKOSA-N 0 1 399.441 3.514 20 5 GHBDMN O=C(NCCc1c[nH]c2cc(Cl)ccc12)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000604487022 862238432 /nfs/dbraw/zinc/23/84/32/862238432.db2.gz KKGXXPQUEXPDGR-UHFFFAOYSA-N 0 1 383.795 3.578 20 5 GHBDMN CCCCOc1ccc([C@H](C)NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1OC ZINC000505786660 851416244 /nfs/dbraw/zinc/41/62/44/851416244.db2.gz DMFWVOGCLUSOHE-ZDUSSCGKSA-N 0 1 388.420 3.979 20 5 GHBDMN Cc1ccc(NC(=O)[C@@H](c2ccccc2)N(C)CCCCCO)c([N+](=O)[O-])c1 ZINC000434665148 851454398 /nfs/dbraw/zinc/45/43/98/851454398.db2.gz MWSJINUSILWWPD-HXUWFJFHSA-N 0 1 385.464 3.677 20 5 GHBDMN CN(c1ccccc1)c1ccc(C[NH2+]Cc2nc(C(=O)[O-])cs2)cc1[N+](=O)[O-] ZINC000426669802 852040248 /nfs/dbraw/zinc/04/02/48/852040248.db2.gz PADJFLSOEPIXMS-UHFFFAOYSA-N 0 1 398.444 3.807 20 5 GHBDMN O=[N+]([O-])c1cc(CSc2n[nH]c(CCC3CCCC3)n2)c2c(c1)COCO2 ZINC000028778535 852056469 /nfs/dbraw/zinc/05/64/69/852056469.db2.gz RGQDPYKMRFGBTL-UHFFFAOYSA-N 0 1 390.465 3.995 20 5 GHBDMN O=[N+]([O-])c1cc(CSc2nc(CCC3CCCC3)n[nH]2)c2c(c1)COCO2 ZINC000028778535 852056476 /nfs/dbraw/zinc/05/64/76/852056476.db2.gz RGQDPYKMRFGBTL-UHFFFAOYSA-N 0 1 390.465 3.995 20 5 GHBDMN CCC(=O)c1ccc(O)c(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1 ZINC000436652405 852143019 /nfs/dbraw/zinc/14/30/19/852143019.db2.gz MYISCSRHFKPDNR-UHFFFAOYSA-N 0 1 393.193 3.908 20 5 GHBDMN Cc1ccc2nc([C@@H]3CCCN(C(=O)c4cc([O-])cc([N+](=O)[O-])c4)C3)[nH]c2c1 ZINC000506199267 852223815 /nfs/dbraw/zinc/22/38/15/852223815.db2.gz OQBGXALBCYNMIH-CYBMUJFWSA-N 0 1 380.404 3.505 20 5 GHBDMN Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)c4cc(O)cc([N+](=O)[O-])c4)C3)nc2c1 ZINC000506199267 852223825 /nfs/dbraw/zinc/22/38/25/852223825.db2.gz OQBGXALBCYNMIH-CYBMUJFWSA-N 0 1 380.404 3.505 20 5 GHBDMN Cc1ccc2nc([C@@H]3CCCN(C(=O)c4cc(O)cc([N+](=O)[O-])c4)C3)[nH]c2c1 ZINC000506199267 852223835 /nfs/dbraw/zinc/22/38/35/852223835.db2.gz OQBGXALBCYNMIH-CYBMUJFWSA-N 0 1 380.404 3.505 20 5 GHBDMN Cc1[nH]nc(C(=O)Nc2ccc(-c3nc4ccc(F)cc4[nH]3)cc2)c1[N+](=O)[O-] ZINC000517993997 852711959 /nfs/dbraw/zinc/71/19/59/852711959.db2.gz CHUJDPPZWLWIMC-UHFFFAOYSA-N 0 1 380.339 3.561 20 5 GHBDMN C[C@H]1c2cccc(Br)c2CCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000507266390 852735093 /nfs/dbraw/zinc/73/50/93/852735093.db2.gz YZGLZXUGUDYJNL-JTQLQIEISA-N 0 1 391.221 3.822 20 5 GHBDMN CCCOc1ccc(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)c(OC(F)F)c1 ZINC000507310842 852771395 /nfs/dbraw/zinc/77/13/95/852771395.db2.gz DJKLMWNOHHMKLA-UHFFFAOYSA-N 0 1 396.346 3.621 20 5 GHBDMN O=C(c1cc([N+](=O)[O-])ccc1SC1CCCC1)N1CC[C@@H](N2CCC2)C1 ZINC000912912184 852882467 /nfs/dbraw/zinc/88/24/67/852882467.db2.gz YAHCCNMVKZPTGU-OAHLLOKOSA-N 0 1 375.494 3.550 20 5 GHBDMN O=C(Cc1ccc([N+](=O)[O-])cc1F)Nc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000490283600 852894472 /nfs/dbraw/zinc/89/44/72/852894472.db2.gz FICXEZRGBVELSI-UHFFFAOYSA-N 0 1 382.273 3.810 20 5 GHBDMN Cc1ccc(S[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1 ZINC000490397795 852988934 /nfs/dbraw/zinc/98/89/34/852988934.db2.gz KUWZDAAEIZBXMZ-GFCCVEGCSA-N 0 1 383.433 3.808 20 5 GHBDMN C[C@@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1c(F)cccc1F ZINC000516787784 852999601 /nfs/dbraw/zinc/99/96/01/852999601.db2.gz HBWQQHPEKKXNBJ-MRVPVSSYSA-N 0 1 376.768 3.566 20 5 GHBDMN O=[N+]([O-])c1ccccc1/C=C\CN(CCO)Cc1cc(Br)cs1 ZINC000426379409 853629441 /nfs/dbraw/zinc/62/94/41/853629441.db2.gz SXYCVGFSRDUAIQ-HYXAFXHYSA-N 0 1 397.294 3.927 20 5 GHBDMN O=C1CCN1c1cccc(CNCc2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 ZINC000441216517 854006660 /nfs/dbraw/zinc/00/66/60/854006660.db2.gz JVXADRKIJSJBTL-UHFFFAOYSA-N 0 1 377.400 3.881 20 5 GHBDMN Cc1ccncc1[C@H](C)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000589258512 854763410 /nfs/dbraw/zinc/76/34/10/854763410.db2.gz TZGQASFWKMFEMB-NSHDSACASA-N 0 1 397.216 3.754 20 5 GHBDMN CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000553395680 855002294 /nfs/dbraw/zinc/00/22/94/855002294.db2.gz NBCAPPRZDJLLTJ-GDIGMMSISA-N 0 1 394.431 3.552 20 5 GHBDMN COc1cccc([C@H]2[C@@H](NC(=O)c3ccc([N+](=O)[O-])c(C)c3)CCN2C2CC2)c1 ZINC000482048388 862640126 /nfs/dbraw/zinc/64/01/26/862640126.db2.gz YJYZRRSLBFFCQE-FPOVZHCZSA-N 0 1 395.459 3.620 20 5 GHBDMN COc1cccc([C@H]2[C@@H](NC(=O)c3ccc(C)c([N+](=O)[O-])c3)CCN2C2CC2)c1 ZINC000482049039 862641640 /nfs/dbraw/zinc/64/16/40/862641640.db2.gz ZIVDUWWCFYFBIW-FPOVZHCZSA-N 0 1 395.459 3.620 20 5 GHBDMN COc1ccccc1[C@H](CNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1)N1CCCC1 ZINC000058824519 862668403 /nfs/dbraw/zinc/66/84/03/862668403.db2.gz RKOQAHHLGYGURK-IBGZPJMESA-N 0 1 398.463 3.870 20 5 GHBDMN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1c(=O)[nH][nH]c1-c1ccccc1 ZINC000590400339 855390945 /nfs/dbraw/zinc/39/09/45/855390945.db2.gz UFVMEKVAOPIPCD-LLVKDONJSA-N 0 1 384.417 3.810 20 5 GHBDMN O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1c(=O)[nH][nH]c1-c1ccccc1 ZINC000590563140 855490276 /nfs/dbraw/zinc/49/02/76/855490276.db2.gz RRWTTXNTFYFYRF-UHFFFAOYSA-N 0 1 381.392 3.521 20 5 GHBDMN COC(=O)c1c(Cl)c(NC[C@@H](c2ccsc2)N(C)C)ccc1[N+](=O)[O-] ZINC000590571465 855494295 /nfs/dbraw/zinc/49/42/95/855494295.db2.gz PDXYEISWTQUJFE-ZDUSSCGKSA-N 0 1 383.857 3.811 20 5 GHBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@@H](c2ccccn2)C1 ZINC000590600762 855505331 /nfs/dbraw/zinc/50/53/31/855505331.db2.gz MNLWRRUDJPLVRR-GDBMZVCRSA-N 0 1 379.420 3.980 20 5 GHBDMN COc1ccc(CN2CCC[C@@H]3COC[C@@H]32)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000590972112 855681136 /nfs/dbraw/zinc/68/11/36/855681136.db2.gz AOAUNSAZAIDYPK-QUCCMNQESA-N 0 1 398.459 3.793 20 5 GHBDMN C[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)CCCC2 ZINC000542666850 856400135 /nfs/dbraw/zinc/40/01/35/856400135.db2.gz YEVCQUFHCSIEMC-OAHLLOKOSA-N 0 1 388.489 3.598 20 5 GHBDMN O=C(c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)N1CCN2CCC1CC2 ZINC000507853677 856569552 /nfs/dbraw/zinc/56/95/52/856569552.db2.gz AUGLKJIZVFWJMV-UHFFFAOYSA-N 0 1 383.473 3.666 20 5 GHBDMN CCOc1ccc([N+](=O)[O-])cc1CNCCOc1cccc(Br)c1 ZINC000507912217 856657340 /nfs/dbraw/zinc/65/73/40/856657340.db2.gz FVSALRXAIOMTRA-UHFFFAOYSA-N 0 1 395.253 3.925 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CCNC1(c2ccccc2Cl)CC1 ZINC000592138267 856681840 /nfs/dbraw/zinc/68/18/40/856681840.db2.gz XGRNBUJXMBYEQI-UHFFFAOYSA-N 0 1 389.839 3.864 20 5 GHBDMN COc1ccc(NC(=O)CNC2(c3cccc(Cl)c3)CCC2)c([N+](=O)[O-])c1 ZINC000592183929 856683503 /nfs/dbraw/zinc/68/35/03/856683503.db2.gz LJZGDXPDMFIGTN-UHFFFAOYSA-N 0 1 389.839 3.864 20 5 GHBDMN C[C@H](N[C@@H](C)c1ccc(NC(=O)C2CC2)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000130897561 856810549 /nfs/dbraw/zinc/81/05/49/856810549.db2.gz XTPWOMJAEBQFEE-KBPBESRZSA-N 0 1 396.447 3.621 20 5 GHBDMN CCOc1ccc(C(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000173701362 857092480 /nfs/dbraw/zinc/09/24/80/857092480.db2.gz QECHIZMAEFTZRP-LJQANCHMSA-N 0 1 397.475 3.730 20 5 GHBDMN CN(C(=O)CN1CC[C@@H](CSc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000173750487 857128284 /nfs/dbraw/zinc/12/82/84/857128284.db2.gz OFLUCHCNKRBLRA-MRXNPFEDSA-N 0 1 385.489 3.672 20 5 GHBDMN C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000441826490 857139237 /nfs/dbraw/zinc/13/92/37/857139237.db2.gz RJPKTLUDPYZLSL-IXDOHACOSA-N 0 1 389.496 3.616 20 5 GHBDMN C[C@@H](N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc2ncsc2c1 ZINC000485844402 857140748 /nfs/dbraw/zinc/14/07/48/857140748.db2.gz KGEVGFWDZAOMPW-SJKOYZFVSA-N 0 1 382.445 3.661 20 5 GHBDMN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@@H]2c2ccccc2Cl)c1 ZINC000520810796 857239151 /nfs/dbraw/zinc/23/91/51/857239151.db2.gz GAFPQMKJEDGBLU-DNVCBOLYSA-N 0 1 376.840 3.825 20 5 GHBDMN O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000041941684 857321207 /nfs/dbraw/zinc/32/12/07/857321207.db2.gz NYWKWBKPPKKHKT-IBGZPJMESA-N 0 1 387.867 3.744 20 5 GHBDMN CCOc1ccc([C@H](C)N[C@@H](CC)C(=O)NCc2cccs2)cc1[N+](=O)[O-] ZINC000592397105 857335823 /nfs/dbraw/zinc/33/58/23/857335823.db2.gz RKUCSYNJXZMBAS-BBRMVZONSA-N 0 1 391.493 3.801 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc3nc([C@H]4CCCO4)[nH]c3c2)c1 ZINC000065856771 857830491 /nfs/dbraw/zinc/83/04/91/857830491.db2.gz FUJHXBAGVKUBJQ-QGZVFWFLSA-N 0 1 382.376 3.584 20 5 GHBDMN NC(=O)c1ccc(CN2CCC(c3nc4ccccc4s3)CC2)c([N+](=O)[O-])c1 ZINC000027354587 857895403 /nfs/dbraw/zinc/89/54/03/857895403.db2.gz CLLOAHBITAFABJ-UHFFFAOYSA-N 0 1 396.472 3.683 20 5 GHBDMN COc1cc(CN[C@@H]2COC(C)(C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000594969574 858333478 /nfs/dbraw/zinc/33/34/78/858333478.db2.gz XHUVWCNOAQLASG-KRWDZBQOSA-N 0 1 386.448 3.840 20 5 GHBDMN Cc1ccc2nc([C@@H]3CCCN(C(=O)COc4ccc([N+](=O)[O-])cc4)C3)[nH]c2c1 ZINC000067158704 858457900 /nfs/dbraw/zinc/45/79/00/858457900.db2.gz XIOCZZATIHBYTA-OAHLLOKOSA-N 0 1 394.431 3.565 20 5 GHBDMN O=[N+]([O-])c1cc(F)ccc1CN1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000595421608 858526020 /nfs/dbraw/zinc/52/60/20/858526020.db2.gz GVPBDYIBSYZEFP-INIZCTEOSA-N 0 1 381.411 3.899 20 5 GHBDMN Cc1noc(CN2CC[C@H](Cc3ccc(Br)cc3)C2)c1[N+](=O)[O-] ZINC000595500302 858546796 /nfs/dbraw/zinc/54/67/96/858546796.db2.gz IANYYWBQEIXSLD-CYBMUJFWSA-N 0 1 380.242 3.718 20 5 GHBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000595746565 858673137 /nfs/dbraw/zinc/67/31/37/858673137.db2.gz CXTLDKMHEBJXPD-PZJWPPBQSA-N 0 1 384.476 3.980 20 5 GHBDMN COc1ccc(OCCN2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)c([N+](=O)[O-])c1 ZINC000593123884 858691607 /nfs/dbraw/zinc/69/16/07/858691607.db2.gz FXJISCKFWNOXTH-NYVOZVTQSA-N 0 1 398.459 3.977 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(F)c(OC(C)C)c(F)c1 ZINC000543165800 858720935 /nfs/dbraw/zinc/72/09/35/858720935.db2.gz IUNJVPXIYBAPET-UHFFFAOYSA-N 0 1 386.376 3.769 20 5 GHBDMN C[C@@H](CCc1cccc(F)c1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000439194843 858728838 /nfs/dbraw/zinc/72/88/38/858728838.db2.gz YQBJGZZJZBVRED-LBPRGKRZSA-N 0 1 383.383 3.726 20 5 GHBDMN O=[N+]([O-])c1cccc(Br)c1NC1CCN(Cc2ccncc2)CC1 ZINC000596081681 858775865 /nfs/dbraw/zinc/77/58/65/858775865.db2.gz IYTNKVNITZDHEB-UHFFFAOYSA-N 0 1 391.269 3.829 20 5 GHBDMN CCOc1ccc([C@H](C)NCc2ccc(N3CCCC3=O)cc2)cc1[N+](=O)[O-] ZINC000179394915 858793841 /nfs/dbraw/zinc/79/38/41/858793841.db2.gz MHDSFAIEFVOTRU-HNNXBMFYSA-N 0 1 383.448 3.971 20 5 GHBDMN CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000482408921 863065043 /nfs/dbraw/zinc/06/50/43/863065043.db2.gz PBUQJYMIOAVKBA-HNNXBMFYSA-N 0 1 379.507 3.801 20 5 GHBDMN Cc1c(CN2CCSCC2)cccc1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000172913385 858820085 /nfs/dbraw/zinc/82/00/85/858820085.db2.gz GGRVNBAXVSJTDG-UHFFFAOYSA-N 0 1 385.489 3.633 20 5 GHBDMN COc1ccc(C[C@@H](C)N2CCC(Oc3cc(C)ccn3)CC2)c([N+](=O)[O-])c1 ZINC001170353792 881388948 /nfs/dbraw/zinc/38/89/48/881388948.db2.gz DYLSCYCSHAKEIP-MRXNPFEDSA-N 0 1 385.464 3.781 20 5 GHBDMN Cc1ccc([C@H](CN2CCOCC2)N[C@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000532201514 881408096 /nfs/dbraw/zinc/40/80/96/881408096.db2.gz AHSJROUJDDPCDL-GCJKJVERSA-N 0 1 383.492 3.936 20 5 GHBDMN COCCC1CN(Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000597182963 859342574 /nfs/dbraw/zinc/34/25/74/859342574.db2.gz GTMQUVHSNKHREP-UHFFFAOYSA-N 0 1 386.448 3.651 20 5 GHBDMN Cc1ccc([C@@H](C)NCc2ccc(S(C)(=O)=O)c(Cl)c2)cc1[N+](=O)[O-] ZINC000429431407 859357427 /nfs/dbraw/zinc/35/74/27/859357427.db2.gz YXNHKQKUDMXZBL-GFCCVEGCSA-N 0 1 382.869 3.811 20 5 GHBDMN C[C@@]1(c2ccc(F)cc2)CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000483424871 859358141 /nfs/dbraw/zinc/35/81/41/859358141.db2.gz XHZQXNCVYVRZDS-HXUWFJFHSA-N 0 1 382.395 3.948 20 5 GHBDMN CCO[C@@H]1C[C@@H](N(C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)C12CCCC2 ZINC000121133943 859359955 /nfs/dbraw/zinc/35/99/55/859359955.db2.gz BNSPPLFPBIGKOO-QZTJIDSGSA-N 0 1 376.453 3.631 20 5 GHBDMN C[C@@H]1CN(C(C)(C)CNc2ccc([N+](=O)[O-])cc2C(F)(F)F)C[C@H](C)O1 ZINC000060564953 859536716 /nfs/dbraw/zinc/53/67/16/859536716.db2.gz YUOSAZVLDSEUPA-TXEJJXNPSA-N 0 1 375.391 3.913 20 5 GHBDMN CN(CCNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1ccc(F)cc1 ZINC000483842894 859657596 /nfs/dbraw/zinc/65/75/96/859657596.db2.gz RJTZPCCVGVZOFP-UHFFFAOYSA-N 0 1 380.807 3.641 20 5 GHBDMN CCN(C)C(=O)CNCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000185178703 859659027 /nfs/dbraw/zinc/65/90/27/859659027.db2.gz XJRWZCYHBRJXNC-UHFFFAOYSA-N 0 1 377.828 3.608 20 5 GHBDMN CCc1cccc(CC)c1S(=O)(=O)Nc1ccc([N+](=O)[O-])cc1COC ZINC000611278366 859679297 /nfs/dbraw/zinc/67/92/97/859679297.db2.gz PGQKFTGTKUNRMU-UHFFFAOYSA-N 0 1 378.450 3.667 20 5 GHBDMN COc1ccc(C[C@H](C)N2CCC(C(=O)OC(C)(C)C)CC2)c([N+](=O)[O-])c1 ZINC001170344320 881462237 /nfs/dbraw/zinc/46/22/37/881462237.db2.gz ABCJCEAYMVUVEU-AWEZNQCLSA-N 0 1 378.469 3.588 20 5 GHBDMN C[N@@H+](Cc1ccc2nc(NC(=O)c3cc([O-])ccc3[N+](=O)[O-])sc2c1)C1CC1 ZINC000598027837 860010018 /nfs/dbraw/zinc/01/00/18/860010018.db2.gz KZQWIXYEQTXTPC-UHFFFAOYSA-N 0 1 398.444 3.757 20 5 GHBDMN CN(C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cccs1 ZINC000123688833 860040352 /nfs/dbraw/zinc/04/03/52/860040352.db2.gz PXUUDVIOYLFQLQ-ZDUSSCGKSA-N 0 1 387.383 3.708 20 5 GHBDMN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@H](c1csc2ccccc21)c1cccnc1 ZINC000840341110 860131901 /nfs/dbraw/zinc/13/19/01/860131901.db2.gz LTPOJZQBANHGLY-SUMDDJOVSA-N 0 1 381.457 3.899 20 5 GHBDMN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CN1CCSC2(CCOCC2)C1 ZINC000602619705 860159314 /nfs/dbraw/zinc/15/93/14/860159314.db2.gz PSKBVUDSTFHSQH-UHFFFAOYSA-N 0 1 376.400 3.712 20 5 GHBDMN COCC1CN(Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000895972225 860182389 /nfs/dbraw/zinc/18/23/89/860182389.db2.gz TZVDPRGWCBJOSH-UHFFFAOYSA-N 0 1 378.432 3.526 20 5 GHBDMN Cn1cc(CNC2(c3ccc(Br)cc3)CCCC2)c([N+](=O)[O-])n1 ZINC000602790426 860271809 /nfs/dbraw/zinc/27/18/09/860271809.db2.gz FKFFFWRBMHNXLP-UHFFFAOYSA-N 0 1 379.258 3.650 20 5 GHBDMN COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000093930949 860377767 /nfs/dbraw/zinc/37/77/67/860377767.db2.gz JWNVCWJQRJRLBR-UHFFFAOYSA-N 0 1 391.232 3.849 20 5 GHBDMN Cc1ccc(-c2cc(C(=O)N(C)CCc3ccccc3[N+](=O)[O-])n[nH]2)c(C)c1 ZINC000552267914 860414696 /nfs/dbraw/zinc/41/46/96/860414696.db2.gz PAGMEXUWDVWHAZ-UHFFFAOYSA-N 0 1 378.432 3.916 20 5 GHBDMN COc1ccc([C@@H]2CCN(Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C2)cc1 ZINC000155221395 860447370 /nfs/dbraw/zinc/44/73/70/860447370.db2.gz HBFWCJMCUXASNP-MRXNPFEDSA-N 0 1 380.404 3.643 20 5 GHBDMN O=C(c1cc(F)ccc1F)C1CCN(Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000555315901 860464567 /nfs/dbraw/zinc/46/45/67/860464567.db2.gz ZEZVHZLZUTVCAU-UHFFFAOYSA-N 0 1 376.359 3.674 20 5 GHBDMN O=C(NCCCc1ccccc1)c1ccccc1OC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000729918695 860465674 /nfs/dbraw/zinc/46/56/74/860465674.db2.gz DTADYXOJPONKDA-UHFFFAOYSA-N 0 1 393.399 3.505 20 5 GHBDMN COc1cc(S(=O)(=O)Nc2cccc(CC(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000125070558 860571632 /nfs/dbraw/zinc/57/16/32/860571632.db2.gz OJOIGRYJCAOBKO-UHFFFAOYSA-N 0 1 390.339 3.509 20 5 GHBDMN Cc1nn(CN2CCC[C@@H]2Cn2cnc3ccccc32)c2cc([N+](=O)[O-])ccc12 ZINC000761291964 860623905 /nfs/dbraw/zinc/62/39/05/860623905.db2.gz LBJGTOZKRJCLBU-QGZVFWFLSA-N 0 1 390.447 3.725 20 5 GHBDMN C[C@@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000192851785 860909363 /nfs/dbraw/zinc/90/93/63/860909363.db2.gz KCTYCNFYTRROGU-LLVKDONJSA-N 0 1 378.226 3.647 20 5 GHBDMN C[C@H](CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)N1CCc2ccccc2C1 ZINC000025634747 860939788 /nfs/dbraw/zinc/93/97/88/860939788.db2.gz HFSHFIFQNICWHF-CVEARBPZSA-N 0 1 399.516 3.638 20 5 GHBDMN CC[NH+](CC)Cc1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000444061205 863237061 /nfs/dbraw/zinc/23/70/61/863237061.db2.gz ADVAZFBDRICIQS-UHFFFAOYSA-N 0 1 377.466 3.546 20 5 GHBDMN COc1ccccc1[C@H](O)CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000172114969 863237140 /nfs/dbraw/zinc/23/71/40/863237140.db2.gz BURAVSVUYJBXNU-QGZVFWFLSA-N 0 1 385.445 3.550 20 5 GHBDMN Cc1ccc(-c2cc(C(=O)OCc3cnc(-c4ccc([N+](=O)[O-])cc4)o3)[nH]n2)o1 ZINC000172315469 863447439 /nfs/dbraw/zinc/44/74/39/863447439.db2.gz ZWGFFBRHXUANFA-UHFFFAOYSA-N 0 1 394.343 3.898 20 5 GHBDMN C[C@@H]1SCCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000522835201 863519081 /nfs/dbraw/zinc/51/90/81/863519081.db2.gz NOFADVNBOXNXLZ-ZAAXVRCTSA-N 0 1 388.489 3.513 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)CC(C)(C)c1ccc(C)cc1 ZINC000444172690 863605219 /nfs/dbraw/zinc/60/52/19/863605219.db2.gz ZYZIMKGMQWDAJD-UHFFFAOYSA-N 0 1 385.464 3.760 20 5 GHBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C[C@@H]1CCCO1)C1CCC(C)CC1 ZINC000444214134 863687182 /nfs/dbraw/zinc/68/71/82/863687182.db2.gz QUHASRXYRRJSMH-VJFUWPCTSA-N 0 1 389.496 3.901 20 5 GHBDMN CCc1[nH]nc(C(=O)N2Cc3ccccc3C[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000444297361 863831878 /nfs/dbraw/zinc/83/18/78/863831878.db2.gz YAAYUIBLVSCCMA-GOSISDBHSA-N 0 1 376.416 3.820 20 5 GHBDMN C[C@@H]1C[C@H](c2ccc(F)cc2)CN1Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000172905108 864105496 /nfs/dbraw/zinc/10/54/96/864105496.db2.gz DCZQPHKYNICZLB-PBHICJAKSA-N 0 1 381.411 3.828 20 5 GHBDMN C[C@@H](C(=O)N1CCC[C@@H]1c1cccs1)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000554834604 865014699 /nfs/dbraw/zinc/01/46/99/865014699.db2.gz KFQMULSGGKYRFT-MAUKXSAKSA-N 0 1 387.505 3.883 20 5 GHBDMN O=[N+]([O-])c1ccccc1/C=C/CN1CCC2(CC1)C[C@@H](O)c1ccccc1O2 ZINC000897267787 865037977 /nfs/dbraw/zinc/03/79/77/865037977.db2.gz PRKVMNRUWUOPNV-ZEZYUPADSA-N 0 1 380.444 3.959 20 5 GHBDMN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(OC3CCCC3)nc2)cc1C ZINC000608874735 865776368 /nfs/dbraw/zinc/77/63/68/865776368.db2.gz CCBYIGHDEWKFRG-UHFFFAOYSA-N 0 1 391.449 3.729 20 5 GHBDMN O=C(N[C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1n[nH]cc1[N+](=O)[O-] ZINC000444429301 866261642 /nfs/dbraw/zinc/26/16/42/866261642.db2.gz CMMIUVZRDTXUAK-VIFPVBQESA-N 0 1 396.247 3.760 20 5 GHBDMN Cc1[nH]nc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)c1[N+](=O)[O-] ZINC000475553790 866263845 /nfs/dbraw/zinc/26/38/45/866263845.db2.gz GOTCCBXTTNIRAI-UHFFFAOYSA-N 0 1 382.342 3.665 20 5 GHBDMN O=C(CCCc1cc(F)ccc1F)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000534205724 866269788 /nfs/dbraw/zinc/26/97/88/866269788.db2.gz WANCQRHWHCSHES-UHFFFAOYSA-N 0 1 387.346 3.620 20 5 GHBDMN COc1ccc(C[N@H+]2CCC[C@H]2Cn2c(C)nc3ccccc32)cc1[N+](=O)[O-] ZINC000534472012 866875587 /nfs/dbraw/zinc/87/55/87/866875587.db2.gz DWKCCFTXOXPBCJ-KRWDZBQOSA-N 0 1 380.448 3.926 20 5 GHBDMN COc1ccccc1CC1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000523261645 866955034 /nfs/dbraw/zinc/95/50/34/866955034.db2.gz DRVLZIVNPFLFKF-UHFFFAOYSA-N 0 1 394.431 3.575 20 5 GHBDMN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccccc1CN1CCSCC1 ZINC000138574492 867435197 /nfs/dbraw/zinc/43/51/97/867435197.db2.gz GCMRPRFGFSUFQG-JXMROGBWSA-N 0 1 383.473 3.796 20 5 GHBDMN Cc1nc(-c2ccccc2)sc1[C@H](C)NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000183726051 867558251 /nfs/dbraw/zinc/55/82/51/867558251.db2.gz XRUNUNRQOQCLMB-LBPRGKRZSA-N 0 1 396.472 3.976 20 5 GHBDMN Cc1ccc([C@H](C)N[C@@H](C)c2cc(S(N)(=O)=O)c(C)cc2C)cc1[N+](=O)[O-] ZINC000479410184 867734161 /nfs/dbraw/zinc/73/41/61/867734161.db2.gz RAOKFEKUZBWJHN-GJZGRUSLSA-N 0 1 391.493 3.579 20 5 GHBDMN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc2cncn2c1 ZINC000457970476 869039869 /nfs/dbraw/zinc/03/98/69/869039869.db2.gz BCCZTQXLNPUZOB-UHFFFAOYSA-N 0 1 384.461 3.921 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@H]1CCc2ccccc21 ZINC000462457236 869489016 /nfs/dbraw/zinc/48/90/16/869489016.db2.gz UWDCGMKAPVNNIE-ZDUSSCGKSA-N 0 1 387.244 3.867 20 5 GHBDMN O=[N+]([O-])c1ccc(CN2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)c(F)c1 ZINC000539763636 869735441 /nfs/dbraw/zinc/73/54/41/869735441.db2.gz VEHWPDHZYICCCQ-MRXNPFEDSA-N 0 1 381.411 3.899 20 5 GHBDMN Cn1ccnc1[C@@H](NC1CCC2(CC2(F)F)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000595098369 870001136 /nfs/dbraw/zinc/00/11/36/870001136.db2.gz PFDWBLVUGFGZHB-HQVVEAJESA-N 0 1 376.407 3.975 20 5 GHBDMN Cc1ccc(NC(=O)c2ccc(N3CC[C@@H](N4CC=CC4)C3)c([N+](=O)[O-])c2)cc1 ZINC000462893810 870314386 /nfs/dbraw/zinc/31/43/86/870314386.db2.gz FOTYTMZBLAHQIL-LJQANCHMSA-N 0 1 392.459 3.606 20 5 GHBDMN O=[N+]([O-])c1cccc([C@@H](NC[C@@H](O)COc2ccccc2)c2ccccc2)c1 ZINC000538716143 870401630 /nfs/dbraw/zinc/40/16/30/870401630.db2.gz BVGPPKHOHHRFEF-IRLDBZIGSA-N 0 1 378.428 3.714 20 5 GHBDMN O=C(NCCNc1ccc([N+](=O)[O-])cc1)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000540082489 870408266 /nfs/dbraw/zinc/40/82/66/870408266.db2.gz NJFBSDCKZVRABG-UHFFFAOYSA-N 0 1 390.350 3.642 20 5 GHBDMN CCCc1c(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cnn1-c1cccc(C)c1 ZINC000446977544 870800672 /nfs/dbraw/zinc/80/06/72/870800672.db2.gz PBWYXCVMQNDJLO-UHFFFAOYSA-N 0 1 380.404 3.999 20 5 GHBDMN COC(=O)[C@H]1CCCC[C@@]1(C)NCc1c(Br)cccc1[N+](=O)[O-] ZINC001193032548 870857050 /nfs/dbraw/zinc/85/70/50/870857050.db2.gz DWZFWGSYKUOYOP-MLGOLLRUSA-N 0 1 385.258 3.569 20 5 GHBDMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000447076716 870996020 /nfs/dbraw/zinc/99/60/20/870996020.db2.gz ODZOKSRMAVOALP-UHFFFAOYSA-N 0 1 388.471 3.974 20 5 GHBDMN CCOc1ccc([C@@H](C)NCC(=O)Nc2c(C)cccc2[N+](=O)[O-])cc1OC ZINC000540366256 871125012 /nfs/dbraw/zinc/12/50/12/871125012.db2.gz LXHMLUZLGNJHBL-CQSZACIVSA-N 0 1 387.436 3.600 20 5 GHBDMN CN(C(=O)CNC1(c2ccc(F)cc2F)CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000540428400 871260803 /nfs/dbraw/zinc/26/08/03/871260803.db2.gz VGGOYNLMQVKQOB-UHFFFAOYSA-N 0 1 389.402 3.895 20 5 GHBDMN CCN(C)[C@@H](C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 ZINC000525729216 871306644 /nfs/dbraw/zinc/30/66/44/871306644.db2.gz POEYHTTZAHJGED-OAQYLSRUSA-N 0 1 397.475 3.658 20 5 GHBDMN CN(CC(=O)Nc1ccc2nc(-c3ccco3)[nH]c2c1)c1ccccc1[N+](=O)[O-] ZINC000463281411 871322204 /nfs/dbraw/zinc/32/22/04/871322204.db2.gz HLRHAXBVPUQXOV-UHFFFAOYSA-N 0 1 391.387 3.806 20 5 GHBDMN COc1ccc([C@H](NC(=O)CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C2CC2)cc1 ZINC000181841116 871536688 /nfs/dbraw/zinc/53/66/88/871536688.db2.gz ZZIMFFBYRZHWBE-OYHNWAKOSA-N 0 1 397.475 3.830 20 5 GHBDMN O=C(NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)c1ccc(CN2CCCCC2)o1 ZINC001169725740 871780916 /nfs/dbraw/zinc/78/09/16/871780916.db2.gz LVDPBFZYNKQEAO-UHFFFAOYSA-N 0 1 395.818 3.896 20 5 GHBDMN Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000475713931 882611560 /nfs/dbraw/zinc/61/15/60/882611560.db2.gz KYTQXTMZRIKJBK-CQSZACIVSA-N 0 1 397.431 3.876 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H](c1ccc(Cl)cc1)N(C)C ZINC000527089257 872627853 /nfs/dbraw/zinc/62/78/53/872627853.db2.gz JYUCSFZPNPSYEB-QGZVFWFLSA-N 0 1 376.844 3.981 20 5 GHBDMN CC[C@H](NCc1ccc([N+](=O)[O-])cc1F)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000478252114 872735495 /nfs/dbraw/zinc/73/54/95/872735495.db2.gz GZLROZDIYLELLK-VQTJNVASSA-N 0 1 383.427 3.792 20 5 GHBDMN CC(C)(C)OC(=O)CC1(NCc2ccc([N+](=O)[O-])cc2Cl)CCOCC1 ZINC000595539822 872813847 /nfs/dbraw/zinc/81/38/47/872813847.db2.gz DUWQEZONLOFIBU-UHFFFAOYSA-N 0 1 384.860 3.619 20 5 GHBDMN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000768542007 873373769 /nfs/dbraw/zinc/37/37/69/873373769.db2.gz CKLYIMAYKFNULQ-BBRMVZONSA-N 0 1 379.457 3.568 20 5 GHBDMN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000768542007 873373779 /nfs/dbraw/zinc/37/37/79/873373779.db2.gz CKLYIMAYKFNULQ-BBRMVZONSA-N 0 1 379.457 3.568 20 5 GHBDMN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000768542007 873373788 /nfs/dbraw/zinc/37/37/88/873373788.db2.gz CKLYIMAYKFNULQ-BBRMVZONSA-N 0 1 379.457 3.568 20 5 GHBDMN O=[N+]([O-])c1ccc2nc(NCc3n[nH]c(COc4ccccc4)n3)sc2c1 ZINC000770222463 874530702 /nfs/dbraw/zinc/53/07/02/874530702.db2.gz PKOXNWYMRHZMLP-UHFFFAOYSA-N 0 1 382.405 3.514 20 5 GHBDMN CN(C)Cc1ccc(NCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1F ZINC000770601473 874787607 /nfs/dbraw/zinc/78/76/07/874787607.db2.gz ODWBLQKCLWQLFM-UHFFFAOYSA-N 0 1 383.427 3.808 20 5 GHBDMN C[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccc(OCc2cccnc2)cc1 ZINC000542199082 875129405 /nfs/dbraw/zinc/12/94/05/875129405.db2.gz KYEVWGOFVJWAJB-CQSZACIVSA-N 0 1 393.399 3.765 20 5 GHBDMN CN(Cc1cc(Cl)cc(Cl)c1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000542208662 875183516 /nfs/dbraw/zinc/18/35/16/875183516.db2.gz ICCOTYDQWDPMOK-OAHLLOKOSA-N 0 1 385.247 3.773 20 5 GHBDMN COc1cccc(-c2nc(C)c(C(=O)OCCOc3ccc([N+](=O)[O-])cc3)[nH]2)c1 ZINC000772082199 875661206 /nfs/dbraw/zinc/66/12/06/875661206.db2.gz NCVPKTZAFXAIBA-UHFFFAOYSA-N 0 1 397.387 3.538 20 5 GHBDMN CN(Cc1nc2c(s1)CCCC2)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000450082507 875930847 /nfs/dbraw/zinc/93/08/47/875930847.db2.gz SALZWFFADIWKRR-UHFFFAOYSA-N 0 1 397.460 3.592 20 5 GHBDMN CCOc1cc(CN2CCC(C(=O)NCc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000492414683 876765336 /nfs/dbraw/zinc/76/53/36/876765336.db2.gz BUHZYENMIRCRHN-UHFFFAOYSA-N 0 1 397.475 3.522 20 5 GHBDMN CC1(N2CCOCC2)CCN(C(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000529913302 876840728 /nfs/dbraw/zinc/84/07/28/876840728.db2.gz GTNIHCJNPSCNRH-UHFFFAOYSA-N 0 1 389.499 3.715 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H](C)c1ccc(N2CCCNC2=O)cc1 ZINC000850471060 876949671 /nfs/dbraw/zinc/94/96/71/876949671.db2.gz LUZREYGNTAXVBS-CABCVRRESA-N 0 1 398.463 3.935 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H](C)c1ccc(N2CCNC2=O)cc1 ZINC000850475674 876953427 /nfs/dbraw/zinc/95/34/27/876953427.db2.gz BJLVFNHZHYPEEF-KGLIPLIRSA-N 0 1 384.436 3.545 20 5 GHBDMN CN(c1nc2ccccc2cc1[N+](=O)[O-])C1CCN(CCC(F)(F)F)CC1 ZINC000450952112 877088643 /nfs/dbraw/zinc/08/86/43/877088643.db2.gz RTOZSXFGVWPVES-UHFFFAOYSA-N 0 1 382.386 3.996 20 5 GHBDMN CC(C)(C(=O)NC1CCN(Cc2ccc(F)cc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000610061444 877346504 /nfs/dbraw/zinc/34/65/04/877346504.db2.gz OTIWZTLKAHSAKA-UHFFFAOYSA-N 0 1 399.466 3.792 20 5 GHBDMN CCOc1cc(CN2CCC[C@@H](C(=O)Nc3ccc(C)cn3)C2)ccc1[N+](=O)[O-] ZINC000492725414 877425275 /nfs/dbraw/zinc/42/52/75/877425275.db2.gz XNJSKARURKAWJS-QGZVFWFLSA-N 0 1 398.463 3.548 20 5 GHBDMN CCOc1cc(CN2CCC(O)(Cc3ccc(F)cc3)CC2)ccc1[N+](=O)[O-] ZINC000492818693 877620564 /nfs/dbraw/zinc/62/05/64/877620564.db2.gz PEHSSKJHIBBRQE-UHFFFAOYSA-N 0 1 388.439 3.702 20 5 GHBDMN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCCS(=O)(=O)c1ccc(Cl)cc1)CCC2 ZINC000192761402 877639384 /nfs/dbraw/zinc/63/93/84/877639384.db2.gz RDBSNUZPOAMUBO-SFHVURJKSA-N 0 1 394.880 3.689 20 5 GHBDMN COc1ccc(CC(=O)Nc2ccc3nc(C4CCC4)[nH]c3c2)cc1[N+](=O)[O-] ZINC000067922806 877670284 /nfs/dbraw/zinc/67/02/84/877670284.db2.gz MYXQVSPXWHXIFE-UHFFFAOYSA-N 0 1 380.404 3.928 20 5 GHBDMN CN(C)[C@H](CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21)c1ccc(Cl)cc1 ZINC000530590784 878134124 /nfs/dbraw/zinc/13/41/24/878134124.db2.gz ZOZHSTTYBNGNND-GOSISDBHSA-N 0 1 386.839 3.762 20 5 GHBDMN O=[N+]([O-])c1ccc([C@H](O)CN2CCC(c3nc(-c4ccccc4)no3)CC2)cc1 ZINC000776582580 878165115 /nfs/dbraw/zinc/16/51/15/878165115.db2.gz VNBGHQXDKBIAIM-LJQANCHMSA-N 0 1 394.431 3.558 20 5 GHBDMN CCCc1[nH]nc(C(=O)N2CCC(c3nc4ccccc4s3)CC2)c1[N+](=O)[O-] ZINC000068259268 878202509 /nfs/dbraw/zinc/20/25/09/878202509.db2.gz WOFFCAFYNABVEP-UHFFFAOYSA-N 0 1 399.476 3.900 20 5 GHBDMN C[C@H](Nc1cccc(CN2C[C@@H](C)O[C@H](C)C2)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788704248 878267253 /nfs/dbraw/zinc/26/72/53/878267253.db2.gz NVDWSZFTLAUJFH-OAGGEKHMSA-N 0 1 384.480 3.959 20 5 GHBDMN O=[N+]([O-])c1cccc(CN2C[C@]34COC[C@@]3(C2)CCCC4)c1Br ZINC000852758222 878581131 /nfs/dbraw/zinc/58/11/31/878581131.db2.gz BRHPUKPOFMPKDP-CALCHBBNSA-N 0 1 381.270 3.750 20 5 GHBDMN COCCC1CN(Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000597184415 878703473 /nfs/dbraw/zinc/70/34/73/878703473.db2.gz WAQJGJNJPODZBS-UHFFFAOYSA-N 0 1 392.459 3.916 20 5 GHBDMN Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CC[C@H](CCCO)C2)c([N+](=O)[O-])c1 ZINC000452121924 878969579 /nfs/dbraw/zinc/96/95/79/878969579.db2.gz HCLFTSIGDWKWCZ-UWJYYQICSA-N 0 1 397.475 3.677 20 5 GHBDMN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000031565077 879702619 /nfs/dbraw/zinc/70/26/19/879702619.db2.gz QPKSTNNYGFVAMD-MRXNPFEDSA-N 0 1 385.489 3.711 20 5 GHBDMN CC(C)(C)c1ccc(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000493973683 879792474 /nfs/dbraw/zinc/79/24/74/879792474.db2.gz YDNIMASBKMOKPI-SFHVURJKSA-N 0 1 381.476 3.897 20 5 GHBDMN COc1cc(S(=O)(=O)Nc2ccc3oc(C(C)C)nc3c2)ccc1[N+](=O)[O-] ZINC000531582639 880158478 /nfs/dbraw/zinc/15/84/78/880158478.db2.gz XQOQTPGOUCKXFH-UHFFFAOYSA-N 0 1 391.405 3.669 20 5 GHBDMN CCN(CC)[C@@H](CNC(=O)c1ccc(N)c([N+](=O)[O-])c1)c1ccccc1Cl ZINC000010138454 880394677 /nfs/dbraw/zinc/39/46/77/880394677.db2.gz YVGNEQXOOGVWST-SFHVURJKSA-N 0 1 390.871 3.643 20 5 GHBDMN CCOc1ccc(C2=CCN(C[C@H](O)COc3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000509486223 880852974 /nfs/dbraw/zinc/85/29/74/880852974.db2.gz XCXXEWQTQWAWHE-FQEVSTJZSA-N 0 1 398.459 3.523 20 5 GHBDMN O=C([C@H]1CCCCN1Cc1ccccc1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000532031347 881005345 /nfs/dbraw/zinc/00/53/45/881005345.db2.gz IJGBQVIMXCPMTM-OAQYLSRUSA-N 0 1 379.460 3.534 20 5 GHBDMN CC[C@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1OCC(=O)N(C)C ZINC000173333270 881081902 /nfs/dbraw/zinc/08/19/02/881081902.db2.gz SYDOFCCSZLMEFS-BEFAXECRSA-N 0 1 385.464 3.864 20 5 GHBDMN COc1cc(Br)c(CNCCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000532127557 881197204 /nfs/dbraw/zinc/19/72/04/881197204.db2.gz AKSVLSPFIDVRIB-UHFFFAOYSA-N 0 1 395.253 3.707 20 5 GHBDMN CC(C)Oc1ccccc1[C@H](C)N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000609450967 883209695 /nfs/dbraw/zinc/20/96/95/883209695.db2.gz FBPAYPHFMDFLIB-KXBFYZLASA-N 0 1 383.448 3.838 20 5 GHBDMN Cc1ccc([C@H](C)NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1[N+](=O)[O-] ZINC000175119285 883287445 /nfs/dbraw/zinc/28/74/45/883287445.db2.gz AUVTTWNGSGRVKO-JTQLQIEISA-N 0 1 399.812 3.504 20 5 GHBDMN O=C(CN[C@H](CCO)c1ccc(Cl)cc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000805822372 884135973 /nfs/dbraw/zinc/13/59/73/884135973.db2.gz RPKHYLCQGYBFSJ-OAHLLOKOSA-N 0 1 398.246 3.553 20 5 GHBDMN Cc1ncc(-c2ccc(NS(=O)(=O)c3cc([N+](=O)[O-])cc(C)c3C)cc2)o1 ZINC000026540161 884420141 /nfs/dbraw/zinc/42/01/41/884420141.db2.gz ZZKJWSRDKLLYBK-UHFFFAOYSA-N 0 1 387.417 3.976 20 5 GHBDMN C[C@@H]1CCC[C@H](C)N1CC(N)=NOCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000842049036 884649714 /nfs/dbraw/zinc/64/97/14/884649714.db2.gz NPPZEEGHKBJUJZ-OKILXGFUSA-N 0 1 387.440 3.511 20 5 GHBDMN C[C@H](C(=O)[O-])[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000263440135 884869754 /nfs/dbraw/zinc/86/97/54/884869754.db2.gz WEJYKSJZVMOLSI-SECBINFHSA-N 0 1 383.198 3.522 20 5 GHBDMN C[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000263440135 884869766 /nfs/dbraw/zinc/86/97/66/884869766.db2.gz WEJYKSJZVMOLSI-SECBINFHSA-N 0 1 383.198 3.522 20 5 GHBDMN CCC[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)c1ccccn1 ZINC000795823598 912875536 /nfs/dbraw/zinc/87/55/36/912875536.db2.gz LWPNZXGIBQKFLO-ZDUSSCGKSA-N 0 1 387.820 3.602 20 5 GHBDMN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)c1cc(-c2ccco2)n[nH]1 ZINC000556468155 885043047 /nfs/dbraw/zinc/04/30/47/885043047.db2.gz FYUGOTRWGOZHOG-UHFFFAOYSA-N 0 1 377.154 3.593 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000153396849 885060619 /nfs/dbraw/zinc/06/06/19/885060619.db2.gz AUCIDVQXFOBZJK-YWZLYKJASA-N 0 1 383.448 3.872 20 5 GHBDMN CN(C)c1cccc([C@H]2CCCN2Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000117864363 885113831 /nfs/dbraw/zinc/11/38/31/885113831.db2.gz ZVRVSVLZPHYOSV-HXUWFJFHSA-N 0 1 392.463 3.714 20 5 GHBDMN Cc1ccc(CN2CC[C@H](N[C@@H]3CCCc4ccc([N+](=O)[O-])cc43)C2=O)cc1 ZINC000193354057 885670256 /nfs/dbraw/zinc/67/02/56/885670256.db2.gz PTUJNNFRJKRVDW-RTWAWAEBSA-N 0 1 379.460 3.671 20 5 GHBDMN CCOc1ccc([C@@H](C)NCc2ccc(C[S@](C)=O)cc2)cc1[N+](=O)[O-] ZINC000556910856 886652032 /nfs/dbraw/zinc/65/20/32/886652032.db2.gz FEDYIQPEGUYDHG-PTFIGZPYSA-N 0 1 376.478 3.723 20 5 GHBDMN Cc1cccc(C)c1NC(=O)CCCN1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000153236562 887054755 /nfs/dbraw/zinc/05/47/55/887054755.db2.gz JZDAVMDWHRCAOQ-UHFFFAOYSA-N 0 1 396.491 3.753 20 5 GHBDMN O=[N+]([O-])c1cc(CN[C@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)cs1 ZINC000153653101 887213552 /nfs/dbraw/zinc/21/35/52/887213552.db2.gz RLUUIOKGJITYNF-ZDUSSCGKSA-N 0 1 383.355 3.672 20 5 GHBDMN O=[N+]([O-])c1cc(Br)ccc1CN1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000322464663 887539610 /nfs/dbraw/zinc/53/96/10/887539610.db2.gz MRRAYJLACZCAAM-INMHGKMJSA-N 0 1 383.286 3.873 20 5 GHBDMN CN(C)[C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1Cl)c1ccc(F)cc1 ZINC000809913519 887935937 /nfs/dbraw/zinc/93/59/37/887935937.db2.gz MRCLTBLXZANAIA-HNNXBMFYSA-N 0 1 380.807 3.812 20 5 GHBDMN COc1cccc(C(=O)Nc2ccc3nc([C@H]4CCCO4)[nH]c3c2)c1[N+](=O)[O-] ZINC000194146968 888072248 /nfs/dbraw/zinc/07/22/48/888072248.db2.gz JQAPGEAGUUOJLV-MRXNPFEDSA-N 0 1 382.376 3.584 20 5 GHBDMN O=C(NCc1ccc(Nc2ccncc2)cc1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001168506150 888327422 /nfs/dbraw/zinc/32/74/22/888327422.db2.gz XCLPASUTVSXSGE-UHFFFAOYSA-N 0 1 382.807 3.739 20 5 GHBDMN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@@H](c2ccccc2)c2ccc(F)cc2)c1 ZINC000532703196 888350698 /nfs/dbraw/zinc/35/06/98/888350698.db2.gz JRBMQJOHDBCUCV-IRLDBZIGSA-N 0 1 396.418 3.853 20 5 GHBDMN C[C@@](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)(c1ccc(F)cc1)C(F)(F)F ZINC001127402228 888408984 /nfs/dbraw/zinc/40/89/84/888408984.db2.gz TWUOVWVNYLBUII-MRXNPFEDSA-N 0 1 396.300 3.818 20 5 GHBDMN CC[C@H](C)CCC(=O)N(C)c1cc([N+](=O)[O-])cc(N2CCN(CC)CC2)c1 ZINC001132279799 888530592 /nfs/dbraw/zinc/53/05/92/888530592.db2.gz RZFMRENFMGLJHT-INIZCTEOSA-N 0 1 376.501 3.526 20 5 GHBDMN COc1cc(CNCc2ccc(C)c([N+](=O)[O-])c2)cc(OC)c1OCC(F)F ZINC000865787900 888575844 /nfs/dbraw/zinc/57/58/44/888575844.db2.gz UXBIQVUPZHYOIN-UHFFFAOYSA-N 0 1 396.390 3.854 20 5 GHBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000795104700 890268812 /nfs/dbraw/zinc/26/88/12/890268812.db2.gz ZISXVIXDUDVDIE-QGPMSJSTSA-N 0 1 375.469 3.987 20 5 GHBDMN COc1ccc(NC(=O)[C@@H](C)N[C@@H](c2ncccc2C)C(C)C)c([N+](=O)[O-])c1 ZINC000533381689 890390520 /nfs/dbraw/zinc/39/05/20/890390520.db2.gz WLYMKTHTXKZQBN-RDTXWAMCSA-N 0 1 386.452 3.621 20 5 GHBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1c(C)noc1-c1ccccc1 ZINC000126475939 890554815 /nfs/dbraw/zinc/55/48/15/890554815.db2.gz JCBQATXUSODUNJ-UHFFFAOYSA-N 0 1 387.417 3.921 20 5 GHBDMN O=[N+]([O-])c1ccccc1CCNCc1c(F)ccc(C2OCCO2)c1Cl ZINC000812834847 891021603 /nfs/dbraw/zinc/02/16/03/891021603.db2.gz FSIVXIYGXBCTLX-UHFFFAOYSA-N 0 1 380.803 3.765 20 5 GHBDMN CCN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H](C)[C@H](O)c1ccccc1 ZINC000812847847 891039354 /nfs/dbraw/zinc/03/93/54/891039354.db2.gz FRBPHLJESWGBFG-KUHUBIRLSA-N 0 1 382.420 3.589 20 5 GHBDMN Cc1c(NC(=O)[C@H](C)N[C@@H](C)c2ccc(C(F)(F)F)nc2)cccc1[N+](=O)[O-] ZINC000871935088 891092281 /nfs/dbraw/zinc/09/22/81/891092281.db2.gz QTEZATCDZUUUHV-RYUDHWBXSA-N 0 1 396.369 3.995 20 5 GHBDMN C[C@](O)(CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccsc1 ZINC000124123399 891275805 /nfs/dbraw/zinc/27/58/05/891275805.db2.gz YABDTHZTYJJNSF-KRWDZBQOSA-N 0 1 375.475 3.777 20 5 GHBDMN CC(C)c1n[nH]c(COC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)n1 ZINC000813899493 892081783 /nfs/dbraw/zinc/08/17/83/892081783.db2.gz FOBIUTGUTKFWME-UHFFFAOYSA-N 0 1 395.419 3.805 20 5 GHBDMN CC(C)c1nc(COC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)n[nH]1 ZINC000813899493 892081802 /nfs/dbraw/zinc/08/18/02/892081802.db2.gz FOBIUTGUTKFWME-UHFFFAOYSA-N 0 1 395.419 3.805 20 5 GHBDMN CC(C)(C)OC(=O)N1CC[C@@H]2CN(C/C=C/c3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000814175949 892329147 /nfs/dbraw/zinc/32/91/47/892329147.db2.gz KTNKAUIIYCVUEY-VZUWTINFSA-N 0 1 387.480 3.939 20 5 GHBDMN O=C(OCc1c(Cl)nc(Cl)n1-c1ccccc1)c1ccc([N+](=O)[O-])[nH]1 ZINC000917952392 892859226 /nfs/dbraw/zinc/85/92/26/892859226.db2.gz PFXHYKGVKKXAFK-UHFFFAOYSA-N 0 1 381.175 3.772 20 5 GHBDMN O=[N+]([O-])c1ccccc1N1CCN(C[C@H](O)c2cccc3ccccc32)CC1 ZINC000815015521 893340973 /nfs/dbraw/zinc/34/09/73/893340973.db2.gz IYKVQKHYIZCITP-QFIPXVFZSA-N 0 1 377.444 3.604 20 5 GHBDMN O=C1C[C@@]2(CN1)CCCN(Cc1ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c1)C2 ZINC000536681642 893492477 /nfs/dbraw/zinc/49/24/77/893492477.db2.gz ORYLXTROGZZFSJ-OAQYLSRUSA-N 0 1 399.422 3.628 20 5 GHBDMN Cn1ccnc1[C@H](NCCc1c[nH]c2cc(F)ccc12)c1ccc([N+](=O)[O-])cc1 ZINC000563229138 893501849 /nfs/dbraw/zinc/50/18/49/893501849.db2.gz AJCOOAQRQQYGBM-HXUWFJFHSA-N 0 1 393.422 3.870 20 5 GHBDMN COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(OC(C)C)c(C)c1 ZINC000536701647 893574249 /nfs/dbraw/zinc/57/42/49/893574249.db2.gz PKIXVCKJJXOWJH-UHFFFAOYSA-N 0 1 394.449 3.638 20 5 GHBDMN O=[N+]([O-])c1ccccc1OCCN1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000536713232 893589305 /nfs/dbraw/zinc/58/93/05/893589305.db2.gz LPXHJIIFABSMQW-UHFFFAOYSA-N 0 1 382.416 3.534 20 5 GHBDMN CCO[C@@H]1C[C@@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H]1Sc1ccccc1 ZINC000459513535 893671377 /nfs/dbraw/zinc/67/13/77/893671377.db2.gz RWZKFYQOYAVKAR-QWFCFKBJSA-N 0 1 398.488 3.899 20 5 GHBDMN COc1cc(CN[C@H](c2ccncc2)C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000934697546 893824617 /nfs/dbraw/zinc/82/46/17/893824617.db2.gz JWZLMWPSJPJNKX-IBGZPJMESA-N 0 1 393.390 3.883 20 5 GHBDMN C[C@H](NCc1cccc(C(=O)NCc2ccco2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000536875531 893988617 /nfs/dbraw/zinc/98/86/17/893988617.db2.gz HQHWOZHJSPWEME-HNNXBMFYSA-N 0 1 379.416 3.969 20 5 GHBDMN CSC[C@@H]1CCCN(Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC000878647351 894481754 /nfs/dbraw/zinc/48/17/54/894481754.db2.gz LTQACGNNQQVSLG-LLVKDONJSA-N 0 1 382.873 3.873 20 5 GHBDMN Cc1cc(N2CCC[C@H](N3CCOCC3)CC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000564469838 895017538 /nfs/dbraw/zinc/01/75/38/895017538.db2.gz INKKHNBSCOTDBF-AWEZNQCLSA-N 0 1 387.402 3.613 20 5 GHBDMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000816833442 895093835 /nfs/dbraw/zinc/09/38/35/895093835.db2.gz ITNFHLXJUQPBGE-UHFFFAOYSA-N 0 1 388.855 3.561 20 5 GHBDMN O=[N+]([O-])c1ccccc1-c1nnc(C[N@H+]2CC[C@@]3(CCc4ccccc43)C2)o1 ZINC000879996633 895437299 /nfs/dbraw/zinc/43/72/99/895437299.db2.gz KINYGSGLUBOWND-NRFANRHFSA-N 0 1 376.416 3.735 20 5 GHBDMN O=[N+]([O-])c1ccccc1-c1nnc(CN2CC[C@@]3(CCc4ccccc43)C2)o1 ZINC000879996633 895437308 /nfs/dbraw/zinc/43/73/08/895437308.db2.gz KINYGSGLUBOWND-NRFANRHFSA-N 0 1 376.416 3.735 20 5 GHBDMN Cc1c(CN2CCC3(CCN3C(=O)OC(C)(C)C)CC2)cccc1[N+](=O)[O-] ZINC000817286939 895438561 /nfs/dbraw/zinc/43/85/61/895438561.db2.gz OPJCFQZQUNIEOE-UHFFFAOYSA-N 0 1 375.469 3.879 20 5 GHBDMN Cc1cc(N2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000566294302 896222095 /nfs/dbraw/zinc/22/20/95/896222095.db2.gz XGOGRNPAIWCVEA-UHFFFAOYSA-N 0 1 389.839 3.577 20 5 GHBDMN CN(CCc1ccccc1[N+](=O)[O-])Cc1cc2c(cc1OC(F)F)OCO2 ZINC000566882300 896660982 /nfs/dbraw/zinc/66/09/82/896660982.db2.gz KICBKZJJGSFSOL-UHFFFAOYSA-N 0 1 380.347 3.599 20 5 GHBDMN COC(=O)/C=C\c1ccc(N[C@@H]2CCN(C)[C@H]2c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC001185818885 914127961 /nfs/dbraw/zinc/12/79/61/914127961.db2.gz FFJOAICZYFGVKO-WQRPDIJASA-N 0 1 399.422 3.777 20 5 GHBDMN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000289702234 914304888 /nfs/dbraw/zinc/30/48/88/914304888.db2.gz HFBAJODJGITWIE-CQSZACIVSA-N 0 1 384.440 3.564 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000156055844 899324065 /nfs/dbraw/zinc/32/40/65/899324065.db2.gz ZDLLWTQHBQHHCE-UHFFFAOYSA-N 0 1 386.427 3.828 20 5 GHBDMN Cc1ccc([C@H](C)NCC(=O)NCc2cccc(COC(C)C)c2)cc1[N+](=O)[O-] ZINC000572624633 900238552 /nfs/dbraw/zinc/23/85/52/900238552.db2.gz UKCIFCRGGFFBTB-KRWDZBQOSA-N 0 1 399.491 3.795 20 5 GHBDMN C[N@H+](Cc1ccccc1)CC1CCN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000844208805 900601931 /nfs/dbraw/zinc/60/19/31/900601931.db2.gz PECKQYWKAGCTAL-UHFFFAOYSA-N 0 1 397.475 3.570 20 5 GHBDMN O=C([O-])/C=C/c1ccc(NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000844209863 900603675 /nfs/dbraw/zinc/60/36/75/900603675.db2.gz YCOWJKJBZKYUDF-PDFOZTTASA-N 0 1 381.432 3.627 20 5 GHBDMN CCC[C@H]1CN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000844213429 900608435 /nfs/dbraw/zinc/60/84/35/900608435.db2.gz XXISLSRBOYCBBT-IBGZPJMESA-N 0 1 397.475 3.713 20 5 GHBDMN COc1ccc(-c2nnc(NC(=O)c3cc(F)c(F)cc3[N+](=O)[O-])s2)cc1 ZINC000136308978 900628998 /nfs/dbraw/zinc/62/89/98/900628998.db2.gz NLEZKYJDZUPXLY-UHFFFAOYSA-N 0 1 392.343 3.652 20 5 GHBDMN C[N@H+]1CCC[C@@H](CNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000574210601 900820206 /nfs/dbraw/zinc/82/02/06/900820206.db2.gz VZHHRAYABJDBDW-SUMWQHHRSA-N 0 1 375.450 3.850 20 5 GHBDMN Cc1csc([C@H](NCCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C2CC2)n1 ZINC000130016099 902884319 /nfs/dbraw/zinc/88/43/19/902884319.db2.gz MBPSYYSPFGJSPH-MRXNPFEDSA-N 0 1 378.429 3.568 20 5 GHBDMN O=[N+]([O-])c1cccc([C@@H](NC[C@@H](O)COc2cccc(F)c2)c2ccccc2)c1 ZINC000779022397 903030332 /nfs/dbraw/zinc/03/03/32/903030332.db2.gz BDWMTGZCNBCDJQ-IRLDBZIGSA-N 0 1 396.418 3.853 20 5 GHBDMN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)c1 ZINC000578750485 904100357 /nfs/dbraw/zinc/10/03/57/904100357.db2.gz NXQKVKQCVWLVDA-UHFFFAOYSA-N 0 1 396.375 3.826 20 5 GHBDMN Cc1c(NC(=O)[C@@H](C)N2CC[C@H](Cc3ccc(F)cc3)C2)cccc1[N+](=O)[O-] ZINC000579057512 904320144 /nfs/dbraw/zinc/32/01/44/904320144.db2.gz XLLHAUHMTTVOAU-NVXWUHKLSA-N 0 1 385.439 3.934 20 5 GHBDMN C[N@@H+](CCc1ccccc1[N+](=O)[O-])[C@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC000579129216 904366131 /nfs/dbraw/zinc/36/61/31/904366131.db2.gz GNYWEAFFYRFWAQ-INIZCTEOSA-N 0 1 382.338 3.914 20 5 GHBDMN Nc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc2nc(C3CCCCC3)[nH]c2c1 ZINC000579177095 904397869 /nfs/dbraw/zinc/39/78/69/904397869.db2.gz XLVWJHMLUZWQTA-UHFFFAOYSA-N 0 1 380.408 3.748 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2noc(CN3CC[C@H](COCc4ccccc4)C3)n2)cc1 ZINC000173657189 905088915 /nfs/dbraw/zinc/08/89/15/905088915.db2.gz HNBFGUUEHHOTQP-KRWDZBQOSA-N 0 1 394.431 3.684 20 5 GHBDMN CN1C(=O)C[C@H](NCc2ccc([N+](=O)[O-])c(F)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000801552085 921124871 /nfs/dbraw/zinc/12/48/71/921124871.db2.gz YBEMMGLQYLNDEW-YJBOKZPZSA-N 0 1 395.793 3.588 20 5 GHBDMN CC(C)(C)OC(=O)N1CC2(CCN2[C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172907026 905934298 /nfs/dbraw/zinc/93/42/98/905934298.db2.gz ZNDFWQLNEPRBJI-KRWDZBQOSA-N 0 1 387.480 3.537 20 5 GHBDMN CCOC[C@H]1CN([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)Cc2cn(CC)nc21 ZINC001172909483 906017102 /nfs/dbraw/zinc/01/71/02/906017102.db2.gz HXBXEUPDSRLHAN-WOJBJXKFSA-N 0 1 398.507 3.695 20 5 GHBDMN CCOC[C@@H]1CN([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)Cc2cn(CC)nc21 ZINC001172909480 906017365 /nfs/dbraw/zinc/01/73/65/906017365.db2.gz HXBXEUPDSRLHAN-VQTJNVASSA-N 0 1 398.507 3.695 20 5 GHBDMN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](NC(=O)c2cccc(F)c2)C1 ZINC001173238354 906348388 /nfs/dbraw/zinc/34/83/88/906348388.db2.gz QKJVFLWKZONHHM-DNVCBOLYSA-N 0 1 385.439 3.559 20 5 GHBDMN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000191393043 906943431 /nfs/dbraw/zinc/94/34/31/906943431.db2.gz QCHTXXCNIWHSQN-UHFFFAOYSA-N 0 1 382.464 3.951 20 5 GHBDMN C[C@H](NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)C(=O)N(C)C ZINC000191732661 907187136 /nfs/dbraw/zinc/18/71/36/907187136.db2.gz NYLZCNLIQBFSHF-LBPRGKRZSA-N 0 1 377.828 3.607 20 5 GHBDMN O=C(Cc1[nH]nc2ccccc21)OCc1ccc(Br)c([N+](=O)[O-])c1 ZINC000773401736 907188422 /nfs/dbraw/zinc/18/84/22/907188422.db2.gz JECDJGDJRMNOLA-UHFFFAOYSA-N 0 1 390.193 3.520 20 5 GHBDMN Cc1ccc([C@H](C)Nc2cccc(CN3CCC[C@@H]3C(N)=O)c2)cc1[N+](=O)[O-] ZINC000183002101 907309648 /nfs/dbraw/zinc/30/96/48/907309648.db2.gz GDXFCUXSXOIZEE-HNAYVOBHSA-N 0 1 382.464 3.526 20 5 GHBDMN CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CCC[C@@H](C)[C@H]2CO)cc1OC ZINC001175004204 907321844 /nfs/dbraw/zinc/32/18/44/907321844.db2.gz OBSWEGLVMGFKMA-IIDMSEBBSA-N 0 1 380.485 3.621 20 5 GHBDMN CCc1[nH]nc(C(=O)N2CC[C@H](c3cccc(Cl)c3)C2(C)C)c1[N+](=O)[O-] ZINC001176904065 908314777 /nfs/dbraw/zinc/31/47/77/908314777.db2.gz MYYNXJJWQUPQQV-CYBMUJFWSA-N 0 1 376.844 3.942 20 5 GHBDMN Cc1cc(C)n(-c2ccc(CN[C@@H]3CCCc4ccc([N+](=O)[O-])cc43)cn2)n1 ZINC000192690882 908814148 /nfs/dbraw/zinc/81/41/48/908814148.db2.gz OLZKCJSPSHPUQW-HXUWFJFHSA-N 0 1 377.448 3.960 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2cnn(CN3CC[C@H](COc4ccccc4)C3)c2)cc1 ZINC000779884479 909060656 /nfs/dbraw/zinc/06/06/56/909060656.db2.gz JMMQITKMLZRFFV-KRWDZBQOSA-N 0 1 378.432 3.817 20 5 GHBDMN Cc1c(CN[C@H]2CCCN([C@H](C)c3ccc(F)cc3)C2=O)cccc1[N+](=O)[O-] ZINC001178791366 909230004 /nfs/dbraw/zinc/23/00/04/909230004.db2.gz ZBLXUFWIJPKINS-BEFAXECRSA-N 0 1 385.439 3.884 20 5 GHBDMN CN(Cc1cc(Cl)ccc1[N+](=O)[O-])C1CCN(C(=O)c2ccccc2)CC1 ZINC000266921189 909338572 /nfs/dbraw/zinc/33/85/72/909338572.db2.gz IISWGJXSTYYTQO-UHFFFAOYSA-N 0 1 387.867 3.985 20 5 GHBDMN COc1cc(CN[C@@H]2C[C@@H](C)O[C@@H]2C)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC001179347720 909476244 /nfs/dbraw/zinc/47/62/44/909476244.db2.gz BTZMUFFRDMDLHM-IIDMSEBBSA-N 0 1 386.448 3.838 20 5 GHBDMN COc1ccc(NC(=O)[C@@H](C)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(OC)c1 ZINC000267652205 909574790 /nfs/dbraw/zinc/57/47/90/909574790.db2.gz MEEFEWBRGJFNGX-UONOGXRCSA-N 0 1 387.436 3.598 20 5 GHBDMN Cc1ccc(CN2CCSCC2)cc1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000299652412 921551231 /nfs/dbraw/zinc/55/12/31/921551231.db2.gz JRVQQTZSRWXHDK-UHFFFAOYSA-N 0 1 377.491 3.766 20 5 GHBDMN CN(CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O)[C@H]1CCC(C)(C)C1 ZINC000795454244 910391951 /nfs/dbraw/zinc/39/19/51/910391951.db2.gz CJMZLLWSCSRBSX-LBPRGKRZSA-N 0 1 396.285 3.781 20 5 GHBDMN O=C(CCc1ccc(Cl)c(F)c1)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC001182600653 911915375 /nfs/dbraw/zinc/91/53/75/911915375.db2.gz ROBCTRZKYUJHCQ-UHFFFAOYSA-N 0 1 389.774 3.744 20 5 GHBDMN CN(C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccsc1 ZINC000294091620 916579983 /nfs/dbraw/zinc/57/99/83/916579983.db2.gz OEQVIWBFGIBWFN-AWEZNQCLSA-N 0 1 387.383 3.708 20 5 GHBDMN O=C(Nc1cc2cccnc2c2ncccc12)c1nc(Br)ccc1O ZINC001191743039 918191078 /nfs/dbraw/zinc/19/10/78/918191078.db2.gz ZSXXZTNDFXRNMM-UHFFFAOYSA-N 0 1 395.216 3.898 20 5 GHBDMN CCO[C@H]1C[C@@H](N(C)Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1(CC)CC ZINC001191821397 918245483 /nfs/dbraw/zinc/24/54/83/918245483.db2.gz MNMWQAJRUULVQA-MSOLQXFVSA-N 0 1 378.469 3.797 20 5 GHBDMN O=[N+]([O-])c1ccccc1-c1nnc(CN2CCCC[C@H]2[C@@H](O)c2ccccc2)o1 ZINC001192116017 918420787 /nfs/dbraw/zinc/42/07/87/918420787.db2.gz KSOHRRIBRZCMID-ICSRJNTNSA-N 0 1 394.431 3.733 20 5 GHBDMN Cc1ccc(NC(=O)NC[C@H]2CCCN(Cc3ccccc3[N+](=O)[O-])C2)cc1 ZINC000116699083 919514558 /nfs/dbraw/zinc/51/45/58/919514558.db2.gz KYEMLNSDCXERJY-QGZVFWFLSA-N 0 1 382.464 3.937 20 5 GHBDMN COc1cc([C@H](C)N[C@H](Cc2nccn2C)c2ccccc2)cc([N+](=O)[O-])c1 ZINC000903103555 922775958 /nfs/dbraw/zinc/77/59/58/922775958.db2.gz JVGCXIFIWLOWFD-MGPUTAFESA-N 0 1 380.448 3.972 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2ccc(CN[C@@H](c3nnc[nH]3)c3ccccc3)o2)cc1 ZINC000369019659 923060035 /nfs/dbraw/zinc/06/00/35/923060035.db2.gz ZFGJVGAWKQUCIE-LJQANCHMSA-N 0 1 375.388 3.852 20 5 GHBDMN COc1cccc(C2(F)CCN(C(=O)c3n[nH]c(C(C)C)c3[N+](=O)[O-])CC2)c1 ZINC000410231223 925438829 /nfs/dbraw/zinc/43/88/29/925438829.db2.gz WZPXPOCCYDQCEL-UHFFFAOYSA-N 0 1 390.415 3.551 20 5 GHBDMN CCOc1ccc([C@H](C)N[C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000011710905 925457878 /nfs/dbraw/zinc/45/78/78/925457878.db2.gz YOHOCFRLMIMKAL-UONOGXRCSA-N 0 1 387.436 3.680 20 5 GHBDMN C[C@H](NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1c(F)cccc1F ZINC000725825421 926459480 /nfs/dbraw/zinc/45/94/80/926459480.db2.gz BRLWKYZQFVFFRD-QMMMGPOBSA-N 0 1 376.768 3.566 20 5 GHBDMN Cc1ccc(CN2CCSCC2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000726503783 926713836 /nfs/dbraw/zinc/71/38/36/926713836.db2.gz CHEWBUKPJXYCIB-UHFFFAOYSA-N 0 1 389.452 3.843 20 5 GHBDMN C[C@@H](NC/C=C/c1ccccc1[N+](=O)[O-])C(=O)Nc1cccc(N2CCCC2)c1 ZINC000726606082 926760055 /nfs/dbraw/zinc/76/00/55/926760055.db2.gz SKYIXLLWBWLGSF-UGAXZCSASA-N 0 1 394.475 3.825 20 5 GHBDMN COCCCCN(Cc1ccccc1)Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000749946181 927363891 /nfs/dbraw/zinc/36/38/91/927363891.db2.gz QGCQBGNJGUULCD-UHFFFAOYSA-N 0 1 383.452 3.534 20 5 GHBDMN O=C(Nc1c[nH]nc1[C@@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1)C1CCCC1 ZINC000374798186 927534195 /nfs/dbraw/zinc/53/41/95/927534195.db2.gz JGSLMIALDVVVSX-QGZVFWFLSA-N 0 1 397.479 3.826 20 5 GHBDMN C/C(=C\C(=O)NC[C@H](c1ccc(C)o1)N1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000751874496 928442264 /nfs/dbraw/zinc/44/22/64/928442264.db2.gz JLRPMVHOIPXXMS-OCKXMSAZSA-N 0 1 383.448 3.853 20 5 GHBDMN O=[N+]([O-])c1ccc(NS(=O)(=O)Cc2ccc(F)cc2F)cc1C(F)(F)F ZINC000543858995 928506223 /nfs/dbraw/zinc/50/62/23/928506223.db2.gz XCNHLOUHZRDBFW-UHFFFAOYSA-N 0 1 396.293 3.834 20 5 GHBDMN C[C@H]1C[C@H](c2ccccc2)CN1CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000752794133 929025226 /nfs/dbraw/zinc/02/52/26/929025226.db2.gz VPFXDZBEWOSJLI-WMZOPIPTSA-N 0 1 380.448 3.672 20 5 GHBDMN CCCc1[nH]nc(C(=O)N2CC[C@H](c3cccc(C(F)(F)F)c3)C2)c1[N+](=O)[O-] ZINC000753202111 929250896 /nfs/dbraw/zinc/25/08/96/929250896.db2.gz DOCIPNGQLUOQAB-LBPRGKRZSA-N 0 1 396.369 3.919 20 5 GHBDMN CC[C@@H](C)Oc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)c1 ZINC000469252878 929737180 /nfs/dbraw/zinc/73/71/80/929737180.db2.gz VLDCCWVNGXGCFR-GFCCVEGCSA-N 0 1 380.422 3.582 20 5 GHBDMN CC[C@H](CC(F)(F)F)NS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000831105669 930937081 /nfs/dbraw/zinc/93/70/81/930937081.db2.gz QOXJUVYTBUNOIY-ZCFIWIBFSA-N 0 1 395.186 3.911 20 5 GHBDMN CC(C)(C)OC(=O)NC1(C)CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000783719561 931629670 /nfs/dbraw/zinc/62/96/70/931629670.db2.gz KFHGUIIYMHQJOM-VQHVLOKHSA-N 0 1 375.469 3.987 20 5 GHBDMN CCCCn1ncc(NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)c1C ZINC000783839363 931684931 /nfs/dbraw/zinc/68/49/31/931684931.db2.gz IQGZMGYWYVQBMO-UHFFFAOYSA-N 0 1 386.861 3.662 20 5 GHBDMN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(Cc3c(F)cccc3[N+](=O)[O-])C[C@H]21 ZINC000784509272 931917897 /nfs/dbraw/zinc/91/78/97/931917897.db2.gz MDQWOAPIZZAZRI-JJRVBVJISA-N 0 1 393.459 3.859 20 5 GHBDMN O=[N+]([O-])c1cccc(OCCN2CCC(Oc3cncc(Cl)c3)CC2)c1 ZINC000559640497 932772399 /nfs/dbraw/zinc/77/23/99/932772399.db2.gz RMBVZGYWRAHCRZ-UHFFFAOYSA-N 0 1 377.828 3.565 20 5 GHBDMN COc1ccc2cc(C(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)n[nH]3)ccc2c1 ZINC001115985838 933270589 /nfs/dbraw/zinc/27/05/89/933270589.db2.gz SUSBLKULZJSICT-UHFFFAOYSA-N 0 1 389.371 3.794 20 5 GHBDMN COC[C@@H]1CCN1Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000560568927 933352375 /nfs/dbraw/zinc/35/23/75/933352375.db2.gz OWGKJWBNZZEGSD-FQEVSTJZSA-N 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O=C(c1cccc(Nc2c(Cl)ccc([N+](=O)[O-])c2Cl)c1)N1CCNCC1 ZINC001159993683 1034818348 /nfs/dbraw/zinc/81/83/48/1034818348.db2.gz FTKIMMXFIGKTCK-UHFFFAOYSA-N 0 1 395.246 3.691 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)NC[C@H]2CCCc3ccccc32)c1 ZINC001208288067 1034847665 /nfs/dbraw/zinc/84/76/65/1034847665.db2.gz FJCHMYHZOSKJRT-GFCCVEGCSA-N 0 1 398.843 3.786 20 5 GHBDMN CC(C)(C)OC(=O)N[C@]12C[C@H]1CN(Cc1ccc3ccc4cccnc4c3n1)C2 ZINC001232219432 1035168565 /nfs/dbraw/zinc/16/85/65/1035168565.db2.gz UAXBEAVDQSYLEY-SBUREZEXSA-N 0 1 390.487 3.882 20 5 GHBDMN COc1ccc(C(=O)Nc2ccc3nc(-c4ccncc4)[nH]c3c2)cc1[N+](=O)[O-] ZINC001161775155 1035298352 /nfs/dbraw/zinc/29/83/52/1035298352.db2.gz RKGHKSVYFJFNAF-UHFFFAOYSA-N 0 1 389.371 3.794 20 5 GHBDMN O=[N+]([O-])c1ccc(OCc2nc(-c3ncccc3/C=C/N3CCCC3)no2)cc1 ZINC001248128169 1035550671 /nfs/dbraw/zinc/55/06/71/1035550671.db2.gz JSGOPKGFZOOMMP-UKTHLTGXSA-N 0 1 393.403 3.685 20 5 GHBDMN Cc1ccc(CN2CCCN(C(=O)N[C@H](C)c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC001248414989 1035834295 /nfs/dbraw/zinc/83/42/95/1035834295.db2.gz VLXFDLNMCRZRBF-GOSISDBHSA-N 0 1 396.491 3.882 20 5 GHBDMN O=[N+]([O-])c1ccc(Cc2nc(-c3ncccc3/C=C/N3CCCC3)no2)cc1 ZINC001247579500 1038258065 /nfs/dbraw/zinc/25/80/65/1038258065.db2.gz WKPYFLDVCYHAJF-UKTHLTGXSA-N 0 1 377.404 3.697 20 5 GHBDMN O=[N+]([O-])c1ccc(N2CCC(NC3(c4cccc(Cl)c4)COC3)CC2)cc1 ZINC001254467129 1040254141 /nfs/dbraw/zinc/25/41/41/1040254141.db2.gz ZJCBRSKMCQVDJQ-UHFFFAOYSA-N 0 1 387.867 3.732 20 5 GHBDMN Cc1c(=O)[nH]n(-c2ccccc2)c1NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254476385 1040262713 /nfs/dbraw/zinc/26/27/13/1040262713.db2.gz PRWYZMXHHFPJCI-UHFFFAOYSA-N 0 1 393.447 3.875 20 5 GHBDMN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCCn2cnc(COCC3CC3)c2C1 ZINC001254554161 1040322891 /nfs/dbraw/zinc/32/28/91/1040322891.db2.gz AAETWWAAPPENEO-INIZCTEOSA-N 0 1 384.480 3.555 20 5 GHBDMN O=C(c1ccc(Cl)cc1)N1CCCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254606896 1040378624 /nfs/dbraw/zinc/37/86/24/1040378624.db2.gz JFPJCMBBDQBYNE-HXUWFJFHSA-N 0 1 399.878 3.564 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)NCCCCc2ccccc2)c1 ZINC001462763898 1070530880 /nfs/dbraw/zinc/53/08/80/1070530880.db2.gz JESNCNGYICWEPH-UHFFFAOYSA-N 0 1 386.832 3.689 20 5 GHBDMN Cc1n[nH]c(C(F)F)c1NC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC001295100871 1044915990 /nfs/dbraw/zinc/91/59/90/1044915990.db2.gz YBSQIQLWWYZWLP-UHFFFAOYSA-N 0 1 389.156 3.508 20 5 GHBDMN CC[C@H]1CN(C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC001296188337 1045276122 /nfs/dbraw/zinc/27/61/22/1045276122.db2.gz HFBCRWYKCQGGDU-XLIONFOSSA-N 0 1 381.476 3.821 20 5 GHBDMN C[C@H](c1nc2ccc(Cl)cc2[nH]1)N(C)C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC001298246578 1045750878 /nfs/dbraw/zinc/75/08/78/1045750878.db2.gz KCNBHIWNNFXUGF-MRVPVSSYSA-N 0 1 391.790 3.679 20 5 GHBDMN CC(C)[C@@H]1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 ZINC001279363234 1047780415 /nfs/dbraw/zinc/78/04/15/1047780415.db2.gz AGFSCRFXFUOGSP-FLSMSTFGSA-N 0 1 393.487 3.977 20 5 GHBDMN CC(C)[C@H]1CN(Cc2ccccc2)CCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC001280057377 1048067221 /nfs/dbraw/zinc/06/72/21/1048067221.db2.gz NADMWGORYNVJBF-OAQYLSRUSA-N 0 1 381.476 3.506 20 5 GHBDMN CCOC(=O)c1cc([N+](=O)[O-])c(NC[C@H](c2ccsc2)N(C)C)cc1C ZINC001306926247 1048962970 /nfs/dbraw/zinc/96/29/70/1048962970.db2.gz OSGKSTXNFARSJE-QGZVFWFLSA-N 0 1 377.466 3.856 20 5 GHBDMN COc1ccc(-c2n[nH]c(SCc3ccc(F)cc3[N+](=O)[O-])n2)c(OC)c1 ZINC001307297219 1049188004 /nfs/dbraw/zinc/18/80/04/1049188004.db2.gz RSRQJWZRQQUIRV-UHFFFAOYSA-N 0 1 390.396 3.829 20 5 GHBDMN CN1CCN(c2ccc([N+](=O)[O-])c(NC(=O)c3cc4ccccc4s3)c2)CC1 ZINC001289293108 1049406814 /nfs/dbraw/zinc/40/68/14/1049406814.db2.gz XWIMKQSIOWPHBO-UHFFFAOYSA-N 0 1 396.472 3.814 20 5 GHBDMN Cc1cc(F)cc(C(=O)NC[C@H]2CCCCN2Cc2ccccc2)c1[N+](=O)[O-] ZINC000753095820 1049454519 /nfs/dbraw/zinc/45/45/19/1049454519.db2.gz WHBDJIARPGPBRV-GOSISDBHSA-N 0 1 385.439 3.827 20 5 GHBDMN Cc1cc(F)cc(C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)c1[N+](=O)[O-] ZINC000753095822 1049454782 /nfs/dbraw/zinc/45/47/82/1049454782.db2.gz WHBDJIARPGPBRV-SFHVURJKSA-N 0 1 385.439 3.827 20 5 GHBDMN O=[N+]([O-])c1cccc([C@@H](NCc2cc(O)ccc2[N+](=O)[O-])C(F)(F)F)c1F ZINC001307840685 1049626030 /nfs/dbraw/zinc/62/60/30/1049626030.db2.gz CPBGVYLWQRKKHX-CQSZACIVSA-N 0 1 389.261 3.741 20 5 GHBDMN Cc1cc(NC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)ccc1N1CCN(C)CC1 ZINC001317877052 1054287234 /nfs/dbraw/zinc/28/72/34/1054287234.db2.gz FIHRRLOVWUFFSB-MRXNPFEDSA-N 0 1 397.479 3.538 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(CN2CCSC[C@@H]2CCO)o1 ZINC001319729306 1055428948 /nfs/dbraw/zinc/42/89/48/1055428948.db2.gz NWRFOTRRGIVIFC-ZDUSSCGKSA-N 0 1 382.869 3.808 20 5 GHBDMN COC(=O)N1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC001319815025 1055486280 /nfs/dbraw/zinc/48/62/80/1055486280.db2.gz NIOZFDDHNVQPBZ-UHFFFAOYSA-N 0 1 375.450 3.597 20 5 GHBDMN O=[N+]([O-])c1cccc([C@H](O)CN2CC(Cc3ccccc3C(F)(F)F)C2)c1 ZINC001323859144 1057024456 /nfs/dbraw/zinc/02/44/56/1057024456.db2.gz HIQCYCIFOYMWGZ-GOSISDBHSA-N 0 1 380.366 3.822 20 5 GHBDMN CCN(CC)[C@@H](CNC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)c1ccco1 ZINC001442494414 1058969610 /nfs/dbraw/zinc/96/96/10/1058969610.db2.gz VBPXGKWYOSLJRN-INIZCTEOSA-N 0 1 379.844 3.583 20 5 GHBDMN O=C(c1c(F)cccc1[N+](=O)[O-])N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC001446981584 1059912744 /nfs/dbraw/zinc/91/27/44/1059912744.db2.gz LTDOBAGCMKLGMQ-AWEZNQCLSA-N 0 1 395.394 3.539 20 5 GHBDMN O=C(NCCc1ccccc1OCc1ccccc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC001454552101 1061837157 /nfs/dbraw/zinc/83/71/57/1061837157.db2.gz WMUVXHBHKUGGPI-UHFFFAOYSA-N 0 1 392.411 3.852 20 5 GHBDMN Cc1noc(-c2ccccc2)c1NC(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC001458667988 1063915826 /nfs/dbraw/zinc/91/58/26/1063915826.db2.gz SHECNNCISFIFSO-UHFFFAOYSA-N 0 1 395.371 3.972 20 5 GHBDMN O=[N+]([O-])c1cnc(N2CCN[C@@H](c3ccc(Cl)cc3)C2)c(Br)c1 ZINC001458722326 1063926558 /nfs/dbraw/zinc/92/65/58/1063926558.db2.gz ZLRJFUMAQIODQU-CQSZACIVSA-N 0 1 397.660 3.557 20 5 GHBDMN COc1ccc(CC(=O)Nc2nc3cc(Cl)cc(Cl)c3[nH]2)cc1[N+](=O)[O-] ZINC001438120817 1063987885 /nfs/dbraw/zinc/98/78/85/1063987885.db2.gz FEEORPCXQFZWJN-UHFFFAOYSA-N 0 1 395.202 3.968 20 5 GHBDMN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1CCSC[C@@H]1c1ccccc1 ZINC001465177003 1065440767 /nfs/dbraw/zinc/44/07/67/1065440767.db2.gz VDVBUDXRVLRXPL-LJQANCHMSA-N 0 1 394.456 3.915 20 5 GHBDMN Cc1ccc(Sc2ccc(C(=O)N[C@H]3CN4CCC3CC4)cc2[N+](=O)[O-])cc1 ZINC001353753219 1066221785 /nfs/dbraw/zinc/22/17/85/1066221785.db2.gz CAHJVVHRYYRGDV-SFHVURJKSA-N 0 1 397.500 3.878 20 5 GHBDMN O=C(NCc1n[nH]c(C2CC2)n1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC001468387237 1067713287 /nfs/dbraw/zinc/71/32/87/1067713287.db2.gz WFJXUNKGHFBSSY-UHFFFAOYSA-N 0 1 395.444 3.672 20 5 GHBDMN CC(C)[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)CCN1Cc1ccccc1 ZINC001470139848 1068592038 /nfs/dbraw/zinc/59/20/38/1068592038.db2.gz BALRMLVTEUHWJX-FQEVSTJZSA-N 0 1 385.439 3.717 20 5 GHBDMN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1nc2ccc(Br)cc2[nH]1 ZINC001360978570 1068724540 /nfs/dbraw/zinc/72/45/40/1068724540.db2.gz XPWPCWZXXYZQID-UHFFFAOYSA-N 0 1 393.172 3.933 20 5 GHBDMN O=C(CN1CCCC[C@@H](C2CCOCC2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC001460689337 1069088147 /nfs/dbraw/zinc/08/81/47/1069088147.db2.gz HWEVAGFSDQNEQX-OAHLLOKOSA-N 0 1 395.887 3.715 20 5 GHBDMN C[C@H]1CN(Cc2ccccc2)C[C@@]2(CCN(Cc3cc(F)ccc3[N+](=O)[O-])C2)O1 ZINC001460690225 1069088345 /nfs/dbraw/zinc/08/83/45/1069088345.db2.gz GHPGVBDFHZNWHK-JTSKRJEESA-N 0 1 399.466 3.599 20 5 GHBDMN C[C@H](NC[C@H](O)COc1cc(Cl)cc(Cl)c1)c1ccccc1[N+](=O)[O-] ZINC001460723683 1069125451 /nfs/dbraw/zinc/12/54/51/1069125451.db2.gz GOFAVKWJINHIPG-FZMZJTMJSA-N 0 1 385.247 3.992 20 5 GHBDMN Cc1cccc(CN2CC[C@@H](NC(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC001470711434 1072697678 /nfs/dbraw/zinc/69/76/78/1072697678.db2.gz NBNJPBVOXDNXFO-FUHWJXTLSA-N 0 1 399.516 3.775 20 5 GHBDMN Cc1ccc(CN2CC[C@H](NC(=O)c3cc(Cl)c(F)c([N+](=O)[O-])c3)C2)cc1 ZINC001471316392 1073015314 /nfs/dbraw/zinc/01/53/14/1073015314.db2.gz RSSDDBKEVQJDST-HNNXBMFYSA-N 0 1 391.830 3.700 20 5 GHBDMN Cc1ccc(C(=O)N2CCc3nc[nH]c3[C@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC001471645001 1073168208 /nfs/dbraw/zinc/16/82/08/1073168208.db2.gz GHFDWQGHWVNMAV-LJQANCHMSA-N 0 1 380.379 3.553 20 5 GHBDMN CCc1ccc([C@H]2CCCN(CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C2)cc1 ZINC001473450800 1073969164 /nfs/dbraw/zinc/96/91/64/1073969164.db2.gz WYHXTJKSQJWANA-FQEVSTJZSA-N 0 1 393.487 3.926 20 5 GHBDMN CC(C)(C)C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(F)(F)F ZINC001475146532 1074757003 /nfs/dbraw/zinc/75/70/03/1074757003.db2.gz WWWRMFLADNDPDU-LLVKDONJSA-N 0 1 388.795 3.894 20 5 GHBDMN CCOc1cc(CN[C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)ccc1[N+](=O)[O-] ZINC001659943282 1126263974 /nfs/dbraw/zinc/26/39/74/1126263974.db2.gz GSUZQIXUWIGKBH-QAPCUYQASA-N 0 1 398.381 3.618 20 5 GHBDMN C[C@@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc(-c2nn[nH]n2)c1 ZINC000820425681 599394016 /nfs/dbraw/zinc/39/40/16/599394016.db2.gz AKOBGSNKDWMXBT-CYBMUJFWSA-N 0 1 390.403 3.886 20 5 GHBDMN O=[N+]([O-])c1ccccc1CS(=O)(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000180816589 837572730 /nfs/dbraw/zinc/57/27/30/837572730.db2.gz JAGYLYDXWIRBIZ-UHFFFAOYSA-N 0 1 386.433 3.681 20 5 GHBDMN C[C@@H]1CN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)Cc2ccccc2O1 ZINC000430165770 834725442 /nfs/dbraw/zinc/72/54/42/834725442.db2.gz NNQSTTQQFAWGOM-OAHLLOKOSA-N 0 1 378.432 3.778 20 5 GHBDMN Cc1ccc(Br)cc1NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000120189717 834779312 /nfs/dbraw/zinc/77/93/12/834779312.db2.gz CDMXKOILIXRESQ-UHFFFAOYSA-N 0 1 377.241 3.528 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2noc(CN3CCC[C@H]3Cc3cccc(F)c3)n2)cc1 ZINC000053076564 834890682 /nfs/dbraw/zinc/89/06/82/834890682.db2.gz XOEBWFXJBJUVGV-SFHVURJKSA-N 0 1 382.395 3.991 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(OC(C)(C)C)cc1 ZINC000610194410 835002619 /nfs/dbraw/zinc/00/26/19/835002619.db2.gz CQXLDVMWQBYSOZ-UHFFFAOYSA-N 0 1 380.422 3.582 20 5 GHBDMN Cc1ccc(CNC(=O)C2CCN([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000175323301 835157805 /nfs/dbraw/zinc/15/78/05/835157805.db2.gz WKVXCZXDXIEGNE-KRWDZBQOSA-N 0 1 381.476 3.993 20 5 GHBDMN COc1ccc(-c2ccc(CN[C@@H]3c4ccccc4C[C@@H]3O)o2)c([N+](=O)[O-])c1 ZINC000102424349 835371019 /nfs/dbraw/zinc/37/10/19/835371019.db2.gz FWRRYXPJSYPDBO-PZJWPPBQSA-N 0 1 380.400 3.611 20 5 GHBDMN O=C([O-])c1cc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000583996885 835375791 /nfs/dbraw/zinc/37/57/91/835375791.db2.gz HUNFAXFYNWPFLY-AYHJJNSGSA-N 0 1 381.432 3.901 20 5 GHBDMN O=[N+]([O-])c1cc(CN[C@H](c2nnc[nH]2)c2ccc(F)cc2)cc(C(F)(F)F)c1 ZINC000584008522 835402531 /nfs/dbraw/zinc/40/25/31/835402531.db2.gz VGEVPQPXYUHUCA-HNNXBMFYSA-N 0 1 395.316 3.750 20 5 GHBDMN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1cnn(-c2ccncc2)c1 ZINC000612040178 835424660 /nfs/dbraw/zinc/42/46/60/835424660.db2.gz ZLGYSAAIPSLUIH-UHFFFAOYSA-N 0 1 389.824 3.560 20 5 GHBDMN C[C@@H](N[C@H](C)c1cccc(OC(F)F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000179578826 835883589 /nfs/dbraw/zinc/88/35/89/835883589.db2.gz QXYRBPFUMQGVCC-VXGBXAGGSA-N 0 1 379.363 3.874 20 5 GHBDMN COc1cc(C(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)cc([N+](=O)[O-])c1C ZINC000188489660 835957910 /nfs/dbraw/zinc/95/79/10/835957910.db2.gz ICAKIDHCCKYMRV-MRXNPFEDSA-N 0 1 397.475 3.648 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000547752276 836029716 /nfs/dbraw/zinc/02/97/16/836029716.db2.gz PFDWMDGDHPEEQI-INIZCTEOSA-N 0 1 392.843 3.681 20 5 GHBDMN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)CSc1n[nH]c(=S)s1 ZINC000176104640 844134010 /nfs/dbraw/zinc/13/40/10/844134010.db2.gz CINDMSRYHVQPHT-UHFFFAOYSA-N 0 1 384.508 3.638 20 5 GHBDMN Cc1[nH]ncc1C1CCN(C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])CC1 ZINC000375911858 836191360 /nfs/dbraw/zinc/19/13/60/836191360.db2.gz JUPLUAFLBAFZTP-UHFFFAOYSA-N 0 1 391.431 3.708 20 5 GHBDMN C[N@H+]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)C1 ZINC000612538649 836378284 /nfs/dbraw/zinc/37/82/84/836378284.db2.gz RCHXJVDJJIXYGY-HNNXBMFYSA-N 0 1 377.510 3.701 20 5 GHBDMN CN1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)C1 ZINC000612538649 836378294 /nfs/dbraw/zinc/37/82/94/836378294.db2.gz RCHXJVDJJIXYGY-HNNXBMFYSA-N 0 1 377.510 3.701 20 5 GHBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@H](C(=O)N(C)c2ccccc2)C1 ZINC000430306704 836410867 /nfs/dbraw/zinc/41/08/67/836410867.db2.gz YWLRZSWVKMMOJC-KRWDZBQOSA-N 0 1 397.475 3.867 20 5 GHBDMN COc1ccc(CN2CCCN(C(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)cc1 ZINC000043347471 836654745 /nfs/dbraw/zinc/65/47/45/836654745.db2.gz SKJQKEQIUGDACT-UHFFFAOYSA-N 0 1 398.463 3.652 20 5 GHBDMN Cc1ccc([C@@H](C)NC(=O)NC[C@H](c2ccco2)N2CCCC2)cc1[N+](=O)[O-] ZINC000175553408 836679274 /nfs/dbraw/zinc/67/92/74/836679274.db2.gz LEBMGDIYELUMEB-CRAIPNDOSA-N 0 1 386.452 3.694 20 5 GHBDMN CC1(C)Cc2ccc(Cl)c(NS(=O)(=O)c3ccc([N+](=O)[O-])s3)c2O1 ZINC000430373699 836853899 /nfs/dbraw/zinc/85/38/99/836853899.db2.gz VPQXMXJOULPFFO-UHFFFAOYSA-N 0 1 388.854 3.824 20 5 GHBDMN Cc1cc(F)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000161583705 836877628 /nfs/dbraw/zinc/87/76/28/836877628.db2.gz QLXJLDXBSYZFKK-UHFFFAOYSA-N 0 1 378.303 3.862 20 5 GHBDMN C[C@H](NS(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccccc1Oc1ccccc1 ZINC000610262449 836918749 /nfs/dbraw/zinc/91/87/49/836918749.db2.gz FBZRSPOXTVATAX-AWEZNQCLSA-N 0 1 399.428 3.822 20 5 GHBDMN COc1ccccc1[C@H]1CC[C@H](C)CN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000510255847 837065986 /nfs/dbraw/zinc/06/59/86/837065986.db2.gz SGVFWJIWSGAQNT-KBXCAEBGSA-N 0 1 383.448 3.676 20 5 GHBDMN C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N(C)Cc1nc2ccccc2s1 ZINC000180409462 837228387 /nfs/dbraw/zinc/22/83/87/837228387.db2.gz JGNPEUKMWZMDIG-UONOGXRCSA-N 0 1 398.488 3.902 20 5 GHBDMN CC[C@H](C)N(CCc1ccc([N+](=O)[O-])cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000118849785 838262004 /nfs/dbraw/zinc/26/20/04/838262004.db2.gz UAXFCPIWZDCDJG-HNNXBMFYSA-N 0 1 380.448 3.675 20 5 GHBDMN CCC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2OC)CCN1Cc1ccccc1 ZINC001266608741 839484592 /nfs/dbraw/zinc/48/45/92/839484592.db2.gz OGUYXCQUSZNLFF-LJQANCHMSA-N 0 1 397.475 3.730 20 5 GHBDMN CN(c1ccccc1)c1ccc(CN2CCC(n3cncn3)CC2)cc1[N+](=O)[O-] ZINC000122514670 839674772 /nfs/dbraw/zinc/67/47/72/839674772.db2.gz YWDFZHWHRRXTAH-UHFFFAOYSA-N 0 1 392.463 3.791 20 5 GHBDMN C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000610445854 839736844 /nfs/dbraw/zinc/73/68/44/839736844.db2.gz ISMBAYJOYPHXKT-QGZVFWFLSA-N 0 1 399.516 3.810 20 5 GHBDMN CCc1ccc(C(=O)NC[C@@H](c2cccc(OC)c2)N2CCCC2)cc1[N+](=O)[O-] ZINC000471607661 839981311 /nfs/dbraw/zinc/98/13/11/839981311.db2.gz WTDUGAXYZUJJMV-NRFANRHFSA-N 0 1 397.475 3.733 20 5 GHBDMN O=C(CN1CC[C@@H](Cc2ccc(F)cc2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001167434577 840186923 /nfs/dbraw/zinc/18/69/23/840186923.db2.gz WINSKDSGPXSIKU-AWEZNQCLSA-N 0 1 391.830 3.890 20 5 GHBDMN Cc1nc([C@@H]2CCCCN2c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)n[nH]1 ZINC000509528468 840192902 /nfs/dbraw/zinc/19/29/02/840192902.db2.gz QNDSLOSHSNYJQT-INIZCTEOSA-N 0 1 394.435 3.727 20 5 GHBDMN CCOc1ccc([C@@H](C)NCC(=O)Nc2ccccc2[N+](=O)[O-])cc1OCC ZINC000120296462 840238100 /nfs/dbraw/zinc/23/81/00/840238100.db2.gz APQAIPRFOZSEME-CQSZACIVSA-N 0 1 387.436 3.682 20 5 GHBDMN CC[C@H](CS(=O)(=O)c1ccccc1)N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000181662761 840643204 /nfs/dbraw/zinc/64/32/04/840643204.db2.gz GOWZPPOPBNGGEJ-VQIMIIECSA-N 0 1 376.478 3.888 20 5 GHBDMN CS(=O)(=O)c1ccc(NCC2(N3CCCCC3)CCCCC2)c([N+](=O)[O-])c1 ZINC000015168922 844592143 /nfs/dbraw/zinc/59/21/43/844592143.db2.gz JBFNJRRHRSOVRU-UHFFFAOYSA-N 0 1 395.525 3.599 20 5 GHBDMN O=[N+]([O-])c1cc(CN2CCC[C@H]2Cc2cc(F)ccc2F)c2c(c1)COCO2 ZINC000418089057 841493049 /nfs/dbraw/zinc/49/30/49/841493049.db2.gz BGGXCMUHDINVKJ-KRWDZBQOSA-N 0 1 390.386 3.947 20 5 GHBDMN CCCOc1ccc([C@H](C)NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)cc1OC ZINC000053581203 841828812 /nfs/dbraw/zinc/82/88/12/841828812.db2.gz MGBKCUVCTAYDFG-LBPRGKRZSA-N 0 1 398.419 3.760 20 5 GHBDMN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@H]2c2cccc(Cl)c2)c1 ZINC000603840640 861244023 /nfs/dbraw/zinc/24/40/23/861244023.db2.gz PGKDOSOPXLWCMQ-HKUYNNGSSA-N 0 1 376.840 3.825 20 5 GHBDMN CN(CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133756 841857795 /nfs/dbraw/zinc/85/77/95/841857795.db2.gz BCCWQFCPAOTNOR-DYESRHJHSA-N 0 1 383.448 3.633 20 5 GHBDMN Cc1nc(-c2ccccc2)[nH]c1C(=O)O[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000759945219 841990670 /nfs/dbraw/zinc/99/06/70/841990670.db2.gz TWGOWICVBQJJAW-HZPDHXFCSA-N 0 1 395.419 3.831 20 5 GHBDMN Cc1cc(Br)cc(C)c1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000055619582 861268368 /nfs/dbraw/zinc/26/83/68/861268368.db2.gz SCWROTOWLGTCLO-UHFFFAOYSA-N 0 1 385.239 3.775 20 5 GHBDMN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000031565836 842102247 /nfs/dbraw/zinc/10/22/47/842102247.db2.gz BFRZERIAQAAZOB-SJLPKXTDSA-N 0 1 399.516 3.856 20 5 GHBDMN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000031565836 842102250 /nfs/dbraw/zinc/10/22/50/842102250.db2.gz BFRZERIAQAAZOB-SJLPKXTDSA-N 0 1 399.516 3.856 20 5 GHBDMN C[C@@H]1Cc2ccc(Br)cc2CN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000477627056 842305120 /nfs/dbraw/zinc/30/51/20/842305120.db2.gz JBFRONAMXJUJQQ-SNVBAGLBSA-N 0 1 391.221 3.650 20 5 GHBDMN CC[C@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1OC(F)F ZINC000178206754 842479826 /nfs/dbraw/zinc/47/98/26/842479826.db2.gz BYPAUZIESRFSIA-ZDUSSCGKSA-N 0 1 379.363 3.876 20 5 GHBDMN C[C@@H](NC(=O)c1ccc(CN2CCSCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000512162558 842697924 /nfs/dbraw/zinc/69/79/24/842697924.db2.gz BSHJHQXVFVZDGN-OAHLLOKOSA-N 0 1 385.489 3.635 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2ccc(CN3CCCOCC3)o2)c(Br)c1 ZINC000510500842 842802051 /nfs/dbraw/zinc/80/20/51/842802051.db2.gz GKEAAORAFOMCBC-UHFFFAOYSA-N 0 1 381.226 3.840 20 5 GHBDMN O=[N+]([O-])c1cc(CN[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)c2c(c1)COCO2 ZINC000182115452 842891831 /nfs/dbraw/zinc/89/18/31/842891831.db2.gz RCXGEONDCGMVHW-PKOBYXMFSA-N 0 1 390.823 3.735 20 5 GHBDMN COc1cc(Cl)ccc1CNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000107718586 842926032 /nfs/dbraw/zinc/92/60/32/842926032.db2.gz DLWKHKHCLZKLAK-UHFFFAOYSA-N 0 1 386.839 3.947 20 5 GHBDMN CCO[C@@H]1C[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H]1n1cccn1 ZINC000555648670 861490768 /nfs/dbraw/zinc/49/07/68/861490768.db2.gz SIQVHAPMKFJSJN-SXLOBPIMSA-N 0 1 382.420 3.560 20 5 GHBDMN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc(Cl)c1-n1cccn1 ZINC000603980421 861499049 /nfs/dbraw/zinc/49/90/49/861499049.db2.gz YJZSJPWRAUQJLN-UHFFFAOYSA-N 0 1 392.824 3.543 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N(C)C[C@@H]2CCCO[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000610921149 844851297 /nfs/dbraw/zinc/85/12/97/844851297.db2.gz NOOBBVGAZVOTJG-HNAYVOBHSA-N 0 1 386.452 3.681 20 5 GHBDMN COC[C@H](C)N(CC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@H]1CCc2ccccc21 ZINC000599683283 861521624 /nfs/dbraw/zinc/52/16/24/861521624.db2.gz QLDXEELFASYQQH-LPHOPBHVSA-N 0 1 397.475 3.866 20 5 GHBDMN CCN(Cc1cccc(Br)c1)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000433681443 845189715 /nfs/dbraw/zinc/18/97/15/845189715.db2.gz DFTLERQZOQQPNJ-UHFFFAOYSA-N 0 1 395.257 3.866 20 5 GHBDMN CC(C)(COc1ncccc1Br)NCc1csc([N+](=O)[O-])c1 ZINC000120479723 845218310 /nfs/dbraw/zinc/21/83/10/845218310.db2.gz YUNSVXFOAUWCMJ-UHFFFAOYSA-N 0 1 386.271 3.761 20 5 GHBDMN Cc1cc([C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])c2ccccc2Cl)ccc1F ZINC000119631583 845690156 /nfs/dbraw/zinc/69/01/56/845690156.db2.gz SENHTYPIGZRAGJ-INIZCTEOSA-N 0 1 388.786 3.938 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@H]2Cc2ccccc2Cl)c1[N+](=O)[O-] ZINC000433993386 845705741 /nfs/dbraw/zinc/70/57/41/845705741.db2.gz MYOGUHITWDQAIU-ZDUSSCGKSA-N 0 1 376.844 3.942 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1CN[C@@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000502515269 846167585 /nfs/dbraw/zinc/16/75/85/846167585.db2.gz WNPHCDLWWOTMPZ-LJQANCHMSA-N 0 1 376.840 3.748 20 5 GHBDMN CC[C@@H]1C[C@]1(NCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1cccc(C)c1 ZINC000502532799 846192720 /nfs/dbraw/zinc/19/27/20/846192720.db2.gz WVRHLYIECBCGAV-QVKFZJNVSA-N 0 1 383.448 3.765 20 5 GHBDMN Cc1c2ccccc2oc1[C@H](C)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000183582755 846321315 /nfs/dbraw/zinc/32/13/15/846321315.db2.gz KEOOAYVRAGNXDI-AWEZNQCLSA-N 0 1 388.445 3.774 20 5 GHBDMN O=C(c1cnc(-c2ccccc2)[nH]1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000551455026 846375760 /nfs/dbraw/zinc/37/57/60/846375760.db2.gz CJUGUKGZNYCEPG-LJQANCHMSA-N 0 1 380.429 3.873 20 5 GHBDMN C[C@]1(Cc2ccc(F)cc2)CCCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000421621254 846415375 /nfs/dbraw/zinc/41/53/75/846415375.db2.gz UFFYTQQGYPDMLN-HXUWFJFHSA-N 0 1 382.395 3.848 20 5 GHBDMN Cc1ccc2nc([C@@H]3CCCN3CC(=O)Nc3ccccc3[N+](=O)[O-])[nH]c2c1 ZINC000582208250 846632921 /nfs/dbraw/zinc/63/29/21/846632921.db2.gz NJUFTSCACBPDFH-SFHVURJKSA-N 0 1 379.420 3.555 20 5 GHBDMN CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000137056774 846801260 /nfs/dbraw/zinc/80/12/60/846801260.db2.gz YUAFFVWHEACKON-KRWDZBQOSA-N 0 1 391.468 3.879 20 5 GHBDMN CCc1[nH]n(Cc2ccccc2C)c(=O)c1CCNc1ncc([N+](=O)[O-])cc1F ZINC000413307214 847141229 /nfs/dbraw/zinc/14/12/29/847141229.db2.gz AAVFTYRTAZWVMO-INIZCTEOSA-N 0 1 399.426 3.664 20 5 GHBDMN Cc1cc(N2CCc3c(nnn3-c3ccccc3)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000431418032 847318332 /nfs/dbraw/zinc/31/83/32/847318332.db2.gz COQVFZDMVARHQO-UHFFFAOYSA-N 0 1 386.415 3.595 20 5 GHBDMN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@](C)(c1ccccc1)C(F)(F)F ZINC000479150634 847523208 /nfs/dbraw/zinc/52/32/08/847523208.db2.gz AFOBVVYIDQLLGI-OAHLLOKOSA-N 0 1 388.367 3.659 20 5 GHBDMN C[C@H]1C[C@@]1(NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccc(Cl)cc1 ZINC000503379460 847654907 /nfs/dbraw/zinc/65/49/07/847654907.db2.gz RAUTXFWUAGUWRJ-RBZFPXEDSA-N 0 1 385.851 3.662 20 5 GHBDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000277857736 848249199 /nfs/dbraw/zinc/24/91/99/848249199.db2.gz NWSOEQPTHNPKEW-TUAOUCFPSA-N 0 1 377.470 3.584 20 5 GHBDMN C[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccc(C(F)(F)F)cc1 ZINC000481631564 861888816 /nfs/dbraw/zinc/88/88/16/861888816.db2.gz WYKOPFKSGRPTQF-SECBINFHSA-N 0 1 378.310 3.981 20 5 GHBDMN CCOCCN(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])[C@H]1CCc2ccccc21 ZINC000600450662 862020151 /nfs/dbraw/zinc/02/01/51/862020151.db2.gz YGBNZCFAKBUUNB-INIZCTEOSA-N 0 1 386.452 3.608 20 5 GHBDMN COc1ccc(NC(=O)[C@H](C)N[C@H](C)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000027537254 850314228 /nfs/dbraw/zinc/31/42/28/850314228.db2.gz OEIKOQBGMLFQBP-NEPJUHHUSA-N 0 1 377.828 3.935 20 5 GHBDMN CC[C@H](CSc1ccccc1[N+](=O)[O-])NCc1nncn1-c1ccccc1 ZINC000504893041 850422768 /nfs/dbraw/zinc/42/27/68/850422768.db2.gz AZTXUNGWXKDVBV-OAHLLOKOSA-N 0 1 383.477 3.836 20 5 GHBDMN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000439885376 850546781 /nfs/dbraw/zinc/54/67/81/850546781.db2.gz BAQCEKBCTVQEEO-KRWDZBQOSA-N 0 1 390.415 3.557 20 5 GHBDMN Cc1cc(CNCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)ccc1-n1cncn1 ZINC000487196146 850553376 /nfs/dbraw/zinc/55/33/76/850553376.db2.gz YOLHTENZFGIKIC-UHFFFAOYSA-N 0 1 391.353 3.793 20 5 GHBDMN Cc1cc(NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000519161947 850687417 /nfs/dbraw/zinc/68/74/17/850687417.db2.gz UMXLHJAATVTGCZ-CQSZACIVSA-N 0 1 389.477 3.987 20 5 GHBDMN CN(C)[C@@H](CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1ccccc1 ZINC000435815323 850874295 /nfs/dbraw/zinc/87/42/95/850874295.db2.gz CGFPMAOJKHGBTG-QFIPXVFZSA-N 0 1 385.467 3.714 20 5 GHBDMN C[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccc(Br)cc1 ZINC000028063464 851017036 /nfs/dbraw/zinc/01/70/36/851017036.db2.gz PAAHHRFULGMLEZ-SECBINFHSA-N 0 1 389.209 3.725 20 5 GHBDMN O=C(N[C@H](c1ccccc1)c1ccc2[nH]cnc2c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000505737695 851070154 /nfs/dbraw/zinc/07/01/54/851070154.db2.gz ZAFSULZAGCEAFD-HXUWFJFHSA-N 0 1 388.383 3.696 20 5 GHBDMN O=C(N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000505737695 851070163 /nfs/dbraw/zinc/07/01/63/851070163.db2.gz ZAFSULZAGCEAFD-HXUWFJFHSA-N 0 1 388.383 3.696 20 5 GHBDMN CCOc1ccc(NC(=O)CN[C@@H](c2ncccc2C)C(C)C)c([N+](=O)[O-])c1 ZINC000120776550 851136278 /nfs/dbraw/zinc/13/62/78/851136278.db2.gz LRHPWSFJFOXVQL-LJQANCHMSA-N 0 1 386.452 3.622 20 5 GHBDMN O=C(NCc1ccc(COCc2ccccc2)cc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000505775250 851337790 /nfs/dbraw/zinc/33/77/90/851337790.db2.gz ANVJBWZSRUWNPK-UHFFFAOYSA-N 0 1 392.411 3.947 20 5 GHBDMN COc1ccc(NC(=O)CN2CCC[C@H]2Cc2ccccc2C)c([N+](=O)[O-])c1 ZINC000514184900 851337922 /nfs/dbraw/zinc/33/79/22/851337922.db2.gz AAFPSHWBVNBVFD-KRWDZBQOSA-N 0 1 383.448 3.557 20 5 GHBDMN COC(=O)[C@H]1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@H]1C(C)C ZINC000430117634 851602567 /nfs/dbraw/zinc/60/25/67/851602567.db2.gz FTXVAXHBTINUPF-IRXDYDNUSA-N 0 1 389.477 3.738 20 5 GHBDMN O=[N+]([O-])c1ccc(NCCc2cc(-c3ccncc3)[nH]n2)cc1OC(F)F ZINC000436425169 851614610 /nfs/dbraw/zinc/61/46/10/851614610.db2.gz NKFASBUCZZTWCA-UHFFFAOYSA-N 0 1 375.335 3.636 20 5 GHBDMN Cc1cc([N+](=O)[O-])c(C)cc1NS(=O)(=O)c1ccc(C(=O)C(C)C)cc1 ZINC000473771258 851916560 /nfs/dbraw/zinc/91/65/60/851916560.db2.gz CLIKKVSXFDREBB-UHFFFAOYSA-N 0 1 376.434 3.851 20 5 GHBDMN O=[N+]([O-])c1ccn(C2CCN(CCOc3cc(Cl)ccc3Cl)CC2)n1 ZINC000489012273 851921862 /nfs/dbraw/zinc/92/18/62/851921862.db2.gz LGLINDWVMDOXGH-UHFFFAOYSA-N 0 1 385.251 3.814 20 5 GHBDMN Cc1ccc(-c2n[nH]c(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)cc1 ZINC000028789952 852071977 /nfs/dbraw/zinc/07/19/77/852071977.db2.gz OASMSEPESZLIHX-UHFFFAOYSA-N 0 1 392.419 3.541 20 5 GHBDMN COc1ccc(CC(=O)O[C@@H](C)c2nc3ccc(Cl)cc3[nH]2)cc1[N+](=O)[O-] ZINC000732521126 862332203 /nfs/dbraw/zinc/33/22/03/862332203.db2.gz LXFCYYAPZZEHGN-JTQLQIEISA-N 0 1 389.795 3.980 20 5 GHBDMN COc1cc(CN2CCC[C@H](c3ccncc3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000516602633 852766226 /nfs/dbraw/zinc/76/62/26/852766226.db2.gz RHVSVZQIELJKSK-AWEZNQCLSA-N 0 1 393.390 3.979 20 5 GHBDMN CCN(C(=O)c1cccc([N+](=O)[O-])c1[O-])[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000163412779 862403872 /nfs/dbraw/zinc/40/38/72/862403872.db2.gz FFJJQSFJQOPHEG-RDJZCZTQSA-N 0 1 383.448 3.598 20 5 GHBDMN Cc1ccccc1N1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000506114941 853452976 /nfs/dbraw/zinc/45/29/76/853452976.db2.gz VQYNFRAASSSQHP-UHFFFAOYSA-N 0 1 391.475 3.626 20 5 GHBDMN CCCCOc1cccc(CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000518661772 853622920 /nfs/dbraw/zinc/62/29/20/853622920.db2.gz VVYILRPYXFNXNP-UHFFFAOYSA-N 0 1 398.868 3.906 20 5 GHBDMN CCc1cc(CNC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)n[nH]1 ZINC000732789824 862496004 /nfs/dbraw/zinc/49/60/04/862496004.db2.gz CUPONEBMHCECJY-UHFFFAOYSA-N 0 1 382.445 3.962 20 5 GHBDMN Cc1ccc(C)c(OC2CCN(C(=O)c3[nH]nc4ccc([N+](=O)[O-])cc43)CC2)c1 ZINC000055709585 854060978 /nfs/dbraw/zinc/06/09/78/854060978.db2.gz ZKHCISSFAISTHG-UHFFFAOYSA-N 0 1 394.431 3.772 20 5 GHBDMN NC(=O)Cc1ccc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1 ZINC000589320698 854808121 /nfs/dbraw/zinc/80/81/21/854808121.db2.gz FFSIYGKTTMOPGB-UHFFFAOYSA-N 0 1 399.834 3.826 20 5 GHBDMN O=C(CN1CC[C@@H]2CCC[C@@H]21)Nc1cc(N2CC[C@H]3CCC[C@H]32)ccc1[N+](=O)[O-] ZINC000591029755 855726048 /nfs/dbraw/zinc/72/60/48/855726048.db2.gz KLTBOYYQXYVOGJ-ACZWYYKOSA-N 0 1 398.507 3.787 20 5 GHBDMN O=[N+]([O-])c1ccc(NCc2n[nH]c(COc3ccccc3)n2)c(C(F)(F)F)c1 ZINC000184776468 855829020 /nfs/dbraw/zinc/82/90/20/855829020.db2.gz ITKBQLFGAWWHEP-UHFFFAOYSA-N 0 1 393.325 3.923 20 5 GHBDMN O=C(CCNCc1cc(F)ccc1Br)Nc1ccccc1[N+](=O)[O-] ZINC000554527574 855922610 /nfs/dbraw/zinc/92/26/10/855922610.db2.gz XHHWKLFYDRQPOZ-UHFFFAOYSA-N 0 1 396.216 3.615 20 5 GHBDMN O=C(COc1ccccc1[N+](=O)[O-])Nc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000153779421 856080363 /nfs/dbraw/zinc/08/03/63/856080363.db2.gz UIQOQYVTUSQHKW-UHFFFAOYSA-N 0 1 380.282 3.507 20 5 GHBDMN CCc1nc([C@H](C)NC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)n[nH]1 ZINC000536490916 856242801 /nfs/dbraw/zinc/24/28/01/856242801.db2.gz GKNPOFKLJFDAQK-LBPRGKRZSA-N 0 1 396.407 3.950 20 5 GHBDMN Cc1cc(S(=O)(=O)Nc2ccccc2NCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000172183272 856364433 /nfs/dbraw/zinc/36/44/33/856364433.db2.gz HLUNBEXWEQIISW-UHFFFAOYSA-N 0 1 389.355 3.678 20 5 GHBDMN CN(C)[C@@H](CNC(=O)c1ccccc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000184835486 856453595 /nfs/dbraw/zinc/45/35/95/856453595.db2.gz QLRGUTGTHLMARJ-INIZCTEOSA-N 0 1 381.354 3.646 20 5 GHBDMN CN(C)[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC000184835409 856454228 /nfs/dbraw/zinc/45/42/28/856454228.db2.gz QTBMBFWAZRNOHQ-MRXNPFEDSA-N 0 1 381.354 3.646 20 5 GHBDMN Cc1ccc(NC(=O)C2CCN(C/C=C/c3ccccc3[N+](=O)[O-])CC2)nc1 ZINC000091687112 856546030 /nfs/dbraw/zinc/54/60/30/856546030.db2.gz UOAGYLFIWWSCJN-GQCTYLIASA-N 0 1 380.448 3.662 20 5 GHBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(C(=O)NCCc2cccs2)CC1 ZINC000438684597 856624670 /nfs/dbraw/zinc/62/46/70/856624670.db2.gz WKZKQNJAVCUBDD-OAHLLOKOSA-N 0 1 387.505 3.788 20 5 GHBDMN COc1cccc(C(=O)N(C(C)C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000592695008 857028182 /nfs/dbraw/zinc/02/81/82/857028182.db2.gz RVHSBXOQXXDUEX-GOSISDBHSA-N 0 1 397.475 3.729 20 5 GHBDMN Cc1nc(C(C)C)sc1[C@@H](C)N(C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000245653435 857057681 /nfs/dbraw/zinc/05/76/81/857057681.db2.gz KPFHCPJUYIVZIH-GDBMZVCRSA-N 0 1 393.509 3.916 20 5 GHBDMN CN(C)[C@H](CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000173660111 857063486 /nfs/dbraw/zinc/06/34/86/857063486.db2.gz CGYBYAOJSBCQCN-MRXNPFEDSA-N 0 1 399.344 3.785 20 5 GHBDMN Cc1c(NC(=O)CC[N@H+]2CCO[C@@H](C3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000544546361 857205350 /nfs/dbraw/zinc/20/53/50/857205350.db2.gz FNCPYVPFQFGENJ-LJQANCHMSA-N 0 1 375.469 3.513 20 5 GHBDMN Cc1c(NC(=O)CCN2CCO[C@@H](C3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000544546361 857205355 /nfs/dbraw/zinc/20/53/55/857205355.db2.gz FNCPYVPFQFGENJ-LJQANCHMSA-N 0 1 375.469 3.513 20 5 GHBDMN CC(C)NC(=O)c1ccc(N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000059386683 862884923 /nfs/dbraw/zinc/88/49/23/862884923.db2.gz SDUCTWZUAIBMGT-IBGZPJMESA-N 0 1 396.491 3.810 20 5 GHBDMN C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000032342528 862900634 /nfs/dbraw/zinc/90/06/34/862900634.db2.gz YGMGELXJZASLGB-JTQLQIEISA-N 0 1 381.417 3.914 20 5 GHBDMN O=C(CCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)NCc1ccccc1 ZINC000113331499 857433758 /nfs/dbraw/zinc/43/37/58/857433758.db2.gz PUPTXBJTZZFNDE-UHFFFAOYSA-N 0 1 396.472 3.514 20 5 GHBDMN CCOC(=O)CC[C@@H]1CCC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000121005975 857632201 /nfs/dbraw/zinc/63/22/01/857632201.db2.gz YCNDFONXEZGRLN-HNNXBMFYSA-N 0 1 387.436 3.805 20 5 GHBDMN CCOC(=O)CC[C@@H]1CCCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000121005975 857632204 /nfs/dbraw/zinc/63/22/04/857632204.db2.gz YCNDFONXEZGRLN-HNNXBMFYSA-N 0 1 387.436 3.805 20 5 GHBDMN COc1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc(OC)c1C(C)C 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ISJOBEKGCUWYPW-UHFFFAOYSA-N 0 1 398.415 3.909 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H]1C[C@@H](OC(C)(C)C)[C@H]1n1cccn1 ZINC000595043848 858377603 /nfs/dbraw/zinc/37/76/03/858377603.db2.gz ATVBLSGMZJTBGH-QVSURHGTSA-N 0 1 388.468 3.648 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H]1C[C@H](OC(C)(C)C)[C@@H]1n1cccn1 ZINC000595043846 858377667 /nfs/dbraw/zinc/37/76/67/858377667.db2.gz ATVBLSGMZJTBGH-KRDRHDLTSA-N 0 1 388.468 3.648 20 5 GHBDMN Cc1ccc2nc([C@@H]3CCCN3C(=O)NCCc3ccccc3[N+](=O)[O-])[nH]c2c1 ZINC000466145958 858472636 /nfs/dbraw/zinc/47/26/36/858472636.db2.gz NSCHXJISZGSKFO-IBGZPJMESA-N 0 1 393.447 3.869 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(C)C[C@H]1CCc2ccccc21 ZINC000595877887 858724642 /nfs/dbraw/zinc/72/46/42/858724642.db2.gz LFYALFJTDCOFIB-GDBMZVCRSA-N 0 1 383.448 3.592 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(C)C[C@@H]1CCc2ccccc21 ZINC000595878190 858725003 /nfs/dbraw/zinc/72/50/03/858725003.db2.gz LFYALFJTDCOFIB-ZBFHGGJFSA-N 0 1 383.448 3.592 20 5 GHBDMN CCc1c(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cnn1-c1ccc(Cl)cc1 ZINC000482730638 858797477 /nfs/dbraw/zinc/79/74/77/858797477.db2.gz CWKZACDNNUWWMZ-UHFFFAOYSA-N 0 1 386.795 3.954 20 5 GHBDMN Cc1ccc(-c2n[nH]c(NC(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)n2)o1 ZINC000160389149 858872974 /nfs/dbraw/zinc/87/29/74/858872974.db2.gz UYQORHNDWBUQOJ-UHFFFAOYSA-N 0 1 396.388 3.657 20 5 GHBDMN COc1ccc(C[C@H](C)N[C@@H](c2ccccc2)c2cccnn2)c([N+](=O)[O-])c1 ZINC001170326299 881362689 /nfs/dbraw/zinc/36/26/89/881362689.db2.gz GQXVOEUXSQXPSS-BTYIYWSLSA-N 0 1 378.432 3.704 20 5 GHBDMN COc1cc(CNc2ccc(Cl)c(CN(C)C)c2)c([N+](=O)[O-])cc1OC ZINC000466414643 859393021 /nfs/dbraw/zinc/39/30/21/859393021.db2.gz BAGLOCQHNZRAIK-UHFFFAOYSA-N 0 1 379.844 3.939 20 5 GHBDMN O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1NCc1n[nH]cc1Br ZINC000611081088 859602874 /nfs/dbraw/zinc/60/28/74/859602874.db2.gz LTOOUNLTIXVUDV-RISCZKNCSA-N 0 1 379.258 3.581 20 5 GHBDMN CNC(=O)[C@H](CC(C)C)NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000611120254 859617913 /nfs/dbraw/zinc/61/79/13/859617913.db2.gz NHBNHDSDFGPRQH-INIZCTEOSA-N 0 1 379.844 3.759 20 5 GHBDMN CN(C)c1cccc([C@@H]2CCCN2C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)c1 ZINC000117826211 859632585 /nfs/dbraw/zinc/63/25/85/859632585.db2.gz NQPTZPCUKMWUOY-SFHVURJKSA-N 0 1 379.420 3.514 20 5 GHBDMN COC(=O)C[C@@H](NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CCCCC1 ZINC000543462720 859782452 /nfs/dbraw/zinc/78/24/52/859782452.db2.gz BIGBTFSAEWCNMB-GOSISDBHSA-N 0 1 387.436 3.851 20 5 GHBDMN O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000611488344 859783145 /nfs/dbraw/zinc/78/31/45/859783145.db2.gz MIHOXOZALATELT-ZDUSSCGKSA-N 0 1 389.481 3.842 20 5 GHBDMN CNC(=O)[C@H]1CCCN1Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000092098652 859989855 /nfs/dbraw/zinc/98/98/55/859989855.db2.gz KETKJNWSRCRRDM-MRXNPFEDSA-N 0 1 389.839 3.751 20 5 GHBDMN CCN(CC)C(=O)C1CCN(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602452224 860027042 /nfs/dbraw/zinc/02/70/42/860027042.db2.gz SMGVBKNWZPJTMC-UHFFFAOYSA-N 0 1 387.402 3.694 20 5 GHBDMN CC[C@@H](NCc1cccc(C(=O)NC[C@H]2CCCO2)c1)c1cccc([N+](=O)[O-])c1 ZINC000154248689 860032616 /nfs/dbraw/zinc/03/26/16/860032616.db2.gz QRBRAINWHYFPAE-NHCUHLMSSA-N 0 1 397.475 3.745 20 5 GHBDMN Cn1cc(CNCc2nccc3c2CCCC3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000922466722 860034754 /nfs/dbraw/zinc/03/47/54/860034754.db2.gz LIKVIJZNSBBJKB-UHFFFAOYSA-N 0 1 377.448 3.559 20 5 GHBDMN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CN1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000602464705 860044349 /nfs/dbraw/zinc/04/43/49/860044349.db2.gz MTUBGLJBTYFIMS-ZDUSSCGKSA-N 0 1 395.385 3.531 20 5 GHBDMN Cc1ccc(C(=O)NC2CCN(C/C=C/c3ccccc3[N+](=O)[O-])CC2)s1 ZINC000092673702 860101200 /nfs/dbraw/zinc/10/12/00/860101200.db2.gz RXKMXVSWXYDGKX-GQCTYLIASA-N 0 1 385.489 3.872 20 5 GHBDMN O=C(Nc1cc(F)cc(Cl)c1O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000474440729 860102336 /nfs/dbraw/zinc/10/23/36/860102336.db2.gz ZRCMRZCINRNEME-UHFFFAOYSA-N 0 1 393.802 3.948 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000123839282 860107784 /nfs/dbraw/zinc/10/77/84/860107784.db2.gz KMHSKRIYAPXPOH-UHFFFAOYSA-N 0 1 376.312 3.603 20 5 GHBDMN COc1ccc(C[C@@H]2CCCN([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000555150805 860128504 /nfs/dbraw/zinc/12/85/04/860128504.db2.gz HGUILKVOLZZKMT-WMZOPIPTSA-N 0 1 397.475 3.885 20 5 GHBDMN CCCc1[nH]nc(C(=O)N2CC[C@@H](c3cc(C)c(Cl)cc3O)C2)c1[N+](=O)[O-] ZINC000598334689 860241787 /nfs/dbraw/zinc/24/17/87/860241787.db2.gz YCEYCEDHKYOQRT-LLVKDONJSA-N 0 1 392.843 3.568 20 5 GHBDMN Cc1ccc(CN2CCC(C(=O)NCc3ccc(F)cc3)CC2)cc1[N+](=O)[O-] ZINC000154732359 860247431 /nfs/dbraw/zinc/24/74/31/860247431.db2.gz QODLYBASAZDBQA-UHFFFAOYSA-N 0 1 385.439 3.571 20 5 GHBDMN O=[N+]([O-])c1ccc2oc(CN3CC[C@@H](c4ccc5cccnc5n4)C3)nc2c1 ZINC000602884071 860336077 /nfs/dbraw/zinc/33/60/77/860336077.db2.gz BICQRVNUVMKZJO-CQSZACIVSA-N 0 1 375.388 3.669 20 5 GHBDMN COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1c(C)c(C)cc(C)c1C ZINC000093930957 860377904 /nfs/dbraw/zinc/37/79/04/860377904.db2.gz AEQLBTSLSPKYRQ-UHFFFAOYSA-N 0 1 378.450 3.776 20 5 GHBDMN C[C@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 ZINC000195233827 881531937 /nfs/dbraw/zinc/53/19/37/881531937.db2.gz LRTJLVMLDHTPJP-LBPRGKRZSA-N 0 1 392.253 3.671 20 5 GHBDMN O=C(C[C@]12CCCC[C@H]1C2(F)F)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000598682061 860499790 /nfs/dbraw/zinc/49/97/90/860499790.db2.gz TWSIXFRBOJCDFK-MLGOLLRUSA-N 0 1 377.351 3.534 20 5 GHBDMN CSc1cccc(F)c1CN[C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000552325172 860509793 /nfs/dbraw/zinc/50/97/93/860509793.db2.gz QMCSAJMOUKGTES-LBPRGKRZSA-N 0 1 377.441 3.963 20 5 GHBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](c2nnc3ccccn32)C1 ZINC000155815216 860613236 /nfs/dbraw/zinc/61/32/36/860613236.db2.gz YOWIYCHEGNSWLD-INIZCTEOSA-N 0 1 395.463 3.804 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2nc(CNC[C@H]3CCC4(CCOCC4)O3)cs2)c1 ZINC000922808185 860632139 /nfs/dbraw/zinc/63/21/39/860632139.db2.gz HYMAFTPKKWTDQE-QGZVFWFLSA-N 0 1 389.477 3.536 20 5 GHBDMN C[C@H](N[C@@H](C)[C@@H]1COc2ccccc21)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000185594240 860778358 /nfs/dbraw/zinc/77/83/58/860778358.db2.gz VPCBJAPGZJGVLQ-DCGLDWPTSA-N 0 1 380.404 3.860 20 5 GHBDMN O=C(NC[C@@H](c1cccs1)N1CCCC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000603730678 861098424 /nfs/dbraw/zinc/09/84/24/861098424.db2.gz MEWDZMKEXSZPIB-HNNXBMFYSA-N 0 1 385.445 3.969 20 5 GHBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCCC[C@H]2CC(=O)[O-])cc1OC ZINC000593744580 861135946 /nfs/dbraw/zinc/13/59/46/861135946.db2.gz GQGFWFOMZWNCSX-HOCLYGCPSA-N 0 1 394.468 3.858 20 5 GHBDMN Cc1ccc(C(=O)C2CC[NH+](Cc3cc(C(=O)[O-])ccc3[N+](=O)[O-])CC2)cc1 ZINC000593740371 861151337 /nfs/dbraw/zinc/15/13/37/861151337.db2.gz LJYXLUYJSHJHIN-UHFFFAOYSA-N 0 1 382.416 3.696 20 5 GHBDMN COc1ccccc1[C@@H](O)CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000172114972 863236761 /nfs/dbraw/zinc/23/67/61/863236761.db2.gz BURAVSVUYJBXNU-KRWDZBQOSA-N 0 1 385.445 3.550 20 5 GHBDMN CC(C)(C(=O)Nc1nc(-c2ccccc2Cl)n[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000532277726 881663314 /nfs/dbraw/zinc/66/33/14/881663314.db2.gz MUMXMWRWAGHVSH-UHFFFAOYSA-N 0 1 385.811 3.950 20 5 GHBDMN O=C(Nc1ccccc1-c1nnc[nH]1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444234692 863716555 /nfs/dbraw/zinc/71/65/55/863716555.db2.gz DGQSYDJXYBPSGE-UHFFFAOYSA-N 0 1 381.395 3.719 20 5 GHBDMN Cc1ccc([C@H](CN2CCOCC2)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000480458779 864690971 /nfs/dbraw/zinc/69/09/71/864690971.db2.gz FQSWZCVNGWTUGQ-NQIIRXRSSA-N 0 1 383.492 3.936 20 5 GHBDMN CC[C@H](C)c1nc([C@H](C)NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000487472174 865272189 /nfs/dbraw/zinc/27/21/89/865272189.db2.gz VZZAWUAHJRKJFO-KBPBESRZSA-N 0 1 388.472 3.610 20 5 GHBDMN COc1cccc([C@H]2[C@H](NC(=O)c3c(C)cccc3[N+](=O)[O-])CCN2C2CC2)c1 ZINC000248732208 865591726 /nfs/dbraw/zinc/59/17/26/865591726.db2.gz LBXBWNKTHVGRQV-NQIIRXRSSA-N 0 1 395.459 3.620 20 5 GHBDMN Cc1ccc([C@H](CNC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)N2CCCC2)o1 ZINC000185164418 865637499 /nfs/dbraw/zinc/63/74/99/865637499.db2.gz DBMRKDNODOUYNW-KDOFPFPSSA-N 0 1 389.427 3.692 20 5 GHBDMN CN1CC[C@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000534018924 865985019 /nfs/dbraw/zinc/98/50/19/865985019.db2.gz MISHWORJUGJKEJ-DOTOQJQBSA-N 0 1 393.365 3.789 20 5 GHBDMN COC[C@H](CO)NCc1ccc(Oc2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])c1 ZINC000475509986 866123884 /nfs/dbraw/zinc/12/38/84/866123884.db2.gz QLQIMCBCRGNVTN-KRWDZBQOSA-N 0 1 388.464 3.782 20 5 GHBDMN COc1cc(S(=O)(=O)Nc2cc(C)c(C)c3ncccc23)ccc1[N+](=O)[O-] ZINC000121382537 866210651 /nfs/dbraw/zinc/21/06/51/866210651.db2.gz WLXZYEOGNYAFEX-UHFFFAOYSA-N 0 1 387.417 3.569 20 5 GHBDMN O=C(Nc1ccn(-c2ccncc2)n1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000071038564 866328735 /nfs/dbraw/zinc/32/87/35/866328735.db2.gz IBIOPZUJGFLQLG-UHFFFAOYSA-N 0 1 392.400 3.551 20 5 GHBDMN O=[N+]([O-])c1cn(CN2CC[C@H](c3ccc(Cl)cc3)C2)nc1-c1ccncc1 ZINC000742147907 867081158 /nfs/dbraw/zinc/08/11/58/867081158.db2.gz PLQOVQFKLSWXTB-INIZCTEOSA-N 0 1 383.839 3.954 20 5 GHBDMN C[C@@H]1CN(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)CC[C@@H]1c1ccccc1 ZINC000742165955 867088739 /nfs/dbraw/zinc/08/87/39/867088739.db2.gz MVAWWHRKGFAXFY-UZLBHIALSA-N 0 1 377.448 3.936 20 5 GHBDMN C[C@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(Br)s1 ZINC000444759170 867155481 /nfs/dbraw/zinc/15/54/81/867155481.db2.gz FNWYFSIFWKKLRJ-VIFPVBQESA-N 0 1 384.255 3.708 20 5 GHBDMN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1cccc(Br)c1O ZINC000523564125 867567545 /nfs/dbraw/zinc/56/75/45/867567545.db2.gz IMCYRKZLSSBHFM-UHFFFAOYSA-N 0 1 393.237 3.816 20 5 GHBDMN CN(C)[C@@H](CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c21)c1ccc(Cl)cc1 ZINC000534981960 867895717 /nfs/dbraw/zinc/89/57/17/867895717.db2.gz DOZUDRPZGCCVGZ-KRWDZBQOSA-N 0 1 386.839 3.762 20 5 GHBDMN CCCN(C(=O)c1cc([N+](=O)[O-])cnc1C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000195366650 882170701 /nfs/dbraw/zinc/17/07/01/882170701.db2.gz XKCMCDKCHVXIFI-IBGZPJMESA-N 0 1 396.491 3.815 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C(=O)Nc2nc(Sc3ccccc3)ns2)c1 ZINC000524132340 868612021 /nfs/dbraw/zinc/61/20/21/868612021.db2.gz MVUFANWJFJQFMX-UHFFFAOYSA-N 0 1 388.430 3.858 20 5 GHBDMN CN1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[C@H]1c1ccccc1 ZINC000535467464 868808423 /nfs/dbraw/zinc/80/84/23/868808423.db2.gz DPCAHUNOUWHPBE-IAGOWNOFSA-N 0 1 393.365 3.789 20 5 GHBDMN CSc1n[nH]c(NC(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)n1 ZINC000524301891 868871697 /nfs/dbraw/zinc/87/16/97/868871697.db2.gz FQAHKMLUCOLGSE-UHFFFAOYSA-N 0 1 381.483 3.825 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@@H]1CCc2ccccc21 ZINC000462457235 869489095 /nfs/dbraw/zinc/48/90/95/869489095.db2.gz UWDCGMKAPVNNIE-CYBMUJFWSA-N 0 1 387.244 3.867 20 5 GHBDMN C[C@H](CCc1ccco1)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462479514 869539057 /nfs/dbraw/zinc/53/90/57/869539057.db2.gz HMCLZDDNJQQTDB-SECBINFHSA-N 0 1 393.248 3.794 20 5 GHBDMN CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000447065249 870948113 /nfs/dbraw/zinc/94/81/13/870948113.db2.gz AJNRIYVJYZZHNV-UHFFFAOYSA-N 0 1 376.482 4.000 20 5 GHBDMN CN(Cc1cc(C(C)(C)C)[nH]n1)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000447070543 870985294 /nfs/dbraw/zinc/98/52/94/870985294.db2.gz STZKKZNZQRAQOA-UHFFFAOYSA-N 0 1 382.468 3.648 20 5 GHBDMN O=C(Nc1nnc(C(F)(F)F)s1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463175250 871041151 /nfs/dbraw/zinc/04/11/51/871041151.db2.gz HOAQYWDVHFBVJK-UHFFFAOYSA-N 0 1 386.233 3.736 20 5 GHBDMN C[C@H](NC(=O)c1ccc(CN2CCSCC2)cc1)c1ccccc1[N+](=O)[O-] ZINC000540449145 871291547 /nfs/dbraw/zinc/29/15/47/871291547.db2.gz MSQPBORMSTWKMT-HNNXBMFYSA-N 0 1 385.489 3.635 20 5 GHBDMN COc1cc(CNc2nnc(Cc3ccc(Cl)cc3)o2)cc([N+](=O)[O-])c1O ZINC000181720688 871409693 /nfs/dbraw/zinc/40/96/93/871409693.db2.gz IMPYYXMBXQLWEI-UHFFFAOYSA-N 0 1 390.783 3.548 20 5 GHBDMN CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@H]1C ZINC001169542494 871621321 /nfs/dbraw/zinc/62/13/21/871621321.db2.gz XDRQJDKJAKCZJK-DNVCBOLYSA-N 0 1 399.516 3.957 20 5 GHBDMN COc1ccc(NC(=O)CCN[C@@H](C)c2cccc(F)c2F)c([N+](=O)[O-])c1 ZINC000181968530 871693717 /nfs/dbraw/zinc/69/37/17/871693717.db2.gz QDJAYJSPQRGJBS-NSHDSACASA-N 0 1 379.363 3.561 20 5 GHBDMN O=C(NCc1ccccc1)[C@@H](Cc1ccccc1)NCc1ccc([N+](=O)[O-])cc1 ZINC000540613975 871722744 /nfs/dbraw/zinc/72/27/44/871722744.db2.gz UPXXLAFUEBXOAO-JOCHJYFZSA-N 0 1 389.455 3.612 20 5 GHBDMN C[C@H]1CN(c2cccc3cnccc32)CCN1CCOc1cccc([N+](=O)[O-])c1 ZINC001169864706 871969379 /nfs/dbraw/zinc/96/93/79/871969379.db2.gz RBHRTFXFGMNGQZ-KRWDZBQOSA-N 0 1 392.459 3.733 20 5 GHBDMN O=[N+]([O-])c1cc(F)ccc1CN1CCC(c2cc(-c3ccncc3)n[nH]2)CC1 ZINC001195567399 872505711 /nfs/dbraw/zinc/50/57/11/872505711.db2.gz LWCSIMKHIVXYIX-UHFFFAOYSA-N 0 1 381.411 3.899 20 5 GHBDMN CCc1ccc([C@@H](CN2CCOCC2)NCc2cccc([N+](=O)[O-])c2C)cc1 ZINC000478479052 873054786 /nfs/dbraw/zinc/05/47/86/873054786.db2.gz JLNGUCJBNULEMV-OAQYLSRUSA-N 0 1 383.492 3.629 20 5 GHBDMN Cc1ccc(CN2CCN(Cc3cccc4cccnc43)CC2)cc1[N+](=O)[O-] ZINC000768234969 873182775 /nfs/dbraw/zinc/18/27/75/873182775.db2.gz UEXQDSMJIXHXEW-UHFFFAOYSA-N 0 1 376.460 3.769 20 5 GHBDMN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(N3CCCCCC3)cc2)cs1 ZINC000768856646 873596027 /nfs/dbraw/zinc/59/60/27/873596027.db2.gz CJXMRHPDVLSHEQ-UHFFFAOYSA-N 0 1 381.479 3.838 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)ccc1CN[C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC001197285427 873713172 /nfs/dbraw/zinc/71/31/72/873713172.db2.gz QDGFPENEWUIJKQ-GDBMZVCRSA-N 0 1 388.773 3.872 20 5 GHBDMN CSc1ccc([C@H](C)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1F ZINC000541738595 874197673 /nfs/dbraw/zinc/19/76/73/874197673.db2.gz OFYQPBHQBDGXCW-LBPRGKRZSA-N 0 1 398.481 3.580 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(OC2CCCC2)cc1 ZINC000769673521 874227056 /nfs/dbraw/zinc/22/70/56/874227056.db2.gz ZIBSVZCMFUMISW-UHFFFAOYSA-N 0 1 392.433 3.726 20 5 GHBDMN COc1ccc(NC(=O)[C@@H](C)N2CCC[C@H](C3CCCC3)C2)c([N+](=O)[O-])c1 ZINC001198706563 874598187 /nfs/dbraw/zinc/59/81/87/874598187.db2.gz QGJNALROBQCUSQ-ZBFHGGJFSA-N 0 1 375.469 3.833 20 5 GHBDMN CCOc1ccc([N+](=O)[O-])cc1CN1CCC=C(c2cn(C(C)C)nn2)CC1 ZINC000449470436 874902056 /nfs/dbraw/zinc/90/20/56/874902056.db2.gz KFIRXEAOSOQFFL-UHFFFAOYSA-N 0 1 385.468 3.845 20 5 GHBDMN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@H]1c1ccc(Cl)cc1 ZINC000542209277 875185774 /nfs/dbraw/zinc/18/57/74/875185774.db2.gz AHDCRVFLGYRECW-SJORKVTESA-N 0 1 376.840 3.825 20 5 GHBDMN Cc1cn(C2CCCCC2)nc1NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000542234948 875194323 /nfs/dbraw/zinc/19/43/23/875194323.db2.gz WXTDPMCAIUGSPB-UHFFFAOYSA-N 0 1 392.481 3.589 20 5 GHBDMN Cc1ccc2nc(CNC(=O)[C@@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])[nH]c2c1 ZINC000465196632 875304755 /nfs/dbraw/zinc/30/47/55/875304755.db2.gz WOFJCTBNSLJSSL-LLVKDONJSA-N 0 1 388.811 3.517 20 5 GHBDMN O=C(Nc1cc(F)cc(Cl)c1O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000771511540 875305944 /nfs/dbraw/zinc/30/59/44/875305944.db2.gz MNXRYFCRUSPVND-UHFFFAOYSA-N 0 1 379.775 3.945 20 5 GHBDMN Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)OCCOc1ccc([N+](=O)[O-])cc1 ZINC000772102237 875661498 /nfs/dbraw/zinc/66/14/98/875661498.db2.gz PCVSJFFUGMHDMH-UHFFFAOYSA-N 0 1 381.388 3.838 20 5 GHBDMN CCc1[nH]n(Cc2ccccc2C)c(=O)c1CCNc1ccc([N+](=O)[O-])nc1 ZINC000450718548 876816794 /nfs/dbraw/zinc/81/67/94/876816794.db2.gz OFALCMHHFOIBAU-KRWDZBQOSA-N 0 1 381.436 3.525 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCc1ccc(N2CCCCC2=O)cc1 ZINC000850427479 876910329 /nfs/dbraw/zinc/91/03/29/876910329.db2.gz UXAZCCFLIRJYDB-HNNXBMFYSA-N 0 1 383.448 3.971 20 5 GHBDMN Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000787118161 877159442 /nfs/dbraw/zinc/15/94/42/877159442.db2.gz TVYNOAWPDRHITJ-MRXNPFEDSA-N 0 1 385.811 3.684 20 5 GHBDMN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN1Cc1ccccc1 ZINC000610046434 877328742 /nfs/dbraw/zinc/32/87/42/877328742.db2.gz KACLQQRGWQEKHZ-NRFANRHFSA-N 0 1 381.476 3.698 20 5 GHBDMN O=C(Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000067990268 877737215 /nfs/dbraw/zinc/73/72/15/877737215.db2.gz GJHCBQSSKXHZTQ-INIZCTEOSA-N 0 1 388.330 3.853 20 5 GHBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000851709320 877873286 /nfs/dbraw/zinc/87/32/86/877873286.db2.gz WVERSYXWGQDFHF-OAHLLOKOSA-N 0 1 385.376 3.581 20 5 GHBDMN CC(C)(C)OC(=O)[C@H]1CN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)Cc2ccccc21 ZINC000852319162 878235165 /nfs/dbraw/zinc/23/51/65/878235165.db2.gz ZFPSMTYNDRWCAU-PMACEKPBSA-N 0 1 398.459 3.569 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC2(CCC2)[C@H]1c1ccco1 ZINC000451839477 878554421 /nfs/dbraw/zinc/55/44/21/878554421.db2.gz CNVUGQQNRKGBDY-LJQANCHMSA-N 0 1 385.420 3.752 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@H](C)c1ccc2c(c1)CCCO2 ZINC000852779694 878593805 /nfs/dbraw/zinc/59/38/05/878593805.db2.gz BVUQCOKCEAETHE-KGLIPLIRSA-N 0 1 399.447 3.606 20 5 GHBDMN CCC[C@H](NCCS(=O)(=O)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000537962366 878596783 /nfs/dbraw/zinc/59/67/83/878596783.db2.gz WLRZRBRXRBQRTA-SFHVURJKSA-N 0 1 380.441 3.639 20 5 GHBDMN COc1cc(CN2CCC(COc3ccc(Cl)nc3)CC2)ccc1[N+](=O)[O-] ZINC000789313414 878832545 /nfs/dbraw/zinc/83/25/45/878832545.db2.gz BQQVXRGPHVVINN-UHFFFAOYSA-N 0 1 391.855 3.943 20 5 GHBDMN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000452171061 879038075 /nfs/dbraw/zinc/03/80/75/879038075.db2.gz JRSDZEHBIBRYHL-HNNXBMFYSA-N 0 1 391.537 3.899 20 5 GHBDMN O=C1[C@H](NCc2ccc([N+](=O)[O-])c(Cl)c2)CCN1c1ccc(Cl)cc1 ZINC000761528103 879234195 /nfs/dbraw/zinc/23/41/95/879234195.db2.gz ZFTQWRBAAPJCGY-OAHLLOKOSA-N 0 1 380.231 3.797 20 5 GHBDMN CN(C)[C@H]1CCOc2c(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cccc21 ZINC000791039736 880166746 /nfs/dbraw/zinc/16/67/46/880166746.db2.gz XBMQDLAMNXLEJY-INIZCTEOSA-N 0 1 375.812 3.886 20 5 GHBDMN O=C(Nc1cc(F)ccc1NC1CC1)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001170249225 881298032 /nfs/dbraw/zinc/29/80/32/881298032.db2.gz QFLVYVUMEKSAIU-UHFFFAOYSA-N 0 1 381.367 3.951 20 5 GHBDMN COC(=O)COc1ccc(CNC(C)(C)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000551230063 883538037 /nfs/dbraw/zinc/53/80/37/883538037.db2.gz IVBAVFZXOFILMC-UHFFFAOYSA-N 0 1 392.839 3.825 20 5 GHBDMN COc1cc(Cl)c(S(=O)(=O)Nc2cc(F)cc([N+](=O)[O-])c2)cc1Cl ZINC000475793142 883864109 /nfs/dbraw/zinc/86/41/09/883864109.db2.gz GBATWDKVTTYQFY-UHFFFAOYSA-N 0 1 395.195 3.850 20 5 GHBDMN CCN(C(=O)c1n[nH]c(C)c1[N+](=O)[O-])[C@H](c1ccc(Cl)cc1)c1ccccn1 ZINC000498329620 884064304 /nfs/dbraw/zinc/06/43/04/884064304.db2.gz KJFDPOINBGHLKC-GOSISDBHSA-N 0 1 399.838 3.926 20 5 GHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N(Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000476236301 884274710 /nfs/dbraw/zinc/27/47/10/884274710.db2.gz MOOOVSAXXARJGM-UHFFFAOYSA-N 0 1 382.416 3.820 20 5 GHBDMN O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)c[nH]1)c1ccc(CN2CCCCC2)o1 ZINC001183878885 912869057 /nfs/dbraw/zinc/86/90/57/912869057.db2.gz PCABFOOZIWDZJY-UHFFFAOYSA-N 0 1 395.419 3.816 20 5 GHBDMN C[C@@H]1CCN(C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000498719878 885474996 /nfs/dbraw/zinc/47/49/96/885474996.db2.gz GHJGEANLUVAGFR-OAHLLOKOSA-N 0 1 385.489 3.912 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)NCc2ccc(C(F)F)cc2)c1 ZINC000795928595 913005792 /nfs/dbraw/zinc/00/57/92/913005792.db2.gz UJLZLQKBRKDOSM-UHFFFAOYSA-N 0 1 394.758 3.803 20 5 GHBDMN Cc1c(F)c(NS(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1Br ZINC000193469203 886283954 /nfs/dbraw/zinc/28/39/54/886283954.db2.gz CCFFNYSQDJKRLY-UHFFFAOYSA-N 0 1 389.202 3.606 20 5 GHBDMN CC(C)(C)OC(=O)Nc1nc(CNCCc2ccc([N+](=O)[O-])cc2)cs1 ZINC001184217889 913077916 /nfs/dbraw/zinc/07/79/16/913077916.db2.gz JWIPGKSUUXGASD-UHFFFAOYSA-N 0 1 378.454 3.731 20 5 GHBDMN COc1ccc(Cl)cc1NC(=O)[C@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000194059749 887996031 /nfs/dbraw/zinc/99/60/31/887996031.db2.gz OSDDDLIFJWMROS-RYUDHWBXSA-N 0 1 377.828 3.935 20 5 GHBDMN CCN1CCN(c2cc(N(C)C(=O)C[C@H](C)CC(C)C)cc([N+](=O)[O-])c2)CC1 ZINC001132279808 888530737 /nfs/dbraw/zinc/53/07/37/888530737.db2.gz SAUUXXIYSXTARC-QGZVFWFLSA-N 0 1 390.528 3.772 20 5 GHBDMN C[C@@H](CCc1ccccc1)NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC001184545311 913275785 /nfs/dbraw/zinc/27/57/85/913275785.db2.gz NYTGIAYSTBNNFT-NSHDSACASA-N 0 1 386.832 3.687 20 5 GHBDMN O=[N+]([O-])c1c(Nc2cccc(CN3CCSCC3)c2)nc2sccn21 ZINC000301167652 889192275 /nfs/dbraw/zinc/19/22/75/889192275.db2.gz DETZMNYLZGFKMQ-UHFFFAOYSA-N 0 1 375.479 3.596 20 5 GHBDMN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC(=Cc3cccc(F)c3)CC2)c1 ZINC000533540145 890800661 /nfs/dbraw/zinc/80/06/61/890800661.db2.gz SPVKZHASNPJNMD-HXUWFJFHSA-N 0 1 386.423 3.653 20 5 GHBDMN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000026356650 892541833 /nfs/dbraw/zinc/54/18/33/892541833.db2.gz MOCUEZSRJZSYRU-KRWDZBQOSA-N 0 1 399.516 3.810 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N[C@H](c2ccccc2)C2CC2)c1 ZINC001185154724 913721698 /nfs/dbraw/zinc/72/16/98/913721698.db2.gz MWBPOXFSWQGPTK-MRXNPFEDSA-N 0 1 384.816 3.817 20 5 GHBDMN CN(Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)[C@H]1CCCN(c2ccccc2)C1 ZINC000878163090 894062723 /nfs/dbraw/zinc/06/27/23/894062723.db2.gz MJZMSMUBSFFXPM-KRWDZBQOSA-N 0 1 393.447 3.746 20 5 GHBDMN CCO[C@@H]1C[C@H](NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])[C@H]1n1cccn1 ZINC000816672505 895016607 /nfs/dbraw/zinc/01/66/07/895016607.db2.gz BPDMBFALUAKAJU-SQWLQELKSA-N 0 1 385.251 3.606 20 5 GHBDMN O=C(CN[C@@H]1CC=CC[C@H]1C(F)(F)F)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000879669337 895217399 /nfs/dbraw/zinc/21/73/99/895217399.db2.gz PIWYOBPZIDGWSX-ZYHUDNBSSA-N 0 1 377.750 3.673 20 5 GHBDMN C[N@H+]1CCC[C@H](CNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000565036014 895361366 /nfs/dbraw/zinc/36/13/66/895361366.db2.gz OPZREFQZGNTNNX-KUHUBIRLSA-N 0 1 389.477 3.778 20 5 GHBDMN Cc1csc([C@@H]2CCN([C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)n1 ZINC000880007542 895446463 /nfs/dbraw/zinc/44/64/63/895446463.db2.gz JCBOCFOAKXQWJO-TZMCWYRMSA-N 0 1 385.449 3.960 20 5 GHBDMN C[C@@H]1C[C@H]1c1ccc(CNS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)o1 ZINC001185616399 913993480 /nfs/dbraw/zinc/99/34/80/913993480.db2.gz ZHKWPIKPTKVDMD-LDYMZIIASA-N 0 1 388.804 3.582 20 5 GHBDMN CC[C@H](c1ccccc1)[N@@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])CC(=O)[O-] ZINC000566020982 896052060 /nfs/dbraw/zinc/05/20/60/896052060.db2.gz KDJNCCMNXHWHKN-QGZVFWFLSA-N 0 1 388.420 3.520 20 5 GHBDMN O=[N+]([O-])c1ccccc1OC[C@H](O)CNc1ccc(N2CCCCCC2)cc1 ZINC000819395000 896617908 /nfs/dbraw/zinc/61/79/08/896617908.db2.gz HYFYWAYCBOUIOU-LJQANCHMSA-N 0 1 385.464 3.827 20 5 GHBDMN Cc1nccc(NCc2cc([N+](=O)[O-])ccc2OC(F)F)c1Br ZINC000567008979 896793264 /nfs/dbraw/zinc/79/32/64/896793264.db2.gz COFFLCFJCACRCL-UHFFFAOYSA-N 0 1 388.168 3.696 20 5 GHBDMN O=[N+]([O-])c1cc(NS(=O)(=O)c2ccccc2Cl)ccc1Br ZINC000129825281 896899163 /nfs/dbraw/zinc/89/91/63/896899163.db2.gz LTNCPQXGGVRSEF-UHFFFAOYSA-N 0 1 391.630 3.812 20 5 GHBDMN Cc1ccc2cccc(NS(=O)(=O)c3cc([N+](=O)[O-])c(F)cc3C)c2n1 ZINC000132379140 897771663 /nfs/dbraw/zinc/77/16/63/897771663.db2.gz KPUAPKSPTWQMSV-UHFFFAOYSA-N 0 1 375.381 3.700 20 5 GHBDMN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000821176590 897780203 /nfs/dbraw/zinc/78/02/03/897780203.db2.gz RQIUDRXOELEXKY-INIZCTEOSA-N 0 1 382.464 3.562 20 5 GHBDMN CCC[C@H]1CN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC001185932028 914211132 /nfs/dbraw/zinc/21/11/32/914211132.db2.gz ZINUUGVCBZKCOX-KRWDZBQOSA-N 0 1 384.436 3.994 20 5 GHBDMN O=C(NC[C@H](c1ccco1)N1CCCCC1)Nc1ccc([N+](=O)[O-])cc1F ZINC000569157625 898377009 /nfs/dbraw/zinc/37/70/09/898377009.db2.gz YAHOZNDHSBGWAQ-MRXNPFEDSA-N 0 1 376.388 3.676 20 5 GHBDMN O=[N+]([O-])c1ccc2c(c1)CN(C[C@@H](O)Cc1ccccc1C(F)(F)F)CC2 ZINC000155445170 898787873 /nfs/dbraw/zinc/78/78/73/898787873.db2.gz MPJJWWQFCLVYCU-KRWDZBQOSA-N 0 1 380.366 3.575 20 5 GHBDMN Cc1nc([C@H](C)NC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)n[nH]1 ZINC000569756473 898931109 /nfs/dbraw/zinc/93/11/09/898931109.db2.gz ISZCWOGKABDMAK-NSHDSACASA-N 0 1 383.433 3.664 20 5 GHBDMN Cc1[nH]nc(C(=O)N2C[C@@H](C)C[C@H]2c2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-] ZINC000331537512 898964973 /nfs/dbraw/zinc/96/49/73/898964973.db2.gz HMKZAGSHZGXAQH-ZANVPECISA-N 0 1 382.342 3.868 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1CN(Cc1cccc(O)c1)[C@H]1CC[C@H](O)CC1 ZINC000569863199 898992041 /nfs/dbraw/zinc/99/20/41/898992041.db2.gz MNYJFVFRWAQVPA-UAPYVXQJSA-N 0 1 386.448 3.615 20 5 GHBDMN Cc1cccc(CN(Cc2cccc(C)n2)Cc2cc(O)ccc2[N+](=O)[O-])n1 ZINC000569944638 899035835 /nfs/dbraw/zinc/03/58/35/899035835.db2.gz WCSXTTXVVPXPDJ-UHFFFAOYSA-N 0 1 378.432 3.910 20 5 GHBDMN Cc1ccc2nc([C@@H]3CCCN(C(=O)c4cc(F)ccc4[N+](=O)[O-])C3)[nH]c2c1 ZINC000155748594 899046692 /nfs/dbraw/zinc/04/66/92/899046692.db2.gz DQFZYFMQAVTNIW-CYBMUJFWSA-N 0 1 382.395 3.938 20 5 GHBDMN O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)o1 ZINC000289722324 914314390 /nfs/dbraw/zinc/31/43/90/914314390.db2.gz PJYZCXOGMANYMM-IUODEOHRSA-N 0 1 384.354 3.848 20 5 GHBDMN COc1cc(CNC[C@@H]2CC[C@@H](C)O2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC001202690797 899324741 /nfs/dbraw/zinc/32/47/41/899324741.db2.gz DGHHPRFALXUBST-QAPCUYQASA-N 0 1 386.448 3.840 20 5 GHBDMN CC(C)c1csc([C@H]2CCCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)n1 ZINC000332361810 899605295 /nfs/dbraw/zinc/60/52/95/899605295.db2.gz VBTYVUKCTBSPNW-LBPRGKRZSA-N 0 1 375.450 3.900 20 5 GHBDMN CC(C)([C@@H](NCc1cccnc1[N+](=O)[O-])c1ccc(F)c(F)c1)N1CCCC1 ZINC000886122745 900803533 /nfs/dbraw/zinc/80/35/33/900803533.db2.gz JKQZMLDYDPQJKZ-SFHVURJKSA-N 0 1 390.434 3.973 20 5 GHBDMN COC(=O)c1cccc(NC2CCN(C/C=C/c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000575368081 901217625 /nfs/dbraw/zinc/21/76/25/901217625.db2.gz SWQYSPVKDSYMBL-VMPITWQZSA-N 0 1 395.459 3.971 20 5 GHBDMN Cn1ccnc1[C@@H](NC[C@@]1(C)CCOC2(CCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000886776530 901267791 /nfs/dbraw/zinc/26/77/91/901267791.db2.gz JEDQMEMHMLVELT-ICSRJNTNSA-N 0 1 384.480 3.747 20 5 GHBDMN COc1cc(CN2CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000778951288 902159948 /nfs/dbraw/zinc/15/99/48/902159948.db2.gz JOZXJFKPIQPQJN-GDBMZVCRSA-N 0 1 393.484 3.729 20 5 GHBDMN CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000778981758 902490394 /nfs/dbraw/zinc/49/03/94/902490394.db2.gz QLBVJHALEYLAGW-LSDHHAIUSA-N 0 1 393.484 3.729 20 5 GHBDMN C[C@@](CO)(NCc1cccc(OCC(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC000601148388 903392986 /nfs/dbraw/zinc/39/29/86/903392986.db2.gz BCJJTMSKSBSKFD-KRWDZBQOSA-N 0 1 384.354 3.533 20 5 GHBDMN COc1ccccc1[C@@H](C)N(OC)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC001146563295 903563912 /nfs/dbraw/zinc/56/39/12/903563912.db2.gz HWMPSMDNDRMRBK-CYBMUJFWSA-N 0 1 396.403 3.758 20 5 GHBDMN CN(Cc1nc2ccc(C(F)(F)F)cc2[nH]1)C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC001147017865 903668808 /nfs/dbraw/zinc/66/88/08/903668808.db2.gz OIAARXKDGCWSOY-UHFFFAOYSA-N 0 1 396.300 3.901 20 5 GHBDMN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1cc(Cl)c(O)cc1F ZINC000579153953 904384072 /nfs/dbraw/zinc/38/40/72/904384072.db2.gz SXPOANHQTVMFIZ-UHFFFAOYSA-N 0 1 391.742 3.659 20 5 GHBDMN Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000579619451 904743317 /nfs/dbraw/zinc/74/33/17/904743317.db2.gz NZBUVWNKHBFWAV-LQDVMPOASA-N 0 1 392.406 3.840 20 5 GHBDMN Cn1nccc1C1C[C@H]2CC[C@@H](C1)N2Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000579619451 904743331 /nfs/dbraw/zinc/74/33/31/904743331.db2.gz NZBUVWNKHBFWAV-LQDVMPOASA-N 0 1 392.406 3.840 20 5 GHBDMN O=C(NC1CCN(Cc2cccnc2)CC1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000175669326 905626846 /nfs/dbraw/zinc/62/68/46/905626846.db2.gz BUIHWSFOHIIJAW-UHFFFAOYSA-N 0 1 396.472 3.599 20 5 GHBDMN O=C(Nc1ccccc1)N1CCN([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172916956 905988900 /nfs/dbraw/zinc/98/89/00/905988900.db2.gz VAUKQWXLRAASRO-FQEVSTJZSA-N 0 1 394.475 3.692 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CCC[C@H](Oc3cccnc3)C2)c1F ZINC001173189223 906270270 /nfs/dbraw/zinc/27/02/70/906270270.db2.gz JPNBFBVFZGZBNK-ZBFHGGJFSA-N 0 1 389.427 3.612 20 5 GHBDMN CCOC(=O)C1(CC)CCN([C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CC1 ZINC001173191689 906274754 /nfs/dbraw/zinc/27/47/54/906274754.db2.gz GAJQULOJLZSMTG-CQSZACIVSA-N 0 1 396.459 3.729 20 5 GHBDMN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC001173223143 906303193 /nfs/dbraw/zinc/30/31/93/906303193.db2.gz YPNAKSUJCNNTGA-HNNXBMFYSA-N 0 1 380.448 3.918 20 5 GHBDMN COc1ccc(OC)c(NC(=O)[C@H](C)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000178689594 906372358 /nfs/dbraw/zinc/37/23/58/906372358.db2.gz RQUQYHUGUUKDAU-KGLIPLIRSA-N 0 1 387.436 3.598 20 5 GHBDMN COc1cc(CN[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)c([N+](=O)[O-])cc1F ZINC000192127963 907446613 /nfs/dbraw/zinc/44/66/13/907446613.db2.gz VIEYLGBHAIPXIJ-QAPCUYQASA-N 0 1 382.338 3.641 20 5 GHBDMN O=[N+]([O-])c1ccc(Cl)cc1CNC[C@@H](O)c1cccc(Br)c1 ZINC000801733464 921434314 /nfs/dbraw/zinc/43/43/14/921434314.db2.gz JCNUPXZSSXFUTN-OAHLLOKOSA-N 0 1 385.645 3.834 20 5 GHBDMN O=C1CCCN1Cc1ccccc1CN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192653853 908808062 /nfs/dbraw/zinc/80/80/62/908808062.db2.gz QHJBOBQHSRJIEW-NRFANRHFSA-N 0 1 379.460 3.884 20 5 GHBDMN COc1cc(CN2CCC[C@H]2C[C@@H](O)c2cccs2)c([N+](=O)[O-])cc1OC ZINC000245736233 909869551 /nfs/dbraw/zinc/86/95/51/909869551.db2.gz FQYCZXAGLPJHMP-GOEBONIOSA-N 0 1 392.477 3.762 20 5 GHBDMN CC(C)SCCN1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC001180353247 910091286 /nfs/dbraw/zinc/09/12/86/910091286.db2.gz BESFRPLWXKHMMF-UHFFFAOYSA-N 0 1 377.432 3.877 20 5 GHBDMN Cc1ccc(OCCCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1C ZINC001182599690 911914177 /nfs/dbraw/zinc/91/41/77/911914177.db2.gz CWLFHYUBPFUCIN-UHFFFAOYSA-N 0 1 395.419 3.794 20 5 GHBDMN CC(C)[C@@H](CCNCc1nc2cc([N+](=O)[O-])ccc2o1)NC(=O)OC(C)(C)C ZINC001182988638 912174568 /nfs/dbraw/zinc/17/45/68/912174568.db2.gz BUAMGVVGBREYHB-CQSZACIVSA-N 0 1 392.456 3.765 20 5 GHBDMN CCOc1ccc2c(c1)c(=N)c1ccc(N)cc1n2C(=O)[C@H](O)C1CCCCC1 ZINC001187001218 914968982 /nfs/dbraw/zinc/96/89/82/914968982.db2.gz VKFQOPJJUPNMHM-JOCHJYFZSA-N 0 1 393.487 3.836 20 5 GHBDMN Cc1ccc(Cl)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1C ZINC000775143882 915497547 /nfs/dbraw/zinc/49/75/47/915497547.db2.gz CUBBMCDIHBXXSE-UHFFFAOYSA-N 0 1 385.785 3.574 20 5 GHBDMN CC(=O)c1cccc(S(=O)(=O)Nc2cccc3nc4ccccc4nc32)c1 ZINC001189236287 916485721 /nfs/dbraw/zinc/48/57/21/916485721.db2.gz XAKPUYKDZCTONZ-UHFFFAOYSA-N 0 1 377.425 3.786 20 5 GHBDMN O=C(C1CC1)N1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000119057085 919604128 /nfs/dbraw/zinc/60/41/28/919604128.db2.gz KHSNADMLXFCIBP-UHFFFAOYSA-N 0 1 385.489 3.768 20 5 GHBDMN CCN(C[C@@H]1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])C1)CC(F)(F)F ZINC000119280877 919614634 /nfs/dbraw/zinc/61/46/34/919614634.db2.gz WSRBXLKYMILIEU-LBPRGKRZSA-N 0 1 379.810 3.954 20 5 GHBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H](c3nc4c(s3)CCC4)C2)c1 ZINC000903631129 923139993 /nfs/dbraw/zinc/13/99/93/923139993.db2.gz KHQIVAMKJAGAIY-CYBMUJFWSA-N 0 1 387.461 3.618 20 5 GHBDMN CC(C)c1nc2c([nH]1)CC[C@@H](C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C)C2 ZINC000372446450 925435897 /nfs/dbraw/zinc/43/58/97/925435897.db2.gz LWUJKAZGJXATOS-MRXNPFEDSA-N 0 1 384.480 3.983 20 5 GHBDMN COc1ccc(Br)cc1CN(C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000749648930 927222832 /nfs/dbraw/zinc/22/28/32/927222832.db2.gz VDBMOTXUZSIUIQ-INIZCTEOSA-N 0 1 395.253 3.531 20 5 GHBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CSc1nc(C=Cc2ccccc2)n[nH]1 ZINC000012834695 927946109 /nfs/dbraw/zinc/94/61/09/927946109.db2.gz WQCOSTSFOLFSCQ-ZHACJKMWSA-N 0 1 395.444 3.923 20 5 GHBDMN O=C(NC1CC(c2ccc(F)c(Cl)c2)C1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000467853431 929510851 /nfs/dbraw/zinc/51/08/51/929510851.db2.gz QDRLSOGGMGFPEN-UHFFFAOYSA-N 0 1 388.786 3.940 20 5 GHBDMN CN(C)[C@H]1CCOc2c(NC(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)cccc21 ZINC000469246208 929730480 /nfs/dbraw/zinc/73/04/80/929730480.db2.gz CHWAAMXPIDYTAE-IBGZPJMESA-N 0 1 394.431 3.643 20 5 GHBDMN CN1CCN(c2ccccc2-c2noc(/C=C\c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000546429141 930157043 /nfs/dbraw/zinc/15/70/43/930157043.db2.gz PVESWNSQIDADDC-KTKRTIGZSA-N 0 1 391.431 3.567 20 5 GHBDMN CC(C)(NC(=O)C(F)(F)F)C(=O)OCc1nc2ccccc2c2ccccc12 ZINC000759120008 930280035 /nfs/dbraw/zinc/28/00/35/930280035.db2.gz IYAXCFBAZYWNPH-UHFFFAOYSA-N 0 1 390.361 3.888 20 5 GHBDMN COc1cc(S(=O)(=O)Nc2ccc(SC(F)F)cc2)ccc1[N+](=O)[O-] ZINC000759164369 930296378 /nfs/dbraw/zinc/29/63/78/930296378.db2.gz WXDPXLARPLMYIF-UHFFFAOYSA-N 0 1 390.389 3.719 20 5 GHBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC(NC(=O)c2ccoc2C)CC1 ZINC000470175883 930433528 /nfs/dbraw/zinc/43/35/28/930433528.db2.gz SXLPVEHAXPJQQG-NTCAYCPXSA-N 0 1 383.448 3.794 20 5 GHBDMN Cc1c(Cl)cc(S(=O)(=O)Nc2cccc(OCCF)c2)cc1[N+](=O)[O-] ZINC000470439675 930617244 /nfs/dbraw/zinc/61/72/44/930617244.db2.gz WYUYPZVVHOQRDK-UHFFFAOYSA-N 0 1 388.804 3.706 20 5 GHBDMN CN1CCN(c2ccccc2-c2noc(-c3ccc(Cl)cc3[N+](=O)[O-])n2)CC1 ZINC000547135230 930728259 /nfs/dbraw/zinc/72/82/59/930728259.db2.gz XPOYUEXCZNFYHG-UHFFFAOYSA-N 0 1 399.838 3.717 20 5 GHBDMN Cc1cc(-c2noc(-c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)n2)cc2nc[nH]c21 ZINC000547146657 930737299 /nfs/dbraw/zinc/73/72/99/930737299.db2.gz JBRWRRFPOYBJAG-UHFFFAOYSA-N 0 1 387.359 3.682 20 5 GHBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N(C)C[C@@H]1C[C@H](F)CN1Cc1nccs1 ZINC000470802678 930925834 /nfs/dbraw/zinc/92/58/34/930925834.db2.gz BHCHJQIIOFFKMB-KKUMJFAQSA-N 0 1 378.473 3.657 20 5 GHBDMN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000782505016 931245313 /nfs/dbraw/zinc/24/53/13/931245313.db2.gz VSDCSGHJIVWGPB-OLZOCXBDSA-N 0 1 383.876 3.983 20 5 GHBDMN O=C(NCc1cccc(OCc2ccccc2)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000557902265 931744296 /nfs/dbraw/zinc/74/42/96/931744296.db2.gz SKPPYFVWEYVUDB-UHFFFAOYSA-N 0 1 378.384 3.809 20 5 GHBDMN COc1ccc(-c2noc([C@@H](C)N(C)CCc3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000558739533 932204064 /nfs/dbraw/zinc/20/40/64/932204064.db2.gz OBSNZOYAEUFVAC-CQSZACIVSA-N 0 1 382.420 3.889 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1CN[C@H]1CCCN([C@@H](C)c2ccc(F)cc2)C1=O ZINC000559341458 932613720 /nfs/dbraw/zinc/61/37/20/932613720.db2.gz BYOYZHUQFSZSGK-YWZLYKJASA-N 0 1 385.439 3.884 20 5 GHBDMN O=[N+]([O-])c1cc(CN[C@H](c2cccs2)c2nnc[nH]2)cc(C(F)(F)F)c1 ZINC000559841634 932897538 /nfs/dbraw/zinc/89/75/38/932897538.db2.gz GBUXJPXQEZMTFM-CYBMUJFWSA-N 0 1 383.355 3.672 20 5 GHBDMN Cc1ccc(CN2CCCN(C(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)CC2)cc1 ZINC001115928567 933247661 /nfs/dbraw/zinc/24/76/61/933247661.db2.gz RLFFXPBSOFBQQD-UHFFFAOYSA-N 0 1 392.459 3.733 20 5 GHBDMN O=C(OCc1ccc([N+](=O)[O-])cc1Br)c1c(F)cc(O)cc1F ZINC001116663249 933691880 /nfs/dbraw/zinc/69/18/80/933691880.db2.gz JFYGWHKXMQRNKS-UHFFFAOYSA-N 0 1 388.120 3.698 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001118487963 934180351 /nfs/dbraw/zinc/18/03/51/934180351.db2.gz WZOOZJDVYPBDHR-RDJZCZTQSA-N 0 1 383.448 3.559 20 5 GHBDMN COC(=O)/C=C\c1ccc(NC[C@@H](c2ccco2)N2CCCC2)c([N+](=O)[O-])c1 ZINC000931318148 934501925 /nfs/dbraw/zinc/50/19/25/934501925.db2.gz SPWOIWLURCDBSV-CNRGFGOASA-N 0 1 385.420 3.623 20 5 GHBDMN C[C@@H](N[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1)[C@H](C)CO ZINC000828833512 935723359 /nfs/dbraw/zinc/72/33/59/935723359.db2.gz HDHCOOVPCGINIH-VFVRVIDISA-N 0 1 391.855 3.535 20 5 GHBDMN C[C@H](CNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC001592722220 979223036 /nfs/dbraw/zinc/22/30/36/979223036.db2.gz JMMHLQHFAGFFME-GFCCVEGCSA-N 0 1 389.839 3.805 20 5 GHBDMN CCOc1cccc(Cl)c1C[NH2+][C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001597155614 986951886 /nfs/dbraw/zinc/95/18/86/986951886.db2.gz PWRBRQDVMMHTEB-GOSISDBHSA-N 0 1 378.812 3.737 20 5 GHBDMN C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)[O-])c1cccc(Br)c1 ZINC001598525343 992712571 /nfs/dbraw/zinc/71/25/71/992712571.db2.gz BRPHBKYWNZYGOB-OAHLLOKOSA-N 0 1 379.210 3.615 20 5 GHBDMN CC(C)[N@@H+](Cc1ccc(F)cc1)Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001591596555 992822764 /nfs/dbraw/zinc/82/27/64/992822764.db2.gz HJPFPRLPPGKIFT-UHFFFAOYSA-N 0 1 376.384 3.608 20 5 GHBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCC(=O)Nc1ccc(F)c(F)c1F ZINC000468634419 1015861658 /nfs/dbraw/zinc/86/16/58/1015861658.db2.gz DHOJQSOSZJQBCB-XFFZJAGNSA-N 0 1 379.338 3.644 20 5 GHBDMN Cc1[nH]nc(C(=O)N2CCC[C@H](Cc3csc4ccccc34)C2)c1[N+](=O)[O-] ZINC000468717491 1015948425 /nfs/dbraw/zinc/94/84/25/1015948425.db2.gz OAJRNYBBHFVZCB-CYBMUJFWSA-N 0 1 384.461 3.936 20 5 GHBDMN O=[N+]([O-])c1cc(F)ccc1C=Cc1nc(Cc2nnc(-c3ccccc3)[nH]2)no1 ZINC000545789855 1016386373 /nfs/dbraw/zinc/38/63/73/1016386373.db2.gz AUXDTAFWJJFROS-VQHVLOKHSA-N 0 1 392.350 3.663 20 5 GHBDMN COC(=O)c1cccc(O[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C)c1[N+](=O)[O-] ZINC001227894195 1032673958 /nfs/dbraw/zinc/67/39/58/1032673958.db2.gz KTCZEWASCLZOKG-KXBFYZLASA-N 0 1 384.432 3.671 20 5 GHBDMN O=c1nc2cc([N+](=O)[O-])ccc2c(O[C@H]2CC[C@H](OCc3ccccc3)C2)[nH]1 ZINC001228243746 1032859213 /nfs/dbraw/zinc/85/92/13/1032859213.db2.gz BIMMYIFIURWWFS-HOTGVXAUSA-N 0 1 381.388 3.760 20 5 GHBDMN CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+](CC(=O)[O-])C2CCCC2)cc1OC ZINC000578644898 1020352758 /nfs/dbraw/zinc/35/27/58/1020352758.db2.gz NKMSMIBWFVGLRV-CQSZACIVSA-N 0 1 394.468 3.858 20 5 GHBDMN CC[C@H](N[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1c(C)nn(C)c1C ZINC000754433119 1022702540 /nfs/dbraw/zinc/70/25/40/1022702540.db2.gz AFSWZERJTXOILF-NHYWBVRUSA-N 0 1 393.875 3.666 20 5 GHBDMN C[C@@H](NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1csc2ccccc12 ZINC000754730216 1022863665 /nfs/dbraw/zinc/86/36/65/1022863665.db2.gz HDYWIUWCZQZQIM-LLVKDONJSA-N 0 1 399.428 3.828 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2cc(NS(=O)(=O)C3=Cc4ccccc4CC3)n[nH]2)c1 ZINC000754825629 1022915152 /nfs/dbraw/zinc/91/51/52/1022915152.db2.gz BSXRCUKHZQXDES-UHFFFAOYSA-N 0 1 396.428 3.714 20 5 GHBDMN COC(=O)c1cc([N+](=O)[O-])c(OCc2cc(Cl)cnc2OC(C)C)cc1O ZINC001228814426 1033114407 /nfs/dbraw/zinc/11/44/07/1033114407.db2.gz NHUPWCIKKABLPN-UHFFFAOYSA-N 0 1 396.783 3.502 20 5 GHBDMN O=c1cc(C(F)(F)F)[n-]c(O[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC001228861839 1033144712 /nfs/dbraw/zinc/14/47/12/1033144712.db2.gz ICZMJARPBBXTBC-ZDUSSCGKSA-N 0 1 397.353 3.758 20 5 GHBDMN O=[N+]([O-])c1c([O-])cc(C(F)(F)F)nc1O[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001228861839 1033144722 /nfs/dbraw/zinc/14/47/22/1033144722.db2.gz ICZMJARPBBXTBC-ZDUSSCGKSA-N 0 1 397.353 3.758 20 5 GHBDMN O=[N+]([O-])c1c([O-])cc(C(F)(F)F)nc1O[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001228861839 1033144729 /nfs/dbraw/zinc/14/47/29/1033144729.db2.gz ICZMJARPBBXTBC-ZDUSSCGKSA-N 0 1 397.353 3.758 20 5 GHBDMN COC(=O)c1c(O[C@H]2CCN(Cc3ccc(Cl)cc3)C2)cccc1[N+](=O)[O-] ZINC001229049486 1033250164 /nfs/dbraw/zinc/25/01/64/1033250164.db2.gz BQEWHJXFYXQZCX-HNNXBMFYSA-N 0 1 390.823 3.688 20 5 GHBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]2CC3(CC[C@@H]21)OCCO3 ZINC000832041276 1025171205 /nfs/dbraw/zinc/17/12/05/1025171205.db2.gz SLMLJOHIWANXEB-APWZRJJASA-N 0 1 390.480 3.890 20 5 GHBDMN CN(C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1F)c1cccc(C(F)(F)F)c1 ZINC000832303290 1025427572 /nfs/dbraw/zinc/42/75/72/1025427572.db2.gz YQZJZGNLNDXRQT-INIZCTEOSA-N 0 1 399.344 3.785 20 5 GHBDMN COc1cc(CN2CC[C@@H](C)[C@@H](CNC(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000839092306 1025591130 /nfs/dbraw/zinc/59/11/30/1025591130.db2.gz QYNXKGCPOUKVPJ-ZBFHGGJFSA-N 0 1 393.484 3.586 20 5 GHBDMN CN(C)[C@H](CNCc1c(Br)cccc1[N+](=O)[O-])c1ccsc1 ZINC001461020154 1069340814 /nfs/dbraw/zinc/34/08/14/1069340814.db2.gz DFOHKWOWJOBMEV-OAHLLOKOSA-N 0 1 384.299 3.811 20 5 GHBDMN CNc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(Br)cc2nc[nH]c21 ZINC001163054903 1026027924 /nfs/dbraw/zinc/02/79/24/1026027924.db2.gz PLBAGBCVXDETRD-UHFFFAOYSA-N 0 1 390.197 3.528 20 5 GHBDMN CO[C@H]1c2ccccc2C[C@H]1NCc1cccc([N+](=O)[O-])c1Br ZINC000839629311 1026134208 /nfs/dbraw/zinc/13/42/08/1026134208.db2.gz OJQZHGGVPBEPGF-PBHICJAKSA-N 0 1 377.238 3.759 20 5 GHBDMN CN1CCN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C[C@H]1C(C)(C)C ZINC001163996818 1026381057 /nfs/dbraw/zinc/38/10/57/1026381057.db2.gz SHCSGTLCWOOBFW-ZDUSSCGKSA-N 0 1 396.360 3.810 20 5 GHBDMN COC(=O)c1cc([N+](=O)[O-])c(Cl)cc1NCC1CN(Cc2ccccc2)C1 ZINC001165469244 1026735113 /nfs/dbraw/zinc/73/51/13/1026735113.db2.gz LRAYRLLTWPSEJW-UHFFFAOYSA-N 0 1 389.839 3.579 20 5 GHBDMN COc1nc(N2CC(c3ncn4cc(-c5ccoc5)ccc34)C2)ccc1[N+](=O)[O-] ZINC001166495438 1027014188 /nfs/dbraw/zinc/01/41/88/1027014188.db2.gz LXHRPEKTKFCSHP-UHFFFAOYSA-N 0 1 391.387 3.510 20 5 GHBDMN C[C@](CO)(NCc1cc2ccnc(Cl)c2s1)c1cccc([N+](=O)[O-])c1 ZINC001203373220 1027299202 /nfs/dbraw/zinc/29/92/02/1027299202.db2.gz NUSIRLCXZHIHNL-QGZVFWFLSA-N 0 1 377.853 3.855 20 5 GHBDMN Cc1cc(I)c(Nc2ccc(O)c([N+](=O)[O-])c2)cc1O ZINC001210399849 1027490661 /nfs/dbraw/zinc/49/06/61/1027490661.db2.gz XMIMWBXGINTPID-UHFFFAOYSA-N 0 1 386.145 3.663 20 5 GHBDMN COc1ccc(-c2noc(-c3ccc(O)cc3[N+](=O)[O-])n2)c(Br)c1 ZINC001216891363 1029982735 /nfs/dbraw/zinc/98/27/35/1029982735.db2.gz QHOKMJKPUJECET-UHFFFAOYSA-N 0 1 392.165 3.789 20 5 GHBDMN COc1cc(Br)cc(-c2noc(-c3ccc(O)cc3[N+](=O)[O-])n2)c1 ZINC001216891893 1029982784 /nfs/dbraw/zinc/98/27/84/1029982784.db2.gz YSCRRAVGEPFOIQ-UHFFFAOYSA-N 0 1 392.165 3.789 20 5 GHBDMN O=[N+]([O-])c1cc(O)cc(-c2nc(-c3cccc(Br)c3F)no2)c1 ZINC001216924543 1030004489 /nfs/dbraw/zinc/00/44/89/1030004489.db2.gz PBEGDDWQFCNJIA-UHFFFAOYSA-N 0 1 380.129 3.919 20 5 GHBDMN O=C(Cc1cccc(F)c1[N+](=O)[O-])Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1 ZINC001150106043 1030400904 /nfs/dbraw/zinc/40/09/04/1030400904.db2.gz HUZRCTUAGCLBIK-MRXNPFEDSA-N 0 1 384.367 3.643 20 5 GHBDMN Cc1ccc(C(=O)c2cc([O-])c(O[C@H](C)C3CC[NH2+]CC3)c([N+](=O)[O-])c2)cc1 ZINC001218003455 1030716763 /nfs/dbraw/zinc/71/67/63/1030716763.db2.gz VGOQJJWRQFJWRI-CQSZACIVSA-N 0 1 384.432 3.607 20 5 GHBDMN CC(C)(C)c1nc2c([nH]1)c1ccc(F)cc1c1c2ccnc1O[C@H]1CNC(=O)C1 ZINC001218338738 1030901465 /nfs/dbraw/zinc/90/14/65/1030901465.db2.gz JICNJVDJWCYIGZ-GFCCVEGCSA-N 0 1 392.434 3.968 20 5 GHBDMN COc1ccc(CCNC(=O)[C@@H](N)Cc2c3ccccc3cc3ccccc32)nc1 ZINC001220397003 1031928013 /nfs/dbraw/zinc/92/80/13/1031928013.db2.gz UOYQDBFOUSBCNJ-DEOSSOPVSA-N 0 1 399.494 3.625 20 5 GHBDMN CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3ccc(-c4ccccc4)cc3[N+](=O)[O-])C[C@H]1N2C ZINC001226386638 1031941341 /nfs/dbraw/zinc/94/13/41/1031941341.db2.gz POMIJYTZXXPUKA-PSHVLCQKSA-N 0 1 396.443 3.807 20 5 GHBDMN CCC(=O)c1cc(Br)cc([N+](=O)[O-])c1O[C@H]1CCN(C(C)C)C1 ZINC001229245064 1033364741 /nfs/dbraw/zinc/36/47/41/1033364741.db2.gz WVQLIMROLJCWEU-LBPRGKRZSA-N 0 1 385.258 3.812 20 5 GHBDMN O=[N+]([O-])c1ncc(Br)cc1O[C@H]1CCCN(Cc2ccccc2)C1 ZINC001229563153 1033559421 /nfs/dbraw/zinc/55/94/21/1033559421.db2.gz LXDMUPOXNWDNKU-HNNXBMFYSA-N 0 1 392.253 3.796 20 5 GHBDMN Cn1ncc2ccc(-c3noc(-c4cc(-c5ccc([N+](=O)[O-])cc5)n[nH]4)n3)cc21 ZINC001213008258 1033570954 /nfs/dbraw/zinc/57/09/54/1033570954.db2.gz AXTFJBTVJZITQH-UHFFFAOYSA-N 0 1 387.359 3.589 20 5 GHBDMN O=c1oc2cc(OC[C@@H]3COc4ccccc4O3)ccc2c2ccc(O)cc12 ZINC001229797564 1033722699 /nfs/dbraw/zinc/72/26/99/1033722699.db2.gz GXQRRAREKZBSHR-OAHLLOKOSA-N 0 1 376.364 3.871 20 5 GHBDMN CC(C)(C)OC(=O)N1CC2(C1)CC[C@H](Oc1cc3[nH]ncc3cc1[N+](=O)[O-])C2 ZINC001230595082 1034138418 /nfs/dbraw/zinc/13/84/18/1034138418.db2.gz IXHAFBMTPIEKKY-ZDUSSCGKSA-N 0 1 388.424 3.640 20 5 GHBDMN C[C@H]1C[C@@H](Oc2cc3[nH]ncc3cc2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C ZINC001230596085 1034139808 /nfs/dbraw/zinc/13/98/08/1034139808.db2.gz PLJUHSIKVXYWQJ-AAEUAGOBSA-N 0 1 376.413 3.638 20 5 GHBDMN C[C@@H]1C[C@H](Oc2cc3[nH]ncc3cc2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C ZINC001230596086 1034139964 /nfs/dbraw/zinc/13/99/64/1034139964.db2.gz PLJUHSIKVXYWQJ-DGCLKSJQSA-N 0 1 376.413 3.638 20 5 GHBDMN COc1ccc2nc(=O)[nH]c(O[C@H](c3ccc([N+](=O)[O-])cc3)C(F)(F)F)c2c1 ZINC001230861641 1034255352 /nfs/dbraw/zinc/25/53/52/1034255352.db2.gz DHOIZNPQDPNWFQ-CQSZACIVSA-N 0 1 395.293 3.935 20 5 GHBDMN O=[N+]([O-])c1cccc2ncnc(O[C@H]3CCN(Cc4ccccc4Cl)C3)c21 ZINC001231055374 1034368536 /nfs/dbraw/zinc/36/85/36/1034368536.db2.gz INWLAZKJZURYEU-AWEZNQCLSA-N 0 1 384.823 3.845 20 5 GHBDMN CN1CCN(CCNc2ccc(-c3cnc4c(ccc5cccnc54)c3)cn2)CC1 ZINC001241567816 1035625386 /nfs/dbraw/zinc/62/53/86/1035625386.db2.gz FQUHYQOVEANRAC-UHFFFAOYSA-N 0 1 398.514 3.504 20 5 GHBDMN CN(C)C[C@H](NC(=O)c1csc([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 ZINC001462053143 1069968503 /nfs/dbraw/zinc/96/85/03/1069968503.db2.gz OQFVXEYPAZTILN-ZDUSSCGKSA-N 0 1 388.276 3.996 20 5 GHBDMN Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)c1ccccc1N1CCN(C)CC1 ZINC001252114115 1038865709 /nfs/dbraw/zinc/86/57/09/1038865709.db2.gz TVXWNKWRXBCGNL-UHFFFAOYSA-N 0 1 388.855 3.561 20 5 GHBDMN CN(C)[C@@H](CNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)c1ccc(Cl)cc1 ZINC001252448923 1038996623 /nfs/dbraw/zinc/99/66/23/1038996623.db2.gz VOTXYQOQRHYIJM-SFHVURJKSA-N 0 1 388.855 3.576 20 5 GHBDMN O=[N+]([O-])c1cccc([C@H](O)CN2CCC(Nc3ccccc3Cl)CC2)c1 ZINC001253462977 1039653438 /nfs/dbraw/zinc/65/34/38/1039653438.db2.gz QDDQBLHGITYIFZ-LJQANCHMSA-N 0 1 375.856 3.858 20 5 GHBDMN COC(=O)c1ccc(O[C@@H]2CCCN(Cc3ccccc3F)C2)cc1[N+](=O)[O-] ZINC001234058354 1039792146 /nfs/dbraw/zinc/79/21/46/1039792146.db2.gz OMLKFTJGXXIAPG-MRXNPFEDSA-N 0 1 388.395 3.564 20 5 GHBDMN C[C@H](Cc1ccccc1[N+](=O)[O-])NCC(=O)c1cccc(Br)c1 ZINC001254531266 1040302130 /nfs/dbraw/zinc/30/21/30/1040302130.db2.gz CWTFVIUFODMOCI-GFCCVEGCSA-N 0 1 377.238 3.761 20 5 GHBDMN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001254552441 1040320506 /nfs/dbraw/zinc/32/05/06/1040320506.db2.gz LRGSCERHONBIEH-HLLBOEOZSA-N 0 1 377.485 3.761 20 5 GHBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001462623004 1070422137 /nfs/dbraw/zinc/42/21/37/1070422137.db2.gz LBYSUEVGNVVJQR-MJYCDUKWSA-N 0 1 375.469 3.843 20 5 GHBDMN C[C@H](C(=O)Nc1nc2cccc(Br)c2[nH]1)c1cccc([N+](=O)[O-])c1 ZINC001462711001 1070490125 /nfs/dbraw/zinc/49/01/25/1070490125.db2.gz OGALJAAHTZSSJQ-VIFPVBQESA-N 0 1 389.209 3.976 20 5 GHBDMN O=C(c1cc(-c2ccccc2O)[nH]n1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC001293650681 1044277969 /nfs/dbraw/zinc/27/79/69/1044277969.db2.gz LSQIKBZNYDVOME-LJQANCHMSA-N 0 1 396.428 3.578 20 5 GHBDMN C[C@@H](c1nc2ccc(Cl)cc2[nH]1)N(C)C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC001298250249 1045752573 /nfs/dbraw/zinc/75/25/73/1045752573.db2.gz XGIVDBUKQFCZTE-QMMMGPOBSA-N 0 1 391.790 3.679 20 5 GHBDMN CC(C)c1cc([C@@H]2CCCN(C(=O)CCC(=O)c3cccc([N+](=O)[O-])c3)C2)n[nH]1 ZINC001303319990 1047358619 /nfs/dbraw/zinc/35/86/19/1047358619.db2.gz IWYLJNJRHNGVOH-MRXNPFEDSA-N 0 1 398.463 3.810 20 5 GHBDMN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1n[nH]c2nc(C(F)(F)F)ccc12 ZINC001305699768 1048222799 /nfs/dbraw/zinc/22/27/99/1048222799.db2.gz AUORRXKSJCLSAO-UHFFFAOYSA-N 0 1 399.716 3.720 20 5 GHBDMN COc1ccc(CN2CC[C@H]2CNc2nccc3c2cccc3[N+](=O)[O-])cc1 ZINC001307169331 1049117231 /nfs/dbraw/zinc/11/72/31/1049117231.db2.gz MUHBATVJQFKZER-INIZCTEOSA-N 0 1 378.432 3.838 20 5 GHBDMN CCOc1cc(CN[C@H](CCO)c2ccc(Cl)c(F)c2)ccc1[N+](=O)[O-] ZINC001308000352 1049750280 /nfs/dbraw/zinc/75/02/80/1049750280.db2.gz ROCOLBPXJZSCLN-MRXNPFEDSA-N 0 1 382.819 3.999 20 5 GHBDMN CCNC(=O)c1ccc(CNCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC001308198926 1049909929 /nfs/dbraw/zinc/90/99/29/1049909929.db2.gz DJURXTWHFDBKNQ-UHFFFAOYSA-N 0 1 379.416 3.894 20 5 GHBDMN COc1ccc(CNCc2ccc[nH]c2=O)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC001308482289 1049986441 /nfs/dbraw/zinc/98/64/41/1049986441.db2.gz KPEMTNJXAIINBG-UHFFFAOYSA-N 0 1 395.415 3.573 20 5 GHBDMN O=C(CSc1ccccc1[N+](=O)[O-])Nc1nc(-c2cccc(Cl)c2)n[nH]1 ZINC001337476140 1052481849 /nfs/dbraw/zinc/48/18/49/1052481849.db2.gz WLUAJGKYCRMBEU-UHFFFAOYSA-N 0 1 389.824 3.764 20 5 GHBDMN CC[C@@H](NC(=O)NC[C@H]1CCN1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC001312312815 1052689628 /nfs/dbraw/zinc/68/96/28/1052689628.db2.gz BZMXRQSFNLQDOZ-WOJBJXKFSA-N 0 1 382.464 3.620 20 5 GHBDMN O=[N+]([O-])c1ccccc1-c1cnn(CN2CCC(Cc3cccnc3)CC2)c1 ZINC000848483402 1057118877 /nfs/dbraw/zinc/11/88/77/1057118877.db2.gz FFTJBKIVEMPRDY-UHFFFAOYSA-N 0 1 377.448 3.766 20 5 GHBDMN COC(=O)COc1ccc(CN[C@H](C)c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC001324464055 1057141178 /nfs/dbraw/zinc/14/11/78/1057141178.db2.gz HAFOLAKDMFFWBI-LLVKDONJSA-N 0 1 396.802 3.790 20 5 GHBDMN CC(C)Nc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1c[nH]c(C(F)(F)F)c1 ZINC001325197776 1057287817 /nfs/dbraw/zinc/28/78/17/1057287817.db2.gz UTEXUIGJCUQJHS-UHFFFAOYSA-N 0 1 392.359 3.563 20 5 GHBDMN COc1cccc(N2CCN(CCSCc3csc([N+](=O)[O-])c3)CC2)c1 ZINC001473086149 1057596077 /nfs/dbraw/zinc/59/60/77/1057596077.db2.gz WKKOUTIDKGQKJA-UHFFFAOYSA-N 0 1 393.534 3.720 20 5 GHBDMN O=C([O-])[C@@H]1C[C@H](C(F)(F)F)C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC001339150616 1058982873 /nfs/dbraw/zinc/98/28/73/1058982873.db2.gz DJTBLCSEZSUENW-NEPJUHHUSA-N 0 1 398.337 3.940 20 5 GHBDMN Cc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])c(F)cc2C)N2CCCC2)o1 ZINC001442868910 1059021108 /nfs/dbraw/zinc/02/11/08/1059021108.db2.gz BVECRGPYQLEKNL-QGZVFWFLSA-N 0 1 375.400 3.511 20 5 GHBDMN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)ccc1N1CCN(C)CC1 ZINC001341363610 1060612814 /nfs/dbraw/zinc/61/28/14/1060612814.db2.gz VVNHFAKXSNSFFW-UHFFFAOYSA-N 0 1 388.855 3.561 20 5 GHBDMN COc1ccc(-c2cc(C(=O)Nc3nccc4cc([N+](=O)[O-])ccc43)[nH]n2)cc1 ZINC001457894677 1063427284 /nfs/dbraw/zinc/42/72/84/1063427284.db2.gz SHKPALDRDMNDQJ-UHFFFAOYSA-N 0 1 389.371 3.794 20 5 GHBDMN CCC(=O)c1ccc(NCC2(N3CCSCC3)CCCC2)c([N+](=O)[O-])c1 ZINC001458101124 1063567529 /nfs/dbraw/zinc/56/75/29/1063567529.db2.gz WHOLQVJWTGOHKO-UHFFFAOYSA-N 0 1 377.510 3.961 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N[C@H]2C[C@H](c3ccccc3)C2)c1 ZINC001463632115 1064514886 /nfs/dbraw/zinc/51/48/86/1064514886.db2.gz NEJZATAINUJJEO-HAQNSBGRSA-N 0 1 384.816 3.612 20 5 GHBDMN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(CC2CCCCC2)CC1 ZINC001351738417 1064582777 /nfs/dbraw/zinc/58/27/77/1064582777.db2.gz NVEGPKMUHMEJHX-INIZCTEOSA-N 0 1 391.537 3.800 20 5 GHBDMN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(N3CCN(C)CC3)c(C)c2)c1C ZINC001351840738 1064636944 /nfs/dbraw/zinc/63/69/44/1064636944.db2.gz CFXITCNSTWHDNV-UHFFFAOYSA-N 0 1 382.464 3.524 20 5 GHBDMN COc1ccc2c(c1)CCCN(C(=O)c1cc(-c3ccc([N+](=O)[O-])cc3)[nH]n1)C2 ZINC001464864415 1065249554 /nfs/dbraw/zinc/24/95/54/1065249554.db2.gz VCRQWSPBUFIKNQ-UHFFFAOYSA-N 0 1 392.415 3.582 20 5 GHBDMN Cc1cc(NC(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])ccc1N1CCN(C)CC1 ZINC001465102252 1065393709 /nfs/dbraw/zinc/39/37/09/1065393709.db2.gz ZDXRCDKOSGMQOQ-MRXNPFEDSA-N 0 1 397.479 3.538 20 5 GHBDMN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cc(Cl)c2ccccc2c1O ZINC001467560849 1067359768 /nfs/dbraw/zinc/35/97/68/1067359768.db2.gz KMTFTAPQEWUMRF-UHFFFAOYSA-N 0 1 396.790 3.913 20 5 GHBDMN O=C(Nc1cccc(CN2CCSCC2)c1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001358095595 1067396371 /nfs/dbraw/zinc/39/63/71/1067396371.db2.gz NZKSCZAKIKOTSG-WOJBJXKFSA-N 0 1 397.500 3.886 20 5 GHBDMN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CN[C@@H]([C@@H]1CCCO1)C1(CO)CCC1 ZINC001460317753 1068923153 /nfs/dbraw/zinc/92/31/53/1068923153.db2.gz UPAJEJDFIVOAGB-HOCLYGCPSA-N 0 1 389.279 3.701 20 5 GHBDMN CC(C)c1ccc(C(=O)N2CCN[C@H](Cc3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC001470638223 1072662311 /nfs/dbraw/zinc/66/23/11/1072662311.db2.gz CSKHVHWKNOMEBG-GOSISDBHSA-N 0 1 385.439 3.514 20 5 GHBDMN CCOc1cc(NC[C@H](C)N2CCN(c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC001472658361 1073600397 /nfs/dbraw/zinc/60/03/97/1073600397.db2.gz DPPBZCHPGGOPLH-KRWDZBQOSA-N 0 1 384.480 3.616 20 5 GHBDMN COc1ccc(CN2CC[C@@H]2CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)cc1 ZINC001472833788 1073686867 /nfs/dbraw/zinc/68/68/67/1073686867.db2.gz BRRXAKMBHOUUKG-OAHLLOKOSA-N 0 1 393.390 3.891 20 5 GHBDMN C[C@](O)(CN1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)C(F)(F)C(F)(F)F ZINC001473486665 1073985711 /nfs/dbraw/zinc/98/57/11/1073985711.db2.gz MKUHUPBQPSOAKS-JSGCOSHPSA-N 0 1 382.329 3.723 20 5 GHBDMN COC(=O)c1ccc(CNC(C)(C)c2ccccc2[N+](=O)[O-])c2ncccc12 ZINC001473506525 1073993447 /nfs/dbraw/zinc/99/34/47/1073993447.db2.gz PJNPZGIALHJRPA-UHFFFAOYSA-N 0 1 379.416 3.955 20 5 GHBDMN CC(C)(C)c1ccc(C(C)(C)CNS(=O)(=O)c2ncccc2[N+](=O)[O-])cc1 ZINC001475158663 1074762408 /nfs/dbraw/zinc/76/24/08/1074762408.db2.gz NDAXJDRJNSSYIU-UHFFFAOYSA-N 0 1 391.493 3.543 20 5 GHBDMN C[C@@](CO)(Cc1ccccc1F)NCc1cc([N+](=O)[O-])ccc1Br ZINC001660389058 1126264520 /nfs/dbraw/zinc/26/45/20/1126264520.db2.gz KZVCEVQSZHEBPV-KRWDZBQOSA-N 0 1 397.244 3.580 20 5 GHBDMN COc1ccc2nc(SCC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])[nH]c2c1 ZINC000004274631 206214714 /nfs/dbraw/zinc/21/47/14/206214714.db2.gz ISNCPWGJKSYMDJ-UHFFFAOYSA-N 0 1 392.824 3.864 20 5 GHBDMN C[C@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc(-c2nn[nH]n2)c1 ZINC000820425682 599394052 /nfs/dbraw/zinc/39/40/52/599394052.db2.gz AKOBGSNKDWMXBT-ZDUSSCGKSA-N 0 1 390.403 3.886 20 5 GHBDMN CN(c1ccccc1)c1ccc(C[NH2+]Cc2ccc(C(=O)[O-])o2)cc1[N+](=O)[O-] ZINC000737506649 600523708 /nfs/dbraw/zinc/52/37/08/600523708.db2.gz UTJREGKBRYQLHE-UHFFFAOYSA-N 0 1 381.388 3.944 20 5 GHBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824771531 608465320 /nfs/dbraw/zinc/46/53/20/608465320.db2.gz QXGGTZKTTVIUHA-CQSZACIVSA-N 0 1 376.420 3.625 20 5 GHBDMN O=[N+]([O-])c1ccccc1C=CCN1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826500320 608858533 /nfs/dbraw/zinc/85/85/33/608858533.db2.gz TZLYLQZUUFGCAP-HWKANZROSA-N 0 1 388.431 3.577 20 5 GHBDMN Cc1cc([N+](=O)[O-])c(N2CCn3c(CN(C)C(C)C)cnc3[C@@H]2C)nc1Cl ZINC001164857045 720948297 /nfs/dbraw/zinc/94/82/97/720948297.db2.gz GCNAAIUALUNLGE-ZDUSSCGKSA-N 0 1 392.891 3.570 20 5 GHBDMN CCc1[nH]nc(C(=O)N(CC)[C@H](C)Cc2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-] ZINC000598454975 834717110 /nfs/dbraw/zinc/71/71/10/834717110.db2.gz XYNJDCFDBHJLLF-LLVKDONJSA-N 0 1 398.385 3.992 20 5 GHBDMN CSC1(CN2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CC1 ZINC000583878454 835194015 /nfs/dbraw/zinc/19/40/15/835194015.db2.gz HOIKKCLYNDBEFD-UHFFFAOYSA-N 0 1 375.416 3.631 20 5 GHBDMN C[C@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccccc1Cl ZINC000559150076 835318877 /nfs/dbraw/zinc/31/88/77/835318877.db2.gz QOYGOMSQXOCFFF-VIFPVBQESA-N 0 1 375.233 3.941 20 5 GHBDMN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc2c1OCC[C@@H]2N(C)C ZINC000471164839 835332111 /nfs/dbraw/zinc/33/21/11/835332111.db2.gz JTTDMVSAJCYEIU-HNNXBMFYSA-N 0 1 385.420 3.631 20 5 GHBDMN O=C1OC(c2ccc(Cl)c([N+](=O)[O-])c2)=N/C1=C\c1cc(F)c(O)c(F)c1 ZINC000255658418 835501007 /nfs/dbraw/zinc/50/10/07/835501007.db2.gz MYEQZLGAICTSBV-XGICHPGQSA-N 0 1 380.690 3.577 20 5 GHBDMN COc1cc(C(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)cc([N+](=O)[O-])c1C ZINC000188489647 835958169 /nfs/dbraw/zinc/95/81/69/835958169.db2.gz ICAKIDHCCKYMRV-INIZCTEOSA-N 0 1 397.475 3.648 20 5 GHBDMN C[C@H](c1ccc(F)cc1)N1CC[C@@H](N(C)CCc2cccc([N+](=O)[O-])c2)C1=O ZINC000549686547 844115155 /nfs/dbraw/zinc/11/51/55/844115155.db2.gz HQZSAMDCQVCTAL-FOIQADDNSA-N 0 1 385.439 3.570 20 5 GHBDMN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179835363 836015762 /nfs/dbraw/zinc/01/57/62/836015762.db2.gz IKFCDNXGSJZUDK-CQSZACIVSA-N 0 1 384.440 3.619 20 5 GHBDMN COc1cccc(C2CCN([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)CC2)c1 ZINC000547751050 836020575 /nfs/dbraw/zinc/02/05/75/836020575.db2.gz PDUKZTVTASICAN-OAQYLSRUSA-N 0 1 395.459 3.588 20 5 GHBDMN O=C(Nc1cccc2cc(Br)cnc21)c1cc(O)cc([N+](=O)[O-])c1 ZINC000557418216 836046573 /nfs/dbraw/zinc/04/65/73/836046573.db2.gz VRNVUGYCNCAWIY-UHFFFAOYSA-N 0 1 388.177 3.863 20 5 GHBDMN CCOc1cc(CN[C@H](C)c2ccc3c(c2)O[C@H](CC)C(=O)N3)ccc1[N+](=O)[O-] ZINC000276954600 844137265 /nfs/dbraw/zinc/13/72/65/844137265.db2.gz USAAROBBIIFSIZ-FZKQIMNGSA-N 0 1 399.447 3.954 20 5 GHBDMN CC(C)(C)C[C@@H](NS(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000610261010 836824038 /nfs/dbraw/zinc/82/40/38/836824038.db2.gz QBYAULVRIPUTQH-CQSZACIVSA-N 0 1 381.429 3.585 20 5 GHBDMN C[C@H](NCC(=O)NCc1ccc(F)cc1C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000180446839 837266372 /nfs/dbraw/zinc/26/63/72/837266372.db2.gz DNEDWKLGHJMHJN-NSHDSACASA-N 0 1 399.344 3.720 20 5 GHBDMN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC(c2c[nH]c3ncccc23)CC1 ZINC000118838093 837931686 /nfs/dbraw/zinc/93/16/86/837931686.db2.gz GUZDHJAZSPOFTR-CQSZACIVSA-N 0 1 393.447 3.678 20 5 GHBDMN CCOc1ccc([C@@H](C)N[C@@H]2CCN(Cc3ccc(C)cc3)C2=O)cc1[N+](=O)[O-] ZINC000189089736 838069383 /nfs/dbraw/zinc/06/93/83/838069383.db2.gz DZTXKNCWUHMDHO-VQIMIIECSA-N 0 1 397.475 3.754 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(OC(F)(F)F)c1 ZINC000024429445 838075330 /nfs/dbraw/zinc/07/53/30/838075330.db2.gz WWMAILWLIUNHJD-UHFFFAOYSA-N 0 1 376.312 3.603 20 5 GHBDMN COc1ccc2c(c1)CCC[C@@H]2N(C)Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000782892777 838290893 /nfs/dbraw/zinc/29/08/93/838290893.db2.gz AZGXCUMZDKANHE-IBGZPJMESA-N 0 1 381.436 3.623 20 5 GHBDMN Cc1nc2c(n1[C@H]1CCN(C(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)C1)CCCC2 ZINC000548007595 838437761 /nfs/dbraw/zinc/43/77/61/838437761.db2.gz FBQZOBIVBXHGBO-AWEZNQCLSA-N 0 1 393.447 3.547 20 5 GHBDMN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000452171063 838518149 /nfs/dbraw/zinc/51/81/49/838518149.db2.gz JRSDZEHBIBRYHL-OAHLLOKOSA-N 0 1 391.537 3.899 20 5 GHBDMN COCCSc1ccc([C@@H](C)NCc2ccc(O)c(OC)c2[N+](=O)[O-])cc1 ZINC000892916165 839393502 /nfs/dbraw/zinc/39/35/02/839393502.db2.gz KBLPIAWJQNSLGD-CYBMUJFWSA-N 0 1 392.477 3.898 20 5 GHBDMN CCOC(=O)[C@@H]1CC[C@@H](NCc2cc([N+](=O)[O-])ccc2OC)c2ccccc21 ZINC000549228547 839414809 /nfs/dbraw/zinc/41/48/09/839414809.db2.gz OXHKNEFOTWEIJI-RTBURBONSA-N 0 1 384.432 3.875 20 5 GHBDMN C[N@@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000549446610 839421066 /nfs/dbraw/zinc/42/10/66/839421066.db2.gz UUDOYFZLVBQIEW-UHFFFAOYSA-N 0 1 384.411 3.894 20 5 GHBDMN O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCNC[C@@H]1c1cccc(Cl)c1 ZINC000261806856 839749259 /nfs/dbraw/zinc/74/92/59/839749259.db2.gz HGTJVCOQMYGBLQ-QGZVFWFLSA-N 0 1 391.880 3.513 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2cnc(CCN3CCC4(C3)Oc3ccccc3O4)o2)c1 ZINC000566819943 840504486 /nfs/dbraw/zinc/50/44/86/840504486.db2.gz CGCYCCMBBUHWBB-UHFFFAOYSA-N 0 1 393.399 3.666 20 5 GHBDMN CN(C[C@@H]1CCCO[C@H]1c1ccccc1)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000050863869 840948344 /nfs/dbraw/zinc/94/83/44/840948344.db2.gz LGRFDBOHJGCDRT-YWZLYKJASA-N 0 1 394.431 3.711 20 5 GHBDMN O=C(NCC1CCN(Cc2ccccc2Cl)CC1)c1ccc([N+](=O)[O-])s1 ZINC000106829360 841114055 /nfs/dbraw/zinc/11/40/55/841114055.db2.gz HGMWSJIVKIMOKW-UHFFFAOYSA-N 0 1 393.896 3.952 20 5 GHBDMN CN(C)C(=O)c1ccccc1CNCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000418043423 841428034 /nfs/dbraw/zinc/42/80/34/841428034.db2.gz ZACZTXBUJQQHKV-UHFFFAOYSA-N 0 1 381.354 3.605 20 5 GHBDMN O=C(CSc1nc(C=Cc2ccccc2)n[nH]1)Nc1ccccc1[N+](=O)[O-] ZINC000105579358 841560261 /nfs/dbraw/zinc/56/02/61/841560261.db2.gz QKESLAPCTJRVOX-ZHACJKMWSA-N 0 1 381.417 3.614 20 5 GHBDMN O=C(Nc1cccc(-c2nnc[nH]2)c1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001126065884 841634737 /nfs/dbraw/zinc/63/47/37/841634737.db2.gz UKWLNNHRMTUUQR-UHFFFAOYSA-N 0 1 377.282 3.651 20 5 GHBDMN Cc1cc(N2CCN(C(=O)C3CCCCC3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302177820 861230527 /nfs/dbraw/zinc/23/05/27/861230527.db2.gz NHQFTSLWKDEVJE-UHFFFAOYSA-N 0 1 382.464 3.680 20 5 GHBDMN O=[N+]([O-])c1cnc(NCc2nc3ccc(Cl)cc3[nH]2)c(Br)c1 ZINC000610512366 841733991 /nfs/dbraw/zinc/73/39/91/841733991.db2.gz OJVCLGHZTRMNSQ-UHFFFAOYSA-N 0 1 382.605 3.894 20 5 GHBDMN Cc1cc(N2CCC[C@H](c3nnc4ccccn43)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302187022 861233200 /nfs/dbraw/zinc/23/32/00/861233200.db2.gz PVMMXLHNCOEBAH-HNNXBMFYSA-N 0 1 388.431 3.878 20 5 GHBDMN Cc1cc(Br)ccc1NC(=O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000182022924 842280063 /nfs/dbraw/zinc/28/00/63/842280063.db2.gz QMLUTXBIFMRODA-LBPRGKRZSA-N 0 1 392.253 3.955 20 5 GHBDMN COc1ccc(NC(=O)CN2CCC[C@@H]2CCc2ccccc2)c([N+](=O)[O-])c1 ZINC000603895575 861346327 /nfs/dbraw/zinc/34/63/27/861346327.db2.gz URCDRAKGNIUBMR-QGZVFWFLSA-N 0 1 383.448 3.639 20 5 GHBDMN O=C(NC1CC1)c1ccc(C[N@H+](CCOc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000051406642 842969167 /nfs/dbraw/zinc/96/91/67/842969167.db2.gz TYBVLQUZQRQYLP-UHFFFAOYSA-N 0 1 395.459 3.530 20 5 GHBDMN CC[C@H](NCc1ccccc1OCCN1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000162035451 861387640 /nfs/dbraw/zinc/38/76/40/861387640.db2.gz JLEOFXQXULVZSZ-NRFANRHFSA-N 0 1 399.491 3.547 20 5 GHBDMN CCOc1cc(CN[C@H](C)c2cccc(N3CCOC3=O)c2)ccc1[N+](=O)[O-] ZINC000276830332 843411358 /nfs/dbraw/zinc/41/13/58/843411358.db2.gz AWRVCERASOLXNI-CQSZACIVSA-N 0 1 385.420 3.801 20 5 GHBDMN C[C@@H](NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)C(=O)NCCF ZINC000500460870 843492804 /nfs/dbraw/zinc/49/28/04/843492804.db2.gz IGSTXHGYJWRZIN-GFCCVEGCSA-N 0 1 395.818 3.604 20 5 GHBDMN CC[C@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1OCC(=O)N(C)C ZINC000165700355 843656314 /nfs/dbraw/zinc/65/63/14/843656314.db2.gz ZSJUKQSUQFNBHW-KXBFYZLASA-N 0 1 385.464 3.864 20 5 GHBDMN Cc1cc(C)n(-c2cccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3C)c2)n1 ZINC000603975978 861526566 /nfs/dbraw/zinc/52/65/66/861526566.db2.gz VAWBVDANXAPLCN-UHFFFAOYSA-N 0 1 386.433 3.507 20 5 GHBDMN CC[NH+](CC)Cc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000469006630 845259188 /nfs/dbraw/zinc/25/91/88/845259188.db2.gz RNXSZFVPHRJTBR-UHFFFAOYSA-N 0 1 377.466 3.546 20 5 GHBDMN Cc1ccc(-c2cc(C(=O)N(C)CCc3cccc([N+](=O)[O-])c3)n[nH]2)c(C)c1 ZINC000513353116 845266904 /nfs/dbraw/zinc/26/69/04/845266904.db2.gz HLOKNOIZVSGWNQ-UHFFFAOYSA-N 0 1 378.432 3.916 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N2CCc3cc(Cl)cc(Cl)c3C2)c1[N+](=O)[O-] ZINC000434018543 845734421 /nfs/dbraw/zinc/73/44/21/845734421.db2.gz PECDFNVCVNSTAY-UHFFFAOYSA-N 0 1 383.235 3.947 20 5 GHBDMN CCc1ccc(C(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000472079876 845748808 /nfs/dbraw/zinc/74/88/08/845748808.db2.gz XPVLRBXQCMNBCS-KRWDZBQOSA-N 0 1 381.476 3.894 20 5 GHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H](c2ccccc2)C(F)(F)F)c(Cl)c1 ZINC000604036999 861654666 /nfs/dbraw/zinc/65/46/66/861654666.db2.gz TVFBKPRFZVZRRY-CYBMUJFWSA-N 0 1 394.758 3.830 20 5 GHBDMN CCCc1[nH]nc(C(=O)N2CC=C(c3cccc4ccccc43)C2)c1[N+](=O)[O-] ZINC000501600152 847051182 /nfs/dbraw/zinc/05/11/82/847051182.db2.gz TYAQMTYGSVBGBM-UHFFFAOYSA-N 0 1 376.416 3.963 20 5 GHBDMN O=[N+]([O-])c1ccc(CNCCc2nc(-c3cccc(Cl)c3)no2)c(F)c1 ZINC000478359175 847064034 /nfs/dbraw/zinc/06/40/34/847064034.db2.gz VKULCNJMCFOOTL-UHFFFAOYSA-N 0 1 376.775 3.770 20 5 GHBDMN O=C(NC[C@H](c1ccco1)N1CCCC1)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599831422 861757209 /nfs/dbraw/zinc/75/72/09/861757209.db2.gz UPOICYQKERYQDD-GOSISDBHSA-N 0 1 395.419 3.695 20 5 GHBDMN CC(C)(C)OC(=O)c1cccc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000501871497 847278237 /nfs/dbraw/zinc/27/82/37/847278237.db2.gz PDMFENOQISHGFH-UHFFFAOYSA-N 0 1 386.452 3.584 20 5 GHBDMN Cc1cscc1CNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000562074167 847518398 /nfs/dbraw/zinc/51/83/98/847518398.db2.gz LQTSGTSTBFUXGE-UHFFFAOYSA-N 0 1 388.230 3.859 20 5 GHBDMN Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCN(C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000502215474 847617516 /nfs/dbraw/zinc/61/75/16/847617516.db2.gz HPAQCPYYFSOFEK-OAQYLSRUSA-N 0 1 396.491 3.609 20 5 GHBDMN O=C(NCc1nc2ccc(Cl)cc2[nH]1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000611642085 847748157 /nfs/dbraw/zinc/74/81/57/847748157.db2.gz NMJKVDDDIRJHIE-UHFFFAOYSA-N 0 1 396.737 3.656 20 5 GHBDMN O=[N+]([O-])c1ccc2ncnc(NC3CCN(Cc4ccc(F)cc4)CC3)c2c1 ZINC000611701639 848019790 /nfs/dbraw/zinc/01/97/90/848019790.db2.gz PMNZLHCGYLAPTA-UHFFFAOYSA-N 0 1 381.411 3.754 20 5 GHBDMN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(Oc2ccccc2)nc1 ZINC000511182708 848053632 /nfs/dbraw/zinc/05/36/32/848053632.db2.gz JELAPVQPJAHJQH-UHFFFAOYSA-N 0 1 385.401 3.891 20 5 GHBDMN CN(Cc1ccc(Br)c(F)c1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000755207094 848146661 /nfs/dbraw/zinc/14/66/61/848146661.db2.gz OUCBOHYSIMADGO-MRXNPFEDSA-N 0 1 383.217 3.662 20 5 GHBDMN CN(C)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1Cl ZINC000731783629 861889621 /nfs/dbraw/zinc/88/96/21/861889621.db2.gz TVEGHDMIDMZDHI-UHFFFAOYSA-N 0 1 390.248 3.768 20 5 GHBDMN Cc1ccc(Sc2ccc(C(=O)N[C@@H]3CCCN(C)C3)cc2[N+](=O)[O-])cc1 ZINC000604199950 861968107 /nfs/dbraw/zinc/96/81/07/861968107.db2.gz XWTMLQARNPCXPX-MRXNPFEDSA-N 0 1 385.489 3.878 20 5 GHBDMN CCOCCN(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])[C@@H]1CCc2ccccc21 ZINC000600450663 862020703 /nfs/dbraw/zinc/02/07/03/862020703.db2.gz YGBNZCFAKBUUNB-MRXNPFEDSA-N 0 1 386.452 3.608 20 5 GHBDMN COc1ccc(-c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3C)[nH]n2)cc1OC ZINC000434222929 850012950 /nfs/dbraw/zinc/01/29/50/850012950.db2.gz OPZACBMXUOPAMV-UHFFFAOYSA-N 0 1 382.376 3.563 20 5 GHBDMN CC(C)(CO)[C@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1cccs1 ZINC000514893804 850423219 /nfs/dbraw/zinc/42/32/19/850423219.db2.gz RPNQSEAHXIMURB-MRXNPFEDSA-N 0 1 397.884 3.598 20 5 GHBDMN COCCN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)[C@H]1CCOC1 ZINC000426525418 850565767 /nfs/dbraw/zinc/56/57/67/850565767.db2.gz WBLXUQIBAYPQPQ-AWEZNQCLSA-N 0 1 380.828 3.746 20 5 GHBDMN Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000132574522 862169771 /nfs/dbraw/zinc/16/97/71/862169771.db2.gz GBVWOQMRZFZDCW-HNNXBMFYSA-N 0 1 398.488 3.881 20 5 GHBDMN COc1ccc(-c2cc(C(=O)Nc3cc([N+](=O)[O-])c(C)cc3C)[nH]n2)cc1OC ZINC000434227718 850908713 /nfs/dbraw/zinc/90/87/13/850908713.db2.gz LEDXGKCRNUBSKM-UHFFFAOYSA-N 0 1 396.403 3.871 20 5 GHBDMN Cc1ccc2nc(CNC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH]c2c1 ZINC000174867214 851014859 /nfs/dbraw/zinc/01/48/59/851014859.db2.gz CEHKXLCIZMUYEV-UHFFFAOYSA-N 0 1 378.310 3.728 20 5 GHBDMN O=[N+]([O-])c1ccn(CCN2CCC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)n1 ZINC000440312540 851029498 /nfs/dbraw/zinc/02/94/98/851029498.db2.gz FFFXOAGLAISNNH-ZDUSSCGKSA-N 0 1 385.251 3.642 20 5 GHBDMN COc1ccc(-c2n[nH]c(SCc3c(F)cc([N+](=O)[O-])cc3F)n2)cc1 ZINC000505432073 851266359 /nfs/dbraw/zinc/26/63/59/851266359.db2.gz DQHHZMVNOWBEFC-UHFFFAOYSA-N 0 1 378.360 3.959 20 5 GHBDMN CN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000604521197 862243011 /nfs/dbraw/zinc/24/30/11/862243011.db2.gz BSXVBURHUUUHHO-GCJKJVERSA-N 0 1 397.475 3.657 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000604521538 862244307 /nfs/dbraw/zinc/24/43/07/862244307.db2.gz PSBWARHDUJUQDL-GCJKJVERSA-N 0 1 397.475 3.941 20 5 GHBDMN CCCc1[nH]nc(C(=O)N2CC[C@](F)(c3cccc(Cl)c3)C2)c1[N+](=O)[O-] ZINC000514241273 851462065 /nfs/dbraw/zinc/46/20/65/851462065.db2.gz JNLMJHGHJFYRCP-QGZVFWFLSA-N 0 1 380.807 3.635 20 5 GHBDMN COc1cc([C@H](C)NC(=O)c2cc(O)cc([N+](=O)[O-])c2)ccc1OCC(C)C ZINC000505475114 851501017 /nfs/dbraw/zinc/50/10/17/851501017.db2.gz YFGYPHODGKHUKT-ZDUSSCGKSA-N 0 1 388.420 3.835 20 5 GHBDMN CN(C(=O)c1cccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1)c1ccccc1 ZINC000505805410 851543211 /nfs/dbraw/zinc/54/32/11/851543211.db2.gz QJTHTSXVAYCHKB-UHFFFAOYSA-N 0 1 391.383 3.829 20 5 GHBDMN O=C(Nc1nc2ccc(F)cc2[nH]1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000488895972 851851349 /nfs/dbraw/zinc/85/13/49/851851349.db2.gz FOPBVEYZZPMIOD-UHFFFAOYSA-N 0 1 398.272 3.804 20 5 GHBDMN CCNC(=O)[C@@H](NCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)C(C)C ZINC000550239910 852084035 /nfs/dbraw/zinc/08/40/35/852084035.db2.gz KWDCWEYOIAKXLH-FQEVSTJZSA-N 0 1 384.480 3.613 20 5 GHBDMN CCC(=O)c1ccc(O)c(NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000436649124 852139610 /nfs/dbraw/zinc/13/96/10/852139610.db2.gz VWIMXRQMNJICDK-UHFFFAOYSA-N 0 1 394.387 3.546 20 5 GHBDMN CCCCOc1cc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)ccc1OC ZINC000425994323 852339908 /nfs/dbraw/zinc/33/99/08/852339908.db2.gz GNJVLQAIICCIQA-UHFFFAOYSA-N 0 1 388.468 3.816 20 5 GHBDMN Cc1c(Br)cc(C(=O)Nc2ncc(C(F)(F)F)[nH]2)cc1[N+](=O)[O-] ZINC000507020627 852462791 /nfs/dbraw/zinc/46/27/91/852462791.db2.gz DPMYTJWTFUYNQP-UHFFFAOYSA-N 0 1 393.119 3.660 20 5 GHBDMN Cc1ccc(NC(=O)[C@H](N[C@@H]2CSC[C@H]2C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000507221470 852686612 /nfs/dbraw/zinc/68/66/12/852686612.db2.gz KEWZMJUASYXARC-LSBZLQRGSA-N 0 1 385.489 3.924 20 5 GHBDMN C[C@@H](N[C@@H](C)c1ccc2n[nH]cc2c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000507245203 852712700 /nfs/dbraw/zinc/71/27/00/852712700.db2.gz WWDOXESYEBTKQH-WDEREUQCSA-N 0 1 387.827 3.802 20 5 GHBDMN C[C@@H](SCc1ccccc1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000490362784 852962706 /nfs/dbraw/zinc/96/27/06/852962706.db2.gz GNFABHVSJZVJLI-GFCCVEGCSA-N 0 1 383.433 3.640 20 5 GHBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)[C@@H]1C[C@H]1c1ccccc1Cl ZINC000490366900 852966371 /nfs/dbraw/zinc/96/63/71/852966371.db2.gz MXBXHXJQFCJLTF-UONOGXRCSA-N 0 1 383.795 3.776 20 5 GHBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000490360523 852980364 /nfs/dbraw/zinc/98/03/64/852980364.db2.gz DFDYQQHSTDXXTD-QWRGUYRKSA-N 0 1 383.330 3.687 20 5 GHBDMN CCN(c1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1)C(C)C ZINC000490396719 852985341 /nfs/dbraw/zinc/98/53/41/852985341.db2.gz HQMGCKRKHLLGKB-UHFFFAOYSA-N 0 1 394.435 3.867 20 5 GHBDMN O=[N+]([O-])c1cccc(CN(C[C@@H](O)COc2ccccc2Cl)C2CC2)c1 ZINC000490421766 853006036 /nfs/dbraw/zinc/00/60/36/853006036.db2.gz VSYMCSROAHCOFL-QGZVFWFLSA-N 0 1 376.840 3.653 20 5 GHBDMN Cc1ccc(C[C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c2ccccn2)cc1 ZINC000506472786 853236941 /nfs/dbraw/zinc/23/69/41/853236941.db2.gz UYTPIYYCFHEVDL-HXUWFJFHSA-N 0 1 377.400 3.718 20 5 GHBDMN O=[N+]([O-])c1cnn(CCNCc2ccc(-c3ccc(C(F)(F)F)cc3)o2)c1 ZINC000151272728 853258880 /nfs/dbraw/zinc/25/88/80/853258880.db2.gz FUOLKJZZIKNYEA-UHFFFAOYSA-N 0 1 380.326 3.860 20 5 GHBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1cccc(-c2cscn2)c1 ZINC000439191994 853395239 /nfs/dbraw/zinc/39/52/39/853395239.db2.gz WFKHEJPFSWPRQS-UHFFFAOYSA-N 0 1 392.400 3.756 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2ccc(CN3CCN(c4cccc(O)c4)CC3)o2)cc1 ZINC000506124676 853507748 /nfs/dbraw/zinc/50/77/48/853507748.db2.gz IJRVIAXQNLYSOP-UHFFFAOYSA-N 0 1 379.416 3.883 20 5 GHBDMN CCOc1ccc(NC(=O)CN(CC)[C@@H](C)Cc2ccsc2)c([N+](=O)[O-])c1 ZINC000425911132 853573032 /nfs/dbraw/zinc/57/30/32/853573032.db2.gz ARGSVPOGHJPZLE-AWEZNQCLSA-N 0 1 391.493 3.947 20 5 GHBDMN Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccc2nc(-c3ccc(F)cc3)[nH]c2c1 ZINC000517362642 853712577 /nfs/dbraw/zinc/71/25/77/853712577.db2.gz PKUQKFNMBHBEFO-UHFFFAOYSA-N 0 1 379.351 3.868 20 5 GHBDMN C[C@@H](N[C@@H](C)c1ccc(OC(F)F)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000044802665 853846606 /nfs/dbraw/zinc/84/66/06/853846606.db2.gz DKFMYOTVSXRUIP-NWDGAFQWSA-N 0 1 379.363 3.874 20 5 GHBDMN Cc1cc(N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000571407709 853871141 /nfs/dbraw/zinc/87/11/41/853871141.db2.gz JYBHOMPAEANAOT-INIZCTEOSA-N 0 1 383.448 3.702 20 5 GHBDMN C[C@H]1CC(=O)NCCN1Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000589205727 854749143 /nfs/dbraw/zinc/74/91/43/854749143.db2.gz GXMRXWKMOOYERB-ZDUSSCGKSA-N 0 1 389.839 3.751 20 5 GHBDMN CCCc1[nH]nc(C(=O)Nc2nc(Sc3ccccc3)ns2)c1[N+](=O)[O-] ZINC000159402318 862635756 /nfs/dbraw/zinc/63/57/56/862635756.db2.gz USMKASQTTDMSBG-UHFFFAOYSA-N 0 1 390.450 3.525 20 5 GHBDMN CN(Cc1cccc(C(F)(F)F)c1)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000057097594 855229934 /nfs/dbraw/zinc/22/99/34/855229934.db2.gz LNHHLPBGIUGOJG-UHFFFAOYSA-N 0 1 378.310 3.762 20 5 GHBDMN Cc1nc(C(C)C)sc1[C@H](C)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000273425288 855378554 /nfs/dbraw/zinc/37/85/54/855378554.db2.gz KDJNTHGBDYQLJI-LBPRGKRZSA-N 0 1 397.522 3.608 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1CNCCS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000542702613 855489052 /nfs/dbraw/zinc/48/90/52/855489052.db2.gz KVQXIFYOTBQRFT-UHFFFAOYSA-N 0 1 390.505 3.764 20 5 GHBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@H](c2ccccn2)C1 ZINC000590600770 855505234 /nfs/dbraw/zinc/50/52/34/855505234.db2.gz MNLWRRUDJPLVRR-HOCLYGCPSA-N 0 1 379.420 3.980 20 5 GHBDMN CCc1[nH]n(Cc2ccccc2C)c(=O)c1CCNc1cccnc1[N+](=O)[O-] ZINC000590715390 855558568 /nfs/dbraw/zinc/55/85/68/855558568.db2.gz HGIQFMLMWWXLDM-INIZCTEOSA-N 0 1 381.436 3.525 20 5 GHBDMN O=C(CN1CCC[C@@H]1C1CC1)Nc1cc(N2CCC[C@@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000591013124 855721564 /nfs/dbraw/zinc/72/15/64/855721564.db2.gz WKTZOJGRAOUNPH-WOJBJXKFSA-N 0 1 398.507 3.787 20 5 GHBDMN O=C(CN1CC[C@@H]2CCC[C@@H]21)Nc1cc(N2CC[C@@H]3CCC[C@H]32)ccc1[N+](=O)[O-] ZINC000591029756 855726271 /nfs/dbraw/zinc/72/62/71/855726271.db2.gz KLTBOYYQXYVOGJ-CPLUKWAASA-N 0 1 398.507 3.787 20 5 GHBDMN CN(C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)c1cccc(F)c1 ZINC000520616077 855808117 /nfs/dbraw/zinc/80/81/17/855808117.db2.gz LSKPLTYSBWULDF-INIZCTEOSA-N 0 1 399.344 3.785 20 5 GHBDMN CN1CCN(c2ccc(NC(=O)c3cc4ccccc4c4cccnc34)cn2)CC1 ZINC000045878118 856138010 /nfs/dbraw/zinc/13/80/10/856138010.db2.gz FAEPFORFMHPPGP-UHFFFAOYSA-N 0 1 397.482 3.787 20 5 GHBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN(Cc1ccccc1)[C@@H](CO)C1CCC1 ZINC000592139499 856688067 /nfs/dbraw/zinc/68/80/67/856688067.db2.gz HCFDMUVAVZUABT-FQEVSTJZSA-N 0 1 397.475 3.505 20 5 GHBDMN O=C(NCCn1ccc2cc(Cl)ccc21)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001128800016 856739572 /nfs/dbraw/zinc/73/95/72/856739572.db2.gz IBIYDPNQOKRSOL-UHFFFAOYSA-N 0 1 383.795 3.509 20 5 GHBDMN COc1ccc([C@@H]2CCN([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)cc1 ZINC000249876608 856746021 /nfs/dbraw/zinc/74/60/21/856746021.db2.gz MBGAXEWOYCFXKP-DOTOQJQBSA-N 0 1 383.448 3.728 20 5 GHBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN(C)C[C@@H]2CCC[C@@H]2O)cc1OC ZINC000542915786 856784087 /nfs/dbraw/zinc/78/40/87/856784087.db2.gz OOOKLXCCYBRIBM-MPGHIAIKSA-N 0 1 380.485 3.621 20 5 GHBDMN CN(C)Cc1cc(CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1F ZINC000173485029 856954511 /nfs/dbraw/zinc/95/45/11/856954511.db2.gz WNZORAICCWEZET-UHFFFAOYSA-N 0 1 399.344 3.744 20 5 GHBDMN CCC(CC)c1cc(CNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])on1 ZINC000173492105 856954554 /nfs/dbraw/zinc/95/45/54/856954554.db2.gz GSCPCJTUHZSAKG-UHFFFAOYSA-N 0 1 387.845 3.618 20 5 GHBDMN CC(C)c1nnc(-c2ccccc2NC(=O)CN(C)c2ccccc2[N+](=O)[O-])[nH]1 ZINC000173741447 857120777 /nfs/dbraw/zinc/12/07/77/857120777.db2.gz DMZCXSNALDBIFM-UHFFFAOYSA-N 0 1 394.435 3.578 20 5 GHBDMN C[C@@H](N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc2ncsc2c1 ZINC000485844400 857140547 /nfs/dbraw/zinc/14/05/47/857140547.db2.gz KGEVGFWDZAOMPW-PXAZEXFGSA-N 0 1 382.445 3.661 20 5 GHBDMN CC[C@H](N[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1ccccc1F ZINC000593064737 857182235 /nfs/dbraw/zinc/18/22/35/857182235.db2.gz NVHLKGFJTGZOIE-LRDDRELGSA-N 0 1 375.400 3.810 20 5 GHBDMN C[C@H](Nc1ccc(-c2nc([C@@H]3CCCN3)no2)cc1[N+](=O)[O-])c1ccccn1 ZINC000592357276 857194794 /nfs/dbraw/zinc/19/47/94/857194794.db2.gz UYHZRQAHRJXQFE-LRDDRELGSA-N 0 1 380.408 3.637 20 5 GHBDMN Cc1ccc2nc([C@@H]3CCCN3C(=O)Cc3ccc(F)cc3[N+](=O)[O-])[nH]c2c1 ZINC000593039812 857194890 /nfs/dbraw/zinc/19/48/90/857194890.db2.gz FOOSFHYEHBLMAR-KRWDZBQOSA-N 0 1 382.395 3.825 20 5 GHBDMN O=C(N[C@@H]1CCN(C2CC2)C1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000485941609 857233833 /nfs/dbraw/zinc/23/38/33/857233833.db2.gz BKIGQESLTWYBSN-CQSZACIVSA-N 0 1 383.473 3.713 20 5 GHBDMN O=C(C[N@@H+](C1CC1)C1CCCC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000064807856 857249393 /nfs/dbraw/zinc/24/93/93/857249393.db2.gz WQOIXCMGFRDGLL-UHFFFAOYSA-N 0 1 382.258 3.703 20 5 GHBDMN O=C(Nc1nc(C2CC2)no1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC001129083785 857643010 /nfs/dbraw/zinc/64/30/10/857643010.db2.gz CRMOYIGBPIMXPO-UHFFFAOYSA-N 0 1 380.360 3.687 20 5 GHBDMN CC[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccccc1OC(F)F ZINC000027357422 857896564 /nfs/dbraw/zinc/89/65/64/857896564.db2.gz QOLDNNBOLSJUAH-CYBMUJFWSA-N 0 1 390.346 3.954 20 5 GHBDMN COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)c2cccnc12 ZINC000486611790 857897358 /nfs/dbraw/zinc/89/73/58/857897358.db2.gz MMTFVSKDJSDMRQ-UHFFFAOYSA-N 0 1 387.417 3.569 20 5 GHBDMN C[C@@H](Sc1nc(-c2ccccc2F)n[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000009837131 858005933 /nfs/dbraw/zinc/00/59/33/858005933.db2.gz NVHGIOWCVVQXJF-SNVBAGLBSA-N 0 1 387.396 3.638 20 5 GHBDMN COc1ccc(OCc2nc(CNCCc3cccc([N+](=O)[O-])c3)cs2)cc1 ZINC000157987404 858068383 /nfs/dbraw/zinc/06/83/83/858068383.db2.gz FOZWGPFEAUCMCI-UHFFFAOYSA-N 0 1 399.472 3.971 20 5 GHBDMN CC[C@H](N[C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccccc1OCC(=O)N(C)C ZINC000594502073 858194061 /nfs/dbraw/zinc/19/40/61/858194061.db2.gz COPZAOSYUKSWKR-RBUKOAKNSA-N 0 1 397.475 3.790 20 5 GHBDMN O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@H](Cc1ccccc1)[C@H](O)C(F)(F)F ZINC000594511327 858205366 /nfs/dbraw/zinc/20/53/66/858205366.db2.gz FXPAHBYRZCOGML-JZXOWHBKSA-N 0 1 380.366 3.706 20 5 GHBDMN Cn1cc(CNCc2cccc(OC3CC3)c2F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000594971239 858335352 /nfs/dbraw/zinc/33/53/52/858335352.db2.gz CQGPDNVQLWIATC-UHFFFAOYSA-N 0 1 396.422 3.965 20 5 GHBDMN C[C@@H]1CC[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CS1(=O)=O ZINC000594973817 858336058 /nfs/dbraw/zinc/33/60/58/858336058.db2.gz FKZLXXWBDAGEGG-NEPJUHHUSA-N 0 1 398.868 3.564 20 5 GHBDMN CS(=O)(=O)C1(CNCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCCCC1 ZINC000594975635 858337106 /nfs/dbraw/zinc/33/71/06/858337106.db2.gz ZGOQXJJVFNYFOO-UHFFFAOYSA-N 0 1 392.477 3.692 20 5 GHBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC[C@H]2c2nc3ccc(C)cc3[nH]2)c1 ZINC000593028590 858567560 /nfs/dbraw/zinc/56/75/60/858567560.db2.gz HXSDFIMNUVNHTJ-IBGZPJMESA-N 0 1 394.431 3.903 20 5 GHBDMN C[C@H](N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(OC(F)F)cc1 ZINC000067452191 858572982 /nfs/dbraw/zinc/57/29/82/858572982.db2.gz XAJUVOITPBTTPT-SJCJKPOMSA-N 0 1 391.374 3.652 20 5 GHBDMN COc1cccc([C@]2(C)CCN(Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C2)c1 ZINC000595765482 858663315 /nfs/dbraw/zinc/66/33/15/858663315.db2.gz LOENUDRVEXAJKG-OAQYLSRUSA-N 0 1 394.431 3.817 20 5 GHBDMN COc1ccc(C[C@@H](C)NCc2cc(O)ccc2Br)c([N+](=O)[O-])c1 ZINC001170317199 881346628 /nfs/dbraw/zinc/34/66/28/881346628.db2.gz BSIFEQXFHBAJNY-LLVKDONJSA-N 0 1 395.253 3.792 20 5 GHBDMN C[C@@H]1SCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000543202098 858852002 /nfs/dbraw/zinc/85/20/02/858852002.db2.gz ALWDDZFAANBHOJ-KNBMTAEXSA-N 0 1 388.489 3.513 20 5 GHBDMN COc1ccc(C[C@@H](C)N[C@H](c2ccccc2)c2cccnn2)c([N+](=O)[O-])c1 ZINC001170326300 881362425 /nfs/dbraw/zinc/36/24/25/881362425.db2.gz GQXVOEUXSQXPSS-QVKFZJNVSA-N 0 1 378.432 3.704 20 5 GHBDMN O=[N+]([O-])c1ccc(O)cc1CS(=O)(=O)Cc1csc(C2CCCCC2)n1 ZINC000593204457 858956241 /nfs/dbraw/zinc/95/62/41/858956241.db2.gz QIXAGISKGWCQDV-UHFFFAOYSA-N 0 1 396.490 3.920 20 5 GHBDMN COc1ccc(C[C@@H](C)N2CCC(NC(=O)OC(C)(C)C)CC2)c([N+](=O)[O-])c1 ZINC001170328702 881366323 /nfs/dbraw/zinc/36/63/23/881366323.db2.gz LNKSWORFSVSIIV-CQSZACIVSA-N 0 1 393.484 3.524 20 5 GHBDMN CCSc1ccccc1[C@@H](C)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000544569445 858999832 /nfs/dbraw/zinc/99/98/32/858999832.db2.gz DYOPBGVPBUEUEY-CQSZACIVSA-N 0 1 394.518 3.831 20 5 GHBDMN COc1cc(CN2CC[C@@H]3COC[C@@H]3C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000597231663 859365793 /nfs/dbraw/zinc/36/57/93/859365793.db2.gz PFTJSMJJCTXCFZ-MJGOQNOKSA-N 0 1 398.459 3.651 20 5 GHBDMN Cc1cc([N+](=O)[O-])cc(C(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)c1F ZINC000764567937 859504518 /nfs/dbraw/zinc/50/45/18/859504518.db2.gz ZEBWTJMYRAAAOU-MRXNPFEDSA-N 0 1 385.439 3.779 20 5 GHBDMN Cc1ccc([C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)N2CCCC2)o1 ZINC000117779085 859618197 /nfs/dbraw/zinc/61/81/97/859618197.db2.gz ACSBWCPRILHJIE-QGZVFWFLSA-N 0 1 391.855 3.645 20 5 GHBDMN Cn1ccnc1[C@@H](NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 ZINC000764810059 859625807 /nfs/dbraw/zinc/62/58/07/859625807.db2.gz MQVGFUJIAXXBKT-NRFANRHFSA-N 0 1 391.475 3.676 20 5 GHBDMN Cc1nn(CN2CC[C@H](COCc3ccccc3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000765035285 859741827 /nfs/dbraw/zinc/74/18/27/859741827.db2.gz FJCPGCISRXUUFW-SFHVURJKSA-N 0 1 380.448 3.749 20 5 GHBDMN CN1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123734639 860063969 /nfs/dbraw/zinc/06/39/69/860063969.db2.gz UXKNCQBPWWUPRP-KDOFPFPSSA-N 0 1 391.830 3.810 20 5 GHBDMN O=C(Nc1cc(F)cc(Cl)c1O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000474445066 860114605 /nfs/dbraw/zinc/11/46/05/860114605.db2.gz KGWJTALLJROFOW-UHFFFAOYSA-N 0 1 379.775 3.945 20 5 GHBDMN Cn1cc(CN[C@@H](c2ccc(Br)cc2)C2CCC2)c([N+](=O)[O-])n1 ZINC000602803411 860288916 /nfs/dbraw/zinc/28/89/16/860288916.db2.gz ZENGMDOMKXOCER-OAHLLOKOSA-N 0 1 379.258 3.722 20 5 GHBDMN COCCOc1cccc(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000130725504 860446053 /nfs/dbraw/zinc/44/60/53/860446053.db2.gz UMANIOHZIQSYIH-UHFFFAOYSA-N 0 1 386.448 3.663 20 5 GHBDMN COC(=O)c1ccnc(S[C@@H]2CCCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000598631437 860460755 /nfs/dbraw/zinc/46/07/55/860460755.db2.gz UCWZVOFGPLOWIO-OAHLLOKOSA-N 0 1 387.461 3.533 20 5 GHBDMN CN(Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000555315578 860461204 /nfs/dbraw/zinc/46/12/04/860461204.db2.gz LHEJVUFZZZBSJB-DLBZAZTESA-N 0 1 383.231 3.697 20 5 GHBDMN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1nc2ccc(F)cc2[nH]1 ZINC000124718398 860477124 /nfs/dbraw/zinc/47/71/24/860477124.db2.gz PIPPMBTXNCUOIR-UHFFFAOYSA-N 0 1 388.424 3.695 20 5 GHBDMN O=[N+]([O-])c1sc(CNC[C@H]2CC[C@@H](C(F)(F)F)O2)cc1Br ZINC000896281704 860604198 /nfs/dbraw/zinc/60/41/98/860604198.db2.gz YZMMUQKSIYXGNK-MUWHJKNJSA-N 0 1 389.193 3.618 20 5 GHBDMN COc1cc(CN[C@H]2CO[C@H](C3CC3)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000599007607 860723682 /nfs/dbraw/zinc/72/36/82/860723682.db2.gz QOIMLCGLNJMLJM-QUCCMNQESA-N 0 1 398.459 3.840 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2noc(CSc3nc(-c4ccccc4)n[nH]3)n2)c1 ZINC000031843439 881579619 /nfs/dbraw/zinc/57/96/19/881579619.db2.gz HFDWELMZFJSITC-UHFFFAOYSA-N 0 1 380.389 3.722 20 5 GHBDMN CC(C)CN(CCc1ccc(F)cc1)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000603574981 860829405 /nfs/dbraw/zinc/82/94/05/860829405.db2.gz IDDSDHBGNPIECT-UHFFFAOYSA-N 0 1 384.411 3.951 20 5 GHBDMN Cc1cc(N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302192524 860907609 /nfs/dbraw/zinc/90/76/09/860907609.db2.gz RKGPXBMVFUEGEW-HNNXBMFYSA-N 0 1 384.480 3.829 20 5 GHBDMN Cc1cc(N2CCC(C(=O)N[C@H](C)C(C)C)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302192525 860910213 /nfs/dbraw/zinc/91/02/13/860910213.db2.gz RKGPXBMVFUEGEW-OAHLLOKOSA-N 0 1 384.480 3.829 20 5 GHBDMN CCc1nc2c(s1)[C@H]([N@H+](C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])CCC2 ZINC000593740634 861151183 /nfs/dbraw/zinc/15/11/83/861151183.db2.gz IRMKYNJKILKQOK-OAHLLOKOSA-N 0 1 375.450 3.821 20 5 GHBDMN CCc1nc2c(s1)[C@H]([N@@H+](C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])CCC2 ZINC000593740634 861151187 /nfs/dbraw/zinc/15/11/87/861151187.db2.gz IRMKYNJKILKQOK-OAHLLOKOSA-N 0 1 375.450 3.821 20 5 GHBDMN C[C@@H](O)CCCN1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000475049503 863135396 /nfs/dbraw/zinc/13/53/96/863135396.db2.gz YZIUNEXVTQBCAO-MRXNPFEDSA-N 0 1 389.521 3.602 20 5 GHBDMN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCN(C)Cc1ccc(F)cc1 ZINC000160145721 863348545 /nfs/dbraw/zinc/34/85/45/863348545.db2.gz VGMZAJXMVDWERW-UHFFFAOYSA-N 0 1 391.468 3.708 20 5 GHBDMN C[C@H](c1nc(Cc2nnc(-c3ccccc3)[nH]2)no1)c1ccc([N+](=O)[O-])cc1F ZINC000546499626 863989259 /nfs/dbraw/zinc/98/92/59/863989259.db2.gz ZRAZWNUYQAJUSA-NSHDSACASA-N 0 1 394.366 3.645 20 5 GHBDMN C[C@H]1C[C@@H](c2ccc(F)cc2)CN1Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000172905126 864105103 /nfs/dbraw/zinc/10/51/03/864105103.db2.gz DCZQPHKYNICZLB-WMLDXEAASA-N 0 1 381.411 3.828 20 5 GHBDMN CCOC(=O)c1oc2c(c1C)[C@H](NCc1ccc(OC)c([N+](=O)[O-])c1)CCC2 ZINC000567258277 864180491 /nfs/dbraw/zinc/18/04/91/864180491.db2.gz BVPCRBLWYGQYBI-CQSZACIVSA-N 0 1 388.420 3.849 20 5 GHBDMN C[C@H](N[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1nccn1-c1ccccc1 ZINC000554374570 864233081 /nfs/dbraw/zinc/23/30/81/864233081.db2.gz YUEDISHQHYQFCB-SZMVWBNQSA-N 0 1 380.452 3.812 20 5 GHBDMN O=[N+]([O-])c1ccc(CN[C@H](CN2CCCCC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000792875721 881765940 /nfs/dbraw/zinc/76/59/40/881765940.db2.gz JCYCENCEBIUIPQ-LJQANCHMSA-N 0 1 384.436 3.820 20 5 GHBDMN Cc1cc(C2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCCCC3)CC2)n[nH]1 ZINC000272202870 881778901 /nfs/dbraw/zinc/77/89/01/881778901.db2.gz HMXOTPRCPOINIL-UHFFFAOYSA-N 0 1 397.479 3.636 20 5 GHBDMN COc1c(C(=O)Nc2ccc3nc([C@@H]4CCCO4)[nH]c3c2)cccc1[N+](=O)[O-] ZINC000475312185 864764387 /nfs/dbraw/zinc/76/43/87/864764387.db2.gz KMYCNOWHSKVOMB-INIZCTEOSA-N 0 1 382.376 3.584 20 5 GHBDMN CCN1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C[C@@H]1c1ncc[nH]1 ZINC000475349755 864826341 /nfs/dbraw/zinc/82/63/41/864826341.db2.gz IKMNZAMMJOBICQ-GOSISDBHSA-N 0 1 397.504 3.925 20 5 GHBDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000487472177 865272053 /nfs/dbraw/zinc/27/20/53/865272053.db2.gz VZZAWUAHJRKJFO-ZIAGYGMSSA-N 0 1 388.472 3.610 20 5 GHBDMN CCN(CC)[C@H](CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)c1ccco1 ZINC000185133481 865349161 /nfs/dbraw/zinc/34/91/61/865349161.db2.gz UUGNOVSTWRLHNT-SUMWQHHRSA-N 0 1 377.416 3.630 20 5 GHBDMN O=[N+]([O-])c1cccc([C@H](O)CN2CC(Cc3cccc(C(F)(F)F)c3)C2)c1 ZINC000792998860 881868750 /nfs/dbraw/zinc/86/87/50/881868750.db2.gz IGCWSBQWROYEEZ-GOSISDBHSA-N 0 1 380.366 3.822 20 5 GHBDMN CCOc1cc(CN(Cc2ccc(-n3cncn3)cc2)C2CC2)ccc1[N+](=O)[O-] ZINC000555065374 865426535 /nfs/dbraw/zinc/42/65/35/865426535.db2.gz PAFRVFOOMOHUOH-UHFFFAOYSA-N 0 1 393.447 3.739 20 5 GHBDMN CN(c1ccccc1)c1ccc(CNC[C@@](C)(O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000534084887 866077739 /nfs/dbraw/zinc/07/77/39/866077739.db2.gz YEZHXWBMOQCKLF-QGZVFWFLSA-N 0 1 383.370 3.766 20 5 GHBDMN C[C@H]1CN(Cc2cccc(Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C[C@H](C)O1 ZINC000737413042 866199292 /nfs/dbraw/zinc/19/92/92/866199292.db2.gz YGGZBFHNNQPCDX-KBPBESRZSA-N 0 1 386.408 3.856 20 5 GHBDMN COc1cc(Cc2noc(-c3cc(-c4ccccc4)n[nH]3)n2)ccc1[N+](=O)[O-] ZINC000545784162 866221747 /nfs/dbraw/zinc/22/17/47/866221747.db2.gz CLWQXLDVWGGVMQ-UHFFFAOYSA-N 0 1 377.360 3.634 20 5 GHBDMN CN1CC[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[C@H]1c1ccccc1 ZINC000534754724 867383172 /nfs/dbraw/zinc/38/31/72/867383172.db2.gz QXTGLGZOAXBTRW-QFBILLFUSA-N 0 1 381.457 3.985 20 5 GHBDMN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1F ZINC000609068313 867459200 /nfs/dbraw/zinc/45/92/00/867459200.db2.gz GTYRQHRWPVQHIW-UHFFFAOYSA-N 0 1 378.303 3.862 20 5 GHBDMN O=C(C=Cc1ccc([N+](=O)[O-])cc1)Nc1nc2ccc(Br)cc2[nH]1 ZINC000742891072 867655302 /nfs/dbraw/zinc/65/53/02/867655302.db2.gz HTDGUQBHRSYGFY-FPYGCLRLSA-N 0 1 387.193 3.886 20 5 GHBDMN O=[N+]([O-])c1ccccc1CCS(=O)(=O)Nc1ccc(Cl)c2cccnc12 ZINC000535033005 868003110 /nfs/dbraw/zinc/00/31/10/868003110.db2.gz STFPODDTLVZPSZ-UHFFFAOYSA-N 0 1 391.836 3.781 20 5 GHBDMN COc1cc(Cc2noc([C@@H](C)N3[C@H](C)CC[C@@H]3C)n2)c([N+](=O)[O-])c(OC)c1 ZINC000445824523 869037104 /nfs/dbraw/zinc/03/71/04/869037104.db2.gz MYBAPPRWTORPOM-FRRDWIJNSA-N 0 1 390.440 3.520 20 5 GHBDMN Cc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)cc2n[nH]cc21 ZINC000766330243 869507738 /nfs/dbraw/zinc/50/77/38/869507738.db2.gz UTVQWMPFKDUBTO-UHFFFAOYSA-N 0 1 380.813 3.542 20 5 GHBDMN Cc1cc(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(OC(F)F)cc1C ZINC000539836666 869876456 /nfs/dbraw/zinc/87/64/56/869876456.db2.gz WUHMPGXXMFBELX-HNNXBMFYSA-N 0 1 392.406 3.894 20 5 GHBDMN C[C@@H]1C[C@H]1N1C[C@H](NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1=O ZINC000462745283 870012476 /nfs/dbraw/zinc/01/24/76/870012476.db2.gz KBSKGHSIWPIQSY-MZMPZRCHSA-N 0 1 399.422 3.625 20 5 GHBDMN O=C(CCN1CCc2ccc([N+](=O)[O-])cc2C1)N[C@@H]1CCCc2ccccc21 ZINC000446713921 870220029 /nfs/dbraw/zinc/22/00/29/870220029.db2.gz BVZXYRIHCDNJNN-OAQYLSRUSA-N 0 1 379.460 3.537 20 5 GHBDMN COc1ccc(CNC(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)cc1[N+](=O)[O-] ZINC000540083074 870414684 /nfs/dbraw/zinc/41/46/84/870414684.db2.gz JUJQVYQVCFFKDF-UHFFFAOYSA-N 0 1 391.334 3.739 20 5 GHBDMN CCOc1ccc([C@H](C)N[C@H]2CC(=O)N(c3ccccc3F)C2)cc1[N+](=O)[O-] ZINC000462943962 870474678 /nfs/dbraw/zinc/47/46/78/870474678.db2.gz OHTPFECXDPKJPY-ZFWWWQNUSA-N 0 1 387.411 3.589 20 5 GHBDMN O=C(Nc1ccccc1)[C@@H](Cc1ccccc1)NCc1cccc([N+](=O)[O-])c1 ZINC000109350115 882465908 /nfs/dbraw/zinc/46/59/08/882465908.db2.gz RBCLHEMYMGOVPM-OAQYLSRUSA-N 0 1 375.428 3.934 20 5 GHBDMN CC(C)Oc1cccc([C@@H](C)N[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000540327658 871029457 /nfs/dbraw/zinc/02/94/57/871029457.db2.gz SGFQULMGAPWZKX-FOIQADDNSA-N 0 1 383.448 3.838 20 5 GHBDMN C[C@H](N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccccc1OC(F)F ZINC000540344656 871075206 /nfs/dbraw/zinc/07/52/06/871075206.db2.gz DAEJSODNOVYZKQ-LRDDRELGSA-N 0 1 391.374 3.652 20 5 GHBDMN CC(C)(C)OC(=O)N1CCN([C@H]2CC[C@H](C[N+](=O)[O-])C2)[C@@H](c2ccccc2)C1 ZINC001169046682 871127868 /nfs/dbraw/zinc/12/78/68/871127868.db2.gz LSYFHEGKQNSIAQ-YTQUADARSA-N 0 1 389.496 3.726 20 5 GHBDMN CCSc1ccc([C@H](C)NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cc1 ZINC000540403132 871186493 /nfs/dbraw/zinc/18/64/93/871186493.db2.gz MTSHPEMQAMHVRZ-AWEZNQCLSA-N 0 1 385.489 3.947 20 5 GHBDMN CCSc1ccc([C@H](C)NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000540405040 871191932 /nfs/dbraw/zinc/19/19/32/871191932.db2.gz WDEFTWRGSDNTAS-AWEZNQCLSA-N 0 1 385.489 3.947 20 5 GHBDMN O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000525670074 871208204 /nfs/dbraw/zinc/20/82/04/871208204.db2.gz ZIQLXNRKSFQHIU-IBGZPJMESA-N 0 1 387.867 3.744 20 5 GHBDMN Cc1ccc([C@H](C)NCC(=O)Nc2ccc(OC(F)F)cc2)cc1[N+](=O)[O-] ZINC000181833395 871536624 /nfs/dbraw/zinc/53/66/24/871536624.db2.gz JMFMZVKPVKPSMV-LBPRGKRZSA-N 0 1 379.363 3.794 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NC1(c2ccccc2)CC1 ZINC000462162432 871716491 /nfs/dbraw/zinc/71/64/91/871716491.db2.gz GJHMAFPKRBMSIM-UHFFFAOYSA-N 0 1 387.244 3.869 20 5 GHBDMN CN(C)[C@@H]1CCOc2c(NC(=O)c3c(Cl)cccc3[N+](=O)[O-])cccc21 ZINC000447723969 872212494 /nfs/dbraw/zinc/21/24/94/872212494.db2.gz SIAFXIORKWINMP-CQSZACIVSA-N 0 1 375.812 3.886 20 5 GHBDMN O=c1nc(Cc2ccc([N+](=O)[O-])cn2)[nH]c2cc(-c3ccc(F)cc3)sc21 ZINC000540930103 872521303 /nfs/dbraw/zinc/52/13/03/872521303.db2.gz YXJASAFZRQGPCS-UHFFFAOYSA-N 0 1 382.376 3.685 20 5 GHBDMN CN(C)Cc1ccc(NCc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1Cl ZINC000619433645 872646941 /nfs/dbraw/zinc/64/69/41/872646941.db2.gz GVYTVDYDERPHOF-UHFFFAOYSA-N 0 1 377.828 3.693 20 5 GHBDMN C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000619724619 872922001 /nfs/dbraw/zinc/92/20/01/872922001.db2.gz AHTPZRIRSCMUCW-QGZVFWFLSA-N 0 1 385.464 3.515 20 5 GHBDMN C[C@H](c1ccccc1)N(C)C(=O)CN(C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000619724619 872922011 /nfs/dbraw/zinc/92/20/11/872922011.db2.gz AHTPZRIRSCMUCW-QGZVFWFLSA-N 0 1 385.464 3.515 20 5 GHBDMN Cc1ccc(Oc2ccc(NS(=O)(=O)c3csc([N+](=O)[O-])c3)cc2)nc1 ZINC000768883205 873645969 /nfs/dbraw/zinc/64/59/69/873645969.db2.gz XJJLKSBKJCBVRG-UHFFFAOYSA-N 0 1 391.430 3.953 20 5 GHBDMN O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc(C3SCCS3)c2)cs1 ZINC000768861200 873663821 /nfs/dbraw/zinc/66/38/21/873663821.db2.gz JQHMUCMKYOAYQN-UHFFFAOYSA-N 0 1 388.517 3.936 20 5 GHBDMN C[C@](CO)(Cc1ccccc1F)NCc1cccc([N+](=O)[O-])c1Br ZINC001198217771 874277723 /nfs/dbraw/zinc/27/77/23/874277723.db2.gz ASYJUQUOHKCAER-QGZVFWFLSA-N 0 1 397.244 3.580 20 5 GHBDMN COc1ccc(NC(=O)[C@H](C)N2CCC[C@H](C3CCCC3)C2)c([N+](=O)[O-])c1 ZINC001198706561 874598459 /nfs/dbraw/zinc/59/84/59/874598459.db2.gz QGJNALROBQCUSQ-HOCLYGCPSA-N 0 1 375.469 3.833 20 5 GHBDMN COc1ccc2c(c1)C[C@H](C)N(C(=O)c1[nH]nc3ccc([N+](=O)[O-])cc31)[C@H]2C ZINC000541953195 874627051 /nfs/dbraw/zinc/62/70/51/874627051.db2.gz BYNLLIVNQBQOEH-RYUDHWBXSA-N 0 1 380.404 3.628 20 5 GHBDMN COc1ccc(NC(=O)NC[C@@H](c2ccco2)N2CCCCC2)cc1[N+](=O)[O-] ZINC000542032925 874798174 /nfs/dbraw/zinc/79/81/74/874798174.db2.gz NZDCVLPNASZJFG-INIZCTEOSA-N 0 1 388.424 3.545 20 5 GHBDMN Cc1ccc(CCN(CC(F)(F)F)C(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1 ZINC000476690926 882879867 /nfs/dbraw/zinc/87/98/67/882879867.db2.gz OPDMPVWDHZZLTJ-UHFFFAOYSA-N 0 1 382.338 3.856 20 5 GHBDMN COc1cc(CN2C[C@H](C3CC3)[C@@H]2C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000449545453 875010439 /nfs/dbraw/zinc/01/04/39/875010439.db2.gz YTGREWKOIFHKCM-KUHUBIRLSA-N 0 1 382.407 3.868 20 5 GHBDMN CCOC(=O)[C@@H]1CCC[C@@H]1NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000449580237 875077163 /nfs/dbraw/zinc/07/71/63/875077163.db2.gz OFIYPFATNRAUGI-CVEARBPZSA-N 0 1 375.450 3.540 20 5 GHBDMN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@H]1c1ccc(Cl)cc1 ZINC000542209276 875186142 /nfs/dbraw/zinc/18/61/42/875186142.db2.gz AHDCRVFLGYRECW-IRXDYDNUSA-N 0 1 376.840 3.825 20 5 GHBDMN O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1cc(F)cc(Cl)c1O ZINC000771504773 875301101 /nfs/dbraw/zinc/30/11/01/875301101.db2.gz MPTNSBKLAUJFQE-UHFFFAOYSA-N 0 1 383.719 3.572 20 5 GHBDMN COc1cc(CNCc2ccc(C)c([N+](=O)[O-])c2)cc(Br)c1O ZINC000776165408 875679272 /nfs/dbraw/zinc/67/92/72/875679272.db2.gz QGVRYLJADJOQNS-UHFFFAOYSA-N 0 1 381.226 3.670 20 5 GHBDMN COc1cc(S(=O)(=O)Nc2cc(Cl)c(F)c(Cl)c2)ccc1[N+](=O)[O-] ZINC000491600123 875834859 /nfs/dbraw/zinc/83/48/59/875834859.db2.gz YYGKJZLFAPYOSI-UHFFFAOYSA-N 0 1 395.195 3.850 20 5 GHBDMN COc1ccc(NC(=O)CCSc2nc3ccc(C)cc3[nH]2)c([N+](=O)[O-])c1 ZINC000026358988 875989058 /nfs/dbraw/zinc/98/90/58/875989058.db2.gz XJVREQLKBIRPIG-UHFFFAOYSA-N 0 1 386.433 3.909 20 5 GHBDMN CCN(C[C@H]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)C1)CC(F)(F)F ZINC000176411459 876319123 /nfs/dbraw/zinc/31/91/23/876319123.db2.gz IKPGNPPOOZRVEW-GFCCVEGCSA-N 0 1 379.810 3.954 20 5 GHBDMN CCCN(C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000786136509 876502302 /nfs/dbraw/zinc/50/23/02/876502302.db2.gz SHTZTIJOZLDWOP-JXFKEZNVSA-N 0 1 385.464 3.676 20 5 GHBDMN CCOc1cc(CN2CCc3cc(OC)c(OC)cc3CC2)ccc1[N+](=O)[O-] ZINC000492481144 876913684 /nfs/dbraw/zinc/91/36/84/876913684.db2.gz CTBVOBKIWMOZBU-UHFFFAOYSA-N 0 1 386.448 3.612 20 5 GHBDMN C[C@H](Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)c1nc2ccc(Cl)cc2[nH]1 ZINC000786782397 876934888 /nfs/dbraw/zinc/93/48/88/876934888.db2.gz SIDFZVHVKOBVMN-VIFPVBQESA-N 0 1 394.840 3.701 20 5 GHBDMN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000443947104 876971377 /nfs/dbraw/zinc/97/13/77/876971377.db2.gz NTFYJWWRFUYILJ-GOSISDBHSA-N 0 1 382.464 3.998 20 5 GHBDMN O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3cnc(-c4ccsc4)s3)C2)nc1 ZINC000093534436 912322211 /nfs/dbraw/zinc/32/22/11/912322211.db2.gz OIPPKUXOTJTPPL-ZDUSSCGKSA-N 0 1 387.490 3.861 20 5 GHBDMN COc1ccc(NC(=O)[C@@H](C)N[C@@H](C)c2ccc3c(c2)CCCO3)c([N+](=O)[O-])c1 ZINC000852783137 878599802 /nfs/dbraw/zinc/59/98/02/878599802.db2.gz WYBHVDZPAORUPK-UONOGXRCSA-N 0 1 399.447 3.606 20 5 GHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(OC3CCCC3)c(F)c2)cc1 ZINC000460828477 878676114 /nfs/dbraw/zinc/67/61/14/878676114.db2.gz FFAGPBMRADGOQY-UHFFFAOYSA-N 0 1 380.397 3.856 20 5 GHBDMN C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1)c1nnc[nH]1 ZINC000853226350 878907583 /nfs/dbraw/zinc/90/75/83/878907583.db2.gz VUDXQFHXMPUVDG-NSHDSACASA-N 0 1 376.438 3.913 20 5 GHBDMN O=[N+]([O-])c1cc(C(F)F)ccc1N1CCN(CCCOCC(F)(F)F)CC1 ZINC000853231208 878912521 /nfs/dbraw/zinc/91/25/21/878912521.db2.gz JTPWHNJVXCUEJU-UHFFFAOYSA-N 0 1 397.344 3.623 20 5 GHBDMN CN(C)[C@H](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21)c1ccc(Cl)cc1 ZINC000531067439 879061742 /nfs/dbraw/zinc/06/17/42/879061742.db2.gz BFJPHWRNQFQMLJ-GOSISDBHSA-N 0 1 386.839 3.762 20 5 GHBDMN C[C@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccccc1C(F)(F)F ZINC000538257038 879131566 /nfs/dbraw/zinc/13/15/66/879131566.db2.gz HEFMYGHLMJCUAV-LBPRGKRZSA-N 0 1 381.354 3.927 20 5 GHBDMN C[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(-n2cccn2)cc1 ZINC000180816625 879374008 /nfs/dbraw/zinc/37/40/08/879374008.db2.gz FSIMBUMPYPCFJI-CYBMUJFWSA-N 0 1 399.838 3.723 20 5 GHBDMN CC(C)CCSc1ccc(C(=O)NCc2n[nH]c(C3CC3)n2)cc1[N+](=O)[O-] ZINC000452422756 879443247 /nfs/dbraw/zinc/44/32/47/879443247.db2.gz IFJWFUVUONBYDT-UHFFFAOYSA-N 0 1 389.481 3.659 20 5 GHBDMN C[C@]1(C(N)=O)CC[N@@H+](Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000475676572 879451861 /nfs/dbraw/zinc/45/18/61/879451861.db2.gz KFISCTQCCAWYOU-IBGZPJMESA-N 0 1 389.839 3.738 20 5 GHBDMN CN(C)[C@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000531306495 879568473 /nfs/dbraw/zinc/56/84/73/879568473.db2.gz OEOANTHVEBLBSH-QGZVFWFLSA-N 0 1 393.896 3.759 20 5 GHBDMN Cc1nn(C)c2cc(NS(=O)(=O)c3cc(Cl)c(C)c([N+](=O)[O-])c3)ccc12 ZINC000461341672 879642957 /nfs/dbraw/zinc/64/29/57/879642957.db2.gz GJBPVUUQVHVAMV-UHFFFAOYSA-N 0 1 394.840 3.553 20 5 GHBDMN COc1ccc([C@@H](O)CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000113318533 880503130 /nfs/dbraw/zinc/50/31/30/880503130.db2.gz SRXGJUYFYLXUDJ-SFHVURJKSA-N 0 1 385.445 3.550 20 5 GHBDMN C[C@@]12CCCN1C[C@@H](c1noc(-c3cc(C(F)(F)F)ccc3[N+](=O)[O-])n1)OC2 ZINC000453174824 880541181 /nfs/dbraw/zinc/54/11/81/880541181.db2.gz AVGOXDOEYRZCCO-BBRMVZONSA-N 0 1 398.341 3.589 20 5 GHBDMN CN(c1ccccc1)c1ccc(CN[C@H]2C[C@H]3CCCCN3C2=O)cc1[N+](=O)[O-] ZINC000453623283 881174340 /nfs/dbraw/zinc/17/43/40/881174340.db2.gz JKDXLVLQVZMCKT-MOPGFXCFSA-N 0 1 394.475 3.606 20 5 GHBDMN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000119999370 881258417 /nfs/dbraw/zinc/25/84/17/881258417.db2.gz SNUMVOYFKYESHY-UHFFFAOYSA-N 0 1 382.464 3.951 20 5 GHBDMN O=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1cccc([N+](=O)[O-])c1Cl ZINC000858629058 883244056 /nfs/dbraw/zinc/24/40/56/883244056.db2.gz VQGUKBVNLLJXAX-UHFFFAOYSA-N 0 1 391.830 3.782 20 5 GHBDMN C[C@@H](c1ccccc1)[C@@H](CO)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000609708120 883566065 /nfs/dbraw/zinc/56/60/65/883566065.db2.gz HIJKGYBMCQWJIE-IFXJQAMLSA-N 0 1 383.473 3.973 20 5 GHBDMN C[C@@H]1CN(C)[C@H](C)[C@@H](C)N1C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC001130368817 884096897 /nfs/dbraw/zinc/09/68/97/884096897.db2.gz AVHCUBVGXNYIOA-BZUAXINKSA-N 0 1 382.464 3.892 20 5 GHBDMN NC(=O)[C@H]1CCCN1Cc1cccc(N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000193101137 884212426 /nfs/dbraw/zinc/21/24/26/884212426.db2.gz MUJRIJVEBTZQBK-LEWJYISDSA-N 0 1 394.475 3.534 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)NCc2ccc(Cl)s2)c1 ZINC000795785524 912817734 /nfs/dbraw/zinc/81/77/34/912817734.db2.gz DBMKBFPGGGFERQ-UHFFFAOYSA-N 0 1 385.225 3.581 20 5 GHBDMN O=C(CCC(F)(F)F)N1CCC[C@@H](NCc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000808423205 886308975 /nfs/dbraw/zinc/30/89/75/886308975.db2.gz UQMRPEJYWXMVKP-CYBMUJFWSA-N 0 1 393.793 3.671 20 5 GHBDMN COc1cc(CNc2ccc(C(=O)NC3CCCC3)cc2)cc([N+](=O)[O-])c1O ZINC000195101415 886362225 /nfs/dbraw/zinc/36/22/25/886362225.db2.gz OQRKYPCIKDGURP-UHFFFAOYSA-N 0 1 385.420 3.594 20 5 GHBDMN CCOc1ccc(C(=O)NC[C@H](CC)N2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000032446526 886544791 /nfs/dbraw/zinc/54/47/91/886544791.db2.gz ILRBDAZPAWLHNH-IBGZPJMESA-N 0 1 397.475 3.560 20 5 GHBDMN O=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000536508821 886621365 /nfs/dbraw/zinc/62/13/65/886621365.db2.gz XQQFPKCITDEXNA-UHFFFAOYSA-N 0 1 396.422 3.610 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Br)c(F)c1 ZINC000316092929 887102571 /nfs/dbraw/zinc/10/25/71/887102571.db2.gz BMUQLESDJBWGDW-UHFFFAOYSA-N 0 1 389.202 3.606 20 5 GHBDMN COCc1ccc(CNCc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])cc1 ZINC000272415256 887411742 /nfs/dbraw/zinc/41/17/42/887411742.db2.gz LGUUYKYZAZECNZ-UHFFFAOYSA-N 0 1 396.390 3.684 20 5 GHBDMN O=C(NCc1ccccc1COCc1ccccc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000532679275 887653863 /nfs/dbraw/zinc/65/38/63/887653863.db2.gz DRFNJZGVQRUSHG-UHFFFAOYSA-N 0 1 392.411 3.947 20 5 GHBDMN O=[N+]([O-])c1cc(S(=O)(=O)NC2(C(F)F)CCCC2)c(Cl)cc1Cl ZINC000809846287 887862537 /nfs/dbraw/zinc/86/25/37/887862537.db2.gz FRWVUTMLUYCAGK-UHFFFAOYSA-N 0 1 389.207 3.758 20 5 GHBDMN O=[N+]([O-])c1cccc([C@H](NC[C@H]2CC3(CO2)CCOCC3)c2ccccc2)c1 ZINC000866532220 888921146 /nfs/dbraw/zinc/92/11/46/888921146.db2.gz LMBYOMJXNYVMJK-NHCUHLMSSA-N 0 1 382.460 3.860 20 5 GHBDMN O=C(CN(C1CC1)[C@@H]1CCc2ccccc21)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000533031278 889576601 /nfs/dbraw/zinc/57/66/01/889576601.db2.gz WPNAMAXOENWBLO-OAQYLSRUSA-N 0 1 377.444 3.636 20 5 GHBDMN Cc1cccc2nc(CNC(=O)N3CCC[C@@H](c4ccc([N+](=O)[O-])cc4)C3)[nH]c21 ZINC000454737239 889651881 /nfs/dbraw/zinc/65/18/81/889651881.db2.gz CGBKBUOZSFXNSI-MRXNPFEDSA-N 0 1 393.447 3.869 20 5 GHBDMN CCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000811721972 889921014 /nfs/dbraw/zinc/92/10/14/889921014.db2.gz DMFZAZBQSJDLIA-UHFFFAOYSA-N 0 1 399.812 3.828 20 5 GHBDMN O=C(NC[C@@H]1CCCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1)C(F)(F)F ZINC000811855874 890051409 /nfs/dbraw/zinc/05/14/09/890051409.db2.gz GZTHZGFLDHHIBC-VIFPVBQESA-N 0 1 399.291 3.509 20 5 GHBDMN CC[C@H](c1ccccc1)N(CC)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000533256374 890110102 /nfs/dbraw/zinc/11/01/02/890110102.db2.gz OFLFWLCPMQYIIR-MRXNPFEDSA-N 0 1 385.420 3.735 20 5 GHBDMN CCC[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000533292724 890208370 /nfs/dbraw/zinc/20/83/70/890208370.db2.gz DNZWDWUMXISYJQ-RBUKOAKNSA-N 0 1 389.496 3.644 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1cccc(C(=O)NC[C@@H]2CCCO2)c1 ZINC000154233929 890605034 /nfs/dbraw/zinc/60/50/34/890605034.db2.gz YBPRFFRQWPMLQY-JXFKEZNVSA-N 0 1 397.475 3.663 20 5 GHBDMN CCN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812847846 891037514 /nfs/dbraw/zinc/03/75/14/891037514.db2.gz FRBPHLJESWGBFG-IFXJQAMLSA-N 0 1 382.420 3.589 20 5 GHBDMN COc1ccc([C@@H](O)C2CCN(Cc3ccc([N+](=O)[O-])cc3OC)CC2)cc1 ZINC000812860663 891073175 /nfs/dbraw/zinc/07/31/75/891073175.db2.gz TYROQVRTZNOSKD-OAQYLSRUSA-N 0 1 386.448 3.558 20 5 GHBDMN CSc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H](C)Cn1ncc2ccccc2c1=O ZINC000872053706 891132166 /nfs/dbraw/zinc/13/21/66/891132166.db2.gz ZIHWFSDODRSDIA-KGLIPLIRSA-N 0 1 398.488 3.766 20 5 GHBDMN C[C@@H](NC[C@@H](C)c1ccc(S(C)(=O)=O)cc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872091432 891150506 /nfs/dbraw/zinc/15/05/06/891150506.db2.gz HNUGFMQOTIMBIM-CHWSQXEVSA-N 0 1 380.441 3.592 20 5 GHBDMN Cc1[nH]ncc1C1CCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000813581859 891764711 /nfs/dbraw/zinc/76/47/11/891764711.db2.gz TWBKMHKSRKDRAM-UHFFFAOYSA-N 0 1 383.235 3.953 20 5 GHBDMN O=C(c1ccc(Nc2ccncc2)cc1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000497580996 891929452 /nfs/dbraw/zinc/92/94/52/891929452.db2.gz RBFLGBQLXBTNFD-UHFFFAOYSA-N 0 1 388.427 3.960 20 5 GHBDMN O=C(c1cc2ccccc2c2cccnc12)N1CCC[C@H](N2CCOCC2)CC1 ZINC000670393983 892225261 /nfs/dbraw/zinc/22/52/61/892225261.db2.gz PCZXBFMNNPULSX-IBGZPJMESA-N 0 1 389.499 3.715 20 5 GHBDMN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000192455590 892465709 /nfs/dbraw/zinc/46/57/09/892465709.db2.gz VOFCVFOBQHWRBW-INIZCTEOSA-N 0 1 391.431 3.708 20 5 GHBDMN COc1ccccc1[C@@H]1CCCCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000609265780 892511572 /nfs/dbraw/zinc/51/15/72/892511572.db2.gz XKKUAHMCXIRKOV-KRWDZBQOSA-N 0 1 380.404 3.847 20 5 GHBDMN COc1ccc([C@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C2CCC2)cc1 ZINC001134700206 893227424 /nfs/dbraw/zinc/22/74/24/893227424.db2.gz YCTCXLMOURUBHX-GOSISDBHSA-N 0 1 380.404 3.751 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](c1ccccc1)C1(CO)CCCC1 ZINC000459525972 893731783 /nfs/dbraw/zinc/73/17/83/893731783.db2.gz IVGOXHJIWKAOKM-OAQYLSRUSA-N 0 1 397.475 3.725 20 5 GHBDMN C[C@H]1CN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[C@H](C(F)(F)F)O1 ZINC000877822772 893833650 /nfs/dbraw/zinc/83/36/50/893833650.db2.gz ILNRSGCEKRWBON-BLLLJJGKSA-N 0 1 398.385 3.537 20 5 GHBDMN Cc1ccc(CN[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c(OC[C@H]2CCCO2)c1 ZINC000815588824 894029983 /nfs/dbraw/zinc/02/99/83/894029983.db2.gz ZZXXQGDYGZNZLK-CRAIPNDOSA-N 0 1 385.464 3.894 20 5 GHBDMN CC(C)CN(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C[C@@H](O)c1ccc(F)cc1 ZINC000774882903 913882201 /nfs/dbraw/zinc/88/22/01/913882201.db2.gz FDVUTFZRMVDECH-LJQANCHMSA-N 0 1 391.399 3.834 20 5 GHBDMN O=C(N[C@H]1CCCOc2cc(Cl)ccc21)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000537271754 894683379 /nfs/dbraw/zinc/68/33/79/894683379.db2.gz ADOVWMUTBZWBBZ-AWEZNQCLSA-N 0 1 386.795 3.768 20 5 GHBDMN CN(Cc1nc2ccccc2s1)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC001135812496 895310640 /nfs/dbraw/zinc/31/06/40/895310640.db2.gz PHZAMPZHHJNCFU-UHFFFAOYSA-N 0 1 393.428 3.867 20 5 GHBDMN O=C([O-])c1ccc(OCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c(Cl)c1 ZINC000569492010 898709588 /nfs/dbraw/zinc/70/95/88/898709588.db2.gz HEVGRUBXSSQGSR-UHFFFAOYSA-N 0 1 390.823 3.990 20 5 GHBDMN Cc1[nH]nc(C(=O)N2CC[C@@H](C)[C@H]2c2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-] ZINC000331454557 898904736 /nfs/dbraw/zinc/90/47/36/898904736.db2.gz AECHXBCUFVNHGR-OTYXRUKQSA-N 0 1 382.342 3.868 20 5 GHBDMN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC(c3nc4c(s3)CCCC4)CC2)c1 ZINC000823461150 899037110 /nfs/dbraw/zinc/03/71/10/899037110.db2.gz FDWCLSQCCDMDJC-SFHVURJKSA-N 0 1 387.505 3.843 20 5 GHBDMN CN(C)C(=O)C[C@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])c2ccc(Cl)cc21 ZINC000570829873 899623574 /nfs/dbraw/zinc/62/35/74/899623574.db2.gz RIYDVLGUEUCPBA-LBPRGKRZSA-N 0 1 389.839 3.536 20 5 GHBDMN CCc1[nH]nc(C(=O)N2CCC(F)(c3ccc(Cl)cc3)CC2)c1[N+](=O)[O-] ZINC000332418939 899654653 /nfs/dbraw/zinc/65/46/53/899654653.db2.gz PCYUKQDDKMQKIO-UHFFFAOYSA-N 0 1 380.807 3.635 20 5 GHBDMN C[C@H](c1ccc(Br)cc1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000332446849 899676230 /nfs/dbraw/zinc/67/62/30/899676230.db2.gz KOUQOLNMBPZEOL-GFCCVEGCSA-N 0 1 379.258 3.952 20 5 GHBDMN CCC[C@H](C)NC(=O)[C@@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000303190283 914391318 /nfs/dbraw/zinc/39/13/18/914391318.db2.gz FKGIKXROHCDCTK-DLBZAZTESA-N 0 1 391.512 3.899 20 5 GHBDMN O=C(Cc1cccc(F)c1[N+](=O)[O-])Nc1nc2ccc(Br)cc2[nH]1 ZINC001137040909 900181127 /nfs/dbraw/zinc/18/11/27/900181127.db2.gz ZVHSLTSODXTMMC-UHFFFAOYSA-N 0 1 393.172 3.554 20 5 GHBDMN Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)c1C ZINC001137042596 900191283 /nfs/dbraw/zinc/19/12/83/900191283.db2.gz CVURJEDNAFNHJM-QGZVFWFLSA-N 0 1 381.476 3.948 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1 ZINC000157201284 900339112 /nfs/dbraw/zinc/33/91/12/900339112.db2.gz NXWALOREAJPODR-IXDOHACOSA-N 0 1 384.480 3.763 20 5 GHBDMN O=[N+]([O-])c1ncccc1CNC1(c2cccc(Br)c2)CCOCC1 ZINC000886051789 900693179 /nfs/dbraw/zinc/69/31/79/900693179.db2.gz DIJVFUHAPFPZDQ-UHFFFAOYSA-N 0 1 392.253 3.548 20 5 GHBDMN O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)Nc1cc(Cl)c(Cl)cc1F ZINC000799127875 901996368 /nfs/dbraw/zinc/99/63/68/901996368.db2.gz YZGHFCLNEFWQIJ-UHFFFAOYSA-N 0 1 383.159 3.981 20 5 GHBDMN O=[N+]([O-])c1ccccc1CN(CC1(Br)CC1)[C@H]1CC[C@H](O)CC1 ZINC000847000773 903380504 /nfs/dbraw/zinc/38/05/04/903380504.db2.gz AXJPQORXRCLMKL-SHTZXODSSA-N 0 1 383.286 3.628 20 5 GHBDMN Cc1[nH]nc(C(=O)N(Cc2ccccc2)[C@H](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC001148375465 904058194 /nfs/dbraw/zinc/05/81/94/904058194.db2.gz QHAYNCWOXOYSKO-OAHLLOKOSA-N 0 1 378.432 3.900 20 5 GHBDMN Cc1c([C@H](C)NCc2cccc(NC(=O)[C@H]3CCCO3)c2)cccc1[N+](=O)[O-] ZINC000153397857 904360175 /nfs/dbraw/zinc/36/01/75/904360175.db2.gz RGRUPRHFTLVDSR-MGPUTAFESA-N 0 1 383.448 3.872 20 5 GHBDMN O=[N+]([O-])c1ccc(N2CCC(NCc3nnc(-c4ccccc4)s3)CC2)cc1 ZINC000773036824 904391002 /nfs/dbraw/zinc/39/10/02/904391002.db2.gz NQTVTZRBUYYBTA-UHFFFAOYSA-N 0 1 395.488 3.872 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CCC[C@@H](Oc3ccncc3)C2)c1F ZINC001173193003 906277701 /nfs/dbraw/zinc/27/77/01/906277701.db2.gz NRSLHKRZKTUIHM-GDBMZVCRSA-N 0 1 389.427 3.612 20 5 GHBDMN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCCn2cnc(COCC3CC3)c2C1 ZINC001173226965 906309375 /nfs/dbraw/zinc/30/93/75/906309375.db2.gz NABPVFNKBIHXBM-MRXNPFEDSA-N 0 1 384.480 3.555 20 5 GHBDMN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](NC(=O)c2cccc(F)c2)C1 ZINC001173238355 906350717 /nfs/dbraw/zinc/35/07/17/906350717.db2.gz QKJVFLWKZONHHM-HNAYVOBHSA-N 0 1 385.439 3.559 20 5 GHBDMN CC[C@](C)(NCCC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1nc(C)cs1 ZINC000181767163 907073975 /nfs/dbraw/zinc/07/39/75/907073975.db2.gz YFCLRYYIONKMGG-KRWDZBQOSA-N 0 1 380.445 3.742 20 5 GHBDMN O=C(OCc1ccc(Br)c([N+](=O)[O-])c1)c1c(F)cc(O)cc1F ZINC000773427067 907289574 /nfs/dbraw/zinc/28/95/74/907289574.db2.gz VZEJWCLYPDYYON-UHFFFAOYSA-N 0 1 388.120 3.698 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H]1CC2(CCC2)Oc2ccccc21 ZINC001176044476 907865306 /nfs/dbraw/zinc/86/53/06/907865306.db2.gz LXMZGEODGLXDIU-SFHVURJKSA-N 0 1 381.432 3.878 20 5 GHBDMN COc1ccc([C@@H](CNc2ccc(C(C)=O)cc2[N+](=O)[O-])N(C)C)cc1OC ZINC000192905928 908008909 /nfs/dbraw/zinc/00/89/09/908008909.db2.gz RDTLIEKGFUYXFV-GOSISDBHSA-N 0 1 387.436 3.529 20 5 GHBDMN CC(C)N1CCN(CC(=O)N(C)Cc2c3ccccc3cc3ccccc32)CC1 ZINC001180347326 910088835 /nfs/dbraw/zinc/08/88/35/910088835.db2.gz PRWZRKFHHQTNSF-UHFFFAOYSA-N 0 1 389.543 3.977 20 5 GHBDMN C[C@@H]1CCC[C@@H](N(C)CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)C1 ZINC000795408824 910240736 /nfs/dbraw/zinc/24/07/36/910240736.db2.gz MKBDZJURHWZEOR-DGCLKSJQSA-N 0 1 396.285 3.781 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N2CCCCC[C@H]2[C@H]2CCCCC2=O)c1[N+](=O)[O-] ZINC000269449527 910271641 /nfs/dbraw/zinc/27/16/41/910271641.db2.gz GCSMIILMLVYDNW-KGLIPLIRSA-N 0 1 376.457 3.585 20 5 GHBDMN Cc1cc(C2CCN([C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)[nH]n1 ZINC000271653350 911003742 /nfs/dbraw/zinc/00/37/42/911003742.db2.gz SNDHLJZYLPQESB-ZDUSSCGKSA-N 0 1 382.424 3.617 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)c(Cl)cc1OC[C@@H](O)CN1CCc2ccccc2C1 ZINC000795551164 911071072 /nfs/dbraw/zinc/07/10/72/911071072.db2.gz GTHVNAVFFULZRZ-AWEZNQCLSA-N 0 1 397.258 3.700 20 5 GHBDMN CCOc1ccc2c(c1)c(=N)c1ccc(N)cc1n2C(=O)C1(COC)CCC1 ZINC001181953999 911100197 /nfs/dbraw/zinc/10/01/97/911100197.db2.gz SDXAKYZBSXWFLH-UHFFFAOYSA-N 0 1 379.460 3.712 20 5 GHBDMN COc1ccc2c(c1)[C@@H](NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)CCO2 ZINC000274286027 911291378 /nfs/dbraw/zinc/29/13/78/911291378.db2.gz WTXMEVZWOGUIAY-IBGZPJMESA-N 0 1 394.431 3.617 20 5 GHBDMN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc(-c2ccc(C)cc2)n[nH]1 ZINC001182262373 911396028 /nfs/dbraw/zinc/39/60/28/911396028.db2.gz VLJCQVXNDZCKLY-OAHLLOKOSA-N 0 1 379.420 3.896 20 5 GHBDMN Cc1ccc(NC(=O)NC[C@H]2CCC[N@H+](Cc3cc([O-])ccc3[N+](=O)[O-])C2)cc1 ZINC000092708761 911721820 /nfs/dbraw/zinc/72/18/20/911721820.db2.gz ZUOBOOVAXUTOJA-MRXNPFEDSA-N 0 1 398.463 3.643 20 5 GHBDMN Cc1ccc(NC(=O)NC[C@H]2CCC[N@@H+](Cc3cc([O-])ccc3[N+](=O)[O-])C2)cc1 ZINC000092708761 911721826 /nfs/dbraw/zinc/72/18/26/911721826.db2.gz ZUOBOOVAXUTOJA-MRXNPFEDSA-N 0 1 398.463 3.643 20 5 GHBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC001189728462 916886800 /nfs/dbraw/zinc/88/68/00/916886800.db2.gz WWOZDVGPIYZUJO-DOTOQJQBSA-N 0 1 386.404 3.722 20 5 GHBDMN Cc1ccccc1OCCCN(C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC001190417599 917325044 /nfs/dbraw/zinc/32/50/44/917325044.db2.gz MFNOQCYBPZPRRO-KRWDZBQOSA-N 0 1 385.464 3.940 20 5 GHBDMN Cc1cc2cc3ccc(N(C)C)cc3nc2cc1NS(=O)(=O)c1ccncc1 ZINC001190898286 917640041 /nfs/dbraw/zinc/64/00/41/917640041.db2.gz TWSPCFAQHHUFBU-UHFFFAOYSA-N 0 1 392.484 3.958 20 5 GHBDMN Cc1cccc(C(=O)N2CCC(c3ncc(C(F)(F)F)[nH]3)CC2)c1[N+](=O)[O-] ZINC000363333526 918096239 /nfs/dbraw/zinc/09/62/39/918096239.db2.gz JVNOACNACSQKBW-UHFFFAOYSA-N 0 1 382.342 3.665 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Oc2ccccc2)nc1 ZINC000117334666 919538138 /nfs/dbraw/zinc/53/81/38/919538138.db2.gz VSPRBOYZEUQDNE-UHFFFAOYSA-N 0 1 385.401 3.891 20 5 GHBDMN CCN(CC)[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1)c1ccco1 ZINC000411695602 926647157 /nfs/dbraw/zinc/64/71/57/926647157.db2.gz IMLSGKNTWVXLEW-QGZVFWFLSA-N 0 1 389.452 3.788 20 5 GHBDMN Cc1ccc([C@@H](C)NC(=O)Nc2ccccc2N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000751994352 928535755 /nfs/dbraw/zinc/53/57/55/928535755.db2.gz DLPBWTYQOAPHRI-MRXNPFEDSA-N 0 1 397.479 3.538 20 5 GHBDMN C[C@H]1C[C@@H](c2ccccc2)CN1CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000752794131 929025618 /nfs/dbraw/zinc/02/56/18/929025618.db2.gz VPFXDZBEWOSJLI-FUHWJXTLSA-N 0 1 380.448 3.672 20 5 GHBDMN CC(C)[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)c(F)c1 ZINC000544570860 929298221 /nfs/dbraw/zinc/29/82/21/929298221.db2.gz XTFFHGRDXOMNLH-GOSISDBHSA-N 0 1 398.431 3.634 20 5 GHBDMN CCO[C@@H](CCNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000467783691 929409151 /nfs/dbraw/zinc/40/91/51/929409151.db2.gz GDYJBRTWTMEYIN-ZDUSSCGKSA-N 0 1 399.296 3.631 20 5 GHBDMN Cc1coc(-c2cccc(NS(=O)(=O)c3c(C)cc([N+](=O)[O-])cc3C)c2)n1 ZINC000467924993 929596807 /nfs/dbraw/zinc/59/68/07/929596807.db2.gz SZKHQPGTAONFGO-UHFFFAOYSA-N 0 1 387.417 3.976 20 5 GHBDMN CC[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CCN1Cc1ccccc1 ZINC000546054476 929810116 /nfs/dbraw/zinc/81/01/16/929810116.db2.gz GITYJYCWCQIWHG-INIZCTEOSA-N 0 1 386.427 3.862 20 5 GHBDMN Cc1ccc(C(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)cc1[N+](=O)[O-] ZINC000469509381 929953414 /nfs/dbraw/zinc/95/34/14/929953414.db2.gz XOBIILMRABCDBJ-KRWDZBQOSA-N 0 1 395.381 3.955 20 5 GHBDMN CCc1ccc(-c2nc(-c3ccccc3N3CCN(C)CC3)no2)cc1[N+](=O)[O-] ZINC000546433007 930160626 /nfs/dbraw/zinc/16/06/26/930160626.db2.gz VOFHQOIQUCNQCT-UHFFFAOYSA-N 0 1 393.447 3.626 20 5 GHBDMN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1OC(F)(F)F ZINC000759076659 930265425 /nfs/dbraw/zinc/26/54/25/930265425.db2.gz UKZSYFSOILOOGX-UHFFFAOYSA-N 0 1 394.302 3.742 20 5 GHBDMN O=[N+]([O-])c1ccc(NS(=O)(=O)c2cccc(Cl)c2)cc1Br ZINC000782264452 931147209 /nfs/dbraw/zinc/14/72/09/931147209.db2.gz XCAOIJSQAHRMSU-UHFFFAOYSA-N 0 1 391.630 3.812 20 5 GHBDMN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)Nc2ccc3c(c2)OCCCO3)c1 ZINC000783805162 931660304 /nfs/dbraw/zinc/66/03/04/931660304.db2.gz FAEQXMUNVUYFOD-UHFFFAOYSA-N 0 1 398.824 3.519 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000797518378 932317890 /nfs/dbraw/zinc/31/78/90/932317890.db2.gz DPJOPVUJXZSZNL-HUUCEWRRSA-N 0 1 393.484 3.729 20 5 GHBDMN CC[C@H](C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)N(C)Cc1ccccc1 ZINC000559337122 932609815 /nfs/dbraw/zinc/60/98/15/932609815.db2.gz NDBKBKJZRUUIKK-OAQYLSRUSA-N 0 1 381.476 3.996 20 5 GHBDMN COc1cc(CN2CC[C@H](c3ccccn3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000798965811 932843345 /nfs/dbraw/zinc/84/33/45/932843345.db2.gz ZWARMHIALSYLAP-LBPRGKRZSA-N 0 1 379.363 3.589 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1CN[C@@H](CNC(=O)OC(C)(C)C)C(C)(C)C ZINC000799202996 932914023 /nfs/dbraw/zinc/91/40/23/932914023.db2.gz FCHNOYGOASCQHQ-INIZCTEOSA-N 0 1 381.473 3.632 20 5 GHBDMN COC[C@@H](NCc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)[C@@H]1CCCO1 ZINC001116853182 933794639 /nfs/dbraw/zinc/79/46/39/933794639.db2.gz DVYCMIGSTSLJQH-QAPCUYQASA-N 0 1 380.828 3.792 20 5 GHBDMN CC(=O)c1cc(N2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)ccc1[N+](=O)[O-] ZINC000561259866 933997323 /nfs/dbraw/zinc/99/73/23/933997323.db2.gz WNVQOWOGSMQMHQ-GOSISDBHSA-N 0 1 377.404 3.924 20 5 GHBDMN CC(=O)c1cc(N2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)ccc1[N+](=O)[O-] ZINC000561259866 933997331 /nfs/dbraw/zinc/99/73/31/933997331.db2.gz WNVQOWOGSMQMHQ-GOSISDBHSA-N 0 1 377.404 3.924 20 5 GHBDMN CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CCN(C2CC2)[C@H]1c1cccc(OC)c1 ZINC000561683470 934363369 /nfs/dbraw/zinc/36/33/69/934363369.db2.gz HWWCDNGHGDDLMH-ROUUACIJSA-N 0 1 385.468 3.518 20 5 GHBDMN C[C@@H](c1nc(Cc2nnc(-c3ccccc3)[nH]2)no1)c1cccc([N+](=O)[O-])c1 ZINC000561892194 934541689 /nfs/dbraw/zinc/54/16/89/934541689.db2.gz BYNREKFSEJAKSR-GFCCVEGCSA-N 0 1 376.376 3.506 20 5 GHBDMN C[C@H](c1nc(Cc2nnc(-c3ccccc3)[nH]2)no1)c1cccc([N+](=O)[O-])c1 ZINC000561892195 934541918 /nfs/dbraw/zinc/54/19/18/934541918.db2.gz BYNREKFSEJAKSR-LBPRGKRZSA-N 0 1 376.376 3.506 20 5 GHBDMN CCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(Cl)cc(COC)c1 ZINC000562232982 934774306 /nfs/dbraw/zinc/77/43/06/934774306.db2.gz FXSVBTNZNCUJGY-UHFFFAOYSA-N 0 1 384.841 3.758 20 5 GHBDMN CCC[C@@H]1CN(C(=O)c2ccc(NC)c([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC001137817957 935806254 /nfs/dbraw/zinc/80/62/54/935806254.db2.gz PEKUCXYBFRHVRT-LJQANCHMSA-N 0 1 396.491 3.763 20 5 GHBDMN C[N@@H+](CCCNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-])Cc1ccccc1 ZINC000387906572 972147915 /nfs/dbraw/zinc/14/79/15/972147915.db2.gz RXFCWWHJXCPMIA-UHFFFAOYSA-N 0 1 377.828 3.880 20 5 GHBDMN C[C@@H](Cc1ccc(Cl)cc1)[N@@H+](C)Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001592838977 979593361 /nfs/dbraw/zinc/59/33/61/979593361.db2.gz JFWNCVJTKRLIOR-ZDUSSCGKSA-N 0 1 392.839 3.775 20 5 GHBDMN O=C([O-])[C@@H]1CC[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])[C@@H]2CCCC[C@@H]12 ZINC000903907349 981032957 /nfs/dbraw/zinc/03/29/57/981032957.db2.gz VNXITIUIHZYJAO-YWPYICTPSA-N 0 1 397.269 3.823 20 5 GHBDMN CCC[N@@H+](Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)[C@H]1CCCc2cccnc21 ZINC001595899788 982949520 /nfs/dbraw/zinc/94/95/20/982949520.db2.gz KLCONFATAFVHAY-KRWDZBQOSA-N 0 1 399.447 3.743 20 5 GHBDMN CC[N@@H+](Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)[C@@H](C)Cc1ccsc1 ZINC001596362578 983840560 /nfs/dbraw/zinc/84/05/60/983840560.db2.gz HRLQCBIOGRPPPU-ZDUSSCGKSA-N 0 1 378.450 3.573 20 5 GHBDMN CC(C)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Br)CC(C)(C)C(=O)[O-] ZINC001591343804 992326739 /nfs/dbraw/zinc/32/67/39/992326739.db2.gz FNEKAGKYFYIRTL-UHFFFAOYSA-N 0 1 387.274 3.926 20 5 GHBDMN Nc1c(C(=O)N2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)cccc1[N+](=O)[O-] ZINC000468746729 1015988160 /nfs/dbraw/zinc/98/81/60/1015988160.db2.gz ZYZQSUMBNHSZGT-HNNXBMFYSA-N 0 1 385.811 3.684 20 5 GHBDMN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000470152945 1016738219 /nfs/dbraw/zinc/73/82/19/1016738219.db2.gz PPYADTMPMUOKRC-UHFFFAOYSA-N 0 1 390.390 3.659 20 5 GHBDMN CCOC(=O)c1ccc(O[C@H]2CCCN([C@H](C)c3ccccn3)C2)c([N+](=O)[O-])c1 ZINC001227301955 1032363218 /nfs/dbraw/zinc/36/32/18/1032363218.db2.gz SALYCPVJBPCOJE-WBVHZDCISA-N 0 1 399.447 3.771 20 5 GHBDMN COC(=O)c1cc(Br)c(O)cc1O[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001227360523 1032388612 /nfs/dbraw/zinc/38/86/12/1032388612.db2.gz WFHVCZZFTIGWEI-SECBINFHSA-N 0 1 396.193 3.990 20 5 GHBDMN COCc1cc(Cl)cc(S(=O)(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)c1 ZINC000563937580 1018985913 /nfs/dbraw/zinc/98/59/13/1018985913.db2.gz IEZUBYIRDBVPKB-UHFFFAOYSA-N 0 1 384.841 3.812 20 5 GHBDMN O=C(Nc1nnc(-c2ccco2)s1)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000577423751 1020183405 /nfs/dbraw/zinc/18/34/05/1020183405.db2.gz PUOJXNCJPBGIFI-UHFFFAOYSA-N 0 1 384.295 3.977 20 5 GHBDMN COc1cc(C(=O)N2CCC[C@H]2c2nc3ccc(C)cc3[nH]2)c([N+](=O)[O-])cc1F ZINC000577990074 1020299875 /nfs/dbraw/zinc/29/98/75/1020299875.db2.gz SVRJIJOUAQJWBU-INIZCTEOSA-N 0 1 398.394 3.905 20 5 GHBDMN CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1Oc1nc(C2CC2)[n-]c(=O)c1[N+](=O)[O-] ZINC001228604518 1033001732 /nfs/dbraw/zinc/00/17/32/1033001732.db2.gz TVTLSTRYZNWGEJ-INIZCTEOSA-N 0 1 398.463 3.647 20 5 GHBDMN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](C)N1CCc2ccccc2C1 ZINC000754093852 1022476845 /nfs/dbraw/zinc/47/68/45/1022476845.db2.gz FZSRZEUOWMWAIH-HJUDDPQBSA-N 0 1 379.460 3.561 20 5 GHBDMN CCOc1cc(CN2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000755067984 1023059236 /nfs/dbraw/zinc/05/92/36/1023059236.db2.gz VTGHYGMDZAIMLH-HOCLYGCPSA-N 0 1 393.484 3.729 20 5 GHBDMN CO[C@@H]1CS(=O)(=O)C[C@H]1NCc1c2ccccc2c(Cl)c2ccccc21 ZINC001203084127 1023068780 /nfs/dbraw/zinc/06/87/80/1023068780.db2.gz XKYBCGMVLMZMIH-RTBURBONSA-N 0 1 389.904 3.548 20 5 GHBDMN COC(=O)c1cc([N+](=O)[O-])c(O[C@@H](c2ccccc2)c2ccccn2)cc1O ZINC001228814390 1033114308 /nfs/dbraw/zinc/11/43/08/1033114308.db2.gz MJZWPPQKQUFRFQ-IBGZPJMESA-N 0 1 380.356 3.650 20 5 GHBDMN CCN(CC)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N)c1ccccc1Cl ZINC001141308905 1024489848 /nfs/dbraw/zinc/48/98/48/1024489848.db2.gz GKXPUZTXFVQUHX-GOSISDBHSA-N 0 1 390.871 3.643 20 5 GHBDMN O=C(c1cc([N+](=O)[O-])ccc1F)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000831779644 1024853036 /nfs/dbraw/zinc/85/30/36/1024853036.db2.gz HLKHNHFZSXGOSE-AWEZNQCLSA-N 0 1 395.394 3.539 20 5 GHBDMN COc1ccc(-c2n[nH]c(CNc3ccc([N+](=O)[O-])cc3C(F)F)n2)cc1 ZINC001162459885 1025754606 /nfs/dbraw/zinc/75/46/06/1025754606.db2.gz HNLNFQWYSUOQQG-UHFFFAOYSA-N 0 1 375.335 3.938 20 5 GHBDMN COc1ccc(-c2nc(CNc3ccc([N+](=O)[O-])cc3C(F)F)n[nH]2)cc1 ZINC001162459885 1025754611 /nfs/dbraw/zinc/75/46/11/1025754611.db2.gz HNLNFQWYSUOQQG-UHFFFAOYSA-N 0 1 375.335 3.938 20 5 GHBDMN c1ccc2c(c1)c1ccccc1c1nc(NCc3nnc4n3CCCNC4)cnc21 ZINC001163012089 1026007915 /nfs/dbraw/zinc/00/79/15/1026007915.db2.gz VGLISZQMNNVQDC-UHFFFAOYSA-N 0 1 395.470 3.633 20 5 GHBDMN O=[N+]([O-])c1ccc(N2CCO[C@@H]3CCN(Cc4ccccc4)C[C@@H]32)c(Cl)c1 ZINC001163657434 1026269034 /nfs/dbraw/zinc/26/90/34/1026269034.db2.gz YZLZCWRYDIMAFB-VQTJNVASSA-N 0 1 387.867 3.728 20 5 GHBDMN O=[N+]([O-])c1ccc(OC(F)F)c(CN[C@H]2COc3c(F)cc(F)cc3C2)c1 ZINC001204021287 1027812207 /nfs/dbraw/zinc/81/22/07/1027812207.db2.gz VZRGKMHYMMHCCD-GFCCVEGCSA-N 0 1 386.301 3.568 20 5 GHBDMN COC(=O)c1ccc(CNCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1C ZINC001461484927 1069571374 /nfs/dbraw/zinc/57/13/74/1069571374.db2.gz LGVNUOPLYVCGBC-UHFFFAOYSA-N 0 1 382.338 3.998 20 5 GHBDMN O=[N+]([O-])c1cc(O)ccc1-c1nc(-c2ccc(F)cc2Br)no1 ZINC001216890384 1029981724 /nfs/dbraw/zinc/98/17/24/1029981724.db2.gz BVDKMVBGAKTMJQ-UHFFFAOYSA-N 0 1 380.129 3.919 20 5 GHBDMN CCCc1nc2cc(-c3nc(-c4ncc(F)cc4[N+](=O)[O-])no3)cc(C)c2[nH]1 ZINC001217409784 1030374414 /nfs/dbraw/zinc/37/44/14/1030374414.db2.gz JCEARTIIFYJFGV-UHFFFAOYSA-N 0 1 382.355 3.983 20 5 GHBDMN C[C@H]1CCN(Cc2ccccc2)C[C@@H]1Oc1c([N+](=O)[O-])cc(F)cc1[N+](=O)[O-] ZINC001225887143 1031676813 /nfs/dbraw/zinc/67/68/13/1031676813.db2.gz VAOPJTKXNJECEN-UGSOOPFHSA-N 0 1 389.383 3.932 20 5 GHBDMN CCC1(CC)CCCN1C(=O)Nc1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC001220188494 1031824139 /nfs/dbraw/zinc/82/41/39/1031824139.db2.gz FNDVWRFNRYVTCW-UHFFFAOYSA-N 0 1 389.500 3.533 20 5 GHBDMN O=[N+]([O-])c1ccc2ncnc(O[C@@H]3CCN(Cc4ccc(Cl)cc4)C3)c2c1 ZINC001226440933 1031961520 /nfs/dbraw/zinc/96/15/20/1031961520.db2.gz IJNYNIJTBREDCM-MRXNPFEDSA-N 0 1 384.823 3.845 20 5 GHBDMN C[C@H]1CCN(Cc2ccccc2)C[C@@H]1Oc1n[nH]c(=O)c2ccc([N+](=O)[O-])cc21 ZINC001229361888 1033438586 /nfs/dbraw/zinc/43/85/86/1033438586.db2.gz PPAOHFZYPYWZAQ-LIRRHRJNSA-N 0 1 394.431 3.533 20 5 GHBDMN Cc1nc(OCc2cc(OC(C)C)cc(OC(C)C)c2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229378385 1033446192 /nfs/dbraw/zinc/44/61/92/1033446192.db2.gz LDPPZSAFNMFFTE-UHFFFAOYSA-N 0 1 377.397 3.552 20 5 GHBDMN C[C@@H](CNCc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC001205646184 1033510060 /nfs/dbraw/zinc/51/00/60/1033510060.db2.gz ZNQYMRDIACOWJX-JTQLQIEISA-N 0 1 377.363 3.616 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2cc(-c3nc(-c4ccccc4-n4ccnc4)no3)[nH]n2)cc1 ZINC001213008577 1033597279 /nfs/dbraw/zinc/59/72/79/1033597279.db2.gz RQHKXMVRAVHEPE-UHFFFAOYSA-N 0 1 399.370 3.888 20 5 GHBDMN CC(=O)Nc1ccc([N+](=O)[O-])cc1O[C@H]1CCN(Cc2ccccc2Cl)C1 ZINC001230251159 1033962188 /nfs/dbraw/zinc/96/21/88/1033962188.db2.gz LNMWVDGUEUGQDZ-INIZCTEOSA-N 0 1 389.839 3.860 20 5 GHBDMN O=[N+]([O-])c1cc2cn[nH]c2cc1O[C@@H]1CCN(Cc2ccccc2)CC1(F)F ZINC001230601343 1034142927 /nfs/dbraw/zinc/14/29/27/1034142927.db2.gz MMDQMDYVFHIYSN-GOSISDBHSA-N 0 1 388.374 3.760 20 5 GHBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001160727295 1035045382 /nfs/dbraw/zinc/04/53/82/1035045382.db2.gz KIDXDMRZHTZEDB-LSDHHAIUSA-N 0 1 383.795 3.776 20 5 GHBDMN Cc1cc(O[C@H]2CCCN(Cc3ccc4ccc5cccnc5c4n3)C2)ncn1 ZINC001232227030 1035172032 /nfs/dbraw/zinc/17/20/32/1035172032.db2.gz DYCIRQUQWQYUGV-FQEVSTJZSA-N 0 1 385.471 3.925 20 5 GHBDMN Cc1cncnc1OC1CCN(Cc2ccc3ccc4cccnc4c3n2)CC1 ZINC001232227613 1035173246 /nfs/dbraw/zinc/17/32/46/1035173246.db2.gz JIGFWVGVRDORCV-UHFFFAOYSA-N 0 1 385.471 3.925 20 5 GHBDMN Cc1ccnc(O[C@H]2CCCN(Cc3ccc4ccc5cccnc5c4n3)C2)n1 ZINC001232229046 1035173312 /nfs/dbraw/zinc/17/33/12/1035173312.db2.gz YKTMPKQGCADYRC-FQEVSTJZSA-N 0 1 385.471 3.925 20 5 GHBDMN CN(C)c1ccc(-c2nnc(-c3cc(-c4cccc([N+](=O)[O-])c4)n[nH]3)o2)cc1 ZINC001252347550 1038949592 /nfs/dbraw/zinc/94/95/92/1038949592.db2.gz FDPQOTPIOBVVGB-UHFFFAOYSA-N 0 1 376.376 3.768 20 5 GHBDMN Cc1ccc(CNC(=O)N2CCC[C@H](c3cc(C(C)C)[nH]n3)C2)cc1[N+](=O)[O-] ZINC001234581425 1040146766 /nfs/dbraw/zinc/14/67/66/1040146766.db2.gz FTAAIADNPMPTKE-INIZCTEOSA-N 0 1 385.468 3.839 20 5 GHBDMN C[C@@]1(c2ccc(F)cc2)CN(C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCO1 ZINC001254479510 1040266935 /nfs/dbraw/zinc/26/69/35/1040266935.db2.gz COJGJXODGAXAQH-QFIPXVFZSA-N 0 1 399.466 3.950 20 5 GHBDMN CC(C)=CCc1c(O)cc2oc3ccc(O)cc3c(=O)c2c1OC[C@H]1COCO1 ZINC001234742319 1040268446 /nfs/dbraw/zinc/26/84/46/1040268446.db2.gz WPXVPNOVIDATIF-CQSZACIVSA-N 0 1 398.411 3.618 20 5 GHBDMN CC(C)=CCc1c(O)cc2oc3ccc(O)cc3c(=O)c2c1O[C@@H](C)CON ZINC001234744074 1040270375 /nfs/dbraw/zinc/27/03/75/1040270375.db2.gz JVJWJTSDCFLWAT-LBPRGKRZSA-N 0 1 385.416 3.524 20 5 GHBDMN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCC(Oc2ccc(Cl)nn2)CC1 ZINC001254567571 1040343473 /nfs/dbraw/zinc/34/34/73/1040343473.db2.gz XBOUJZDZJATXMD-ZDUSSCGKSA-N 0 1 376.844 3.513 20 5 GHBDMN COc1cc(N2CCC(N3CCO[C@H](c4ccccc4)C3)CC2)ccc1[N+](=O)[O-] ZINC001256099306 1041527511 /nfs/dbraw/zinc/52/75/11/1041527511.db2.gz NGKLIFIRVVOGSW-QFIPXVFZSA-N 0 1 397.475 3.646 20 5 GHBDMN COc1ccc2nc([C@@H](C)NC(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)[nH]c2c1 ZINC001296768970 1045370024 /nfs/dbraw/zinc/37/00/24/1045370024.db2.gz SYSJXEGYYTYHCC-GHMZBOCLSA-N 0 1 386.383 3.600 20 5 GHBDMN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001265828928 1047680617 /nfs/dbraw/zinc/68/06/17/1047680617.db2.gz VSSSFSLBPPOHHB-KRWDZBQOSA-N 0 1 385.439 3.779 20 5 GHBDMN C[C@H](Sc1ccc(F)cc1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC001306510469 1048712238 /nfs/dbraw/zinc/71/22/38/1048712238.db2.gz YZZKLPKADIRZDF-JTQLQIEISA-N 0 1 387.396 3.638 20 5 GHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCc2cccc(C(F)(F)F)c2C1 ZINC001287551478 1048815909 /nfs/dbraw/zinc/81/59/09/1048815909.db2.gz BESILQWINSPQKM-UHFFFAOYSA-N 0 1 390.321 3.688 20 5 GHBDMN O=C([O-])CC[C@H]1CCCC[N@H+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000901998846 1049238107 /nfs/dbraw/zinc/23/81/07/1049238107.db2.gz ZYGVQBUAMWKAIG-QGZVFWFLSA-N 0 1 375.469 3.804 20 5 GHBDMN CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2C[C@H]3CCC[C@@H](C2)C3O)cc1OC ZINC001307475033 1049311585 /nfs/dbraw/zinc/31/15/85/1049311585.db2.gz NATGLNJYWUGIFZ-MHUZGRKSSA-N 0 1 392.496 3.621 20 5 GHBDMN CC(C)[C@@H](CO)N(Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)Cc1ccccc1 ZINC001307507690 1049349297 /nfs/dbraw/zinc/34/92/97/1049349297.db2.gz MZJWHSDNMMDGET-LJQANCHMSA-N 0 1 396.447 3.664 20 5 GHBDMN C[C@@H]1C[C@@H](C)CN(CCN[C@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)C1 ZINC001307840361 1049626887 /nfs/dbraw/zinc/62/68/87/1049626887.db2.gz BGMVULKLWKGCNJ-XHBSWPGZSA-N 0 1 377.382 3.905 20 5 GHBDMN Cc1ccc(CN2CC[C@@H](Oc3cncc(Br)c3)C2)cc1[N+](=O)[O-] ZINC001307882867 1049663840 /nfs/dbraw/zinc/66/38/40/1049663840.db2.gz RYHSJFBNPOWWRW-OAHLLOKOSA-N 0 1 392.253 3.714 20 5 GHBDMN CN(C)[C@H](CNC(=O)CCc1c(Cl)cccc1[N+](=O)[O-])c1cccs1 ZINC001290125994 1049739280 /nfs/dbraw/zinc/73/92/80/1049739280.db2.gz UJWAIYCEZHLBCY-OAHLLOKOSA-N 0 1 381.885 3.661 20 5 GHBDMN CN(CC[C@H]1CCCC[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC001308175006 1049901681 /nfs/dbraw/zinc/90/16/81/1049901681.db2.gz YTXNONDRPPJGQP-MRXNPFEDSA-N 0 1 393.484 3.912 20 5 GHBDMN CC(C)(C)OC(=O)NC1(CNCc2nc3cc([N+](=O)[O-])ccc3o2)CCCC1 ZINC001308859321 1050127282 /nfs/dbraw/zinc/12/72/82/1050127282.db2.gz IFKVSCPFSHIRKY-UHFFFAOYSA-N 0 1 390.440 3.663 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N[C@@H](c2ccccn2)C2CCC2)c1 ZINC001328850488 1050659536 /nfs/dbraw/zinc/65/95/36/1050659536.db2.gz HUWUMRZDLQISOO-MRXNPFEDSA-N 0 1 399.831 3.602 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(CN2CC[C@H]3CC[C@@H](C2)[S@]3=O)o1 ZINC001329171361 1050739881 /nfs/dbraw/zinc/73/98/81/1050739881.db2.gz BVALJJKRMWDYEJ-RIDFSIMASA-N 0 1 394.880 3.994 20 5 GHBDMN CSCC1(CCNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC001309669421 1050910994 /nfs/dbraw/zinc/91/09/94/1050910994.db2.gz UUCGTNLEYLBCBZ-UHFFFAOYSA-N 0 1 399.321 3.713 20 5 GHBDMN O=[N+]([O-])c1ccc([C@H](O)CN2CC(Cc3ccccc3C(F)(F)F)C2)cc1 ZINC001320150366 1055677553 /nfs/dbraw/zinc/67/75/53/1055677553.db2.gz RXLBCDQHOCKESX-GOSISDBHSA-N 0 1 380.366 3.822 20 5 GHBDMN O=[N+]([O-])c1ccc(N2CCC(c3cc(-c4ccncc4)[nH]n3)CC2)c([N+](=O)[O-])c1 ZINC000848719032 1057262701 /nfs/dbraw/zinc/26/27/01/1057262701.db2.gz SZDPCVLAHJFCIZ-UHFFFAOYSA-N 0 1 394.391 3.672 20 5 GHBDMN O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1NCc1n[nH]c([C@H]2CCCO2)n1 ZINC000848750773 1057278888 /nfs/dbraw/zinc/27/88/88/1057278888.db2.gz XAFMREFSVNTLON-LLVKDONJSA-N 0 1 391.737 3.849 20 5 GHBDMN Cc1ccc(CN2CCCN(C(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)CC2)cc1 ZINC001325315731 1057311078 /nfs/dbraw/zinc/31/10/78/1057311078.db2.gz FZPFHUPLUNBCRN-KRWDZBQOSA-N 0 1 399.466 3.880 20 5 GHBDMN CCO[C@@H]1C[C@H](NCc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)[C@H]1OC ZINC001325791312 1057365529 /nfs/dbraw/zinc/36/55/29/1057365529.db2.gz ZFRDFYHHRNUUJG-BMGDILEWSA-N 0 1 380.828 3.790 20 5 GHBDMN CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(-c2ccccc2O)n[nH]1 ZINC001449899544 1060479954 /nfs/dbraw/zinc/47/99/54/1060479954.db2.gz VARYZLOACAAAFG-UHFFFAOYSA-N 0 1 381.392 3.763 20 5 GHBDMN COC(=O)[C@@H](C)c1ccc(NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)cc1 ZINC001451302960 1060759461 /nfs/dbraw/zinc/75/94/61/1060759461.db2.gz RQLCTVSYYIQABS-LBPRGKRZSA-N 0 1 394.387 3.514 20 5 GHBDMN O=C(Nc1nnc(Cc2cccc(F)c2)s1)c1c(F)cccc1[N+](=O)[O-] ZINC001435083984 1062282345 /nfs/dbraw/zinc/28/23/45/1062282345.db2.gz SUGHQRFAIJGVTJ-UHFFFAOYSA-N 0 1 376.344 3.568 20 5 GHBDMN C[C@H](NC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)C1=NN(C)CC1=O ZINC001456792121 1062858317 /nfs/dbraw/zinc/85/83/17/1062858317.db2.gz LULWXBGHBQFBKF-LBPRGKRZSA-N 0 1 398.444 3.676 20 5 GHBDMN CC[C@@H](c1ccccc1)N1CCN(C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC001456992981 1062941239 /nfs/dbraw/zinc/94/12/39/1062941239.db2.gz WKJXWRVLDBBAKZ-UTKZUKDTSA-N 0 1 381.476 3.994 20 5 GHBDMN CCCCc1nc(C(=O)OCC)c(NC(=O)c2cc([N+](=O)[O-])c(F)cc2C)[nH]1 ZINC001435886759 1062981697 /nfs/dbraw/zinc/98/16/97/1062981697.db2.gz JLQDJLGNMWSAJO-UHFFFAOYSA-N 0 1 392.387 3.537 20 5 GHBDMN O=C(Nc1n[nH]c2nc(C(F)(F)F)ccc12)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001457221194 1063040136 /nfs/dbraw/zinc/04/01/36/1063040136.db2.gz LCNXEKXNJVOEDE-UHFFFAOYSA-N 0 1 385.689 3.791 20 5 GHBDMN CCc1nn(C)c(N2CCC[C@@H](c3cc(-c4ccccc4)[nH]n3)C2)c1[N+](=O)[O-] ZINC001458555437 1063890342 /nfs/dbraw/zinc/89/03/42/1063890342.db2.gz BGFXDXAWCASYHA-OAHLLOKOSA-N 0 1 380.452 3.665 20 5 GHBDMN Cc1onc(OC(F)F)c1NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001458987571 1063976109 /nfs/dbraw/zinc/97/61/09/1063976109.db2.gz MIXUGNCRVXRHOG-UHFFFAOYSA-N 0 1 396.331 3.868 20 5 GHBDMN O=C(Nc1ccc(Nc2ccncc2)cc1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001300213547 1065716954 /nfs/dbraw/zinc/71/69/54/1065716954.db2.gz QMXHWPGGBGNYIE-UHFFFAOYSA-N 0 1 384.342 3.886 20 5 GHBDMN CCOc1ccccc1[C@H](N)CC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001357487086 1067121969 /nfs/dbraw/zinc/12/19/69/1067121969.db2.gz PLJPPOPMCKZYRQ-GOSISDBHSA-N 0 1 383.448 3.575 20 5 GHBDMN CN(Cc1ccccc1)C1CN(C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC001467938220 1067535412 /nfs/dbraw/zinc/53/54/12/1067535412.db2.gz PAVTYQLNXWWPQO-UHFFFAOYSA-N 0 1 387.867 3.524 20 5 GHBDMN O=C(NC/C=C\c1ccc(Br)cc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC001468353364 1067699834 /nfs/dbraw/zinc/69/98/34/1067699834.db2.gz NJHTYMJGHFVRQK-UPHRSURJSA-N 0 1 377.194 3.506 20 5 GHBDMN CC(C)(C)OC(=O)c1cc(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)n[nH]1 ZINC001469323416 1068102748 /nfs/dbraw/zinc/10/27/48/1068102748.db2.gz KEMIBTXMCJKZRY-UHFFFAOYSA-N 0 1 388.424 3.823 20 5 GHBDMN CCOC(=O)[C@@H]1CCCC[C@@H]1NCc1cccc([N+](=O)[O-])c1Br ZINC001460105579 1068784600 /nfs/dbraw/zinc/78/46/00/1068784600.db2.gz KUMIZRDCWKYRSF-OLZOCXBDSA-N 0 1 385.258 3.569 20 5 GHBDMN C[C@@H]1CN(Cc2ccccc2)C[C@@]2(CCN(Cc3cc(F)ccc3[N+](=O)[O-])C2)O1 ZINC001460690235 1069088079 /nfs/dbraw/zinc/08/80/79/1069088079.db2.gz GHPGVBDFHZNWHK-VGSWGCGISA-N 0 1 399.466 3.599 20 5 GHBDMN CCC(=O)c1ccc(N2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)c([N+](=O)[O-])c1 ZINC001472812236 1073676405 /nfs/dbraw/zinc/67/64/05/1073676405.db2.gz FAGIIFZTYZNABA-NQIIRXRSSA-N 0 1 379.460 3.898 20 5 GHBDMN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001473154362 1073813953 /nfs/dbraw/zinc/81/39/53/1073813953.db2.gz VHIZNFQNDUPRNB-QGZVFWFLSA-N 0 1 396.491 3.518 20 5 GHBDMN O=[N+]([O-])c1ccccc1-c1nnc(CN2CC[C@@H](Cc3ccc(F)cc3)C2)o1 ZINC001473174259 1073830960 /nfs/dbraw/zinc/83/09/60/1073830960.db2.gz SDQDOKYZPPHCID-HNNXBMFYSA-N 0 1 382.395 3.849 20 5 GHBDMN CC(C)(C)N(CCOc1ccccc1[N+](=O)[O-])CC(=O)Nc1ccc(F)cc1 ZINC001473253595 1073891712 /nfs/dbraw/zinc/89/17/12/1073891712.db2.gz RGKFRAYQBLUQRD-UHFFFAOYSA-N 0 1 389.427 3.852 20 5 GHBDMN CC1(C)C[C@H](NCc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(C)(C)O1 ZINC001473408867 1073953360 /nfs/dbraw/zinc/95/33/60/1073953360.db2.gz MXHPSICBRQCHAL-ZDUSSCGKSA-N 0 1 380.832 3.734 20 5 GHBDMN C[C@@H](CNCc1nnn(-c2ccccc2)c1C1CC1)c1ccccc1[N+](=O)[O-] ZINC001474727607 1074535791 /nfs/dbraw/zinc/53/57/91/1074535791.db2.gz HWMSJUALTLKMNT-HNNXBMFYSA-N 0 1 377.448 3.946 20 5 GHBDMN O=[N+]([O-])c1ccc(OS(=O)(=O)c2c[nH]c3ncc(Cl)cc32)cc1Cl ZINC001474893299 1074616599 /nfs/dbraw/zinc/61/65/99/1074616599.db2.gz FSLCDBJWAZBHRH-UHFFFAOYSA-N 0 1 388.188 3.546 20 5 GHBDMN CC[C@@H](CSc1ccccc1)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC001475122939 1074746691 /nfs/dbraw/zinc/74/66/91/1074746691.db2.gz VSZVMORZTLLYRD-LBPRGKRZSA-N 0 1 384.454 3.583 20 5 GHBDMN C[C@@H](c1cccc(Nc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000736718258 600161968 /nfs/dbraw/zinc/16/19/68/600161968.db2.gz SBXYHGYLXWPTCK-LYASGUKUSA-N 0 1 397.431 3.829 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000832482060 601973200 /nfs/dbraw/zinc/97/32/00/601973200.db2.gz WELPVVIILGBZKE-HNNXBMFYSA-N 0 1 385.203 3.826 20 5 GHBDMN C[N@@H+](Cc1ccccc1)[C@@H]1CCN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000830855560 604269537 /nfs/dbraw/zinc/26/95/37/604269537.db2.gz AKVPEBRINIEODY-CQSZACIVSA-N 0 1 389.839 3.657 20 5 GHBDMN CCOc1ccc([C@@H](C)N[C@H]2CCN(c3ccccc3F)C2=O)cc1[N+](=O)[O-] ZINC000180770683 837518350 /nfs/dbraw/zinc/51/83/50/837518350.db2.gz NMIOOTPUIFGLJS-CJNGLKHVSA-N 0 1 387.411 3.589 20 5 GHBDMN CC[C@@H](C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)N(C)Cc1ccccc1 ZINC000581975367 837759683 /nfs/dbraw/zinc/75/96/83/837759683.db2.gz AEJXAIDNETZXSF-NRFANRHFSA-N 0 1 394.475 3.645 20 5 GHBDMN Cc1cc(N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000572964696 834516654 /nfs/dbraw/zinc/51/66/54/834516654.db2.gz VYSDWIGXLKQWQX-DNVCBOLYSA-N 0 1 383.448 3.924 20 5 GHBDMN CCN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H](COC)Cc1ccccc1 ZINC000472330445 834949072 /nfs/dbraw/zinc/94/90/72/834949072.db2.gz SFYOYENTGYOPEM-LJQANCHMSA-N 0 1 396.447 3.724 20 5 GHBDMN CN(C)[C@@H](CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1cccs1 ZINC000179174232 834980673 /nfs/dbraw/zinc/98/06/73/834980673.db2.gz SHRRNKZYGWSZJG-KRWDZBQOSA-N 0 1 388.493 3.633 20 5 GHBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@@](C)(C(=O)[O-])C2)cc1OC ZINC000583817188 835084279 /nfs/dbraw/zinc/08/42/79/835084279.db2.gz BAQPNNXCEBQOSO-VBKZILBWSA-N 0 1 394.468 3.715 20 5 GHBDMN Cc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)N2CCCC2)o1 ZINC000097570387 835304154 /nfs/dbraw/zinc/30/41/54/835304154.db2.gz MEAKAFXEMMCMSN-MRXNPFEDSA-N 0 1 377.828 3.717 20 5 GHBDMN C[C@@H](N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1cccc(OC(F)F)c1 ZINC000179578799 835883723 /nfs/dbraw/zinc/88/37/23/835883723.db2.gz QXYRBPFUMQGVCC-NEPJUHHUSA-N 0 1 379.363 3.874 20 5 GHBDMN C[C@H](N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cccc(OC(F)F)c1 ZINC000179592546 835887766 /nfs/dbraw/zinc/88/77/66/835887766.db2.gz TVTPNYOMLOGBQB-SJCJKPOMSA-N 0 1 391.374 3.652 20 5 GHBDMN CC[C@@H](NCc1cccc([N+](=O)[O-])c1C)c1ccccc1OCC(=O)N(C)C ZINC000179729374 835962426 /nfs/dbraw/zinc/96/24/26/835962426.db2.gz HBTRWLKAKXVQJA-GOSISDBHSA-N 0 1 385.464 3.611 20 5 GHBDMN O=C(CCNC1(c2ccc(F)cc2F)CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000411479667 836177352 /nfs/dbraw/zinc/17/73/52/836177352.db2.gz ZVJWATUGJWMNEL-UHFFFAOYSA-N 0 1 375.375 3.871 20 5 GHBDMN Cc1ccc([C@@H](C)NC(=O)NC[C@@H](c2cccs2)N(C)C)cc1[N+](=O)[O-] ZINC000175545253 836659548 /nfs/dbraw/zinc/65/95/48/836659548.db2.gz YNBZMGITNOOXAS-CJNGLKHVSA-N 0 1 376.482 3.628 20 5 GHBDMN COc1cccc([C@@H](C)CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)c1 ZINC000175542814 836659986 /nfs/dbraw/zinc/65/99/86/836659986.db2.gz SQJPOZVVVDNCGA-LBPRGKRZSA-N 0 1 381.392 3.521 20 5 GHBDMN C[C@H]1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000177661099 836971128 /nfs/dbraw/zinc/97/11/28/836971128.db2.gz RUJPPLGLXXEUBW-HNNXBMFYSA-N 0 1 387.867 3.985 20 5 GHBDMN CCc1cc(NC(=O)c2ccc(CN(CC)CC)o2)c2cc([N+](=O)[O-])ccc2n1 ZINC000613190114 837378181 /nfs/dbraw/zinc/37/81/81/837378181.db2.gz KJQVQRKALBOYPN-UHFFFAOYSA-N 0 1 396.447 3.814 20 5 GHBDMN O=C(Nc1nnc(-c2ccc(Cl)cc2F)s1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000473384464 844287398 /nfs/dbraw/zinc/28/73/98/844287398.db2.gz DFXNOGQWEBYVDV-UHFFFAOYSA-N 0 1 394.771 3.864 20 5 GHBDMN O=C1c2ccccc2CCN1CCNCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000189040808 838061353 /nfs/dbraw/zinc/06/13/53/838061353.db2.gz XHYBSLBXTZSTCL-UHFFFAOYSA-N 0 1 391.427 3.643 20 5 GHBDMN CCOc1ccc([C@@H](C)N[C@H]2CCN(Cc3ccc(C)cc3)C2=O)cc1[N+](=O)[O-] ZINC000189089776 838068662 /nfs/dbraw/zinc/06/86/62/838068662.db2.gz DZTXKNCWUHMDHO-APWZRJJASA-N 0 1 397.475 3.754 20 5 GHBDMN CC[C@@H](C)N(CCc1ccc([N+](=O)[O-])cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000118849783 838261791 /nfs/dbraw/zinc/26/17/91/838261791.db2.gz UAXFCPIWZDCDJG-OAHLLOKOSA-N 0 1 380.448 3.675 20 5 GHBDMN C[C@H](N[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000189994868 838518076 /nfs/dbraw/zinc/51/80/76/838518076.db2.gz FJNQCLNUTHJDMQ-DJJJIMSYSA-N 0 1 389.402 3.715 20 5 GHBDMN COc1ccc(NC(=O)[C@@H](C)N[C@H](C)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000027537252 838992657 /nfs/dbraw/zinc/99/26/57/838992657.db2.gz OEIKOQBGMLFQBP-VXGBXAGGSA-N 0 1 377.828 3.935 20 5 GHBDMN CC[C@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1cc(F)ccc1F ZINC000610136359 839748398 /nfs/dbraw/zinc/74/83/98/839748398.db2.gz SOBSLTXURBURIN-ZDUSSCGKSA-N 0 1 390.795 3.956 20 5 GHBDMN O=C(NCCc1nc2ccc(F)cc2[nH]1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000119342378 840342288 /nfs/dbraw/zinc/34/22/88/840342288.db2.gz WHUBIGKFXMXILI-UHFFFAOYSA-N 0 1 377.763 3.628 20 5 GHBDMN COc1ccccc1[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1C)N1CCCCC1 ZINC000511834292 840908366 /nfs/dbraw/zinc/90/83/66/840908366.db2.gz KJCQBBFEJXLHGO-FQEVSTJZSA-N 0 1 397.475 3.869 20 5 GHBDMN O=C(NC[C@H]1CCCCN1CCOc1cccc([N+](=O)[O-])c1)Nc1ccccc1 ZINC001167746008 841337868 /nfs/dbraw/zinc/33/78/68/841337868.db2.gz OKNPMWNLYROWCZ-LJQANCHMSA-N 0 1 398.463 3.650 20 5 GHBDMN COc1cccc(N2CCN(c3cc(C)nc4ccc([N+](=O)[O-])cc43)CC2)c1 ZINC000302128801 861212660 /nfs/dbraw/zinc/21/26/60/861212660.db2.gz BKMMPVFCXLASGO-UHFFFAOYSA-N 0 1 378.432 3.787 20 5 GHBDMN Cc1cc(N(C)Cc2ccccc2N2CCOCC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302155308 861222288 /nfs/dbraw/zinc/22/22/88/861222288.db2.gz IPZNDSBOCZCJCX-UHFFFAOYSA-N 0 1 392.459 3.924 20 5 GHBDMN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000477269828 841931765 /nfs/dbraw/zinc/93/17/65/841931765.db2.gz ALIHGBKZPREUHV-QGZVFWFLSA-N 0 1 387.867 3.951 20 5 GHBDMN Cc1cc(NCc2n[nH]c(COc3ccccc3)n2)c2cccc([N+](=O)[O-])c2n1 ZINC000302296945 861258721 /nfs/dbraw/zinc/25/87/21/861258721.db2.gz XVBVEKNKESYKIR-UHFFFAOYSA-N 0 1 390.403 3.761 20 5 GHBDMN Cc1ccc([C@@H](C)NC(=O)NC[C@H](c2ccc(F)cc2)N(C)C)cc1[N+](=O)[O-] ZINC000175926460 842108652 /nfs/dbraw/zinc/10/86/52/842108652.db2.gz IBWQZOIKKYEJHC-AUUYWEPGSA-N 0 1 388.443 3.705 20 5 GHBDMN CC[C@H](CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCc2ccccc2C1 ZINC000512023182 842173877 /nfs/dbraw/zinc/17/38/77/842173877.db2.gz IJZPTOLQNKBLNV-GOSISDBHSA-N 0 1 392.459 3.643 20 5 GHBDMN CC1(C)C[C@@H](NCc2ccc(CS(C)(=O)=O)cc2)c2cc([N+](=O)[O-])ccc21 ZINC000279146076 842647449 /nfs/dbraw/zinc/64/74/49/842647449.db2.gz SHYIHSSJPXEQOQ-LJQANCHMSA-N 0 1 388.489 3.652 20 5 GHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000247429777 842710355 /nfs/dbraw/zinc/71/03/55/842710355.db2.gz UFSWCDMWVSKFMD-UHFFFAOYSA-N 0 1 389.415 3.972 20 5 GHBDMN Cc1cc(OCC(=O)Nc2nc3ccc(C(F)(F)F)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000430790275 842988699 /nfs/dbraw/zinc/98/86/99/842988699.db2.gz FZLLPXZMNNYWCL-UHFFFAOYSA-N 0 1 394.309 3.816 20 5 GHBDMN Cc1cc(Cl)c(S(=O)(=O)Nc2c[nH]nc2-c2ccccc2)cc1[N+](=O)[O-] ZINC000761350229 861387880 /nfs/dbraw/zinc/38/78/80/861387880.db2.gz NVOSKOSQZBIMPR-UHFFFAOYSA-N 0 1 392.824 3.748 20 5 GHBDMN COc1cc(C[N@@H+](C)CCOc2ccccc2[N+](=O)[O-])ccc1OC(F)F ZINC000051472689 843220048 /nfs/dbraw/zinc/22/00/48/843220048.db2.gz JGBKULWAKVMOBZ-UHFFFAOYSA-N 0 1 382.363 3.716 20 5 GHBDMN C[C@@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000432587059 843225044 /nfs/dbraw/zinc/22/50/44/843225044.db2.gz HUSUSADGKLDFDC-OKILXGFUSA-N 0 1 397.431 3.671 20 5 GHBDMN Cc1ccc(CN[C@@H]2CCCN([C@@H](C)c3ccccc3F)C2=O)cc1[N+](=O)[O-] ZINC000555607343 861400006 /nfs/dbraw/zinc/40/00/06/861400006.db2.gz YXXXBRFXKBVNCN-HNAYVOBHSA-N 0 1 385.439 3.884 20 5 GHBDMN O=[N+]([O-])c1cc(CNCc2ccc(N3CCCC3)nc2)cc(C(F)(F)F)c1 ZINC000278869631 843380508 /nfs/dbraw/zinc/38/05/08/843380508.db2.gz YNPADKSNWUEIHR-UHFFFAOYSA-N 0 1 380.370 3.899 20 5 GHBDMN CCCN1C(=O)c2ccc(Cl)cc2N[C@@H]1c1cc(OC)c(O)c([N+](=O)[O-])c1 ZINC000603940751 861423981 /nfs/dbraw/zinc/42/39/81/861423981.db2.gz XMHKBFVYMWIRLZ-KRWDZBQOSA-N 0 1 391.811 3.939 20 5 GHBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@@H](c3ccc(OC)c(F)c3)C2)c1 ZINC000599675818 861473941 /nfs/dbraw/zinc/47/39/41/861473941.db2.gz PNZCYHQIQYWCFX-OAHLLOKOSA-N 0 1 388.395 3.519 20 5 GHBDMN CC(C)(C(=O)NC[C@H](c1cccs1)N1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000429923985 843971009 /nfs/dbraw/zinc/97/10/09/843971009.db2.gz KVTFAINMWXITFO-QGZVFWFLSA-N 0 1 387.505 3.887 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(Cl)c1-n1cccn1 ZINC000603980349 861498917 /nfs/dbraw/zinc/49/89/17/861498917.db2.gz MDJHPFCKPBXNBD-UHFFFAOYSA-N 0 1 392.824 3.543 20 5 GHBDMN Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccc2nc(-c3cccc(F)c3)[nH]c2c1 ZINC000603983596 861502100 /nfs/dbraw/zinc/50/21/00/861502100.db2.gz OEAUBFJTDPWNMO-UHFFFAOYSA-N 0 1 379.351 3.868 20 5 GHBDMN C[C@H](C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000573773269 844887698 /nfs/dbraw/zinc/88/76/98/844887698.db2.gz XTWDLFDXFAHCDJ-IBGZPJMESA-N 0 1 395.503 3.865 20 5 GHBDMN CO[C@@H](c1ccccc1Cl)[C@H](C)NCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000481492601 861516676 /nfs/dbraw/zinc/51/66/76/861516676.db2.gz ICECQMZOEIJOIW-ORAYPTAESA-N 0 1 391.855 3.861 20 5 GHBDMN C[C@H]1CN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[C@H]1c1ccccc1 ZINC001167499369 845306626 /nfs/dbraw/zinc/30/66/26/845306626.db2.gz HMAXEJDIRWEGCQ-OXJNMPFZSA-N 0 1 379.460 3.610 20 5 GHBDMN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@H](c1ccc(Cl)cc1)N(C)C ZINC000843812992 861576041 /nfs/dbraw/zinc/57/60/41/861576041.db2.gz FMDNBFHZLVPODQ-MRXNPFEDSA-N 0 1 379.819 3.728 20 5 GHBDMN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2NCc2ccsc2Br)n1 ZINC000511037362 845810504 /nfs/dbraw/zinc/81/05/04/845810504.db2.gz IOHQFCKKZIEIEM-VXGBXAGGSA-N 0 1 385.287 3.889 20 5 GHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H](c2ccccc2)C(F)(F)F)c(Cl)c1 ZINC000604037000 861654687 /nfs/dbraw/zinc/65/46/87/861654687.db2.gz TVFBKPRFZVZRRY-ZDUSSCGKSA-N 0 1 394.758 3.830 20 5 GHBDMN O=[N+]([O-])c1cccc(CN(C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C2CC2)c1 ZINC000551387045 846357831 /nfs/dbraw/zinc/35/78/31/846357831.db2.gz MXKQZEPJBCNALV-HSZRJFAPSA-N 0 1 395.503 3.850 20 5 GHBDMN COc1cc(CN2CCSCC[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000502833529 846527488 /nfs/dbraw/zinc/52/74/88/846527488.db2.gz MMIJWUGTJKBWQK-NSHDSACASA-N 0 1 376.425 3.575 20 5 GHBDMN COc1ccc(CC2CCN(C(=O)c3n[nH]c(C(C)C)c3[N+](=O)[O-])CC2)cc1 ZINC000434190482 847478272 /nfs/dbraw/zinc/47/82/72/847478272.db2.gz INZMOIKYKAQEJL-UHFFFAOYSA-N 0 1 386.452 3.545 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@H]1Cc1ccc(C)cc1 ZINC000303588922 861802675 /nfs/dbraw/zinc/80/26/75/861802675.db2.gz LYPYHDJXQBFMAZ-QGZVFWFLSA-N 0 1 383.448 3.557 20 5 GHBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@H](c2ccncc2)C1 ZINC000289338535 847838724 /nfs/dbraw/zinc/83/87/24/847838724.db2.gz LOMPUCIHCPKZTG-YOEHRIQHSA-N 0 1 379.420 3.980 20 5 GHBDMN Cc1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2ccc3c(c2)OCCCO3)cc1[N+](=O)[O-] ZINC000178690675 848542022 /nfs/dbraw/zinc/54/20/22/848542022.db2.gz XFDGNAKDRMJYGW-CABCVRRESA-N 0 1 399.447 3.742 20 5 GHBDMN Cc1ccc([C@H](C)N[C@H](C)C(=O)NCc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000178689952 848549280 /nfs/dbraw/zinc/54/92/80/848549280.db2.gz PNMYWNSQTKHTJK-UONOGXRCSA-N 0 1 375.856 3.912 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000161537253 848650465 /nfs/dbraw/zinc/65/04/65/848650465.db2.gz HYSCYYKYHSGMRH-LSDHHAIUSA-N 0 1 391.493 3.565 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000161537387 848650645 /nfs/dbraw/zinc/65/06/45/848650645.db2.gz HYSCYYKYHSGMRH-GJZGRUSLSA-N 0 1 391.493 3.565 20 5 GHBDMN CC1(C)C[C@H](NCC(=O)N[C@H]2CCOc3ccccc32)c2cc([N+](=O)[O-])ccc21 ZINC000503904796 849751748 /nfs/dbraw/zinc/75/17/48/849751748.db2.gz UKIGDZBCALUQHY-OALUTQOASA-N 0 1 395.459 3.547 20 5 GHBDMN O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000504566409 850151331 /nfs/dbraw/zinc/15/13/31/850151331.db2.gz RKUBGGJKUSFQLZ-QGZVFWFLSA-N 0 1 375.375 3.691 20 5 GHBDMN COCc1cc(Cl)ccc1NS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000424078787 850191901 /nfs/dbraw/zinc/19/19/01/850191901.db2.gz FBPSKLZLTXHBEV-UHFFFAOYSA-N 0 1 384.841 3.812 20 5 GHBDMN CC[C@H](N[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(OC)c(OC)c1 ZINC000506668204 850336781 /nfs/dbraw/zinc/33/67/81/850336781.db2.gz HFQKCJKBRKKVOJ-HIFRSBDPSA-N 0 1 387.436 3.680 20 5 GHBDMN Cc1c(Br)cc([N+](=O)[O-])cc1-c1nc(C2(N)CCCCC2)no1 ZINC000424346537 850402939 /nfs/dbraw/zinc/40/29/39/850402939.db2.gz PELBIXOKTPNHDO-UHFFFAOYSA-N 0 1 381.230 3.834 20 5 GHBDMN O=C(Nc1ccc(OCc2ccccn2)c(F)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000506725796 850627869 /nfs/dbraw/zinc/62/78/69/850627869.db2.gz RIOZHHBRYOFHQO-UHFFFAOYSA-N 0 1 383.335 3.666 20 5 GHBDMN Cc1cc(N2CCN(Cc3ccccc3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000555889705 862151863 /nfs/dbraw/zinc/15/18/63/862151863.db2.gz IDEQIIPQDBSOOM-UHFFFAOYSA-N 0 1 389.459 3.682 20 5 GHBDMN CCO[C@@H]1C[C@@H](N(C)C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C12CCCCC2 ZINC000434246310 850925016 /nfs/dbraw/zinc/92/50/16/850925016.db2.gz RQBHHAOUKJGPNN-ZIAGYGMSSA-N 0 1 378.473 3.641 20 5 GHBDMN Cc1cc(Br)ccc1CN(C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000434345584 850999933 /nfs/dbraw/zinc/99/99/33/850999933.db2.gz AWLSFSPOIAZENT-UHFFFAOYSA-N 0 1 379.210 3.644 20 5 GHBDMN C[C@@]1(CCc2ccccc2)CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000434570238 851272341 /nfs/dbraw/zinc/27/23/41/851272341.db2.gz QNJIOONDYMWHHD-OAQYLSRUSA-N 0 1 378.432 3.956 20 5 GHBDMN O=C([O-])CC[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C1CCOCC1 ZINC000519534857 851341478 /nfs/dbraw/zinc/34/14/78/851341478.db2.gz AWXQVXICZHSTPE-UHFFFAOYSA-N 0 1 390.461 3.779 20 5 GHBDMN COc1ccc(F)cc1-c1csc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)n1 ZINC000505778518 851358447 /nfs/dbraw/zinc/35/84/47/851358447.db2.gz SUESBAHABMCACC-UHFFFAOYSA-N 0 1 389.364 3.824 20 5 GHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[C@@H]1Cc1c(F)cccc1Cl ZINC000505804922 851545036 /nfs/dbraw/zinc/54/50/36/851545036.db2.gz IVTUMZMVZGJJMQ-GFCCVEGCSA-N 0 1 378.787 3.940 20 5 GHBDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n[nH]1 ZINC000489175994 852086545 /nfs/dbraw/zinc/08/65/45/852086545.db2.gz JMPWBQBJVPEMRG-DTWKUNHWSA-N 0 1 385.346 3.736 20 5 GHBDMN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)c1nc2ccc(Cl)cc2[nH]1 ZINC000732544658 862334274 /nfs/dbraw/zinc/33/42/74/862334274.db2.gz RQWMDNIMZXOLTQ-SNVBAGLBSA-N 0 1 387.827 3.682 20 5 GHBDMN O=C([O-])Cc1ccccc1C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000426678214 852278220 /nfs/dbraw/zinc/27/82/20/852278220.db2.gz BGRNPVRVFJALAU-UHFFFAOYSA-N 0 1 383.429 3.635 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(C(=O)C(C)(C)C)cc1 ZINC000426002607 852400140 /nfs/dbraw/zinc/40/01/40/852400140.db2.gz GQRHWDYCJOVNMD-UHFFFAOYSA-N 0 1 376.434 3.933 20 5 GHBDMN O=[N+]([O-])c1cccc([C@H](NC[C@@H](O)COc2ccc(F)cc2)c2ccccc2)c1 ZINC000490112808 852760320 /nfs/dbraw/zinc/76/03/20/852760320.db2.gz LNXGZHVKLHDTTA-IFMALSPDSA-N 0 1 396.418 3.853 20 5 GHBDMN CO[C@H]1C[C@H](N[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)C1 ZINC000600614034 862413256 /nfs/dbraw/zinc/41/32/56/862413256.db2.gz FUUWEULXAMRTBH-DDUZABMNSA-N 0 1 389.839 3.695 20 5 GHBDMN O=C(Cc1cc(Cl)ccc1Cl)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000490395911 852985223 /nfs/dbraw/zinc/98/52/23/852985223.db2.gz GUBQVRNZWFGQQK-UHFFFAOYSA-N 0 1 392.202 3.868 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2nc(CNC[C@@]3(CO)C[C@@H]3c3ccccc3)cs2)c1 ZINC000519610111 853033920 /nfs/dbraw/zinc/03/39/20/853033920.db2.gz HWAARZCCJBYVBC-TZIWHRDSSA-N 0 1 395.484 3.974 20 5 GHBDMN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000438952370 853124825 /nfs/dbraw/zinc/12/48/25/853124825.db2.gz XOVPPRYMSDCTNL-WMLDXEAASA-N 0 1 387.867 3.807 20 5 GHBDMN C[C@H]1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000437480265 853184603 /nfs/dbraw/zinc/18/46/03/853184603.db2.gz XVXKUJPCDPIKHI-KRWDZBQOSA-N 0 1 399.516 3.810 20 5 GHBDMN CCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(=O)Nc1c(C)cccc1C ZINC000163488244 862436512 /nfs/dbraw/zinc/43/65/12/862436512.db2.gz OMVDUPJBHHYJIT-UHFFFAOYSA-N 0 1 398.463 3.501 20 5 GHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC000517038074 853288287 /nfs/dbraw/zinc/28/82/87/853288287.db2.gz QQGDKRZLXZRLDG-SZVBFZGTSA-N 0 1 376.416 3.879 20 5 GHBDMN O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CCc2nc[nH]c2[C@@H]1c1ccccc1 ZINC000913510887 853422410 /nfs/dbraw/zinc/42/24/10/853422410.db2.gz NBNJTORFZXIJJC-UEXGIBASSA-N 0 1 388.427 3.596 20 5 GHBDMN O=C(Nc1ccc2c(c1)N(CC(F)F)CCS2)c1cc(O)cc([N+](=O)[O-])c1 ZINC000586833381 853574709 /nfs/dbraw/zinc/57/47/09/853574709.db2.gz WDIUSTJDOMQZQH-UHFFFAOYSA-N 0 1 395.387 3.730 20 5 GHBDMN O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000055415894 853906937 /nfs/dbraw/zinc/90/69/37/853906937.db2.gz CMGCZGFQALWAEN-SFHVURJKSA-N 0 1 382.420 3.626 20 5 GHBDMN Cc1nc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)n[nH]1 ZINC000588072552 854094665 /nfs/dbraw/zinc/09/46/65/854094665.db2.gz JMFJQPIUJJMKPA-SNVBAGLBSA-N 0 1 375.454 3.547 20 5 GHBDMN O=[N+]([O-])c1cc(I)cc(CNC2(c3ccccc3)CC2)c1 ZINC000589259012 854764051 /nfs/dbraw/zinc/76/40/51/854764051.db2.gz SGAALUBXPISRJZ-UHFFFAOYSA-N 0 1 394.212 3.978 20 5 GHBDMN COc1cccc([C@@H]2[C@@H](NC(=O)c3ccc(C)c([N+](=O)[O-])c3)CCN2C2CC2)c1 ZINC000482049040 862641402 /nfs/dbraw/zinc/64/14/02/862641402.db2.gz ZIVDUWWCFYFBIW-PZJWPPBQSA-N 0 1 395.459 3.620 20 5 GHBDMN O=c1ccc([N+](=O)[O-])cn1CC[N@@H+](Cc1ccccc1Cl)C1CCCC1 ZINC000536376576 855204038 /nfs/dbraw/zinc/20/40/38/855204038.db2.gz ACGUFIMCAZGVOP-UHFFFAOYSA-N 0 1 375.856 3.855 20 5 GHBDMN O=c1ccc([N+](=O)[O-])cn1CCN(Cc1ccccc1Cl)C1CCCC1 ZINC000536376576 855204045 /nfs/dbraw/zinc/20/40/45/855204045.db2.gz ACGUFIMCAZGVOP-UHFFFAOYSA-N 0 1 375.856 3.855 20 5 GHBDMN CCc1ccc(C(=O)Nc2nc(-c3ccc4ccccc4n3)n[nH]2)cc1[N+](=O)[O-] ZINC000590556743 855475358 /nfs/dbraw/zinc/47/53/58/855475358.db2.gz OQADZUXTPCACRM-UHFFFAOYSA-N 0 1 388.387 3.743 20 5 GHBDMN COC(=O)c1c(Cl)c(N[C@@H]2CCN(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000590568415 855493370 /nfs/dbraw/zinc/49/33/70/855493370.db2.gz FRUSZERAWXAUMZ-CQSZACIVSA-N 0 1 389.839 3.721 20 5 GHBDMN C[C@@H]1CC[C@@H](C(F)(F)F)CN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000590715753 855558708 /nfs/dbraw/zinc/55/87/08/855558708.db2.gz XSAAUFLQAOOIGF-ZYHUDNBSSA-N 0 1 382.342 3.788 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2noc(CN3CCCC[C@@H]3[C@@H]3CCCC[C@@H]3O)n2)c1 ZINC000280991840 862781586 /nfs/dbraw/zinc/78/15/86/862781586.db2.gz LWUVWIAKONEVHA-KSZLIROESA-N 0 1 386.452 3.550 20 5 GHBDMN O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3cc(Cl)cc4cccnc43)C2)nc1 ZINC000172358622 856409865 /nfs/dbraw/zinc/40/98/65/856409865.db2.gz IQGPUZLBRIUPRJ-MRXNPFEDSA-N 0 1 383.839 3.878 20 5 GHBDMN Cc1cccc(C(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)c1[N+](=O)[O-] ZINC000184835129 856454012 /nfs/dbraw/zinc/45/40/12/856454012.db2.gz RIKSWYNIMFOBKH-INIZCTEOSA-N 0 1 395.381 3.955 20 5 GHBDMN Cc1ccc(C)c([C@H]2CN(C(=O)c3[nH]nc4ccc([N+](=O)[O-])cc43)[C@H](C)CO2)c1 ZINC000172729536 856580231 /nfs/dbraw/zinc/58/02/31/856580231.db2.gz WCBAAFHHVVISRX-AUUYWEPGSA-N 0 1 394.431 3.690 20 5 GHBDMN CCC[C@@H](NC(=O)c1ccc(SCCC(C)C)c([N+](=O)[O-])c1)c1nn[nH]n1 ZINC000467652746 856667508 /nfs/dbraw/zinc/66/75/08/856667508.db2.gz GHKQXHURCCWRRE-CYBMUJFWSA-N 0 1 392.485 3.517 20 5 GHBDMN C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3ccc4[nH]nnc4c3)cc2[N+](=O)[O-])C1 ZINC000508001395 856787236 /nfs/dbraw/zinc/78/72/36/856787236.db2.gz QNVMKIZLLJSQFV-STQMWFEESA-N 0 1 394.435 3.601 20 5 GHBDMN CC[C@@H](C)c1nc([C@H](C)NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)n[nH]1 ZINC000486241610 857566234 /nfs/dbraw/zinc/56/62/34/857566234.db2.gz FTILARKBSDSAQE-BDAKNGLRSA-N 0 1 398.370 3.711 20 5 GHBDMN CC[C@@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1c1cc(C)c([N+](=O)[O-])cn1 ZINC000301764889 857591054 /nfs/dbraw/zinc/59/10/54/857591054.db2.gz CTRXEIKUBYXLNT-QRWLVFNGSA-N 0 1 383.496 3.739 20 5 GHBDMN CCc1cccc(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1 ZINC000521279132 857808537 /nfs/dbraw/zinc/80/85/37/857808537.db2.gz UHPVEIQNCPPBQK-UHFFFAOYSA-N 0 1 385.239 3.721 20 5 GHBDMN CCCc1[nH]nc(C(=O)N(CC)Cc2cccc(Br)c2)c1[N+](=O)[O-] ZINC000482364463 862999865 /nfs/dbraw/zinc/99/98/65/862999865.db2.gz JTCNUGKJBLACTD-UHFFFAOYSA-N 0 1 395.257 3.695 20 5 GHBDMN CCOc1ccc([C@@H](C)N[C@H]2CCCN(C3CCCCC3)C2=O)cc1[N+](=O)[O-] ZINC000443096985 858375872 /nfs/dbraw/zinc/37/58/72/858375872.db2.gz VQWQRQFIXSACBE-QAPCUYQASA-N 0 1 389.496 3.968 20 5 GHBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000575087583 858578993 /nfs/dbraw/zinc/57/89/93/858578993.db2.gz ATTDYDUGRSKFPG-QGZVFWFLSA-N 0 1 382.338 3.893 20 5 GHBDMN COc1cc(CN2CC[C@]3(C2)CCc2ccccc2O3)c([N+](=O)[O-])cc1OC ZINC000575170293 858614219 /nfs/dbraw/zinc/61/42/19/858614219.db2.gz CIKLHDJQHLYHEM-NRFANRHFSA-N 0 1 384.432 3.582 20 5 GHBDMN CC(C)CN(CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCCc2cccnc21 ZINC000126942921 858641856 /nfs/dbraw/zinc/64/18/56/858641856.db2.gz TUDIFXNJXHIYLI-IBGZPJMESA-N 0 1 382.464 3.964 20 5 GHBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000595789327 858687907 /nfs/dbraw/zinc/68/79/07/858687907.db2.gz LYCWRSNFXPJBKU-KYJSFNMBSA-N 0 1 386.452 3.987 20 5 GHBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000595789332 858689121 /nfs/dbraw/zinc/68/91/21/858689121.db2.gz LYCWRSNFXPJBKU-UWWQBHOKSA-N 0 1 386.452 3.987 20 5 GHBDMN CC(C)c1ccc(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c(O)c(=O)c1 ZINC000596211879 858817083 /nfs/dbraw/zinc/81/70/83/858817083.db2.gz GCUIKTFVGVNVCZ-UHFFFAOYSA-N 0 1 398.459 3.827 20 5 GHBDMN COc1cccc([C@@H]2[C@@H](NC(=O)c3cc(C)cc([N+](=O)[O-])c3)CCN2C2CC2)c1 ZINC000482827258 858887785 /nfs/dbraw/zinc/88/77/85/858887785.db2.gz QVJQIPXKKVXVER-LEWJYISDSA-N 0 1 395.459 3.620 20 5 GHBDMN CC(C)c1ccc([C@@H](C)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000543598141 858917950 /nfs/dbraw/zinc/91/79/50/858917950.db2.gz ZPHYBBWLTHIVCA-OAHLLOKOSA-N 0 1 376.478 3.843 20 5 GHBDMN COc1ccc(C[C@@H](C)N2CCC[C@H](NC(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC001170327207 881364896 /nfs/dbraw/zinc/36/48/96/881364896.db2.gz FRQHJARBHCHYFY-ZBFHGGJFSA-N 0 1 393.484 3.524 20 5 GHBDMN O=C(NC[C@@H]1CCN1Cc1ccccc1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000596955000 859193563 /nfs/dbraw/zinc/19/35/63/859193563.db2.gz OHJFRXRRVDZCLR-NRFANRHFSA-N 0 1 394.475 3.543 20 5 GHBDMN COc1ccc(C[C@@H](C)n2cncc2CNCc2ccccc2)c([N+](=O)[O-])c1 ZINC001170354918 881393380 /nfs/dbraw/zinc/39/33/80/881393380.db2.gz RTTUWRWCHBIIFW-MRXNPFEDSA-N 0 1 380.448 3.893 20 5 GHBDMN CCOC(=O)[C@@]1(C)CCC[C@@H]1NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000597237423 859369831 /nfs/dbraw/zinc/36/98/31/859369831.db2.gz BEPHVRBKSAVBGA-LPHOPBHVSA-N 0 1 389.477 3.930 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2noc(CSc3nc(-c4ccccc4F)n[nH]3)n2)c1 ZINC000031839688 881439669 /nfs/dbraw/zinc/43/96/69/881439669.db2.gz VGMZYTOMLCVHNW-UHFFFAOYSA-N 0 1 398.379 3.861 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2nc(CN3C[C@@H]4CN(c5ccccc5)C[C@@H]4C3)co2)cc1 ZINC000611170527 859633338 /nfs/dbraw/zinc/63/33/38/859633338.db2.gz WRTNMMIIMXDUDJ-HDICACEKSA-N 0 1 390.443 3.818 20 5 GHBDMN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H]1COc2c1cccc2Cl ZINC000611336796 859712919 /nfs/dbraw/zinc/71/29/19/859712919.db2.gz KGMDOUSKCMAZTP-BZNIZROVSA-N 0 1 375.812 3.689 20 5 GHBDMN Cc1ccc(CN2CCSCC2)cc1NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000602249063 859893123 /nfs/dbraw/zinc/89/31/23/859893123.db2.gz JFXSQIMHOZTKLA-UHFFFAOYSA-N 0 1 389.452 3.843 20 5 GHBDMN COC(=O)COc1ccc(CNC(C)(C)c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000474373892 859948361 /nfs/dbraw/zinc/94/83/61/859948361.db2.gz NVBTZZBLAYJLDB-UHFFFAOYSA-N 0 1 392.839 3.825 20 5 GHBDMN COC(=O)c1cc(CN(C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)oc1C ZINC000154126711 859997623 /nfs/dbraw/zinc/99/76/23/859997623.db2.gz GFIMDDIUXHMILK-UHFFFAOYSA-N 0 1 399.403 3.612 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N2CCc3nc(-c4ccccc4)sc3C2)c1[N+](=O)[O-] ZINC000598113923 860058849 /nfs/dbraw/zinc/05/88/49/860058849.db2.gz CHYLFTLFWIBLDF-UHFFFAOYSA-N 0 1 397.460 3.763 20 5 GHBDMN Cn1cc(CN[C@H](c2ccc(Br)cc2)C2CCC2)c([N+](=O)[O-])n1 ZINC000602803410 860288646 /nfs/dbraw/zinc/28/86/46/860288646.db2.gz ZENGMDOMKXOCER-HNNXBMFYSA-N 0 1 379.258 3.722 20 5 GHBDMN Cc1ccc([C@H](C)N[C@H]2CCN(c3c(F)cccc3F)C2=O)cc1[N+](=O)[O-] ZINC000124704825 860474900 /nfs/dbraw/zinc/47/49/00/860474900.db2.gz XJAVWNHEJXKUMY-LRDDRELGSA-N 0 1 375.375 3.638 20 5 GHBDMN COc1ccc([C@@H]2C[C@H]2CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1 ZINC000598681481 860500501 /nfs/dbraw/zinc/50/05/01/860500501.db2.gz MPKGVGNEASMRCY-YOEHRIQHSA-N 0 1 393.403 3.521 20 5 GHBDMN COc1cc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2C)ccc1[N+](=O)[O-] ZINC000125085954 860577185 /nfs/dbraw/zinc/57/71/85/860577185.db2.gz BRXWMYGRSRIZDZ-UHFFFAOYSA-N 0 1 390.339 3.731 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2nc(CNC[C@@H]3CCC4(CCOCC4)O3)cs2)c1 ZINC000922808184 860632256 /nfs/dbraw/zinc/63/22/56/860632256.db2.gz HYMAFTPKKWTDQE-KRWDZBQOSA-N 0 1 389.477 3.536 20 5 GHBDMN Cc1c(C[N@H+](C)[C@@H](CO)c2cccc(Br)c2)cccc1[N+](=O)[O-] ZINC000125543103 860700738 /nfs/dbraw/zinc/70/07/38/860700738.db2.gz PPLAYKZHMHWJIK-KRWDZBQOSA-N 0 1 379.254 3.831 20 5 GHBDMN Cc1c(CN(C)[C@@H](CO)c2cccc(Br)c2)cccc1[N+](=O)[O-] ZINC000125543103 860700749 /nfs/dbraw/zinc/70/07/49/860700749.db2.gz PPLAYKZHMHWJIK-KRWDZBQOSA-N 0 1 379.254 3.831 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H](C)c1ccc(Br)cc1 ZINC000192851910 860909586 /nfs/dbraw/zinc/90/95/86/860909586.db2.gz RDQBAEQUVQMGEQ-GFCCVEGCSA-N 0 1 392.253 3.955 20 5 GHBDMN Cc1ccc(CC[N@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@@H]2CCCO2)cc1 ZINC000593738793 861119392 /nfs/dbraw/zinc/11/93/92/861119392.db2.gz YVKSAWDCYHAHTK-FQEVSTJZSA-N 0 1 398.459 3.825 20 5 GHBDMN CCc1[nH]nc(C(=O)N(Cc2cccc(C(F)(F)F)c2)C(C)C)c1[N+](=O)[O-] ZINC000444043518 863217098 /nfs/dbraw/zinc/21/70/98/863217098.db2.gz NGOIZTYNDLQXNC-UHFFFAOYSA-N 0 1 384.358 3.950 20 5 GHBDMN C[C@@H]1SCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000522835199 863518444 /nfs/dbraw/zinc/51/84/44/863518444.db2.gz NOFADVNBOXNXLZ-QKYXUNIQSA-N 0 1 388.489 3.513 20 5 GHBDMN CC(=O)c1ccc(O)c(NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)c1 ZINC000444293594 863843663 /nfs/dbraw/zinc/84/36/63/863843663.db2.gz WUKFCWUFJCMUPF-UHFFFAOYSA-N 0 1 390.370 3.981 20 5 GHBDMN COc1ccccc1C[C@H]1CCCN1Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000172898806 864095492 /nfs/dbraw/zinc/09/54/92/864095492.db2.gz YRKCAFASKZLKBX-GOSISDBHSA-N 0 1 393.447 3.527 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H](Cc1ccccc1)C(=O)N1CCCC1 ZINC000131057914 864100502 /nfs/dbraw/zinc/10/05/02/864100502.db2.gz KDQADKCXIPWGJJ-LAUBAEHRSA-N 0 1 381.476 3.788 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2ncn(CN3CC[C@@H](CSc4ccccc4)C3)n2)c1 ZINC000173402927 864714964 /nfs/dbraw/zinc/71/49/64/864714964.db2.gz VIYQSZSXMCXLIK-MRXNPFEDSA-N 0 1 395.488 3.925 20 5 GHBDMN CC(C)n1cc2cc(NS(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)ccc2n1 ZINC000736421631 865202556 /nfs/dbraw/zinc/20/25/56/865202556.db2.gz YUKDYXCDADNLAR-UHFFFAOYSA-N 0 1 394.840 3.980 20 5 GHBDMN Cc1cc(N(C)Cc2cn(C)nc2C(F)(F)F)c2cc([N+](=O)[O-])ccc2n1 ZINC000302098786 865711076 /nfs/dbraw/zinc/71/10/76/865711076.db2.gz UETVNEJNNXJEDD-UHFFFAOYSA-N 0 1 379.342 3.840 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N2CCCC[C@@H]2c2nc3ccccc3[nH]2)c1[N+](=O)[O-] ZINC000456630280 866093443 /nfs/dbraw/zinc/09/34/43/866093443.db2.gz BLOVVBIEDJWCGN-CQSZACIVSA-N 0 1 382.424 3.685 20 5 GHBDMN C[C@H](NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)N1Cc2ccccc2C1 ZINC000475511558 866134087 /nfs/dbraw/zinc/13/40/87/866134087.db2.gz SPRXIXBLWPEXQA-HNNXBMFYSA-N 0 1 391.427 3.875 20 5 GHBDMN COC(=O)COc1ccc(CN2CCC[C@H]2c2cccc(C)c2)cc1[N+](=O)[O-] ZINC000475553693 866263533 /nfs/dbraw/zinc/26/35/33/866263533.db2.gz PIKKOQCPYYLIGE-SFHVURJKSA-N 0 1 384.432 3.792 20 5 GHBDMN CSc1cccc(C(=O)N2CCN(Cc3ccccc3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000456334034 866492039 /nfs/dbraw/zinc/49/20/39/866492039.db2.gz LWWXYZCODYTLGQ-INIZCTEOSA-N 0 1 399.516 3.911 20 5 GHBDMN CN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000444690795 867071462 /nfs/dbraw/zinc/07/14/62/867071462.db2.gz VNGVNLOJLREKGK-HNAYVOBHSA-N 0 1 384.411 3.962 20 5 GHBDMN Cc1[nH]nc(C(=O)Nc2ccc3nc(-c4cc(F)ccc4F)[nH]c3c2)c1[N+](=O)[O-] ZINC000523352314 867112433 /nfs/dbraw/zinc/11/24/33/867112433.db2.gz HCRVOFULCOPZAR-UHFFFAOYSA-N 0 1 398.329 3.700 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2nc(CNCCc3ccccc3[N+](=O)[O-])cs2)c1 ZINC000742379872 867272198 /nfs/dbraw/zinc/27/21/98/867272198.db2.gz CXCDZWPGJAOEID-UHFFFAOYSA-N 0 1 384.417 3.959 20 5 GHBDMN CC1(C)CN(c2ncnc3sc([N+](=O)[O-])cc32)CC[N@H+]1Cc1ccccc1 ZINC000553374165 867286120 /nfs/dbraw/zinc/28/61/20/867286120.db2.gz FFJUFNBNUPOUHQ-UHFFFAOYSA-N 0 1 383.477 3.700 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCO[C@H](CCc2ccccc2)C1 ZINC000542628324 867508164 /nfs/dbraw/zinc/50/81/64/867508164.db2.gz PWFJHVUDTJXWMV-HXUWFJFHSA-N 0 1 397.475 3.565 20 5 GHBDMN CN(C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)c1ccc(Cl)cc1 ZINC000535023312 867982864 /nfs/dbraw/zinc/98/28/64/867982864.db2.gz OGKCCCZFNQNLTH-SFHVURJKSA-N 0 1 398.850 3.829 20 5 GHBDMN Cc1ccc(CCN(C[C@@H]2CCCO2)Cn2ncc3cc([N+](=O)[O-])ccc32)cc1 ZINC000743389956 868144719 /nfs/dbraw/zinc/14/47/19/868144719.db2.gz YLIBENUZTONPDR-NRFANRHFSA-N 0 1 394.475 3.934 20 5 GHBDMN O=C(CNc1ccccc1[N+](=O)[O-])N1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000440736657 868350573 /nfs/dbraw/zinc/35/05/73/868350573.db2.gz QOOPKUAJMDPMGF-KRWDZBQOSA-N 0 1 399.838 3.900 20 5 GHBDMN CCc1[nH]nc(C(=O)N(C)[C@@H](C)Cc2ccccc2C(F)(F)F)c1[N+](=O)[O-] ZINC000554125057 868791001 /nfs/dbraw/zinc/79/10/01/868791001.db2.gz RISAZSDRGDSDRN-JTQLQIEISA-N 0 1 384.358 3.602 20 5 GHBDMN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(CC[C@@H]2CCCCO2)CC1 ZINC000544410053 869467117 /nfs/dbraw/zinc/46/71/17/869467117.db2.gz RUHZQPBCKCSXFN-HNNXBMFYSA-N 0 1 387.402 3.695 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCCc1ccccc1F ZINC000462464569 869476133 /nfs/dbraw/zinc/47/61/33/869476133.db2.gz PPVRCWBUTZFDEX-UHFFFAOYSA-N 0 1 393.223 3.562 20 5 GHBDMN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1n[nH]c(CC)n1 ZINC000539706417 869632189 /nfs/dbraw/zinc/63/21/89/869632189.db2.gz NQTWDAGYAWZSHW-LLVKDONJSA-N 0 1 377.470 3.659 20 5 GHBDMN CSc1ccc(OC[C@H](O)CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC001192929093 870793851 /nfs/dbraw/zinc/79/38/51/870793851.db2.gz MRAJMZHPGQSQNH-GOSISDBHSA-N 0 1 388.489 3.721 20 5 GHBDMN C[C@H](N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccccc1OC(F)F ZINC000540344655 871074635 /nfs/dbraw/zinc/07/46/35/871074635.db2.gz DAEJSODNOVYZKQ-BLLLJJGKSA-N 0 1 391.374 3.652 20 5 GHBDMN CCC[C@H](NCc1cccc(NS(C)(=O)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000539075292 871265054 /nfs/dbraw/zinc/26/50/54/871265054.db2.gz BQBNKWFPLRQWDF-SFHVURJKSA-N 0 1 377.466 3.597 20 5 GHBDMN CCN(C)[C@H](C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 ZINC000525729215 871306414 /nfs/dbraw/zinc/30/64/14/871306414.db2.gz POEYHTTZAHJGED-NRFANRHFSA-N 0 1 397.475 3.658 20 5 GHBDMN CC(C)[C@@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1F ZINC000181646822 871331937 /nfs/dbraw/zinc/33/19/37/871331937.db2.gz HHAKDCLZBXWOJV-LJQANCHMSA-N 0 1 377.391 3.823 20 5 GHBDMN COc1ccccc1[C@H](CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-])N1CCCC1 ZINC000804326075 871505727 /nfs/dbraw/zinc/50/57/27/871505727.db2.gz FRZKWBFYZZCRJI-KRWDZBQOSA-N 0 1 386.408 3.761 20 5 GHBDMN Cc1ccc([C@@H](C)NCC(=O)NCCc2nc3ccccc3s2)cc1[N+](=O)[O-] ZINC000181824847 871525109 /nfs/dbraw/zinc/52/51/09/871525109.db2.gz IZEMDWUZMLNSGW-CQSZACIVSA-N 0 1 398.488 3.522 20 5 GHBDMN Cc1ccc([C@H](C)NCC(=O)Nc2nc(-c3ccco3)cs2)cc1[N+](=O)[O-] ZINC000181829578 871526779 /nfs/dbraw/zinc/52/67/79/871526779.db2.gz PUOIBUIJFJEVIX-LBPRGKRZSA-N 0 1 386.433 3.909 20 5 GHBDMN COc1ccc([C@@H](NC(=O)CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C2CC2)cc1 ZINC000181841134 871536835 /nfs/dbraw/zinc/53/68/35/871536835.db2.gz ZZIMFFBYRZHWBE-QRQCRPRQSA-N 0 1 397.475 3.830 20 5 GHBDMN COc1cc(C(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)sc1Br ZINC000121359588 871693228 /nfs/dbraw/zinc/69/32/28/871693228.db2.gz QYPLEVGFQYYEBB-UHFFFAOYSA-N 0 1 393.165 3.958 20 5 GHBDMN Cc1ccc([C@H](C)NC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000462204239 871806449 /nfs/dbraw/zinc/80/64/49/871806449.db2.gz PZIWCHHPHNXQFC-FUHIMQAGSA-N 0 1 396.491 3.784 20 5 GHBDMN CCN(CC)Cc1ccc(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)o1 ZINC000618744326 871910184 /nfs/dbraw/zinc/91/01/84/871910184.db2.gz URJTWTGWIBODNK-UHFFFAOYSA-N 0 1 399.369 3.978 20 5 GHBDMN Cc1ccc([C@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)c2ccccn2)cc1 ZINC000526940691 872341408 /nfs/dbraw/zinc/34/14/08/872341408.db2.gz KHPBLCUBFCVNTP-IBGZPJMESA-N 0 1 387.399 3.694 20 5 GHBDMN COC(=O)[C@]12CN(Cc3ccc(Br)cc3[N+](=O)[O-])C[C@H]1CCCC2 ZINC001195613980 872538693 /nfs/dbraw/zinc/53/86/93/872538693.db2.gz PVWXJANHAKVIEN-CXAGYDPISA-N 0 1 397.269 3.523 20 5 GHBDMN O=C(Nc1ccccc1)[C@@H](NCCOc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000552487425 872743660 /nfs/dbraw/zinc/74/36/60/872743660.db2.gz MLDHRONGIPGGJE-NRFANRHFSA-N 0 1 391.427 3.943 20 5 GHBDMN CN(C)Cc1cc(NCc2cc3c(cc2[N+](=O)[O-])OCCO3)ccc1Cl ZINC000619599566 872792893 /nfs/dbraw/zinc/79/28/93/872792893.db2.gz IULUCNKTAOHCQM-UHFFFAOYSA-N 0 1 377.828 3.693 20 5 GHBDMN Cc1ccc(-c2n[nH]cc2CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000768148874 873093778 /nfs/dbraw/zinc/09/37/78/873093778.db2.gz ANPHTGRYOXTMCM-UHFFFAOYSA-N 0 1 377.448 3.616 20 5 GHBDMN CC(C)c1ccc(C(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)cc1[N+](=O)[O-] ZINC000527379354 873118615 /nfs/dbraw/zinc/11/86/15/873118615.db2.gz VVFCRGFVDMBIRE-UHFFFAOYSA-N 0 1 383.383 3.572 20 5 GHBDMN CC(C)c1ccc(C(=O)NCc2n[nH]c(-c3ccc(F)cc3)n2)cc1[N+](=O)[O-] ZINC000527379354 873118623 /nfs/dbraw/zinc/11/86/23/873118623.db2.gz VVFCRGFVDMBIRE-UHFFFAOYSA-N 0 1 383.383 3.572 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1CN1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000023009028 873272477 /nfs/dbraw/zinc/27/24/77/873272477.db2.gz UVFWLMKGWIPMON-UHFFFAOYSA-N 0 1 389.883 3.965 20 5 GHBDMN C[C@@H](N[C@H]1CC2(CCC2)Oc2ccccc21)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001197673187 873962279 /nfs/dbraw/zinc/96/22/79/873962279.db2.gz WCPAMIWIRSIDST-KDOFPFPSSA-N 0 1 381.432 3.958 20 5 GHBDMN CC(C)(C)OC(=O)NCc1cccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1 ZINC000770415865 874657148 /nfs/dbraw/zinc/65/71/48/874657148.db2.gz HARNICFPDQEXDW-UHFFFAOYSA-N 0 1 387.392 3.577 20 5 GHBDMN COc1ccc(CN[C@H](CCO)c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000449437695 874888668 /nfs/dbraw/zinc/88/86/68/874888668.db2.gz NAOKDCWRSZJZGT-OAHLLOKOSA-N 0 1 384.354 3.836 20 5 GHBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@H](C)c1ccc2c(c1)CC(=O)N2C ZINC000271814453 875512891 /nfs/dbraw/zinc/51/28/91/875512891.db2.gz MTEPIQJAWTZGMY-CQSZACIVSA-N 0 1 383.448 3.752 20 5 GHBDMN Cc1cccc([N+](=O)[O-])c1C(=O)OCc1nc2ccc(Br)cc2[nH]1 ZINC000776287087 876187547 /nfs/dbraw/zinc/18/75/47/876187547.db2.gz GFXSOQRRHNUJOS-UHFFFAOYSA-N 0 1 390.193 3.899 20 5 GHBDMN O=C(Nc1ccn(C2CCSCC2)n1)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001170456272 883016522 /nfs/dbraw/zinc/01/65/22/883016522.db2.gz CVCVLMZNZNBSOA-UHFFFAOYSA-N 0 1 398.448 3.502 20 5 GHBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC(Oc2cncc(Cl)n2)CC1 ZINC000787415276 877377690 /nfs/dbraw/zinc/37/76/90/877377690.db2.gz GMDHETXDEHZZKT-ZROIWOOFSA-N 0 1 388.855 3.985 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2cc(NS(=O)(=O)C=Cc3ccc(F)cc3)n[nH]2)c1 ZINC000175639806 877413434 /nfs/dbraw/zinc/41/34/34/877413434.db2.gz WBRDHSVXMMLZNP-CMDGGOBGSA-N 0 1 388.380 3.537 20 5 GHBDMN CCN(CC)[C@@H](CNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])c1ccco1 ZINC000477621022 877959154 /nfs/dbraw/zinc/95/91/54/877959154.db2.gz XQWYBWQIKOLPHZ-HNNXBMFYSA-N 0 1 379.844 3.963 20 5 GHBDMN CC(C)(C)OC(=O)N1CCC2(CCN(Cc3ccc(F)cc3[N+](=O)[O-])C2)CC1 ZINC000851890411 877961635 /nfs/dbraw/zinc/96/16/35/877961635.db2.gz BHVDYJSLPUBNOD-UHFFFAOYSA-N 0 1 393.459 3.957 20 5 GHBDMN CC(C)(C)OC(=O)[C@@H]1CN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)Cc2ccccc21 ZINC000852319163 878235697 /nfs/dbraw/zinc/23/56/97/878235697.db2.gz ZFPSMTYNDRWCAU-UXHICEINSA-N 0 1 398.459 3.569 20 5 GHBDMN COc1cc(C(=O)N2CCN(Cc3ccccc3)CC[C@@H]2C)cc([N+](=O)[O-])c1C ZINC000616360977 878789089 /nfs/dbraw/zinc/78/90/89/878789089.db2.gz WCSDORWDKYUTRW-INIZCTEOSA-N 0 1 397.475 3.648 20 5 GHBDMN C[C@@H](N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1OC(F)F ZINC000538145844 878896367 /nfs/dbraw/zinc/89/63/67/878896367.db2.gz QTIVVDSOVZMNBG-NEPJUHHUSA-N 0 1 379.363 3.874 20 5 GHBDMN CCOc1ccc([C@H](C)NCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1OC ZINC000538167144 878964676 /nfs/dbraw/zinc/96/46/76/878964676.db2.gz LBTSRQYLMPWXNV-AWEZNQCLSA-N 0 1 387.436 3.600 20 5 GHBDMN COc1cc(CN2CCC[C@]3(CCCOC3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000531103883 879135933 /nfs/dbraw/zinc/13/59/33/879135933.db2.gz UFDZQUUOKKSHDG-SFHVURJKSA-N 0 1 386.395 3.597 20 5 GHBDMN C[C@@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccncc2)cc1 ZINC000180908746 879483040 /nfs/dbraw/zinc/48/30/40/879483040.db2.gz NMRMKWYWGLBZIY-MRXNPFEDSA-N 0 1 390.443 3.970 20 5 GHBDMN CNc1nccc(C(=O)Nc2ccc3nc(-c4ccccc4)[nH]c3c2)c1[N+](=O)[O-] ZINC001183388914 912469796 /nfs/dbraw/zinc/46/97/96/912469796.db2.gz OKPOVVCFMUKQCY-UHFFFAOYSA-N 0 1 388.387 3.827 20 5 GHBDMN C[C@@H](OC(=O)COc1ccccc1[N+](=O)[O-])c1nc2ccc(Cl)cc2[nH]1 ZINC000111989118 879601026 /nfs/dbraw/zinc/60/10/26/879601026.db2.gz WIINRQLNILGWKN-SNVBAGLBSA-N 0 1 375.768 3.808 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)Nc1cccc(CN2CCC[C@@H]2C(N)=O)c1 ZINC000538552267 879702259 /nfs/dbraw/zinc/70/22/59/879702259.db2.gz UKNVQHPQQJMUTD-FOIQADDNSA-N 0 1 382.464 3.526 20 5 GHBDMN O=C(N[C@@H]1CCCc2cn[nH]c21)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000493973292 879790347 /nfs/dbraw/zinc/79/03/47/879790347.db2.gz OBWCTFJTWBQXET-LJQANCHMSA-N 0 1 391.431 3.737 20 5 GHBDMN Cc1c(CN[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)cccc1[N+](=O)[O-] ZINC000790543123 879833245 /nfs/dbraw/zinc/83/32/45/879833245.db2.gz LZZVXSJPLOTQSB-MRXNPFEDSA-N 0 1 377.803 3.591 20 5 GHBDMN CC(C)(C)S(=O)(=O)CCNCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000113344455 880520529 /nfs/dbraw/zinc/52/05/29/880520529.db2.gz CLXGQFJJINWOJS-UHFFFAOYSA-N 0 1 382.507 3.626 20 5 GHBDMN C[C@@H](C(=O)N(C)C1CCN(CCC(F)(F)F)CC1)c1cccc([N+](=O)[O-])c1 ZINC000520352591 881032417 /nfs/dbraw/zinc/03/24/17/881032417.db2.gz MLQTWZDLSQVTIH-CYBMUJFWSA-N 0 1 387.402 3.574 20 5 GHBDMN CCCCc1nc(C(=O)OCC)c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[nH]1 ZINC000792555526 881189282 /nfs/dbraw/zinc/18/92/82/881189282.db2.gz LIXHXATXYRMPLI-UHFFFAOYSA-N 0 1 394.815 3.743 20 5 GHBDMN O=C1CCCc2ccc(NS(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc21 ZINC000175013067 883184503 /nfs/dbraw/zinc/18/45/03/883184503.db2.gz CDYKGUORAJXAIM-UHFFFAOYSA-N 0 1 380.809 3.568 20 5 GHBDMN CC(C)Oc1ccccc1[C@@H](C)N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000609450964 883211412 /nfs/dbraw/zinc/21/14/12/883211412.db2.gz FBPAYPHFMDFLIB-BEFAXECRSA-N 0 1 383.448 3.838 20 5 GHBDMN Cc1ccc([C@@H](C)NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1[N+](=O)[O-] ZINC000175119267 883287864 /nfs/dbraw/zinc/28/78/64/883287864.db2.gz AUVTTWNGSGRVKO-SNVBAGLBSA-N 0 1 399.812 3.504 20 5 GHBDMN COc1ccc(CN[C@@](C)(CO)c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000609711039 883570050 /nfs/dbraw/zinc/57/00/50/883570050.db2.gz WUNBICDTWQOYQB-KRWDZBQOSA-N 0 1 384.354 3.620 20 5 GHBDMN COc1cc(CN2CC[C@H](c3cccnc3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000565598107 883677310 /nfs/dbraw/zinc/67/73/10/883677310.db2.gz QQUYOOMHLBFFDQ-AWEZNQCLSA-N 0 1 393.390 3.632 20 5 GHBDMN CC(C)([C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)c1ccc(F)c(F)c1)N1CCCC1 ZINC000486561446 884152525 /nfs/dbraw/zinc/15/25/25/884152525.db2.gz WOLUUFVNJZVLIA-KRWDZBQOSA-N 0 1 393.390 3.812 20 5 GHBDMN CCO[C@@H]1C[C@H](N[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)[C@H]1n1cccn1 ZINC000556262952 884276458 /nfs/dbraw/zinc/27/64/58/884276458.db2.gz CPTVNXFQRJKIJV-LNRXMEIDSA-N 0 1 392.459 3.889 20 5 GHBDMN Cc1ccn(-c2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)n1 ZINC000556333381 884502664 /nfs/dbraw/zinc/50/26/64/884502664.db2.gz IKSUALRYPDOEFA-UHFFFAOYSA-N 0 1 392.824 3.543 20 5 GHBDMN O=C([O-])[C@@H]1CC[N@@H+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000263448115 884884070 /nfs/dbraw/zinc/88/40/70/884884070.db2.gz YPGKUSYNXOQQSV-CYBMUJFWSA-N 0 1 376.796 3.947 20 5 GHBDMN COc1cccc(C2CCN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)CC2)c1 ZINC000194882961 885303322 /nfs/dbraw/zinc/30/33/22/885303322.db2.gz RWKGCBLASMNBJZ-UHFFFAOYSA-N 0 1 384.432 3.850 20 5 GHBDMN CC(C)CCSc1ccc(C(=O)N2CCN(C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000498711020 885428604 /nfs/dbraw/zinc/42/86/04/885428604.db2.gz RZOIKUUKXDNUCF-HNNXBMFYSA-N 0 1 379.526 3.899 20 5 GHBDMN COc1ccccc1[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C)N1CCCCC1 ZINC000498734413 885515651 /nfs/dbraw/zinc/51/56/51/885515651.db2.gz NFNCOJBSXRKPMM-HXUWFJFHSA-N 0 1 397.475 3.869 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(Cc2ccccc2)[C@@H](C(C)C)C1 ZINC001131027849 885645012 /nfs/dbraw/zinc/64/50/12/885645012.db2.gz PXJDYLKFSALLEY-OAQYLSRUSA-N 0 1 381.476 3.886 20 5 GHBDMN COc1ccc(NC(=O)CN2CCC[C@@H](c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000532517956 885916303 /nfs/dbraw/zinc/91/63/03/885916303.db2.gz HRWBQTMMLOQMLP-QGZVFWFLSA-N 0 1 383.448 3.812 20 5 GHBDMN CC1CCN([C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2F)c2cccs2)CC1 ZINC000919680717 886122319 /nfs/dbraw/zinc/12/23/19/886122319.db2.gz ITBKPGZLTNPYEB-QGZVFWFLSA-N 0 1 391.468 3.998 20 5 GHBDMN CCOCCOc1c(Cl)cccc1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000475886935 886394915 /nfs/dbraw/zinc/39/49/15/886394915.db2.gz HMWKTQYSRKWRGO-UHFFFAOYSA-N 0 1 380.784 3.621 20 5 GHBDMN C[C@@H](NCc1c(F)cc([N+](=O)[O-])cc1F)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000795987978 913136312 /nfs/dbraw/zinc/13/63/12/913136312.db2.gz FUSZHEGUZDZZPQ-CHWSQXEVSA-N 0 1 399.438 3.998 20 5 GHBDMN CN(C(=O)Nc1ccc([N+](=O)[O-])cc1F)C1CCN(CCC(F)(F)F)CC1 ZINC000454352289 888895508 /nfs/dbraw/zinc/89/55/08/888895508.db2.gz GNWQDZWJKZEHGI-UHFFFAOYSA-N 0 1 392.353 3.614 20 5 GHBDMN C[C@@H]1CCC[N@@H+](Cc2ccc([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)C1 ZINC000032932845 889180647 /nfs/dbraw/zinc/18/06/47/889180647.db2.gz RWPQRMPABVGBRX-OAHLLOKOSA-N 0 1 389.477 3.628 20 5 GHBDMN O=C(NCc1ccc(Nc2ccncc2)cc1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001168513775 889482594 /nfs/dbraw/zinc/48/25/94/889482594.db2.gz RQSKLPGXZRWSAU-UHFFFAOYSA-N 0 1 382.807 3.739 20 5 GHBDMN O=C(NCc1ccc(Nc2ccncc2)cc1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC001168514479 889543235 /nfs/dbraw/zinc/54/32/35/889543235.db2.gz YSYVSWPEXLSRDP-UHFFFAOYSA-N 0 1 387.399 3.567 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@H]3CS(=O)(=O)c4ccccc43)o2)cc1 ZINC001202527556 889813927 /nfs/dbraw/zinc/81/39/27/889813927.db2.gz BJIVFVUIXZVKSK-HNNXBMFYSA-N 0 1 398.440 3.516 20 5 GHBDMN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)c1 ZINC000154199631 890272404 /nfs/dbraw/zinc/27/24/04/890272404.db2.gz VNWGUIYQLCSNHT-PMACEKPBSA-N 0 1 390.867 3.727 20 5 GHBDMN O=C(Nc1nc2ccc(Cl)cc2[nH]1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC001133190817 890439455 /nfs/dbraw/zinc/43/94/55/890439455.db2.gz USOMJIIQFCDCHQ-UHFFFAOYSA-N 0 1 382.767 3.563 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2cnc(CCN3CCC[C@@H](OCC(F)(F)F)C3)o2)c1 ZINC000533449269 890565970 /nfs/dbraw/zinc/56/59/70/890565970.db2.gz SGEMRZWOCWMQLL-OAHLLOKOSA-N 0 1 399.369 3.836 20 5 GHBDMN C[C@@H]1C[C@H](C)C[N@H+](CCCCNc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000917075403 890973108 /nfs/dbraw/zinc/97/31/08/890973108.db2.gz MHFMWRAZPBRJBF-JNIGEABNSA-N 0 1 375.469 3.863 20 5 GHBDMN C[C@@H](N[C@@H](C)c1ccc(C(F)(F)F)nc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000871934273 891091302 /nfs/dbraw/zinc/09/13/02/891091302.db2.gz FUTLKFBFRBMIGP-WDEREUQCSA-N 0 1 382.342 3.686 20 5 GHBDMN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000872074391 891141406 /nfs/dbraw/zinc/14/14/06/891141406.db2.gz DMUVPURDSFIOSL-CHWSQXEVSA-N 0 1 392.502 3.538 20 5 GHBDMN COc1ccc(OC)c([C@H](O)[C@@H](C)N[C@H](C)c2c(F)cccc2[N+](=O)[O-])c1 ZINC000872138254 891180573 /nfs/dbraw/zinc/18/05/73/891180573.db2.gz UQOBYNYTYNGLBV-HNYWDRBLSA-N 0 1 378.400 3.524 20 5 GHBDMN COc1ccc(NC(=O)CN(C2CC2)[C@@H]2CCc3ccccc32)c([N+](=O)[O-])c1 ZINC000067712313 891736925 /nfs/dbraw/zinc/73/69/25/891736925.db2.gz VTWAVBREFITYRX-LJQANCHMSA-N 0 1 381.432 3.694 20 5 GHBDMN Cc1ccc(S(=O)(=O)C[C@H](C)N[C@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000547832078 891974322 /nfs/dbraw/zinc/97/43/22/891974322.db2.gz KHKOCAWRUWEKQC-JKSUJKDBSA-N 0 1 376.478 3.725 20 5 GHBDMN C[C@H](NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1nc(C(C)(C)C)cs1 ZINC000106893029 892409957 /nfs/dbraw/zinc/40/99/57/892409957.db2.gz LRGCDMPZIZWIJQ-VIFPVBQESA-N 0 1 387.458 3.527 20 5 GHBDMN CC(=O)Nc1ccc2c(CN[C@H](C)c3cccc([N+](=O)[O-])c3)cc(=O)oc2c1 ZINC000917938793 892854434 /nfs/dbraw/zinc/85/44/34/892854434.db2.gz NQHCLSBZHQAIQL-GFCCVEGCSA-N 0 1 381.388 3.510 20 5 GHBDMN CC(C)(C)OC(=O)N1C[C@@H]2CCN(Cc3cc(F)ccc3[N+](=O)[O-])CC[C@@H]2C1 ZINC000814676546 893053977 /nfs/dbraw/zinc/05/39/77/893053977.db2.gz SVYNORGQHMFCBE-GASCZTMLSA-N 0 1 393.459 3.813 20 5 GHBDMN O=C(c1cc(-c2cccs2)[nH]n1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000498139830 893379789 /nfs/dbraw/zinc/37/97/89/893379789.db2.gz FBQRWOBUXLBBNY-QGZVFWFLSA-N 0 1 386.458 3.934 20 5 GHBDMN COc1cccc([C@@H](C)N[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000774854879 913780003 /nfs/dbraw/zinc/78/00/03/913780003.db2.gz LAUFGOZAZVNUKF-NEPJUHHUSA-N 0 1 377.828 3.935 20 5 GHBDMN CN(C)[C@@H](CNC(=O)CCc1cc(F)ccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC001137122999 893728949 /nfs/dbraw/zinc/72/89/49/893728949.db2.gz BHKDDIRLWWCIIF-SFHVURJKSA-N 0 1 393.846 3.739 20 5 GHBDMN C[C@H](CN(C)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)OC(C)(C)C ZINC000459812018 894199532 /nfs/dbraw/zinc/19/95/32/894199532.db2.gz RKPGUFIPAZRKGI-OLZOCXBDSA-N 0 1 390.440 3.615 20 5 GHBDMN C[C@H]1CN(C(C)(C)CNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C[C@H](C)O1 ZINC000217678212 894235328 /nfs/dbraw/zinc/23/53/28/894235328.db2.gz POZZDDODVHTELV-RYUDHWBXSA-N 0 1 375.391 3.913 20 5 GHBDMN Cc1cc(C2CCN(C(=O)CCc3c(Cl)cccc3[N+](=O)[O-])CC2)n[nH]1 ZINC000935218293 894284967 /nfs/dbraw/zinc/28/49/67/894284967.db2.gz GDCDSMNSDBMZMX-UHFFFAOYSA-N 0 1 376.844 3.619 20 5 GHBDMN C[C@@H]1CC2(CN1Cc1nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o1)CCOCC2 ZINC000878770507 894593032 /nfs/dbraw/zinc/59/30/32/894593032.db2.gz YRNSEZQTEIUATO-GFCCVEGCSA-N 0 1 392.843 3.689 20 5 GHBDMN CC(C)[C@@H](CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000565037679 895361688 /nfs/dbraw/zinc/36/16/88/895361688.db2.gz AFDIRNSOYGLTTK-HXUWFJFHSA-N 0 1 383.448 3.788 20 5 GHBDMN Cc1cc(N2CC[NH+](Cc3ccc(Cl)cc3)CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000565038747 895362850 /nfs/dbraw/zinc/36/28/50/895362850.db2.gz SAULAXRJPGADHU-UHFFFAOYSA-N 0 1 389.839 3.577 20 5 GHBDMN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000821390763 897859263 /nfs/dbraw/zinc/85/92/63/897859263.db2.gz DTYGUOZYVZSGPD-AWEZNQCLSA-N 0 1 381.904 3.965 20 5 GHBDMN CCC[C@@H]1CN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC001185932029 914210836 /nfs/dbraw/zinc/21/08/36/914210836.db2.gz ZINUUGVCBZKCOX-QGZVFWFLSA-N 0 1 384.436 3.994 20 5 GHBDMN CNC(=O)CC[C@H]1CCCCN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000289631731 914273464 /nfs/dbraw/zinc/27/34/64/914273464.db2.gz MAOYYTFLMVOLEB-MRXNPFEDSA-N 0 1 388.493 3.599 20 5 GHBDMN C[C@@H](Sc1nnc(C(C)(C)C)[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000012255524 898872155 /nfs/dbraw/zinc/87/21/55/898872155.db2.gz OKJRPYDKPANRQL-MRVPVSSYSA-N 0 1 383.861 3.783 20 5 GHBDMN CC(C)(C)OC(=O)CC[C@@H]1CCCC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000823244901 898938060 /nfs/dbraw/zinc/93/80/60/898938060.db2.gz ZVABWFYJCIZXNY-WMZOPIPTSA-N 0 1 378.469 3.605 20 5 GHBDMN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])NCc1nc2ccc(F)cc2[nH]1 ZINC001136988008 899973213 /nfs/dbraw/zinc/97/32/13/899973213.db2.gz NQXINAYWGDNKGZ-UHFFFAOYSA-N 0 1 376.775 3.513 20 5 GHBDMN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(-c3ncco3)cc2)ccc1Cl ZINC000157764278 900812603 /nfs/dbraw/zinc/81/26/03/900812603.db2.gz DOYHWLPDFLXKDZ-UHFFFAOYSA-N 0 1 379.781 3.704 20 5 GHBDMN COc1cc(CN2CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000778951298 902160997 /nfs/dbraw/zinc/16/09/97/902160997.db2.gz JOZXJFKPIQPQJN-ZBFHGGJFSA-N 0 1 393.484 3.729 20 5 GHBDMN Cn1c(=O)ccc2c1CCC[C@@H]2NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000846122706 902700179 /nfs/dbraw/zinc/70/01/79/902700179.db2.gz LQCXLYGWMCRTHJ-AWEZNQCLSA-N 0 1 382.247 3.768 20 5 GHBDMN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C1CCN(C(=O)c2ccccc2)CC1 ZINC000265460715 903905199 /nfs/dbraw/zinc/90/51/99/903905199.db2.gz NBBMZJBQHPKCRV-UHFFFAOYSA-N 0 1 387.867 3.985 20 5 GHBDMN CCC[C@@H]1CN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000578895261 904209663 /nfs/dbraw/zinc/20/96/63/904209663.db2.gz LEGRYHWUKAWSKH-GOSISDBHSA-N 0 1 383.448 3.784 20 5 GHBDMN O=C(CN1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000578975903 904271505 /nfs/dbraw/zinc/27/15/05/904271505.db2.gz HZOSIUCGABSDJI-LESCRADOSA-N 0 1 395.887 3.592 20 5 GHBDMN C[C@]1(Cc2cccc(F)c2)CCCN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001171426076 904577500 /nfs/dbraw/zinc/57/75/00/904577500.db2.gz JORVCSKIQCMSCX-JOCHJYFZSA-N 0 1 397.450 3.720 20 5 GHBDMN COc1cc(CN(Cc2ccccc2)[C@H](CO)C2CCC2)c([N+](=O)[O-])cc1F ZINC001171521382 904798053 /nfs/dbraw/zinc/79/80/53/904798053.db2.gz GSOLRFZKLJWRQP-HXUWFJFHSA-N 0 1 388.439 3.906 20 5 GHBDMN CC[S@](=O)[C@H]1CCC[C@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000175863484 905687353 /nfs/dbraw/zinc/68/73/53/905687353.db2.gz QOHQJAQULDJSSJ-QAPORCKPSA-N 0 1 393.534 3.888 20 5 GHBDMN C[C@@H]1c2cccn2CCN1C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173014877 906092648 /nfs/dbraw/zinc/09/26/48/906092648.db2.gz DDCYAJPCZOUFRH-CYBMUJFWSA-N 0 1 376.407 3.720 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CCN(C)C[C@H]2c2ccccc2)c1F ZINC001173186016 906267550 /nfs/dbraw/zinc/26/75/50/906267550.db2.gz QUUFPOKLXNMOLM-KXBFYZLASA-N 0 1 387.455 3.662 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CC[C@@H](C(=O)c3ccccc3)C2)c1F ZINC001173191479 906273580 /nfs/dbraw/zinc/27/35/80/906273580.db2.gz FLYFPLGLGUCWIK-GDBMZVCRSA-N 0 1 386.423 3.878 20 5 GHBDMN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCc2onc(COc3ccccn3)c2C1 ZINC001173226860 906309136 /nfs/dbraw/zinc/30/91/36/906309136.db2.gz MHWWTJJUNHQJEX-OAHLLOKOSA-N 0 1 394.431 3.546 20 5 GHBDMN Cc1cc(C)c([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000192731398 907870031 /nfs/dbraw/zinc/87/00/31/907870031.db2.gz CRCRWYMSIPNHKK-UHFFFAOYSA-N 0 1 385.785 3.574 20 5 GHBDMN C[C@@H](NC(=O)c1cc(Br)cc2nc[nH]c21)c1ccc([N+](=O)[O-])cc1 ZINC001177588235 908653362 /nfs/dbraw/zinc/65/33/62/908653362.db2.gz VMYIVCMODWXBRO-SECBINFHSA-N 0 1 389.209 3.725 20 5 GHBDMN COc1cc(CNc2ccc(C(=O)N3CCCCCC3)cc2)cc([N+](=O)[O-])c1O ZINC000195123343 908968391 /nfs/dbraw/zinc/96/83/91/908968391.db2.gz GQKJTWPTDSQCPH-UHFFFAOYSA-N 0 1 399.447 3.937 20 5 GHBDMN O=C1Nc2ccccc2CC[C@@H]1NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC001179044803 909359831 /nfs/dbraw/zinc/35/98/31/909359831.db2.gz QRYVTYUCDDGPPN-SFHVURJKSA-N 0 1 377.400 3.898 20 5 GHBDMN O=[N+]([O-])c1cccc(Br)c1CN[C@@H]1[C@H]2Cc3cc(F)ccc3[C@@H]12 ZINC001179210604 909418136 /nfs/dbraw/zinc/41/81/36/909418136.db2.gz KAOXRFQBTAUGOA-JCURWCKSSA-N 0 1 377.213 3.924 20 5 GHBDMN CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1 ZINC000269269148 910200552 /nfs/dbraw/zinc/20/05/52/910200552.db2.gz FODPXZZVNZELPJ-SANMLTNESA-N 0 1 376.434 3.600 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N2CCCCC[C@@H]2[C@@H]2CCCCC2=O)c1[N+](=O)[O-] ZINC000269449529 910271716 /nfs/dbraw/zinc/27/17/16/910271716.db2.gz GCSMIILMLVYDNW-UONOGXRCSA-N 0 1 376.457 3.585 20 5 GHBDMN C[C@H](NCc1ccc(Br)c([N+](=O)[O-])c1)c1ccc([S@](C)=O)cc1 ZINC000270136855 910455093 /nfs/dbraw/zinc/45/50/93/910455093.db2.gz QKCIBYKGOWEIHR-RULNZOCKSA-N 0 1 397.294 3.946 20 5 GHBDMN COC[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000901866522 921657684 /nfs/dbraw/zinc/65/76/84/921657684.db2.gz WKSJWGXKUQKMTI-IBGZPJMESA-N 0 1 390.461 3.637 20 5 GHBDMN O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2NCc2cc([N+](=O)[O-])ccc2Cl)n1 ZINC000774259285 911579021 /nfs/dbraw/zinc/57/90/21/911579021.db2.gz HTHFOGYNVADKJM-GJZGRUSLSA-N 0 1 379.804 3.626 20 5 GHBDMN O=C([O-])[C@@H]1CSCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000901891778 921705620 /nfs/dbraw/zinc/70/56/20/921705620.db2.gz PBAVLMPFPIKQID-ZDUSSCGKSA-N 0 1 378.475 3.573 20 5 GHBDMN O=C([O-])c1cnc(C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3Cl)CC2)s1 ZINC000901934884 921752368 /nfs/dbraw/zinc/75/23/68/921752368.db2.gz RLDYYJQNUCFWRO-UHFFFAOYSA-N 0 1 381.841 3.783 20 5 GHBDMN O=C([O-])CC[C@@H]1CCCC[N@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000901997517 921799259 /nfs/dbraw/zinc/79/92/59/921799259.db2.gz QPOHALQOPWRSRG-HNNXBMFYSA-N 0 1 375.450 3.938 20 5 GHBDMN Cc1ccccc1[C@@H]1C[C@H](C)N(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC001191155953 917789474 /nfs/dbraw/zinc/78/94/74/917789474.db2.gz JIEWXYVWTFGQKI-FUHWJXTLSA-N 0 1 379.460 3.670 20 5 GHBDMN Cc1cccc([C@H]2CCCN2CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1C ZINC001191145137 917812080 /nfs/dbraw/zinc/81/20/80/917812080.db2.gz MBBBWHYGXGAMSA-HXUWFJFHSA-N 0 1 379.460 3.938 20 5 GHBDMN CCO[C@@H]1C[C@H](N(C)Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1(CC)CC ZINC001191821403 918244662 /nfs/dbraw/zinc/24/46/62/918244662.db2.gz MNMWQAJRUULVQA-ZWKOTPCHSA-N 0 1 378.469 3.797 20 5 GHBDMN O=C1[C@@H](NCc2cccc([N+](=O)[O-])c2)CCN1c1ccc(C(F)(F)F)cc1 ZINC000113306776 919366501 /nfs/dbraw/zinc/36/65/01/919366501.db2.gz TUBLTDOGGNYWLD-INIZCTEOSA-N 0 1 379.338 3.509 20 5 GHBDMN CC(C)N1CC[C@H](NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1=O ZINC000114776135 919415430 /nfs/dbraw/zinc/41/54/30/919415430.db2.gz JROQBCAYWDFVBE-KRWDZBQOSA-N 0 1 387.411 3.625 20 5 GHBDMN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000801524067 921094299 /nfs/dbraw/zinc/09/42/99/921094299.db2.gz NYHWTTBSRPLYIP-UKRRQHHQSA-N 0 1 381.448 3.859 20 5 GHBDMN CN(C)c1nc2ccc(NC(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])cc2[nH]1 ZINC000802619224 922261788 /nfs/dbraw/zinc/26/17/88/922261788.db2.gz DSPOXPMIQCOINW-UHFFFAOYSA-N 0 1 391.790 3.511 20 5 GHBDMN C[C@@H]1C[N@@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C[C@H]1CC(=O)[O-] ZINC000902556012 922281325 /nfs/dbraw/zinc/28/13/25/922281325.db2.gz PTCIKEVNQLVQFB-NVXWUHKLSA-N 0 1 383.448 3.905 20 5 GHBDMN C[C@@H](NCc1cnc2n1CCOC2)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000903418881 923002914 /nfs/dbraw/zinc/00/29/14/923002914.db2.gz PXNSSWSQAVFDHZ-CYBMUJFWSA-N 0 1 384.461 3.901 20 5 GHBDMN CCC[C@H](NCc1cccc(N(C)S(C)(=O)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000903423277 923010539 /nfs/dbraw/zinc/01/05/39/923010539.db2.gz VJDGVAVKJUWBDB-IBGZPJMESA-N 0 1 391.493 3.622 20 5 GHBDMN O=C(Nc1ccccc1-c1nnc[nH]1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000371409837 924566871 /nfs/dbraw/zinc/56/68/71/924566871.db2.gz PEHQNOLRTDTFGE-UHFFFAOYSA-N 0 1 392.400 3.756 20 5 GHBDMN Cn1ccnc1[C@H]1CCCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000373230833 925953809 /nfs/dbraw/zinc/95/38/09/925953809.db2.gz RFJAZYKNVYQSQK-HNNXBMFYSA-N 0 1 383.477 3.831 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(Cc1ccccc1F)C1CC1 ZINC000411128591 926101632 /nfs/dbraw/zinc/10/16/32/926101632.db2.gz AQOZRXFEUFRJCW-UHFFFAOYSA-N 0 1 387.411 3.736 20 5 GHBDMN COc1ccc(CN2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)cc1[N+](=O)[O-] ZINC000133212623 926125572 /nfs/dbraw/zinc/12/55/72/926125572.db2.gz YJYOSAJTLJASMJ-MRXNPFEDSA-N 0 1 379.420 3.726 20 5 GHBDMN COc1ccc(CN2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)cc1[N+](=O)[O-] ZINC000133212623 926125576 /nfs/dbraw/zinc/12/55/76/926125576.db2.gz YJYOSAJTLJASMJ-MRXNPFEDSA-N 0 1 379.420 3.726 20 5 GHBDMN O=C(NC[C@@H](c1ccco1)N1CCCCC1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411150475 926128350 /nfs/dbraw/zinc/12/83/50/926128350.db2.gz WOJOZJUXVHIRHY-OTWHNJEPSA-N 0 1 383.448 3.635 20 5 GHBDMN O=C(CCN1CCc2ncc([N+](=O)[O-])cc2C1)Nc1cc(Cl)ccc1Cl ZINC000411480861 926443163 /nfs/dbraw/zinc/44/31/63/926443163.db2.gz PGMCKQAJGQLZAA-UHFFFAOYSA-N 0 1 395.246 3.684 20 5 GHBDMN Cc1ccc(CN[C@H](C)C(=O)Nc2cccc(N3CCCC3)c2)cc1[N+](=O)[O-] ZINC000725851115 926468881 /nfs/dbraw/zinc/46/88/81/926468881.db2.gz IPWSKZXOSMRFEB-MRXNPFEDSA-N 0 1 382.464 3.620 20 5 GHBDMN O=[N+]([O-])c1ccc(O)cc1CSc1nnc(N2CCCCC2)n1C1CC1 ZINC000412984990 928072111 /nfs/dbraw/zinc/07/21/11/928072111.db2.gz DRPVSIJPQAYOLZ-UHFFFAOYSA-N 0 1 375.454 3.509 20 5 GHBDMN CC(=O)Nc1ccc2c(CN[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)cc(=O)oc2c1 ZINC000751921159 928479058 /nfs/dbraw/zinc/47/90/58/928479058.db2.gz FZNRAANHLBQQCS-CYBMUJFWSA-N 0 1 395.415 3.819 20 5 GHBDMN COc1ccc(C2CCN([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)CC2)cc1 ZINC000467168567 928781760 /nfs/dbraw/zinc/78/17/60/928781760.db2.gz JJBKDMHSMIYKAV-OAQYLSRUSA-N 0 1 395.459 3.588 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@]1(C)Cc1ccccc1 ZINC000467239538 928865870 /nfs/dbraw/zinc/86/58/70/928865870.db2.gz XARHFJLLZMZOPA-OAQYLSRUSA-N 0 1 383.448 3.639 20 5 GHBDMN C[C@@H]1[C@@H](c2ccccc2)CCN1CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000752793579 929024180 /nfs/dbraw/zinc/02/41/80/929024180.db2.gz OZABFDQGFDZWPH-AEFFLSMTSA-N 0 1 380.448 3.672 20 5 GHBDMN Cc1cc(C(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)cc([N+](=O)[O-])c1 ZINC000469497788 929943381 /nfs/dbraw/zinc/94/33/81/929943381.db2.gz NZKODWWEVXIJHO-KRWDZBQOSA-N 0 1 395.381 3.955 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000758781882 930165455 /nfs/dbraw/zinc/16/54/55/930165455.db2.gz YGGWFQWAMZZSLV-GJZGRUSLSA-N 0 1 393.484 3.729 20 5 GHBDMN COc1ccc(-c2cc(-c3nc(-c4ccc([N+](=O)[O-])cc4)no3)[nH]n2)cc1OC ZINC000546966583 930571424 /nfs/dbraw/zinc/57/14/24/930571424.db2.gz UHYZTVODTCOPKV-UHFFFAOYSA-N 0 1 393.359 3.719 20 5 GHBDMN CCN(CC)[C@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)c1ccco1 ZINC000547289872 930885364 /nfs/dbraw/zinc/88/53/64/930885364.db2.gz ZFQKSKRIRFBAPA-QGZVFWFLSA-N 0 1 391.443 3.804 20 5 GHBDMN CN(Cc1ccc(OCC(F)(F)F)cc1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000557372020 931385588 /nfs/dbraw/zinc/38/55/88/931385588.db2.gz XCNICBPLWVEFMQ-UHFFFAOYSA-N 0 1 384.310 3.514 20 5 GHBDMN NC(=O)c1ccc(CN2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)c([N+](=O)[O-])c1 ZINC000558399450 931979899 /nfs/dbraw/zinc/97/98/99/931979899.db2.gz NLNFCGQKXGURFP-INIZCTEOSA-N 0 1 399.838 3.561 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000797518379 932317647 /nfs/dbraw/zinc/31/76/47/932317647.db2.gz DPJOPVUJXZSZNL-LSDHHAIUSA-N 0 1 393.484 3.729 20 5 GHBDMN Cc1ccc(CN2CCN(c3cccc([N+](=O)[O-])c3)CC2)c(-c2cnn(C)c2)c1 ZINC000559073845 932413018 /nfs/dbraw/zinc/41/30/18/932413018.db2.gz KOIYLYFWYITUQG-UHFFFAOYSA-N 0 1 391.475 3.626 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000559339568 932613069 /nfs/dbraw/zinc/61/30/69/932613069.db2.gz PKDVKMLKPWONKK-AWEZNQCLSA-N 0 1 397.410 3.517 20 5 GHBDMN CC(C)(C)OC(=O)NCC[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000799361223 932972009 /nfs/dbraw/zinc/97/20/09/932972009.db2.gz XJPMOTIXJDYDER-AWEZNQCLSA-N 0 1 381.448 3.861 20 5 GHBDMN COc1cc(CNc2ccc(C(=O)NCC(C)C)cc2C)cc([N+](=O)[O-])c1O ZINC000559996004 933005412 /nfs/dbraw/zinc/00/54/12/933005412.db2.gz FNXZXRRJQASAGB-UHFFFAOYSA-N 0 1 387.436 3.615 20 5 GHBDMN O=C(Nc1ccc2nc(CN3CCCCC3)[nH]c2c1)c1ccccc1[N+](=O)[O-] ZINC001115967516 933262385 /nfs/dbraw/zinc/26/23/85/933262385.db2.gz PLVCLIJQJVUXJN-UHFFFAOYSA-N 0 1 379.420 3.709 20 5 GHBDMN Cc1c(C(=O)Nc2ccc([N+](=O)[O-])c(Br)c2)ccc2cncn21 ZINC001116539410 933621278 /nfs/dbraw/zinc/62/12/78/933621278.db2.gz URJQGJNGXNOGHA-UHFFFAOYSA-N 0 1 375.182 3.566 20 5 GHBDMN O=C(N[C@H](CN1CCCC1)c1ccccc1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000777929834 934214236 /nfs/dbraw/zinc/21/42/36/934214236.db2.gz FALUDTLKIATNTN-GOSISDBHSA-N 0 1 389.402 3.640 20 5 GHBDMN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)Nc2ccc([C@@H]3CCOC3)cc2)c1 ZINC000830009092 935889736 /nfs/dbraw/zinc/88/97/36/935889736.db2.gz PQAYSWLGDYFKKX-CYBMUJFWSA-N 0 1 396.852 3.861 20 5 GHBDMN Cc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)cc1[N+](=O)[O-] ZINC001594350147 958343643 /nfs/dbraw/zinc/34/36/43/958343643.db2.gz SWQNNXZHUQMASO-HOCLYGCPSA-N 0 1 387.436 3.648 20 5 GHBDMN O=C(NCCc1ccc(OCc2ccccc2)cc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC001625948142 1014519612 /nfs/dbraw/zinc/51/96/12/1014519612.db2.gz GOEYFOYYJFXXCD-UHFFFAOYSA-N 0 1 392.411 3.852 20 5 GHBDMN CC(C)(C)n1c[nH+]cc1[C@H]1CCCN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001590603175 990265550 /nfs/dbraw/zinc/26/55/50/990265550.db2.gz RRUDQLNTIANEGQ-HNNXBMFYSA-N 0 1 386.452 3.557 20 5 GHBDMN Nc1c(C(=O)N2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)cccc1[N+](=O)[O-] ZINC000468746732 1015987725 /nfs/dbraw/zinc/98/77/25/1015987725.db2.gz ZYZQSUMBNHSZGT-OAHLLOKOSA-N 0 1 385.811 3.684 20 5 GHBDMN C[C@H](c1ccccn1)[N@H+]1CCC[C@H](Oc2ncnc3cc(F)c([N+](=O)[O-])cc32)C1 ZINC001226808898 1032138129 /nfs/dbraw/zinc/13/81/29/1032138129.db2.gz ZFVLTOJGJWCDES-KGLIPLIRSA-N 0 1 397.410 3.677 20 5 GHBDMN C[C@H](c1ccccn1)N1CCC[C@H](Oc2ncnc3cc(F)c([N+](=O)[O-])cc32)C1 ZINC001226808898 1032138138 /nfs/dbraw/zinc/13/81/38/1032138138.db2.gz ZFVLTOJGJWCDES-KGLIPLIRSA-N 0 1 397.410 3.677 20 5 GHBDMN O=[N+]([O-])c1cc(F)ccc1C=Cc1nc(Cc2nnc(-c3ccccc3)[nH]2)no1 ZINC000545789854 1016386193 /nfs/dbraw/zinc/38/61/93/1016386193.db2.gz AUXDTAFWJJFROS-CLFYSBASSA-N 0 1 392.350 3.663 20 5 GHBDMN COc1ccc(OC)c(CN(CCO)C/C(C)=C/c2cccc([N+](=O)[O-])c2)c1 ZINC000470179897 1016745026 /nfs/dbraw/zinc/74/50/26/1016745026.db2.gz FCUZOKQFOPVGIG-LFIBNONCSA-N 0 1 386.448 3.510 20 5 GHBDMN N[C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)NCCO[C@@H]1CCCCO1 ZINC001220861988 1032159591 /nfs/dbraw/zinc/15/95/91/1032159591.db2.gz LAWJDGPRNCBVQU-XZOQPEGZSA-N 0 1 392.499 3.522 20 5 GHBDMN COc1cc(F)c(-c2noc(-c3cc(-c4cccc([N+](=O)[O-])c4)n[nH]3)n2)cc1F ZINC001212995311 1032309800 /nfs/dbraw/zinc/30/98/00/1032309800.db2.gz SURPHBPDAOCJDY-UHFFFAOYSA-N 0 1 399.313 3.989 20 5 GHBDMN COC(=O)c1cc(Br)c(O)cc1O[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC001227359783 1032388812 /nfs/dbraw/zinc/38/88/12/1032388812.db2.gz OXDJDJSTBMFIJC-VIFPVBQESA-N 0 1 396.193 3.990 20 5 GHBDMN COC(=O)c1sc([N+](=O)[O-])cc1O[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC001227541788 1032457522 /nfs/dbraw/zinc/45/75/22/1032457522.db2.gz ONNGHIGHGTUXAU-CZUORRHYSA-N 0 1 390.461 3.732 20 5 GHBDMN COC(=O)c1sc([N+](=O)[O-])cc1O[C@@H]1CN(Cc2ccccc2)CC[C@H]1C ZINC001227541788 1032457526 /nfs/dbraw/zinc/45/75/26/1032457526.db2.gz ONNGHIGHGTUXAU-CZUORRHYSA-N 0 1 390.461 3.732 20 5 GHBDMN COc1cc(CNCC(C)(C)C(F)(F)F)c([N+](=O)[O-])cc1OCC(F)F ZINC000559072617 1017355402 /nfs/dbraw/zinc/35/54/02/1017355402.db2.gz MZVNOMXOPQEJKD-UHFFFAOYSA-N 0 1 386.317 3.925 20 5 GHBDMN Cc1cccc(CNCc2cc(I)cc([N+](=O)[O-])c2)c1 ZINC000562078473 1018030485 /nfs/dbraw/zinc/03/04/85/1018030485.db2.gz IGPCIFPIFFWLDV-UHFFFAOYSA-N 0 1 382.201 3.798 20 5 GHBDMN Cc1ccc(CNC(=O)C2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)cc1F ZINC000047892041 1020145986 /nfs/dbraw/zinc/14/59/86/1020145986.db2.gz JSCVFSIHERIDJD-UHFFFAOYSA-N 0 1 385.439 3.571 20 5 GHBDMN COC[C@H](C)N(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@H]1CCc2ccccc21 ZINC000600795537 1020262759 /nfs/dbraw/zinc/26/27/59/1020262759.db2.gz YXNPZVYKLKTYND-DJJJIMSYSA-N 0 1 394.431 3.636 20 5 GHBDMN C[C@H](N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000192024612 1020841207 /nfs/dbraw/zinc/84/12/07/1020841207.db2.gz DEAPAVNWNSCHNW-UYHISHBKSA-N 0 1 389.839 3.695 20 5 GHBDMN CC(C)(C)OC(=O)N1CCC2(CCN(Cc3ccc([N+](=O)[O-])c(F)c3)C2)CC1 ZINC000801526763 1021406278 /nfs/dbraw/zinc/40/62/78/1021406278.db2.gz WUIJLJUPASOPKI-UHFFFAOYSA-N 0 1 393.459 3.957 20 5 GHBDMN CC(C)(C)OC(=O)NC[C@]1(C)CCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000802654012 1021514426 /nfs/dbraw/zinc/51/44/26/1021514426.db2.gz DQMPEBIAJVDZRQ-JCOOBLOPSA-N 0 1 375.469 3.845 20 5 GHBDMN C[C@@H]1C[C@H](C)[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])[C@H](C)[C@@H]1C(=O)[O-] ZINC000903952072 1021662216 /nfs/dbraw/zinc/66/22/16/1021662216.db2.gz JTMYXCBHQAXAHH-JNIYBQFBSA-N 0 1 385.258 3.677 20 5 GHBDMN C[C@H](Oc1nc(C2CC2)[nH]c(=O)c1[N+](=O)[O-])c1c(F)c(F)c(F)c(F)c1F ZINC001228604936 1033002184 /nfs/dbraw/zinc/00/21/84/1033002184.db2.gz YSQKQNXWXSVEQZ-BYPYZUCNSA-N 0 1 391.252 3.803 20 5 GHBDMN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C)N1CCc2ccccc2C1 ZINC000754093856 1022476944 /nfs/dbraw/zinc/47/69/44/1022476944.db2.gz FZSRZEUOWMWAIH-MAUBAPBLSA-N 0 1 379.460 3.561 20 5 GHBDMN COC(=O)c1cc(O[C@H]2CCN(Cc3ccc(Cl)cc3)C2)cc([N+](=O)[O-])c1 ZINC001228772138 1033089178 /nfs/dbraw/zinc/08/91/78/1033089178.db2.gz VEJIVRBWFCNHFI-KRWDZBQOSA-N 0 1 390.823 3.688 20 5 GHBDMN C[C@@H](c1ccccn1)N1CCC[C@H](Oc2c3ccccc3oc(=O)c2[N+](=O)[O-])C1 ZINC001228805512 1033106889 /nfs/dbraw/zinc/10/68/89/1033106889.db2.gz KPTPQFYKPFNLCZ-GJZGRUSLSA-N 0 1 395.415 3.701 20 5 GHBDMN CC[C@@H]1CN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC001138122019 1024162140 /nfs/dbraw/zinc/16/21/40/1024162140.db2.gz RRTPQAPGHIGOQR-HXUWFJFHSA-N 0 1 399.466 3.790 20 5 GHBDMN C[C@@H](CC(F)(F)F)NS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000831122054 1024368675 /nfs/dbraw/zinc/36/86/75/1024368675.db2.gz ZRQJCECNCNOOFV-YFKPBYRVSA-N 0 1 381.159 3.521 20 5 GHBDMN CC(C)(C)n1ncc(C(=O)OCc2cc(O)ccc2[N+](=O)[O-])c1C(F)(F)F ZINC000837435681 1024457068 /nfs/dbraw/zinc/45/70/68/1024457068.db2.gz MPUKOYLLBPJBAD-UHFFFAOYSA-N 0 1 387.314 3.628 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2nc(CNCCOC(F)(F)C(F)(F)F)cs2)c1 ZINC001203566657 1027437997 /nfs/dbraw/zinc/43/79/97/1027437997.db2.gz XTNQYLDZVRMWAR-UHFFFAOYSA-N 0 1 397.325 3.980 20 5 GHBDMN CC(C)(C)CCN1CCN(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC001142026624 1027914216 /nfs/dbraw/zinc/91/42/16/1027914216.db2.gz DPMHVFSHUNGZLA-UHFFFAOYSA-N 0 1 387.402 3.808 20 5 GHBDMN CC(C)(C)OC(=O)Nc1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(C(F)(F)F)c1 ZINC000841108120 1028150030 /nfs/dbraw/zinc/15/00/30/1028150030.db2.gz OFXIKKXEBBQMAQ-BXKDBHETSA-N 0 1 389.330 3.656 20 5 GHBDMN C[C@H](C[C@@H](O)c1ccccc1)NCc1c(Br)cccc1[N+](=O)[O-] ZINC001461415923 1069540508 /nfs/dbraw/zinc/54/05/08/1069540508.db2.gz QNEDSEHIQIEQGS-SJKOYZFVSA-N 0 1 379.254 3.959 20 5 GHBDMN COc1ccc(Br)cc1-c1noc(-c2ccc(O)cc2[N+](=O)[O-])n1 ZINC001216891001 1029982037 /nfs/dbraw/zinc/98/20/37/1029982037.db2.gz MCSPONRUZLZYPG-UHFFFAOYSA-N 0 1 392.165 3.789 20 5 GHBDMN O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CCN[C@H](Cc2ccccc2)C1 ZINC001150935383 1030712656 /nfs/dbraw/zinc/71/26/56/1030712656.db2.gz KQUVGXZJFRNQRU-CQSZACIVSA-N 0 1 394.258 3.558 20 5 GHBDMN C[C@@H](NC(=O)NCc1ccc(Nc2ccncc2)cc1)c1cccc([N+](=O)[O-])c1 ZINC001223870861 1030784366 /nfs/dbraw/zinc/78/43/66/1030784366.db2.gz VFHNBFUFVFTBID-OAHLLOKOSA-N 0 1 391.431 3.716 20 5 GHBDMN CC(C)=CCc1c(O)cc(OC2CC(O)C2)c2c(=O)c3cccc(O)c3oc12 ZINC001218262298 1030859944 /nfs/dbraw/zinc/85/99/44/1030859944.db2.gz YWQXGHLGRFMHOG-UHFFFAOYSA-N 0 1 382.412 3.768 20 5 GHBDMN CCN(C)c1ncc(NC(=O)[C@@H](N)Cc2c3ccccc3cc3ccccc32)cn1 ZINC001218741669 1031061046 /nfs/dbraw/zinc/06/10/46/1031061046.db2.gz YIAICYJIPJRFOL-QFIPXVFZSA-N 0 1 399.498 3.748 20 5 GHBDMN Cc1cc2cc3ccc(N(C)C)cc3nc2cc1NC(=O)[C@@H](N)COC(C)(C)C ZINC001219210984 1031306894 /nfs/dbraw/zinc/30/68/94/1031306894.db2.gz QRTXUMRQAYHEAI-SFHVURJKSA-N 0 1 394.519 3.843 20 5 GHBDMN COc1ccc(-c2noc(-c3cc(-c4ccc([N+](=O)[O-])cc4)n[nH]3)n2)c(F)c1 ZINC001213008465 1033579704 /nfs/dbraw/zinc/57/97/04/1033579704.db2.gz MLLBMQGHUVVWME-UHFFFAOYSA-N 0 1 381.323 3.850 20 5 GHBDMN O=[N+]([O-])c1cc([N+](=O)[O-])c(O[C@H]2CC[N@H+](Cc3ccccc3Cl)C2)cc1[O-] ZINC001231227814 1034472547 /nfs/dbraw/zinc/47/25/47/1034472547.db2.gz MVOMTTPFFDSVEA-LBPRGKRZSA-N 0 1 393.783 3.515 20 5 GHBDMN O=[N+]([O-])c1cc([N+](=O)[O-])c(O[C@H]2CC[N@@H+](Cc3ccccc3Cl)C2)cc1[O-] ZINC001231227814 1034472555 /nfs/dbraw/zinc/47/25/55/1034472555.db2.gz MVOMTTPFFDSVEA-LBPRGKRZSA-N 0 1 393.783 3.515 20 5 GHBDMN CC(C)N1CCC[C@H](Oc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001231235565 1034476671 /nfs/dbraw/zinc/47/66/71/1034476671.db2.gz CCRJXXBPRGVXSH-NSHDSACASA-N 0 1 377.319 3.773 20 5 GHBDMN O=C(Nc1n[nH]c2nc(C(F)(F)F)ccc12)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001159611166 1034688464 /nfs/dbraw/zinc/68/84/64/1034688464.db2.gz WDLYZZDWOLGSIA-RYUDHWBXSA-N 0 1 391.309 3.627 20 5 GHBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)[C@@H]1CCC[C@H]1Cc1ccccc1 ZINC001160727371 1035045301 /nfs/dbraw/zinc/04/53/01/1035045301.db2.gz NCWBCHQDWUXWSP-MAUKXSAKSA-N 0 1 391.431 3.977 20 5 GHBDMN O=C(c1ccco1)N1C[C@H]2C[C@@H](C1)N(Cc1ccc3ccc4cccnc4c3n1)C2 ZINC001232222249 1035170425 /nfs/dbraw/zinc/17/04/25/1035170425.db2.gz QMWFLMKRNZHRGB-JXFKEZNVSA-N 0 1 398.466 3.723 20 5 GHBDMN CC[C@@H](NCc1ccc(O)c(OC)c1[N+](=O)[O-])c1ccc(OC)c(OC)c1 ZINC001462214225 1070089215 /nfs/dbraw/zinc/08/92/15/1070089215.db2.gz IPSGXEIMGMCHEE-CQSZACIVSA-N 0 1 376.409 3.567 20 5 GHBDMN C[C@@H](c1nc(-c2ccc(N3CCN(C)CC3)cc2)no1)c1ccc([N+](=O)[O-])cc1 ZINC001247605276 1038273122 /nfs/dbraw/zinc/27/31/22/1038273122.db2.gz XFSLYOUXFMOWMO-OAHLLOKOSA-N 0 1 393.447 3.548 20 5 GHBDMN COC(=O)c1cccc2nc(O[C@H](c3ccc([N+](=O)[O-])cc3)C(F)(F)F)[n-]c21 ZINC001234045752 1039782294 /nfs/dbraw/zinc/78/22/94/1039782294.db2.gz WHXOHGRTLBHFLA-CQSZACIVSA-N 0 1 395.293 3.940 20 5 GHBDMN COC(=O)c1cccc2nc(O[C@H](c3ccc([N+](=O)[O-])cc3)C(F)(F)F)[nH]c21 ZINC001234045752 1039782305 /nfs/dbraw/zinc/78/23/05/1039782305.db2.gz WHXOHGRTLBHFLA-CQSZACIVSA-N 0 1 395.293 3.940 20 5 GHBDMN C[N@H+]1CCC[C@H](Oc2cc(C(F)(F)F)c(Br)cc2[N+](=O)[O-])C1 ZINC001234392896 1039997786 /nfs/dbraw/zinc/99/77/86/1039997786.db2.gz PCNHQXWOZFCEEY-QMMMGPOBSA-N 0 1 383.164 3.849 20 5 GHBDMN CN1CCC[C@H](Oc2cc(C(F)(F)F)c(Br)cc2[N+](=O)[O-])C1 ZINC001234392896 1039997792 /nfs/dbraw/zinc/99/77/92/1039997792.db2.gz PCNHQXWOZFCEEY-QMMMGPOBSA-N 0 1 383.164 3.849 20 5 GHBDMN O=[N+]([O-])c1ccc(N2CCC(NCc3nc(Br)cs3)CC2)cc1 ZINC001254470216 1040257165 /nfs/dbraw/zinc/25/71/65/1040257165.db2.gz KCRXMKCERSLVHZ-UHFFFAOYSA-N 0 1 397.298 3.572 20 5 GHBDMN CO[C@@H](CN1CCN([C@H](C)Cc2ccccc2[N+](=O)[O-])CC1)c1ccccc1 ZINC001254567061 1040342064 /nfs/dbraw/zinc/34/20/64/1040342064.db2.gz VXUXFETTZUYCHQ-GCJKJVERSA-N 0 1 383.492 3.531 20 5 GHBDMN COc1cc(N2CCC(N3CCOC[C@@H]3c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC001256093726 1041523863 /nfs/dbraw/zinc/52/38/63/1041523863.db2.gz PMCCETKNWCAXRQ-OAQYLSRUSA-N 0 1 397.475 3.646 20 5 GHBDMN COc1ccc(S(=O)(=O)Nc2cccc3nc4ccccc4nc32)cc1C ZINC001260638413 1045584189 /nfs/dbraw/zinc/58/41/89/1045584189.db2.gz HWIUGNVJCWQEEV-UHFFFAOYSA-N 0 1 379.441 3.901 20 5 GHBDMN O=C(NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC001261246954 1045937954 /nfs/dbraw/zinc/93/79/54/1045937954.db2.gz GKYFRHPZAKIGJE-YQQQUEKLSA-N 0 1 395.459 3.616 20 5 GHBDMN O=C1NCC2(CCN(Cc3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)CC2)O1 ZINC001262366783 1046250795 /nfs/dbraw/zinc/25/07/95/1046250795.db2.gz WGOPHDWUFKRHHE-UHFFFAOYSA-N 0 1 391.811 3.583 20 5 GHBDMN CN1CCN(c2ccc([N+](=O)[O-])c(NC(=O)/C=C\C3CCCCCC3)c2)CC1 ZINC001463057005 1070761887 /nfs/dbraw/zinc/76/18/87/1070761887.db2.gz NVKCEHQXQSQEIK-FLIBITNWSA-N 0 1 386.496 3.812 20 5 GHBDMN CC[C@@H](c1ccccc1)N1CCN(Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC001307499248 1049338894 /nfs/dbraw/zinc/33/88/94/1049338894.db2.gz LGODVHFCELNZIM-FQEVSTJZSA-N 0 1 397.475 3.650 20 5 GHBDMN COC(=O)/C=C/c1ccc(OCCN(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC001307537712 1049382369 /nfs/dbraw/zinc/38/23/69/1049382369.db2.gz IRCIZMQEQCTNRT-KPKJPENVSA-N 0 1 396.443 3.824 20 5 GHBDMN O=c1[nH]c2ccccc2n1CCCN1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001307778459 1049586764 /nfs/dbraw/zinc/58/67/64/1049586764.db2.gz DENXBCYJEMVTBA-KRWDZBQOSA-N 0 1 380.448 3.920 20 5 GHBDMN COc1ccc([C@H](C)NCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1C ZINC001308062078 1049808644 /nfs/dbraw/zinc/80/86/44/1049808644.db2.gz OGIFRKZDCZTNJK-LBPRGKRZSA-N 0 1 377.828 3.855 20 5 GHBDMN CCOc1ccc(NC(=O)CN[C@@H](C)c2ccc(F)cc2C)c([N+](=O)[O-])c1 ZINC001308061773 1049808770 /nfs/dbraw/zinc/80/87/70/1049808770.db2.gz KWSOAHNLEAFDKW-ZDUSSCGKSA-N 0 1 375.400 3.730 20 5 GHBDMN CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCCCN(Cc1cccnc1[N+](=O)[O-])C2 ZINC001308075732 1049821690 /nfs/dbraw/zinc/82/16/90/1049821690.db2.gz PHCNVHBVDHXWTB-FQEVSTJZSA-N 0 1 390.484 3.603 20 5 GHBDMN C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC001290893314 1049945917 /nfs/dbraw/zinc/94/59/17/1049945917.db2.gz DLYKEVIOQQRHRO-HNNXBMFYSA-N 0 1 383.448 3.605 20 5 GHBDMN C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC001290960862 1049960588 /nfs/dbraw/zinc/96/05/88/1049960588.db2.gz HUEDJQMDZDDSFP-IYBDPMFKSA-N 0 1 397.475 3.708 20 5 GHBDMN Cc1ccc(C(C)C)c(Oc2ccc(CN[C@@H]3COC[C@H]3O)cc2[N+](=O)[O-])c1 ZINC001308406354 1049968709 /nfs/dbraw/zinc/96/87/09/1049968709.db2.gz AVBDWHZAGQTBDM-IEBWSBKVSA-N 0 1 386.448 3.668 20 5 GHBDMN C[C@@H](NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)[C@@H](O)C(F)(F)F ZINC001308488650 1049988118 /nfs/dbraw/zinc/98/81/18/1049988118.db2.gz PIFUKNHIVCEKQZ-QLJPJBMISA-N 0 1 388.317 3.928 20 5 GHBDMN C[C@@]1(c2ccccc2)CC[C@H](N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001308571346 1050014849 /nfs/dbraw/zinc/01/48/49/1050014849.db2.gz SJWDIBHQBBEUPY-JTHBVZDNSA-N 0 1 393.487 3.863 20 5 GHBDMN C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001308837351 1050116049 /nfs/dbraw/zinc/11/60/49/1050116049.db2.gz WQGXWIKVCYWEJQ-NEPJUHHUSA-N 0 1 378.429 3.517 20 5 GHBDMN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNC[C@@H](O)c1c(F)cccc1F ZINC001308939130 1050199378 /nfs/dbraw/zinc/19/93/78/1050199378.db2.gz UUWUQCMZQZUCEF-CQSZACIVSA-N 0 1 376.281 3.715 20 5 GHBDMN O=C1OCCN1[C@H]1CCN(Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC001328265122 1050455923 /nfs/dbraw/zinc/45/59/23/1050455923.db2.gz ZSUFFECYGGFVDE-ZDUSSCGKSA-N 0 1 391.811 3.535 20 5 GHBDMN C[C@H](C(=O)Nc1nc(-c2cccc(Cl)c2)n[nH]1)c1ccc([N+](=O)[O-])cc1F ZINC001337494722 1052486325 /nfs/dbraw/zinc/48/63/25/1052486325.db2.gz WNOCFJZMWRSDIO-VIFPVBQESA-N 0 1 389.774 3.915 20 5 GHBDMN COc1cc(CN(C)[C@H]2CC[C@@H](SC)C2)c([N+](=O)[O-])cc1OC(F)F ZINC001318792818 1054876526 /nfs/dbraw/zinc/87/65/26/1054876526.db2.gz PRHVHDNDVGTFEN-NWDGAFQWSA-N 0 1 376.425 3.921 20 5 GHBDMN COc1cc(F)c([N+](=O)[O-])c(N2CCC(c3cc(-c4ccncc4)[nH]n3)CC2)c1 ZINC000848718447 1057261568 /nfs/dbraw/zinc/26/15/68/1057261568.db2.gz JYWPSOOBUPXUFE-UHFFFAOYSA-N 0 1 397.410 3.912 20 5 GHBDMN COCCCOc1cccc(NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)c1 ZINC001445173750 1059473845 /nfs/dbraw/zinc/47/38/45/1059473845.db2.gz GUZDVRZNJKMQFZ-UHFFFAOYSA-N 0 1 396.403 3.653 20 5 GHBDMN O=C(c1c(F)cccc1[N+](=O)[O-])N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC001446981586 1059912321 /nfs/dbraw/zinc/91/23/21/1059912321.db2.gz LTDOBAGCMKLGMQ-CQSZACIVSA-N 0 1 395.394 3.539 20 5 GHBDMN CN(C)C1CN(C(=O)c2ccc([N+](=O)[O-])c(Sc3ccc(Cl)cc3)c2)C1 ZINC001447142616 1059932427 /nfs/dbraw/zinc/93/24/27/1059932427.db2.gz YEBSUVGAFSWSEU-UHFFFAOYSA-N 0 1 391.880 3.785 20 5 GHBDMN CCOc1cc(NC(=O)c2ccc3cncn3c2C)c([N+](=O)[O-])cc1OCC ZINC001342195141 1061121955 /nfs/dbraw/zinc/12/19/55/1061121955.db2.gz MYQJORKIBLKFTA-UHFFFAOYSA-N 0 1 384.392 3.601 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)c2ncnc(N3CCC[C@H](c4nc(C5CC5)n[nH]4)C3)c2c1 ZINC001347231584 1062228387 /nfs/dbraw/zinc/22/83/87/1062228387.db2.gz QRPPLLGHVWIRLK-NSHDSACASA-N 0 1 399.842 3.571 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)c2ncnc(N3CCC[C@H](c4n[nH]c(C5CC5)n4)C3)c2c1 ZINC001347231584 1062228406 /nfs/dbraw/zinc/22/84/06/1062228406.db2.gz QRPPLLGHVWIRLK-NSHDSACASA-N 0 1 399.842 3.571 20 5 GHBDMN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)Nc1nc(-c2ccc(F)cc2)ns1 ZINC001435179394 1062361734 /nfs/dbraw/zinc/36/17/34/1062361734.db2.gz ACFZUJRBQHWAGQ-UHFFFAOYSA-N 0 1 376.344 3.952 20 5 GHBDMN CC(C)(Cc1cccc(Br)c1)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC001465530042 1065692225 /nfs/dbraw/zinc/69/22/25/1065692225.db2.gz DKZZHVZKKJLVIR-UHFFFAOYSA-N 0 1 393.237 3.814 20 5 GHBDMN Cc1ccc2c(c1)N(C(=O)c1cc(-c3ccc([N+](=O)[O-])cc3)n[nH]1)C[C@H](C)O2 ZINC001465689562 1065792718 /nfs/dbraw/zinc/79/27/18/1065792718.db2.gz JIONGIAJQAWZRJ-ZDUSSCGKSA-N 0 1 378.388 3.721 20 5 GHBDMN CCOc1cc(NC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC001466998175 1066436138 /nfs/dbraw/zinc/43/61/38/1066436138.db2.gz QQWGMIZHSNRMCJ-SFHVURJKSA-N 0 1 398.463 3.732 20 5 GHBDMN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@H]1Cc1ccccc1Br ZINC001460273457 1068901255 /nfs/dbraw/zinc/90/12/55/1068901255.db2.gz XNPFTRWFCPCNPX-OAHLLOKOSA-N 0 1 393.285 3.569 20 5 GHBDMN Cc1ccccc1[C@@H](CO)N(C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC001460779037 1069172454 /nfs/dbraw/zinc/17/24/54/1069172454.db2.gz QOIDIICVYUEXPG-QGZVFWFLSA-N 0 1 379.254 3.831 20 5 GHBDMN Cc1cc([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2Br)n[nH]1 ZINC001472105077 1073336696 /nfs/dbraw/zinc/33/66/96/1073336696.db2.gz ZRABCULNMFFNKE-OAHLLOKOSA-N 0 1 393.241 3.756 20 5 GHBDMN O=[N+]([O-])c1cnc2c(Cl)cccc2c1NCCN1CCc2sccc2C1 ZINC001472669037 1073606870 /nfs/dbraw/zinc/60/68/70/1073606870.db2.gz AFUWTGXAZLIDQX-UHFFFAOYSA-N 0 1 388.880 3.750 20 5 GHBDMN C[C@@H]1[C@H](C)N(Cc2ccccc2)[C@@H](C)CN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001472821951 1073681686 /nfs/dbraw/zinc/68/16/86/1073681686.db2.gz CLHLMEBMHCIDDL-HRCADAONSA-N 0 1 384.436 3.991 20 5 GHBDMN O=[N+]([O-])c1cc(I)cc(CN2CCC[C@@H]2C2CCC2)c1 ZINC001473144197 1073805665 /nfs/dbraw/zinc/80/56/65/1073805665.db2.gz JHSPFNCOEVRIEG-OAHLLOKOSA-N 0 1 386.233 3.964 20 5 GHBDMN Cc1ccccc1SC[C@H](C)CN1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC001473529158 1074003959 /nfs/dbraw/zinc/00/39/59/1074003959.db2.gz SPQNRTKRKLJPOW-MRXNPFEDSA-N 0 1 386.521 3.849 20 5 GHBDMN COc1ccc(CNCc2sc(N3CCCCC3)nc2C)cc1[N+](=O)[O-] ZINC001473987231 1074227262 /nfs/dbraw/zinc/22/72/62/1074227262.db2.gz JHBIMLKDUKZQDN-UHFFFAOYSA-N 0 1 376.482 3.648 20 5 GHBDMN CCC[C@H](CCc1ccccc1)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC001475010180 1074681942 /nfs/dbraw/zinc/68/19/42/1074681942.db2.gz NXSPRWXCPJAXCS-OAHLLOKOSA-N 0 1 380.441 3.814 20 5 GHBDMN Cc1ccc([C@@H]2C[C@H]2NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)cc1 ZINC001475425706 1074870655 /nfs/dbraw/zinc/87/06/55/1074870655.db2.gz DPSDWPKASYXQNN-GXTWGEPZSA-N 0 1 384.816 3.530 20 5 GHBDMN O=C([O-])c1cc([N+](=O)[O-])c(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1Cl ZINC000740096723 600943120 /nfs/dbraw/zinc/94/31/20/600943120.db2.gz OXOVDURXJZDFSK-ZDUSSCGKSA-N 0 1 375.812 3.633 20 5 GHBDMN O=C([O-])[C@H]1CCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000263386504 604528097 /nfs/dbraw/zinc/52/80/97/604528097.db2.gz CZHZOUBSCXCLLM-CQSZACIVSA-N 0 1 395.209 3.666 20 5 GHBDMN C[C@H](NC(=O)[O-])[C@@H]1CCC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000833811207 605595842 /nfs/dbraw/zinc/59/58/42/605595842.db2.gz AUPNDDJFJLFXBS-GXTWGEPZSA-N 0 1 390.465 3.586 20 5 GHBDMN C[C@H](NC(=O)[O-])[C@@H]1CCC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000833811207 605595847 /nfs/dbraw/zinc/59/58/47/605595847.db2.gz AUPNDDJFJLFXBS-GXTWGEPZSA-N 0 1 390.465 3.586 20 5 GHBDMN Cc1cc(F)cc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c1[N+](=O)[O-] ZINC000176792620 834757048 /nfs/dbraw/zinc/75/70/48/834757048.db2.gz GEQVSZDJFPMGPW-AWEZNQCLSA-N 0 1 391.468 3.746 20 5 GHBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2C[C@@H](C)[C@@](C)(C(=O)[O-])C2)cc1OC ZINC000583758355 834988782 /nfs/dbraw/zinc/98/87/82/834988782.db2.gz FXWARCQVWQWHJA-MNVSYLFESA-N 0 1 394.468 3.571 20 5 GHBDMN O=[N+]([O-])c1cnc2c(c1)CN(CCCc1ccccc1Br)CC2 ZINC000583839069 835123505 /nfs/dbraw/zinc/12/35/05/835123505.db2.gz RYSDVWMQUVUEDF-UHFFFAOYSA-N 0 1 376.254 3.743 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N[C@H](c1ccccc1)C(F)F ZINC000431614221 835208775 /nfs/dbraw/zinc/20/87/75/835208775.db2.gz MMPQAUSPAHSDEN-CYBMUJFWSA-N 0 1 376.768 3.533 20 5 GHBDMN Cc1ccc(NC(=O)C[C@H](C)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)c(C)c1 ZINC000278692132 835805408 /nfs/dbraw/zinc/80/54/08/835805408.db2.gz MWRRBVVVTDVNSN-AWEZNQCLSA-N 0 1 381.436 3.595 20 5 GHBDMN COc1cc(C)c([C@@H](C)NCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1OC ZINC000179626595 835898012 /nfs/dbraw/zinc/89/80/12/835898012.db2.gz NWEIANLGHWFDKZ-CQSZACIVSA-N 0 1 387.436 3.518 20 5 GHBDMN COc1ccccc1COC1CCN(Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000179751674 835964950 /nfs/dbraw/zinc/96/49/50/835964950.db2.gz GRMCKTKLPYYNIU-UHFFFAOYSA-N 0 1 386.448 3.793 20 5 GHBDMN O=C(NC[C@H](c1ccco1)N1CCCCC1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411150474 836068535 /nfs/dbraw/zinc/06/85/35/836068535.db2.gz WOJOZJUXVHIRHY-IPMKNSEASA-N 0 1 383.448 3.635 20 5 GHBDMN Cc1ccc([C@@H](C)NC(=O)NC[C@@H](c2cccc(F)c2)N(C)C)cc1[N+](=O)[O-] ZINC000175570643 836710984 /nfs/dbraw/zinc/71/09/84/836710984.db2.gz GLDCWHYSFCDWIO-KUHUBIRLSA-N 0 1 388.443 3.705 20 5 GHBDMN CC[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1ccc(OC)c(OC)c1 ZINC000510226002 836845182 /nfs/dbraw/zinc/84/51/82/836845182.db2.gz YNZBUPMFQQHBEN-MRXNPFEDSA-N 0 1 387.436 3.600 20 5 GHBDMN C[C@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])c1cccc(OC(F)(F)F)c1 ZINC000178207192 836932894 /nfs/dbraw/zinc/93/28/94/836932894.db2.gz VOGIBAMXAOIUGK-NSHDSACASA-N 0 1 383.326 3.783 20 5 GHBDMN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCc1ccsc1Br ZINC000510946920 844231470 /nfs/dbraw/zinc/23/14/70/844231470.db2.gz WYIQOQKVHSYCGX-JTQLQIEISA-N 0 1 398.282 3.926 20 5 GHBDMN COc1cccc([C@@H]2[C@@H](NC(=O)Nc3ccc([N+](=O)[O-])cc3)CCN2C2CC2)c1 ZINC000180065361 837059145 /nfs/dbraw/zinc/05/91/45/837059145.db2.gz PDONVOIERWDZCT-VQTJNVASSA-N 0 1 396.447 3.703 20 5 GHBDMN COc1ccccc1[C@H]1CC[C@@H](C)CN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000510255850 837066225 /nfs/dbraw/zinc/06/62/25/837066225.db2.gz SGVFWJIWSGAQNT-RDTXWAMCSA-N 0 1 383.448 3.676 20 5 GHBDMN C[C@@H](NCC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2)c1cccc([N+](=O)[O-])c1 ZINC000180424358 837250733 /nfs/dbraw/zinc/25/07/33/837250733.db2.gz LAOLSSOPQOLPBK-CQSZACIVSA-N 0 1 397.431 3.926 20 5 GHBDMN CCOc1ccccc1[C@@H](CC)NC(=O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180438585 837258028 /nfs/dbraw/zinc/25/80/28/837258028.db2.gz IMCLNXBAXXULIA-HNAYVOBHSA-N 0 1 385.464 3.912 20 5 GHBDMN COc1ccc(CN[C@@H](C)c2cnn(C)c2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000610273033 837331466 /nfs/dbraw/zinc/33/14/66/837331466.db2.gz SREHYSHUKWSGID-HNNXBMFYSA-N 0 1 396.447 3.767 20 5 GHBDMN C[C@@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(-c2cccnc2)cc1 ZINC000181276876 837927995 /nfs/dbraw/zinc/92/79/95/837927995.db2.gz GNMDOGHDNOJTEY-CQSZACIVSA-N 0 1 376.416 3.607 20 5 GHBDMN Cc1ccc(CN2CCSCC2)cc1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000109853305 838231033 /nfs/dbraw/zinc/23/10/33/838231033.db2.gz BRHPWCOVYLUTPO-UHFFFAOYSA-N 0 1 385.489 3.633 20 5 GHBDMN C[C@@H]1C[C@@H](NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CN1C1CC1 ZINC000275658461 838245087 /nfs/dbraw/zinc/24/50/87/838245087.db2.gz MLUPLCIJIRJYAD-BXUZGUMPSA-N 0 1 397.425 3.727 20 5 GHBDMN COc1ccc(NC(=O)[C@H](C)N(C)CC2(c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000189308570 838252661 /nfs/dbraw/zinc/25/26/61/838252661.db2.gz UUAVRXNFXDVVCP-HNNXBMFYSA-N 0 1 383.448 3.594 20 5 GHBDMN CC1(C)CN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CCN1Cc1ccccc1 ZINC000535695430 844316377 /nfs/dbraw/zinc/31/63/77/844316377.db2.gz ASLPVCYWUWKHAA-UHFFFAOYSA-N 0 1 392.459 3.813 20 5 GHBDMN C[C@H](N[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000189782430 838402840 /nfs/dbraw/zinc/40/28/40/838402840.db2.gz VJPNRNFDEHQBNW-DJJJIMSYSA-N 0 1 389.402 3.715 20 5 GHBDMN COc1cccc(C=C2CCN(C[C@H](O)COc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000472950507 838722908 /nfs/dbraw/zinc/72/29/08/838722908.db2.gz KTRIXJVMEZYIFF-FQEVSTJZSA-N 0 1 398.459 3.523 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N2CCCC[C@@H]2CCC(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC000416255800 838813525 /nfs/dbraw/zinc/81/35/25/838813525.db2.gz XRXQHEWQRNEAJD-CYBMUJFWSA-N 0 1 394.472 3.558 20 5 GHBDMN O=C(Nc1c[nH]nc1[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1)C1CCCC1 ZINC000378550568 839321355 /nfs/dbraw/zinc/32/13/55/839321355.db2.gz OUBRYKNHYGHTLE-QGZVFWFLSA-N 0 1 397.479 3.826 20 5 GHBDMN CCC[C@H]1CN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC001266608991 839490033 /nfs/dbraw/zinc/49/00/33/839490033.db2.gz WOLMYUPRNGCHFI-FQEVSTJZSA-N 0 1 399.466 3.790 20 5 GHBDMN Cc1cc(C)cc(C2=CCN(C[C@H](O)COc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000544129174 840489733 /nfs/dbraw/zinc/48/97/33/840489733.db2.gz VASFPOVKTVEFEY-FQEVSTJZSA-N 0 1 382.460 3.741 20 5 GHBDMN O=C(CN[C@@H]1CCCCc2ccc([N+](=O)[O-])cc21)N[C@H]1CCOc2ccccc21 ZINC000417330578 840731997 /nfs/dbraw/zinc/73/19/97/840731997.db2.gz KZZALMMIHNQPCP-UXHICEINSA-N 0 1 395.459 3.592 20 5 GHBDMN O=[N+]([O-])c1ccc(NS(=O)(=O)Cc2cccc(Cl)c2)c2cccnc21 ZINC000581451535 841444311 /nfs/dbraw/zinc/44/43/11/841444311.db2.gz HRHFWPRZHADVCW-UHFFFAOYSA-N 0 1 377.809 3.738 20 5 GHBDMN O=[N+]([O-])c1cc(CN[C@H]2CCN(c3ccc(Br)cc3)C2)cs1 ZINC000236717591 841597182 /nfs/dbraw/zinc/59/71/82/841597182.db2.gz GYDZRRQEMFWKBK-ZDUSSCGKSA-N 0 1 382.283 3.787 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133262 841850884 /nfs/dbraw/zinc/85/08/84/841850884.db2.gz UYXOMPVYXUXFHN-XMSQKQJNSA-N 0 1 397.475 3.941 20 5 GHBDMN Cc1c([C@H](C)NCC(=O)Nc2ccc(Br)cc2)cccc1[N+](=O)[O-] ZINC000481404020 861292530 /nfs/dbraw/zinc/29/25/30/861292530.db2.gz TUMXNQJGOXUBKO-LBPRGKRZSA-N 0 1 392.253 3.955 20 5 GHBDMN Cc1c([C@@H](C)NCC(=O)Nc2ccc(Br)cc2)cccc1[N+](=O)[O-] ZINC000481404019 861293798 /nfs/dbraw/zinc/29/37/98/861293798.db2.gz TUMXNQJGOXUBKO-GFCCVEGCSA-N 0 1 392.253 3.955 20 5 GHBDMN C[C@@H]1CN(C[C@H]2CCCN2c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C[C@@H](C)O1 ZINC000302548723 861299542 /nfs/dbraw/zinc/29/95/42/861299542.db2.gz VKYUSQJRZZDQFZ-ZHALLVOQSA-N 0 1 396.491 3.735 20 5 GHBDMN CN(C)Cc1ccsc1C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000279302696 842862966 /nfs/dbraw/zinc/86/29/66/842862966.db2.gz LXSUNPVILOVPDB-UHFFFAOYSA-N 0 1 387.383 3.667 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN(Cc1ccccc1)[C@@H](C)C1CC1 ZINC000024672914 843085808 /nfs/dbraw/zinc/08/58/08/843085808.db2.gz XGZIZLOIAHAMPY-HNNXBMFYSA-N 0 1 383.448 3.843 20 5 GHBDMN COc1cc(C(=O)Nc2nc(-c3ccc(F)cc3)ns2)c([N+](=O)[O-])cc1F ZINC001126236722 843253550 /nfs/dbraw/zinc/25/35/50/843253550.db2.gz MNZDWIQHKQZJNP-UHFFFAOYSA-N 0 1 392.343 3.652 20 5 GHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCCCC[C@@H]1[C@H]1CCCCC1=O ZINC000610664415 843441896 /nfs/dbraw/zinc/44/18/96/843441896.db2.gz JNBDSRKZRKCSTI-RHSMWYFYSA-N 0 1 384.436 3.615 20 5 GHBDMN CCCN1C(=O)c2ccc(Cl)cc2N[C@H]1c1cc(OC)c(O)c([N+](=O)[O-])c1 ZINC000603940752 861424353 /nfs/dbraw/zinc/42/43/53/861424353.db2.gz XMHKBFVYMWIRLZ-QGZVFWFLSA-N 0 1 391.811 3.939 20 5 GHBDMN COc1cc(CN[C@@H](C)c2ccc3n[nH]cc3c2)c([N+](=O)[O-])cc1OC(F)F ZINC000513174617 845010381 /nfs/dbraw/zinc/01/03/81/845010381.db2.gz WPNARZRSSLGKBL-JTQLQIEISA-N 0 1 392.362 3.932 20 5 GHBDMN CC1(C)C[C@H](N[C@@H]2CCN(Cc3ccc(F)cc3)C2=O)c2cc([N+](=O)[O-])ccc21 ZINC000433062354 845107259 /nfs/dbraw/zinc/10/72/59/845107259.db2.gz OFXTVTCEVCKEHZ-UXHICEINSA-N 0 1 397.450 3.847 20 5 GHBDMN CCOc1ccc([C@@H](C)N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC ZINC000047608573 845206233 /nfs/dbraw/zinc/20/62/33/845206233.db2.gz KDGXYNVKSRVIDQ-ZIAGYGMSSA-N 0 1 387.436 3.680 20 5 GHBDMN Cc1ccc2nc([C@@H]3CCCN3C(=O)c3[nH]nc(C(C)C)c3[N+](=O)[O-])[nH]c2c1 ZINC000433746704 845267073 /nfs/dbraw/zinc/26/70/73/845267073.db2.gz ATDCFPZNNYPXDA-AWEZNQCLSA-N 0 1 382.424 3.603 20 5 GHBDMN Cc1ccc2[nH]c([C@@H]3CCCN3C(=O)c3n[nH]c(C(C)C)c3[N+](=O)[O-])nc2c1 ZINC000433746704 845267081 /nfs/dbraw/zinc/26/70/81/845267081.db2.gz ATDCFPZNNYPXDA-AWEZNQCLSA-N 0 1 382.424 3.603 20 5 GHBDMN Cc1ccc2nc([C@@H]3CCCN3C(=O)c3n[nH]c(C(C)C)c3[N+](=O)[O-])[nH]c2c1 ZINC000433746704 845267094 /nfs/dbraw/zinc/26/70/94/845267094.db2.gz ATDCFPZNNYPXDA-AWEZNQCLSA-N 0 1 382.424 3.603 20 5 GHBDMN CC(C)Oc1ccc([C@@H](C)NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cc1 ZINC000182629678 845482002 /nfs/dbraw/zinc/48/20/02/845482002.db2.gz CZKWDMIWGOJGQA-OAHLLOKOSA-N 0 1 383.448 3.622 20 5 GHBDMN CCO[C@H]1C[C@@H](N(C)Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C12CCCCC2 ZINC001167540022 846108201 /nfs/dbraw/zinc/10/82/01/846108201.db2.gz UICFAZBVYMRYPU-MOPGFXCFSA-N 0 1 390.480 3.941 20 5 GHBDMN COc1cccc(-c2nc(C)c(C(=O)N3CCc4ccc([N+](=O)[O-])cc43)[nH]2)c1 ZINC000162520123 861790644 /nfs/dbraw/zinc/79/06/44/861790644.db2.gz TYOFITYJFQQRHP-UHFFFAOYSA-N 0 1 378.388 3.505 20 5 GHBDMN O=[N+]([O-])c1cnc2ccc(N3CCC[C@@H]3c3nc4ccc(Cl)cc4[nH]3)nn21 ZINC000502359594 847798779 /nfs/dbraw/zinc/79/87/79/847798779.db2.gz YXFGLTDMWJIXCD-CYBMUJFWSA-N 0 1 383.799 3.509 20 5 GHBDMN Cc1ccc([C@@H](C)N[C@H](C)C(=O)Nc2ccc3c(c2)OCCCO3)cc1[N+](=O)[O-] ZINC000178690706 848541884 /nfs/dbraw/zinc/54/18/84/848541884.db2.gz XFDGNAKDRMJYGW-HUUCEWRRSA-N 0 1 399.447 3.742 20 5 GHBDMN Cc1ccc(Sc2ccc(CN3CCC[C@H](C(N)=O)C3)cc2[N+](=O)[O-])cc1 ZINC000434990589 849978788 /nfs/dbraw/zinc/97/87/88/849978788.db2.gz JOFBJFNQDKZUAF-INIZCTEOSA-N 0 1 385.489 3.752 20 5 GHBDMN CN1CC[C@@H](NCc2c(F)cc([N+](=O)[O-])cc2F)[C@H]1c1ccc(F)c(F)c1 ZINC000519036318 850534358 /nfs/dbraw/zinc/53/43/58/850534358.db2.gz UDHCQAHTSMOMIA-QZTJIDSGSA-N 0 1 383.345 3.686 20 5 GHBDMN COc1ccc([C@H](CNC(=O)c2cccc(C)c2[N+](=O)[O-])N2CCCCC2)cc1 ZINC000027667073 850634423 /nfs/dbraw/zinc/63/44/23/850634423.db2.gz QXRDVRIPDVUXGT-FQEVSTJZSA-N 0 1 397.475 3.869 20 5 GHBDMN CC[C@H](C)Oc1cccc(NS(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)c1 ZINC000488248242 851309648 /nfs/dbraw/zinc/30/96/48/851309648.db2.gz CCMPPWLGERJAIK-NSHDSACASA-N 0 1 398.412 3.721 20 5 GHBDMN COc1c(F)cc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] ZINC000488253661 851313874 /nfs/dbraw/zinc/31/38/74/851313874.db2.gz QBGJSBWLIKIMAH-UHFFFAOYSA-N 0 1 395.195 3.850 20 5 GHBDMN Cc1c(NC(=O)[C@@H](C)N2CC3(CCC3)[C@H]2C2CCOCC2)cccc1[N+](=O)[O-] ZINC000425546319 851613643 /nfs/dbraw/zinc/61/36/43/851613643.db2.gz DPXMMRLLYPVBQT-DNVCBOLYSA-N 0 1 387.480 3.511 20 5 GHBDMN COc1cc(OC)cc(-c2nnc(SCc3cc(O)ccc3[N+](=O)[O-])o2)c1 ZINC000436473395 851959993 /nfs/dbraw/zinc/95/99/93/851959993.db2.gz IJOYOJKBXSQLCP-UHFFFAOYSA-N 0 1 389.389 3.660 20 5 GHBDMN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000843757487 852059637 /nfs/dbraw/zinc/05/96/37/852059637.db2.gz BBCSDDFQYLSPQC-HNNXBMFYSA-N 0 1 377.441 3.671 20 5 GHBDMN CC[C@H](C)c1nc([C@H](C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])n[nH]1 ZINC000489188034 852101110 /nfs/dbraw/zinc/10/11/10/852101110.db2.gz WUELBFOPDJKVRI-GARJFASQSA-N 0 1 395.847 3.525 20 5 GHBDMN CC1(C)CN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CCN1Cc1ccccc1 ZINC000729470014 852115543 /nfs/dbraw/zinc/11/55/43/852115543.db2.gz MJDFCKYFDPSFME-UHFFFAOYSA-N 0 1 394.475 3.580 20 5 GHBDMN O=C(CN1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1)Nc1ccccc1[N+](=O)[O-] ZINC000516116535 852163481 /nfs/dbraw/zinc/16/34/81/852163481.db2.gz MUIRLQJNRXWSSN-KRWDZBQOSA-N 0 1 399.838 3.900 20 5 GHBDMN CN(CCOc1ccccc1[N+](=O)[O-])[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000517626250 852167894 /nfs/dbraw/zinc/16/78/94/852167894.db2.gz YKXTZOAFIDOTHA-WMZOPIPTSA-N 0 1 397.258 3.871 20 5 GHBDMN COc1ccc(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1OC1CCCC1 ZINC000506196200 852185899 /nfs/dbraw/zinc/18/58/99/852185899.db2.gz WMBHIWUWVBTMRV-UHFFFAOYSA-N 0 1 386.404 3.560 20 5 GHBDMN CC(C)(C)OC(=O)Nc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000732524472 862335897 /nfs/dbraw/zinc/33/58/97/862335897.db2.gz FJEPIZVIILFHGP-UHFFFAOYSA-N 0 1 393.421 3.743 20 5 GHBDMN CCC[C@@H](NC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)c1nn[nH]n1 ZINC000426878879 852501041 /nfs/dbraw/zinc/50/10/41/852501041.db2.gz MKDZFRSSYNBMBX-MRXNPFEDSA-N 0 1 398.448 3.530 20 5 GHBDMN Cc1ccc(C)n1C1CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000507375201 852828904 /nfs/dbraw/zinc/82/89/04/852828904.db2.gz AKQNEGXWHZVGST-KRWDZBQOSA-N 0 1 384.480 3.986 20 5 GHBDMN CN(C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc(F)cc1 ZINC000437209973 852866898 /nfs/dbraw/zinc/86/68/98/852866898.db2.gz CAORVJLTPUUXRN-INIZCTEOSA-N 0 1 399.344 3.785 20 5 GHBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)[C@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000490342960 852948307 /nfs/dbraw/zinc/94/83/07/852948307.db2.gz IZFCGPTXWZSZIR-CABCVRRESA-N 0 1 383.795 3.776 20 5 GHBDMN C[N@@H+](Cc1ccccc1CNC(=O)c1cc([O-])ccc1[N+](=O)[O-])C1CCCCC1 ZINC000507501253 852979406 /nfs/dbraw/zinc/97/94/06/852979406.db2.gz MRFJERIENOZLSL-UHFFFAOYSA-N 0 1 397.475 3.995 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2nc(CNC[C@@]3(CO)C[C@H]3c3ccccc3)cs2)c1 ZINC000519610103 853033177 /nfs/dbraw/zinc/03/31/77/853033177.db2.gz HWAARZCCJBYVBC-PZJWPPBQSA-N 0 1 395.484 3.974 20 5 GHBDMN C[C@H](c1ccccc1Cl)[NH+]1CCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000518381145 853278192 /nfs/dbraw/zinc/27/81/92/853278192.db2.gz IMQAVBKXUUMAJT-CYBMUJFWSA-N 0 1 389.839 3.830 20 5 GHBDMN C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)N1CC[C@@H](C2CC2)C1 ZINC000491159964 853474384 /nfs/dbraw/zinc/47/43/84/853474384.db2.gz FRTSHGMASCTMOL-IUODEOHRSA-N 0 1 386.477 3.777 20 5 GHBDMN COc1ccc(C[C@H]2CCCN(CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000519797897 853513630 /nfs/dbraw/zinc/51/36/30/853513630.db2.gz VQLQWAJIIVAHEZ-GOSISDBHSA-N 0 1 397.475 3.521 20 5 GHBDMN O=C(C[C@H]1CCCc2ccccc21)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000518658267 853600200 /nfs/dbraw/zinc/60/02/00/853600200.db2.gz PKRISXDROZNFPU-CQSZACIVSA-N 0 1 377.404 3.829 20 5 GHBDMN CC[C@](C)(C(=O)[O-])[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CC1CC1 ZINC000570986336 853705452 /nfs/dbraw/zinc/70/54/52/853705452.db2.gz ZUSBFTDPSQWTBK-HXUWFJFHSA-N 0 1 387.436 3.758 20 5 GHBDMN CC[C@@H](N[C@H](C)c1cccc(NS(C)(=O)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000164258896 853798400 /nfs/dbraw/zinc/79/84/00/853798400.db2.gz PISXIIHDWRWHTM-FZKQIMNGSA-N 0 1 377.466 3.768 20 5 GHBDMN Cc1nc2ccc(NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)cc2[nH]1 ZINC000055416666 853906883 /nfs/dbraw/zinc/90/68/83/853906883.db2.gz CKXXWCQZZTYRLZ-UHFFFAOYSA-N 0 1 382.423 3.978 20 5 GHBDMN CCO[C@@H]1C[C@@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)[C@H]1n1cccn1 ZINC000550327651 854207007 /nfs/dbraw/zinc/20/70/07/854207007.db2.gz ZTNDFXMSDBKNBL-NSISKUIASA-N 0 1 382.420 3.560 20 5 GHBDMN O=C([O-])Cc1ccc(NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000572042835 854342741 /nfs/dbraw/zinc/34/27/41/854342741.db2.gz DZGHSXLCOCFOCL-IBGZPJMESA-N 0 1 397.475 3.936 20 5 GHBDMN Cc1cnc(-c2cccc(NS(=O)(=O)c3c(C)cc([N+](=O)[O-])cc3C)c2)o1 ZINC000481980297 862590145 /nfs/dbraw/zinc/59/01/45/862590145.db2.gz KTOOOUOCHXLVLT-UHFFFAOYSA-N 0 1 387.417 3.976 20 5 GHBDMN O=[N+]([O-])c1cc(I)cc(CNCc2cccc(F)c2)c1 ZINC000589308798 854801609 /nfs/dbraw/zinc/80/16/09/854801609.db2.gz CXOJUFOPZRRPOJ-UHFFFAOYSA-N 0 1 386.164 3.628 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2nnc(CN3CCC[C@@H]3Cc3cccc(F)c3)o2)cc1 ZINC000120904890 854844592 /nfs/dbraw/zinc/84/45/92/854844592.db2.gz OQZDJZMUUBMFOY-GOSISDBHSA-N 0 1 382.395 3.991 20 5 GHBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN2C[C@@H](C)C[C@@H]2c2cccc(OC)c2)c1 ZINC000589510602 854972414 /nfs/dbraw/zinc/97/24/14/854972414.db2.gz NKAPOURDHNONMM-VBKZILBWSA-N 0 1 384.432 3.973 20 5 GHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccccc2COc2ccccc2)cc1 ZINC000055688122 855378457 /nfs/dbraw/zinc/37/84/57/855378457.db2.gz NXMOTZJBNWXSLE-UHFFFAOYSA-N 0 1 384.413 3.975 20 5 GHBDMN COC(=O)c1c(Cl)c(N[C@@H]2CCN(C)[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000590583579 855499071 /nfs/dbraw/zinc/49/90/71/855499071.db2.gz ZGNJMPIMHPMVIJ-KDOFPFPSSA-N 0 1 389.839 3.892 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000133797519 862704318 /nfs/dbraw/zinc/70/43/18/862704318.db2.gz CVLKPOGCUPQWAQ-CABCVRRESA-N 0 1 391.493 3.565 20 5 GHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(OC(F)F)cc2)c2ncccc12 ZINC000184774032 855827461 /nfs/dbraw/zinc/82/74/61/855827461.db2.gz NCVHJBCENIZVBP-UHFFFAOYSA-N 0 1 395.343 3.545 20 5 GHBDMN Cc1ccc([C@@H](CNC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)N2CCCC2)o1 ZINC000171227292 856047263 /nfs/dbraw/zinc/04/72/63/856047263.db2.gz NTZHTVLCEPUBRU-MAUKXSAKSA-N 0 1 386.452 3.694 20 5 GHBDMN CCCCN(CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCc2ncsc2C1 ZINC000592188401 856685587 /nfs/dbraw/zinc/68/55/87/856685587.db2.gz OQBBJPWGZMULAA-CQSZACIVSA-N 0 1 388.493 3.649 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(Cc1ccccc1)[C@H](CO)C1CCC1 ZINC000592139494 856688703 /nfs/dbraw/zinc/68/87/03/856688703.db2.gz GSGBWZHRKUYLMC-OAQYLSRUSA-N 0 1 397.475 3.505 20 5 GHBDMN COc1cccc(N2CCCN(Cc3ccc(Cl)cc3)CC2)c1[N+](=O)[O-] ZINC000574006160 856853044 /nfs/dbraw/zinc/85/30/44/856853044.db2.gz LNXMSCHCJMYDKO-UHFFFAOYSA-N 0 1 375.856 3.969 20 5 GHBDMN CN(C)[C@@H](CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000173660100 857063333 /nfs/dbraw/zinc/06/33/33/857063333.db2.gz CGYBYAOJSBCQCN-INIZCTEOSA-N 0 1 399.344 3.785 20 5 GHBDMN CCCc1[nH]nc(C(=O)N2CCC[C@H](c3nc(C(C)C)cs3)C2)c1[N+](=O)[O-] ZINC000173948977 857185346 /nfs/dbraw/zinc/18/53/46/857185346.db2.gz FCMVIBPCTMAVPA-LBPRGKRZSA-N 0 1 391.497 3.870 20 5 GHBDMN COc1ccc(Oc2ccc([N+](=O)[O-])cc2-c2nc([C@@H]3CCCN3)no2)cc1 ZINC000592356629 857193732 /nfs/dbraw/zinc/19/37/32/857193732.db2.gz BNPGAHFLEPEIBS-INIZCTEOSA-N 0 1 382.376 3.870 20 5 GHBDMN Cc1ccc(CNC(=O)C2CCN(C/C=C\c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000255226003 857603872 /nfs/dbraw/zinc/60/38/72/857603872.db2.gz MEFXRWFCCJVXON-XQRVVYSFSA-N 0 1 393.487 3.945 20 5 GHBDMN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc3[nH]c(-c4ccco4)nc3c2)c1 ZINC000442341980 857755260 /nfs/dbraw/zinc/75/52/60/857755260.db2.gz AFFVKWYQQBYPMI-UHFFFAOYSA-N 0 1 384.373 3.532 20 5 GHBDMN CCCc1[nH]nc(C(=O)N2CCc3cc(Cl)cc(Cl)c3C2)c1[N+](=O)[O-] ZINC000439059676 858162667 /nfs/dbraw/zinc/16/26/67/858162667.db2.gz XQAHTCFYLSVRIK-UHFFFAOYSA-N 0 1 383.235 3.776 20 5 GHBDMN CC[C@@H](N[C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccccc1OCC(=O)N(C)C ZINC000594502071 858194548 /nfs/dbraw/zinc/19/45/48/858194548.db2.gz COPZAOSYUKSWKR-MOPGFXCFSA-N 0 1 397.475 3.790 20 5 GHBDMN C[C@H]1CC[C@@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CS1(=O)=O ZINC000594973818 858336264 /nfs/dbraw/zinc/33/62/64/858336264.db2.gz FKZLXXWBDAGEGG-NWDGAFQWSA-N 0 1 398.868 3.564 20 5 GHBDMN CCCCN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@@H]1CCc2ncsc2C1 ZINC000592899795 858364731 /nfs/dbraw/zinc/36/47/31/858364731.db2.gz DIWYBJRCKBXBPM-CYBMUJFWSA-N 0 1 375.450 3.557 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2ccc(CN3CC4(C3)CCOC4)o2)c(Br)c1 ZINC000521921562 858434266 /nfs/dbraw/zinc/43/42/66/858434266.db2.gz HVHZZVDQYQOYCB-UHFFFAOYSA-N 0 1 393.237 3.840 20 5 GHBDMN O=C([O-])[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@H]1c1ccccc1 ZINC000595279492 858459649 /nfs/dbraw/zinc/45/96/49/858459649.db2.gz RLTNKVFPSVGLEF-JKSUJKDBSA-N 0 1 394.349 3.914 20 5 GHBDMN Cc1cc(N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000592978135 858481019 /nfs/dbraw/zinc/48/10/19/858481019.db2.gz KYHKKUIYQVJJFD-WBVHZDCISA-N 0 1 383.448 3.924 20 5 GHBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000575087582 858578728 /nfs/dbraw/zinc/57/87/28/858578728.db2.gz ATTDYDUGRSKFPG-KRWDZBQOSA-N 0 1 382.338 3.893 20 5 GHBDMN CN(C(=O)CNC1(c2ccc(C(F)(F)F)cc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000593111961 858658257 /nfs/dbraw/zinc/65/82/57/858658257.db2.gz CXISMWPWLDOOKJ-UHFFFAOYSA-N 0 1 393.365 3.855 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N(C)C[C@@H]1CCc2ccccc21 ZINC000595877889 858724505 /nfs/dbraw/zinc/72/45/05/858724505.db2.gz LFYALFJTDCOFIB-HOCLYGCPSA-N 0 1 383.448 3.592 20 5 GHBDMN COc1cccc([C@@H]2C[C@H](C)CN2CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)c1 ZINC000543181934 858757013 /nfs/dbraw/zinc/75/70/13/858757013.db2.gz RCUJGYXQKOSVDG-BTYIYWSLSA-N 0 1 395.459 3.576 20 5 GHBDMN CCC(=O)c1cccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c3ncccc23)c1 ZINC000184964446 858758843 /nfs/dbraw/zinc/75/88/43/858758843.db2.gz XOHFCKNHFPXUJW-UHFFFAOYSA-N 0 1 385.401 3.537 20 5 GHBDMN CC(C)(NC[C@@H](O)COc1ccccc1C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000429266961 858869593 /nfs/dbraw/zinc/86/95/93/858869593.db2.gz LGANDVQBXCAXAJ-CYBMUJFWSA-N 0 1 398.381 3.878 20 5 GHBDMN O=C(NC[C@@H](c1ccco1)N1CCCC1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000160753827 859149885 /nfs/dbraw/zinc/14/98/85/859149885.db2.gz ITHLLDKZYXTGQV-IBGZPJMESA-N 0 1 398.463 3.699 20 5 GHBDMN COc1ccc(C[C@@H](C)N2CCC([C@@](C)(O)C(F)(F)F)CC2)c([N+](=O)[O-])c1 ZINC001170353449 881388478 /nfs/dbraw/zinc/38/84/78/881388478.db2.gz YJCHWMAQQHABIN-SJKOYZFVSA-N 0 1 390.402 3.560 20 5 GHBDMN O=C(NC[C@H]1CCN1Cc1ccccc1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000596955002 859193138 /nfs/dbraw/zinc/19/31/38/859193138.db2.gz OHJFRXRRVDZCLR-OAQYLSRUSA-N 0 1 394.475 3.543 20 5 GHBDMN CCN(CCc1ccccn1)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000764316173 859377548 /nfs/dbraw/zinc/37/75/48/859377548.db2.gz UOCOGUFUPTYOEE-ZDUSSCGKSA-N 0 1 376.844 3.535 20 5 GHBDMN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000593333378 859445527 /nfs/dbraw/zinc/44/55/27/859445527.db2.gz VMVJJQXHSZMDOG-CQSZACIVSA-N 0 1 397.225 3.912 20 5 GHBDMN CN1CC2(C1)CCN(C(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-])C2 ZINC000597568119 859642100 /nfs/dbraw/zinc/64/21/00/859642100.db2.gz KQLRYTKAEUMXMG-UHFFFAOYSA-N 0 1 383.473 3.524 20 5 GHBDMN C[C@@](O)(CNCc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccccc1Cl ZINC000764983555 859725250 /nfs/dbraw/zinc/72/52/50/859725250.db2.gz PGGLKJHLKIXTQP-QGZVFWFLSA-N 0 1 386.782 3.847 20 5 GHBDMN Cc1nn(CN(CCc2ccccc2)[C@H]2CCOC2)c2ccc([N+](=O)[O-])cc12 ZINC000765071446 859764859 /nfs/dbraw/zinc/76/48/59/859764859.db2.gz YADKZOSZWQYWNJ-IBGZPJMESA-N 0 1 380.448 3.544 20 5 GHBDMN O=C(NCc1nc2ccc(Cl)cc2[nH]1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000611514019 859796068 /nfs/dbraw/zinc/79/60/68/859796068.db2.gz QZVSXBFHFKXSEY-UHFFFAOYSA-N 0 1 396.737 3.656 20 5 GHBDMN COc1cc(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)cc(Br)c1O ZINC000922542826 860169874 /nfs/dbraw/zinc/16/98/74/860169874.db2.gz CSRXBRYVSKOYDC-SNVBAGLBSA-N 0 1 381.226 3.922 20 5 GHBDMN CC(C)N(CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@@H](C)c1ccccc1 ZINC000428885947 860208946 /nfs/dbraw/zinc/20/89/46/860208946.db2.gz YAPPCNUSQRSREI-AWEZNQCLSA-N 0 1 385.420 3.734 20 5 GHBDMN CCN(C(=O)c1n[nH]c(C)c1[N+](=O)[O-])[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000598452076 860317010 /nfs/dbraw/zinc/31/70/10/860317010.db2.gz GRUXDFQWXDVQIU-JTQLQIEISA-N 0 1 384.358 3.738 20 5 GHBDMN Cc1ccc2c(c1Br)CN(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])C2 ZINC000598469831 860335341 /nfs/dbraw/zinc/33/53/41/860335341.db2.gz UMXLJBPSFFTYHR-UHFFFAOYSA-N 0 1 393.241 3.668 20 5 GHBDMN COc1cc(CN2CC[C@@H](c3ccc4cccnc4n3)C2)c([N+](=O)[O-])cc1F ZINC000602888115 860339279 /nfs/dbraw/zinc/33/92/79/860339279.db2.gz PEUFTUPUWIOTTB-CQSZACIVSA-N 0 1 382.395 3.675 20 5 GHBDMN O=[N+]([O-])c1cc(F)c(CN2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)c(F)c1 ZINC000508992808 860459084 /nfs/dbraw/zinc/45/90/84/860459084.db2.gz WGOAAHAKHNTMDS-KRWDZBQOSA-N 0 1 385.374 3.995 20 5 GHBDMN O=[N+]([O-])c1cc(F)c(CN2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)c(F)c1 ZINC000508992808 860459086 /nfs/dbraw/zinc/45/90/86/860459086.db2.gz WGOAAHAKHNTMDS-KRWDZBQOSA-N 0 1 385.374 3.995 20 5 GHBDMN CCC[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(OC)cc1 ZINC000542665303 860474488 /nfs/dbraw/zinc/47/44/88/860474488.db2.gz BEYGDRDQHZVVRN-IBGZPJMESA-N 0 1 392.477 3.508 20 5 GHBDMN CN(c1ccccc1)c1ccc(CN[C@H]2CCN(C3CCC3)C2=O)cc1[N+](=O)[O-] ZINC000599020018 860743321 /nfs/dbraw/zinc/74/33/21/860743321.db2.gz MDWKMZTUJLUPGW-IBGZPJMESA-N 0 1 394.475 3.606 20 5 GHBDMN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](C)N1CCc2ccccc2C1 ZINC000025634736 860939249 /nfs/dbraw/zinc/93/92/49/860939249.db2.gz HFSHFIFQNICWHF-HZPDHXFCSA-N 0 1 399.516 3.638 20 5 GHBDMN O=C(Nc1nc(-c2ccccc2Cl)n[nH]1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000603670845 861002198 /nfs/dbraw/zinc/00/21/98/861002198.db2.gz BEQQQTXPNSDTAQ-UHFFFAOYSA-N 0 1 398.810 3.860 20 5 GHBDMN Cc1c(Cl)cc(S(=O)(=O)Nc2ccc3scnc3c2)cc1[N+](=O)[O-] ZINC000499231206 881634207 /nfs/dbraw/zinc/63/42/07/881634207.db2.gz HNXIQLPUGJELLA-UHFFFAOYSA-N 0 1 383.838 3.967 20 5 GHBDMN CCc1[nH]nc(C(=O)N2CCC[C@H]2Cc2c(F)cccc2Cl)c1[N+](=O)[O-] ZINC000444040715 863201506 /nfs/dbraw/zinc/20/15/06/863201506.db2.gz ZJERZFSXZGIUIW-JTQLQIEISA-N 0 1 380.807 3.520 20 5 GHBDMN Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccc2nc(Cc3ccccc3F)[nH]c2c1 ZINC000522838121 863527899 /nfs/dbraw/zinc/52/78/99/863527899.db2.gz DORHKFLDSMUGRN-UHFFFAOYSA-N 0 1 393.378 3.792 20 5 GHBDMN CCc1[nH]nc(C(=O)N2Cc3ccccc3C[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000444297362 863831961 /nfs/dbraw/zinc/83/19/61/863831961.db2.gz YAAYUIBLVSCCMA-SFHVURJKSA-N 0 1 376.416 3.820 20 5 GHBDMN CCc1[nH]nc(C(=O)N2CCc3cc(Cl)c(Cl)cc3[C@@H]2C)c1[N+](=O)[O-] ZINC000444298142 863832905 /nfs/dbraw/zinc/83/29/05/863832905.db2.gz VWNGNZWUOBJOMN-QMMMGPOBSA-N 0 1 383.235 3.947 20 5 GHBDMN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)O[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000735209869 864668752 /nfs/dbraw/zinc/66/87/52/864668752.db2.gz AKPJCELJBKQISE-CRAIPNDOSA-N 0 1 386.473 3.893 20 5 GHBDMN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)O[C@@H]1CCN(Cc2ccccc2)C1 ZINC000735209869 864668757 /nfs/dbraw/zinc/66/87/57/864668757.db2.gz AKPJCELJBKQISE-CRAIPNDOSA-N 0 1 386.473 3.893 20 5 GHBDMN C[C@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000716275983 865383192 /nfs/dbraw/zinc/38/31/92/865383192.db2.gz DUMSCTCDICUCRF-IFXJQAMLSA-N 0 1 387.867 3.889 20 5 GHBDMN CCOC(=O)c1ccnc(N2CCC[C@H]2c2nc3ccc(C)cc3[nH]2)c1[N+](=O)[O-] ZINC000555288676 865851278 /nfs/dbraw/zinc/85/12/78/865851278.db2.gz GVLBLBBFTNTTAY-INIZCTEOSA-N 0 1 395.419 3.693 20 5 GHBDMN COc1ccc(OCCN2CCC(N(C)c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000494563160 881917469 /nfs/dbraw/zinc/91/74/69/881917469.db2.gz NCSBVKBYHMXSHK-UHFFFAOYSA-N 0 1 385.464 3.583 20 5 GHBDMN O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000444408203 866081662 /nfs/dbraw/zinc/08/16/62/866081662.db2.gz RDHFQBZJPFTECK-UHFFFAOYSA-N 0 1 382.464 3.584 20 5 GHBDMN C[C@](O)(CNCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)C(F)(F)F ZINC000534095198 866125131 /nfs/dbraw/zinc/12/51/31/866125131.db2.gz QTFJVCVLXFMYTB-INIZCTEOSA-N 0 1 388.317 3.929 20 5 GHBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC001170425901 881947134 /nfs/dbraw/zinc/94/71/34/881947134.db2.gz URBKYBAAWGQYBT-MRXNPFEDSA-N 0 1 399.403 3.669 20 5 GHBDMN O=C(Cc1ccccc1[N+](=O)[O-])Nc1cc(Br)cc(Cl)c1O ZINC000534205913 866269993 /nfs/dbraw/zinc/26/99/93/866269993.db2.gz HENGAZXGWKYAJQ-UHFFFAOYSA-N 0 1 385.601 3.898 20 5 GHBDMN COc1ccc(CN[C@H]2CCCc3nn(-c4ccccc4)cc32)cc1[N+](=O)[O-] ZINC000479071375 867092777 /nfs/dbraw/zinc/09/27/77/867092777.db2.gz SSHCWDJEAXHWKG-SFHVURJKSA-N 0 1 378.432 3.956 20 5 GHBDMN O=C(Nc1nc(-c2cccnc2)ns1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001127220953 867093676 /nfs/dbraw/zinc/09/36/76/867093676.db2.gz DRGZILVYOBPARY-UHFFFAOYSA-N 0 1 395.322 3.779 20 5 GHBDMN Cc1cccc2nc(CNC(=O)c3cccc4c(=O)c5ccccc5[nH]c34)[nH]c21 ZINC000445131260 867843866 /nfs/dbraw/zinc/84/38/66/867843866.db2.gz DHQKYQILRCLBEN-UHFFFAOYSA-N 0 1 382.423 3.796 20 5 GHBDMN COc1cc(CNC[C@@H](C)C(F)(F)F)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000479585291 868139178 /nfs/dbraw/zinc/13/91/78/868139178.db2.gz AEMPVZGSGBTOTP-MRVPVSSYSA-N 0 1 390.280 3.833 20 5 GHBDMN O=C(CSc1nc2ccc(Cl)cc2[nH]1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000021865538 868970856 /nfs/dbraw/zinc/97/08/56/868970856.db2.gz GUGMMJWAARTYQW-UHFFFAOYSA-N 0 1 388.836 3.806 20 5 GHBDMN COc1cc(CNC[C@@H](OC)c2ccc(Cl)cc2)c([N+](=O)[O-])cc1OC ZINC000539513205 869258058 /nfs/dbraw/zinc/25/80/58/869258058.db2.gz PEVJBTYRIODKCP-GOSISDBHSA-N 0 1 380.828 3.743 20 5 GHBDMN Cc1ccccc1CN1CCCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC000027386720 882350522 /nfs/dbraw/zinc/35/05/22/882350522.db2.gz QKHYFLDTMOEWMO-UHFFFAOYSA-N 0 1 399.516 3.730 20 5 GHBDMN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1ccc(CN2CCN(C)CC2)cc1 ZINC000539858999 869908940 /nfs/dbraw/zinc/90/89/40/869908940.db2.gz RZARJYYKHHHXSN-UHFFFAOYSA-N 0 1 396.491 3.520 20 5 GHBDMN Cc1nn(CN2CCC[C@@H]2Cc2ccc(Br)cc2)c(C)c1[N+](=O)[O-] ZINC000920757956 882360066 /nfs/dbraw/zinc/36/00/66/882360066.db2.gz KSQDQCJFJNIICB-MRXNPFEDSA-N 0 1 393.285 3.835 20 5 GHBDMN Cc1ccc(NC(=O)c2ccc(N3CC[N@H+](C)[C@H](C)[C@H]3C)c([N+](=O)[O-])c2)cc1 ZINC000540026517 870238050 /nfs/dbraw/zinc/23/80/50/870238050.db2.gz GHRAKNOHWVHLPF-HZPDHXFCSA-N 0 1 382.464 3.684 20 5 GHBDMN Cc1ccc(NC(=O)c2ccc(N3CCN(C)[C@H](C)[C@H]3C)c([N+](=O)[O-])c2)cc1 ZINC000540026517 870238066 /nfs/dbraw/zinc/23/80/66/870238066.db2.gz GHRAKNOHWVHLPF-HZPDHXFCSA-N 0 1 382.464 3.684 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)NCc2ccc3occc3c2)c1 ZINC001192294617 870271491 /nfs/dbraw/zinc/27/14/91/870271491.db2.gz NWQVZZDRFIOJMB-UHFFFAOYSA-N 0 1 384.772 3.612 20 5 GHBDMN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](c1ccc(F)cc1)N(C)C ZINC000462922298 870456356 /nfs/dbraw/zinc/45/63/56/870456356.db2.gz BSCHQDUWJNUNAG-OXQOHEQNSA-N 0 1 387.455 3.722 20 5 GHBDMN CC[C@@H](C)[C@H](NS(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000525697875 871227998 /nfs/dbraw/zinc/22/79/98/871227998.db2.gz GADYZJJDVPNKJP-ABAIWWIYSA-N 0 1 383.857 3.709 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H]1CCN(CCCc2ccccc2)C1=O ZINC000539123444 871354538 /nfs/dbraw/zinc/35/45/38/871354538.db2.gz MGFDYFBFSWAJKI-UWJYYQICSA-N 0 1 381.476 3.788 20 5 GHBDMN O=C1[C@@H](N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCN1CCCc1ccccc1 ZINC000447583804 871883632 /nfs/dbraw/zinc/88/36/32/871883632.db2.gz CNMZABRRACCFFE-VXKWHMMOSA-N 0 1 393.487 3.796 20 5 GHBDMN COc1c(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000619434395 872646972 /nfs/dbraw/zinc/64/69/72/872646972.db2.gz RXCAWEKDRIYNDN-SFHVURJKSA-N 0 1 383.448 3.560 20 5 GHBDMN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(OCCC(C)C)cc1 ZINC000619467402 872662651 /nfs/dbraw/zinc/66/26/51/872662651.db2.gz FWGCYFSMKQDUQN-UHFFFAOYSA-N 0 1 394.449 3.829 20 5 GHBDMN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(OC2CCCC2)cc1 ZINC000619466718 872662745 /nfs/dbraw/zinc/66/27/45/872662745.db2.gz LVFJKCUSWAGPCJ-UHFFFAOYSA-N 0 1 392.433 3.726 20 5 GHBDMN O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccccc1Nc1ccncc1 ZINC000619582008 872769685 /nfs/dbraw/zinc/76/96/85/872769685.db2.gz UFZRLGQGCPJCIY-UHFFFAOYSA-N 0 1 377.404 3.596 20 5 GHBDMN O=[N+]([O-])c1ccc([C@@H](O)CNCc2cc(Br)ccc2Cl)cc1 ZINC000767915463 872933859 /nfs/dbraw/zinc/93/38/59/872933859.db2.gz CSOLBBFIKTYPLA-HNNXBMFYSA-N 0 1 385.645 3.834 20 5 GHBDMN O=C(CCN[C@H](CO)c1cccc(Cl)c1Cl)Nc1ccc([N+](=O)[O-])cc1 ZINC001196285163 873017034 /nfs/dbraw/zinc/01/70/34/873017034.db2.gz IWRAHXFHYLWDHV-OAHLLOKOSA-N 0 1 398.246 3.553 20 5 GHBDMN CCC[C@@H](Nc1cccc(CN2CCC[C@@H]2C(N)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000183000753 873070562 /nfs/dbraw/zinc/07/05/62/873070562.db2.gz CHHRIEIGCYCGNB-NHCUHLMSSA-N 0 1 396.491 3.998 20 5 GHBDMN CN(C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)c1ccc(Cl)cc1 ZINC000768717879 873516779 /nfs/dbraw/zinc/51/67/79/873516779.db2.gz YKEIWJLOLGGRNN-INIZCTEOSA-N 0 1 382.247 3.934 20 5 GHBDMN CC(C)(C)OC(=O)N1CC[C@H]2[C@H](CCCN2Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC001197167524 873634960 /nfs/dbraw/zinc/63/49/60/873634960.db2.gz IEYNEPWRWVWVCX-WBVHZDCISA-N 0 1 393.459 3.955 20 5 GHBDMN CC(C)(C)OC(=O)N[C@H]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000769063748 873793860 /nfs/dbraw/zinc/79/38/60/873793860.db2.gz KSEYYRGENNZICL-AWEZNQCLSA-N 0 1 387.436 3.954 20 5 GHBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC[C@H](c3cc(C(C)C)n[nH]3)C2)c1 ZINC001197544344 873887008 /nfs/dbraw/zinc/88/70/08/873887008.db2.gz VYYAXMGRZZSHOX-HNNXBMFYSA-N 0 1 386.452 3.608 20 5 GHBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC[C@H](c3cc(C(C)C)[nH]n3)C2)c1 ZINC001197544344 873887026 /nfs/dbraw/zinc/88/70/26/873887026.db2.gz VYYAXMGRZZSHOX-HNNXBMFYSA-N 0 1 386.452 3.608 20 5 GHBDMN C[C@H]1C[C@@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2ccsc2S1 ZINC000541741851 874204996 /nfs/dbraw/zinc/20/49/96/874204996.db2.gz WCRDICCSTKGFSD-XHDPSFHLSA-N 0 1 398.531 3.645 20 5 GHBDMN O=C(CN1CC[C@@H](CSc2ccccc2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000464764732 874453144 /nfs/dbraw/zinc/45/31/44/874453144.db2.gz XPOYRGVPMKUVHQ-MRXNPFEDSA-N 0 1 397.500 3.598 20 5 GHBDMN COc1cccc(-c2noc([C@@H](C)N[C@@H](C)Cc3ccccc3[N+](=O)[O-])n2)c1 ZINC000449279867 874665568 /nfs/dbraw/zinc/66/55/68/874665568.db2.gz UFDUEOGLOALJAD-UONOGXRCSA-N 0 1 382.420 3.935 20 5 GHBDMN Cc1cc(NCc2ccncc2OCC(F)(F)F)c2cc([N+](=O)[O-])ccc2n1 ZINC000542166954 875069222 /nfs/dbraw/zinc/06/92/22/875069222.db2.gz RNNPIKJNRYXXAL-UHFFFAOYSA-N 0 1 392.337 3.822 20 5 GHBDMN COc1ccc([C@@H](CNC(=O)c2cc(C)ccc2[N+](=O)[O-])N2CCCCC2)cc1 ZINC000152318309 875334006 /nfs/dbraw/zinc/33/40/06/875334006.db2.gz OAJNGQZDKNCBTD-OAQYLSRUSA-N 0 1 397.475 3.869 20 5 GHBDMN O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CCN(C2CCCC2)CC1 ZINC000029997630 875797004 /nfs/dbraw/zinc/79/70/04/875797004.db2.gz WXTIIVDSNXEYCT-UHFFFAOYSA-N 0 1 388.346 3.586 20 5 GHBDMN Cc1ccc(CNC(=O)C2CCN([C@H](C)c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000475741379 882967063 /nfs/dbraw/zinc/96/70/63/882967063.db2.gz WKGXYZSHQHFHGT-QGZVFWFLSA-N 0 1 381.476 3.993 20 5 GHBDMN COC(=O)c1cncc(S(=O)(=O)Nc2ccc3cc4ccccc4cc3c2)c1 ZINC001201858112 875890139 /nfs/dbraw/zinc/89/01/39/875890139.db2.gz QFJLEAKEFIXJDZ-UHFFFAOYSA-N 0 1 392.436 3.975 20 5 GHBDMN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1CCC(OCC2CCCC2)CC1 ZINC000450130709 876001725 /nfs/dbraw/zinc/00/17/25/876001725.db2.gz LYVAMKRXEPAEET-UHFFFAOYSA-N 0 1 398.463 3.796 20 5 GHBDMN C[C@@H](OC(=O)CN(C)c1ccccc1[N+](=O)[O-])c1nc2ccc(Cl)cc2[nH]1 ZINC000772656037 876067608 /nfs/dbraw/zinc/06/76/08/876067608.db2.gz CXULYUPQVXPEBJ-LLVKDONJSA-N 0 1 388.811 3.865 20 5 GHBDMN O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@@H](O)c2cc(F)cc(Cl)c2)c1 ZINC000785614086 876147562 /nfs/dbraw/zinc/14/75/62/876147562.db2.gz IWTWLTCZJASWMG-CQSZACIVSA-N 0 1 390.745 3.812 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(C)CCc1ccc(Cl)cc1 ZINC000492373523 876733250 /nfs/dbraw/zinc/73/32/50/876733250.db2.gz IKOUIDGNAPCCGS-CYBMUJFWSA-N 0 1 391.855 3.758 20 5 GHBDMN CC[C@H](CS(=O)(=O)c1ccccc1)N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193045778 876778785 /nfs/dbraw/zinc/77/87/85/876778785.db2.gz MSOUXTJJIFIQCX-OXQOHEQNSA-N 0 1 388.489 3.814 20 5 GHBDMN COc1ccc(CN2CCCN(c3ccc([N+](=O)[O-])cc3C(C)=O)CC2)cc1 ZINC000786575501 876806456 /nfs/dbraw/zinc/80/64/56/876806456.db2.gz WGOZIIMSESZWSA-UHFFFAOYSA-N 0 1 383.448 3.518 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC000850461455 876942680 /nfs/dbraw/zinc/94/26/80/876942680.db2.gz HYMDUIRNFSXXEB-CQSZACIVSA-N 0 1 391.468 3.821 20 5 GHBDMN C[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000451013813 877233699 /nfs/dbraw/zinc/23/36/99/877233699.db2.gz KFFHNOXZPOKJOG-GWCFXTLKSA-N 0 1 382.342 3.788 20 5 GHBDMN C[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000451100354 877390618 /nfs/dbraw/zinc/39/06/18/877390618.db2.gz SIDDKIORSJGQCZ-NWDGAFQWSA-N 0 1 379.363 3.874 20 5 GHBDMN COc1cc(OC)c(NC(=O)CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000451101470 877392037 /nfs/dbraw/zinc/39/20/37/877392037.db2.gz CWPDFSLAMAIDRA-NSHDSACASA-N 0 1 393.827 3.555 20 5 GHBDMN CN(C)[C@@H](CNC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000610100278 877414613 /nfs/dbraw/zinc/41/46/13/877414613.db2.gz NLPNNBVINBDLHF-SFHVURJKSA-N 0 1 390.509 3.581 20 5 GHBDMN C[C@H](NCc1cccc(NC(=O)c2ccccn2)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788558335 878150262 /nfs/dbraw/zinc/15/02/62/878150262.db2.gz USPKYGZBCJTEJG-AWEZNQCLSA-N 0 1 391.431 3.675 20 5 GHBDMN CO[C@@H]1CCC[C@H]1N[C@@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000451627314 878239975 /nfs/dbraw/zinc/23/99/75/878239975.db2.gz CAJCZJDWHUALEY-MISYRCLQSA-N 0 1 383.448 3.740 20 5 GHBDMN Cc1cc(F)c(Br)cc1NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000788760494 878296532 /nfs/dbraw/zinc/29/65/32/878296532.db2.gz HOCJMVQJEZLOOT-UHFFFAOYSA-N 0 1 395.231 3.667 20 5 GHBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H](C)c1cccc(N2CCCC2)c1 ZINC000538279506 879175097 /nfs/dbraw/zinc/17/50/97/879175097.db2.gz IPHXXRPHZKRRDN-INIZCTEOSA-N 0 1 382.464 3.793 20 5 GHBDMN CN(C)[C@H]1CCOc2c(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])cccc21 ZINC000790243950 879542976 /nfs/dbraw/zinc/54/29/76/879542976.db2.gz UGXOJIPESSRMJQ-HNNXBMFYSA-N 0 1 375.812 3.886 20 5 GHBDMN Cc1ccc(Sc2ccc(CN3CC[C@@](C)(C(N)=O)C3)cc2[N+](=O)[O-])cc1 ZINC000475678011 879607839 /nfs/dbraw/zinc/60/78/39/879607839.db2.gz HCGQSONWIMMULD-HXUWFJFHSA-N 0 1 385.489 3.752 20 5 GHBDMN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000494048579 879853035 /nfs/dbraw/zinc/85/30/35/879853035.db2.gz LGTKWZSBOMRSGP-FTRWYGJKSA-N 0 1 399.516 3.855 20 5 GHBDMN COc1cc(CN2CC[C@@H](c3cccnc3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000565598109 883676811 /nfs/dbraw/zinc/67/68/11/883676811.db2.gz QQUYOOMHLBFFDQ-CQSZACIVSA-N 0 1 393.390 3.632 20 5 GHBDMN CC(C)(CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)N1CCc2ccccc2C1 ZINC000914528128 884039690 /nfs/dbraw/zinc/03/96/90/884039690.db2.gz WWBSGGRATLTSNW-UHFFFAOYSA-N 0 1 387.867 3.815 20 5 GHBDMN CC[C@H](CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000914735851 884652262 /nfs/dbraw/zinc/65/22/62/884652262.db2.gz XCGZIWJXOFKODN-QGZVFWFLSA-N 0 1 387.867 3.815 20 5 GHBDMN CCOc1cc(N2CCN(Cc3cccc4cnccc43)CC2)ccc1[N+](=O)[O-] ZINC000619432747 885029411 /nfs/dbraw/zinc/02/94/11/885029411.db2.gz HZOJULXKDXBLDE-UHFFFAOYSA-N 0 1 392.459 3.864 20 5 GHBDMN O=C1[C@H](N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCN1Cc1ccc(F)cc1 ZINC000193353772 885670618 /nfs/dbraw/zinc/67/06/18/885670618.db2.gz KMPGFPAVBGCCKB-WOJBJXKFSA-N 0 1 383.423 3.502 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1C[C@H](c2ccccc2)C[C@@H]1C ZINC000532574470 886146519 /nfs/dbraw/zinc/14/65/19/886146519.db2.gz JWAUQCSVUZDCFL-YQQAZPJKSA-N 0 1 383.448 3.808 20 5 GHBDMN COc1ccc(-c2csc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)n2)cc1F ZINC000476499248 886431440 /nfs/dbraw/zinc/43/14/40/886431440.db2.gz HZLHWPRQUOFNAO-UHFFFAOYSA-N 0 1 389.364 3.824 20 5 GHBDMN COc1ccc(C[C@H](C)CN[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000556883625 886443994 /nfs/dbraw/zinc/44/39/94/886443994.db2.gz FZGLJYUAKMQPEL-HRAATJIYSA-N 0 1 394.475 3.895 20 5 GHBDMN COc1cc(NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)c(C)cc1C ZINC000794614640 887679644 /nfs/dbraw/zinc/67/96/44/887679644.db2.gz UUKTXCFCPBHIOD-UHFFFAOYSA-N 0 1 384.841 3.983 20 5 GHBDMN O=C(CN[C@H](c1ccccc1)[C@@H](O)c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000794656301 887731684 /nfs/dbraw/zinc/73/16/84/887731684.db2.gz FPTRDLDDXQVOKP-YADHBBJMSA-N 0 1 391.427 3.598 20 5 GHBDMN CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)c([N+](=O)[O-])c2)NC(=S)N1 ZINC000916191355 888827502 /nfs/dbraw/zinc/82/75/02/888827502.db2.gz ZSKRWFNUUFSELS-KRWDZBQOSA-N 0 1 391.493 3.854 20 5 GHBDMN Cc1ccc(C[NH+](C)C)cc1[N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000154024047 889066382 /nfs/dbraw/zinc/06/63/82/889066382.db2.gz YEQMQMMVASOHHO-UHFFFAOYSA-N 0 1 397.884 3.727 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2noc(CN(CCc3ccc(F)cc3)C3CC3)n2)cc1 ZINC000532976073 889438550 /nfs/dbraw/zinc/43/85/50/889438550.db2.gz ZZHPDBFMNNEHTD-UHFFFAOYSA-N 0 1 382.395 3.991 20 5 GHBDMN Cc1cccc(C(=O)NCCNCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])c1 ZINC000811474721 889660784 /nfs/dbraw/zinc/66/07/84/889660784.db2.gz ADEMMCNOMZSSQH-UHFFFAOYSA-N 0 1 382.247 3.730 20 5 GHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCCSC[C@@H]1c1ccccc1 ZINC001133148832 890339997 /nfs/dbraw/zinc/33/99/97/890339997.db2.gz JAAHJAJRVYDNAM-QGZVFWFLSA-N 0 1 382.445 3.792 20 5 GHBDMN O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000812833093 891016275 /nfs/dbraw/zinc/01/62/75/891016275.db2.gz YIODCPLJQHNNEN-AWEZNQCLSA-N 0 1 394.258 3.906 20 5 GHBDMN C[C@@H](N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(C(F)(F)F)nc1 ZINC000871934654 891091197 /nfs/dbraw/zinc/09/11/97/891091197.db2.gz KODCEAYDDKESBW-MNOVXSKESA-N 0 1 382.342 3.686 20 5 GHBDMN C[C@@H]1CN(C(C)(C)CNc2ccc([N+](=O)[O-])cc2C(F)(F)F)C[C@@H](C)O1 ZINC000497970078 892836391 /nfs/dbraw/zinc/83/63/91/892836391.db2.gz YUOSAZVLDSEUPA-VXGBXAGGSA-N 0 1 375.391 3.913 20 5 GHBDMN CCc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)c1 ZINC000918146402 893227216 /nfs/dbraw/zinc/22/72/16/893227216.db2.gz SLYLAOOXWOPDMD-UHFFFAOYSA-N 0 1 385.239 3.721 20 5 GHBDMN C[C@@H](NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000814979481 893318622 /nfs/dbraw/zinc/31/86/22/893318622.db2.gz PSXOAXFTMZVNBS-SSDOTTSWSA-N 0 1 394.758 3.705 20 5 GHBDMN COc1cc(CNc2cccnc2OCc2ccccc2)cc([N+](=O)[O-])c1O ZINC000615134595 893591766 /nfs/dbraw/zinc/59/17/66/893591766.db2.gz LNKDUVNUZUSQFE-UHFFFAOYSA-N 0 1 381.388 3.895 20 5 GHBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H](c1ccccc1)C1(CO)CCCC1 ZINC000459518619 893689021 /nfs/dbraw/zinc/68/90/21/893689021.db2.gz CNEMUKJUCBOKLX-OAQYLSRUSA-N 0 1 397.475 3.725 20 5 GHBDMN CO[C@@H]1COC[C@@H]1NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000459753063 894147449 /nfs/dbraw/zinc/14/74/49/894147449.db2.gz JSKMQBPCQOFZPW-KBXCAEBGSA-N 0 1 378.812 3.544 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(CN2CC[C@@H](c3ccncc3)C2)o1 ZINC000878629674 894467418 /nfs/dbraw/zinc/46/74/18/894467418.db2.gz HZDVHEMBCCSUNA-CYBMUJFWSA-N 0 1 385.811 3.683 20 5 GHBDMN COc1ccccc1[C@@H](C)N(C)C(=O)CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000537178689 894501694 /nfs/dbraw/zinc/50/16/94/894501694.db2.gz WPYFMAXXVMGABN-HZPDHXFCSA-N 0 1 385.464 3.782 20 5 GHBDMN O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccc2oc(CN3CCCC3)nc2c1 ZINC000816766269 895059985 /nfs/dbraw/zinc/05/99/85/895059985.db2.gz QLLGKKSPYDKXBD-UHFFFAOYSA-N 0 1 380.404 3.513 20 5 GHBDMN O=C(Cc1ccccc1[N+](=O)[O-])NC[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000041400401 896258769 /nfs/dbraw/zinc/25/87/69/896258769.db2.gz GIVQIHSRYDUWQG-LJQANCHMSA-N 0 1 387.867 3.744 20 5 GHBDMN CC(C)C1CCC(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)CC2)CC1 ZINC001137176572 896746921 /nfs/dbraw/zinc/74/69/21/896746921.db2.gz YCCOBQOYWGWCPZ-UHFFFAOYSA-N 0 1 377.460 3.707 20 5 GHBDMN Cc1ccc(CNCc2ccc(N(C)C(=O)c3ccncc3)cc2)cc1[N+](=O)[O-] ZINC000130416754 897080812 /nfs/dbraw/zinc/08/08/12/897080812.db2.gz JTQQDPPEXDPTDC-UHFFFAOYSA-N 0 1 390.443 3.865 20 5 GHBDMN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(-c2ccc(OC)cc2)n[nH]1 ZINC000820001818 897108567 /nfs/dbraw/zinc/10/85/67/897108567.db2.gz DZVRBRFMBVHROU-UHFFFAOYSA-N 0 1 382.376 3.645 20 5 GHBDMN C[C@@H](N[C@@H]1CC2(CCOCC2)Oc2ccccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000883385045 897547092 /nfs/dbraw/zinc/54/70/92/897547092.db2.gz DFFPPBPJEMXLJK-RDTXWAMCSA-N 0 1 383.448 3.901 20 5 GHBDMN Cc1cc([N+](=O)[O-])c(F)c(C(=O)N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)c1F ZINC000823268328 898930262 /nfs/dbraw/zinc/93/02/62/898930262.db2.gz HZYFSWHADJWWRX-DZGCQCFKSA-N 0 1 389.402 3.747 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2ccc(CN3CC[C@@H](C(F)(F)F)[C@H](CO)C3)o2)cc1 ZINC000289771682 914338834 /nfs/dbraw/zinc/33/88/34/914338834.db2.gz RIAJGPCYESSCEM-XJKSGUPXSA-N 0 1 384.354 3.848 20 5 GHBDMN Cc1cc([N+](=O)[O-])cc(C(=O)Nc2nc3c(s2)CN(C(C)(C)C)CC3)c1F ZINC000824076588 899382037 /nfs/dbraw/zinc/38/20/37/899382037.db2.gz VVYYYOFMMLYQIZ-UHFFFAOYSA-N 0 1 392.456 3.908 20 5 GHBDMN CCc1[nH]nc(C(=O)N2CCC(F)(c3cccc(Cl)c3)CC2)c1[N+](=O)[O-] ZINC000332412212 899648550 /nfs/dbraw/zinc/64/85/50/899648550.db2.gz IOFSPCCQRSGPTL-UHFFFAOYSA-N 0 1 380.807 3.635 20 5 GHBDMN O=S(=O)(Nc1cc2cccnc2c2ncccc12)c1ccc2nsnc2c1 ZINC001186270739 914410389 /nfs/dbraw/zinc/41/03/89/914410389.db2.gz GCBKDXVAAIBRGW-UHFFFAOYSA-N 0 1 393.453 3.589 20 5 GHBDMN O=C([O-])Cc1ccc(NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c([N+](=O)[O-])c1 ZINC000576351130 901968263 /nfs/dbraw/zinc/96/82/63/901968263.db2.gz RKKIDWFOHQCNLI-HNNXBMFYSA-N 0 1 389.477 3.608 20 5 GHBDMN Cc1n[n-]c(=[NH+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)n1C1CC1 ZINC000577857650 903277782 /nfs/dbraw/zinc/27/77/82/903277782.db2.gz GXHNCTVLOJRPLN-UHFFFAOYSA-N 0 1 383.383 3.795 20 5 GHBDMN CCOc1ccc(NC(=O)CSc2nc(-c3ccccc3)n[nH]2)c([N+](=O)[O-])c1 ZINC000036799874 904523897 /nfs/dbraw/zinc/52/38/97/904523897.db2.gz GVDXHBRKQCOVGE-UHFFFAOYSA-N 0 1 399.432 3.509 20 5 GHBDMN COc1cc(SC)ccc1NS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000773274619 904658177 /nfs/dbraw/zinc/65/81/77/904658177.db2.gz ONZXIKUYVWTKRY-UHFFFAOYSA-N 0 1 386.426 3.574 20 5 GHBDMN C[C@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)c1cccc(N2CCCC2)c1 ZINC000176534908 905868302 /nfs/dbraw/zinc/86/83/02/905868302.db2.gz QRQBHAQNZHCXFO-HNNXBMFYSA-N 0 1 383.448 3.912 20 5 GHBDMN CCOC[C@@H]1CN([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)Cc2cnn(CC)c21 ZINC001172909027 905965448 /nfs/dbraw/zinc/96/54/48/905965448.db2.gz QPBUESMAMAPCHU-PMACEKPBSA-N 0 1 398.507 3.695 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CC[C@@H](Oc3ccc(F)cc3)C2)c1F ZINC001173187593 906267591 /nfs/dbraw/zinc/26/75/91/906267591.db2.gz ANZHTEHGDQOHRK-CZUORRHYSA-N 0 1 392.402 3.966 20 5 GHBDMN CCOC(=O)c1ccc(N2CCN([C@H](C)Cc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC001173231814 906318644 /nfs/dbraw/zinc/31/86/44/906318644.db2.gz NKECPMWFNLWLJT-QGZVFWFLSA-N 0 1 397.475 3.525 20 5 GHBDMN Cc1ccc(CN2CC[C@@H](NC(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC001174832234 907229674 /nfs/dbraw/zinc/22/96/74/907229674.db2.gz KTQQVMSEIMXLAD-FUHWJXTLSA-N 0 1 399.516 3.775 20 5 GHBDMN Cc1cc(C)c(S(=O)(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)cc1[N+](=O)[O-] ZINC000191907419 907311622 /nfs/dbraw/zinc/31/16/22/907311622.db2.gz NOCMLJWONNBNJI-UHFFFAOYSA-N 0 1 396.375 3.826 20 5 GHBDMN C[C@@H](N[C@@H]1CCc2c1cccc2F)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC001176244421 908003612 /nfs/dbraw/zinc/00/36/12/908003612.db2.gz XWUZZKOCVTYRRT-QLJPJBMISA-N 0 1 377.803 3.991 20 5 GHBDMN CC(C)(C)OC(=O)N1CCC2(CCN(Cc3ccc([N+](=O)[O-])cc3F)C2)CC1 ZINC000773626065 908461762 /nfs/dbraw/zinc/46/17/62/908461762.db2.gz TXOCKOURRFPIAQ-UHFFFAOYSA-N 0 1 393.459 3.957 20 5 GHBDMN Cc1cc(C(=O)N2CCC(c3nnc(-c4ccccc4)[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000299596404 921496076 /nfs/dbraw/zinc/49/60/76/921496076.db2.gz DSWGZWLKJHBZLJ-UHFFFAOYSA-N 0 1 391.431 3.708 20 5 GHBDMN CCN(CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O)[C@H](C)C(C)C ZINC000795411833 910256946 /nfs/dbraw/zinc/25/69/46/910256946.db2.gz COSXEWPCECXHCR-LLVKDONJSA-N 0 1 384.274 3.637 20 5 GHBDMN C[C@H](NCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1OCCc2sccc21 ZINC000795482851 910621218 /nfs/dbraw/zinc/62/12/18/910621218.db2.gz SNIOBATZCWZSJI-BTDLBPIBSA-N 0 1 395.868 3.540 20 5 GHBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1cccc2c1CCCCC2 ZINC001182600159 911914847 /nfs/dbraw/zinc/91/48/47/911914847.db2.gz KVGKNUQMDHILKJ-UHFFFAOYSA-N 0 1 377.404 3.901 20 5 GHBDMN O=C([O-])[C@]12C[N@@H+](Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C[C@H]1CCCC2 ZINC000901914283 921730104 /nfs/dbraw/zinc/73/01/04/921730104.db2.gz MIWUSRRMDZGNBV-AUUYWEPGSA-N 0 1 387.461 3.795 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C2CC2)c1 ZINC001186921968 914903567 /nfs/dbraw/zinc/90/35/67/914903567.db2.gz RDCREGYIRKIUNW-HNNXBMFYSA-N 0 1 398.843 3.687 20 5 GHBDMN Cc1cnc(C2CCN(C(=O)c3cc(-c4ccc([N+](=O)[O-])cc4)[nH]n3)CC2)s1 ZINC000295132305 917161538 /nfs/dbraw/zinc/16/15/38/917161538.db2.gz LDSJSBKZMSQBSK-UHFFFAOYSA-N 0 1 397.460 3.770 20 5 GHBDMN O=C1[C@H](N2CCC[C@@H](Cc3ccccc3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC001190855108 917604581 /nfs/dbraw/zinc/60/45/81/917604581.db2.gz NUMUDQCKXAMXTR-GHTZIAJQSA-N 0 1 379.460 3.655 20 5 GHBDMN Cc1ccc(C(C)(C)CN(C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1 ZINC001191246386 917877111 /nfs/dbraw/zinc/87/71/11/917877111.db2.gz VRWPQTURVCJVSP-UHFFFAOYSA-N 0 1 381.476 3.702 20 5 GHBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC(Cc3ccccc3F)CC2)c1 ZINC001191520652 918041675 /nfs/dbraw/zinc/04/16/75/918041675.db2.gz JHWQIAMMPXSQIA-UHFFFAOYSA-N 0 1 386.423 3.975 20 5 GHBDMN O=[N+]([O-])c1ccccc1-c1nnc(CN2CCCC[C@@H]2[C@H](O)c2ccccc2)o1 ZINC001192116021 918421075 /nfs/dbraw/zinc/42/10/75/918421075.db2.gz KSOHRRIBRZCMID-UYAOXDASSA-N 0 1 394.431 3.733 20 5 GHBDMN O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1N1CCC[C@@H](c2nc[nH]n2)C1 ZINC000363603626 918507766 /nfs/dbraw/zinc/50/77/66/918507766.db2.gz NIYRXJHSKSWQGQ-MRVPVSSYSA-N 0 1 375.738 3.769 20 5 GHBDMN COc1ccc(-c2ccc(CNCC[S@@](=O)C(C)(C)C)o2)c([N+](=O)[O-])c1 ZINC000116920736 919524300 /nfs/dbraw/zinc/52/43/00/919524300.db2.gz YPFYIWOXGJSICE-SANMLTNESA-N 0 1 380.466 3.500 20 5 GHBDMN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCSC[C@@H]1c1ccccc1 ZINC000117342138 919540191 /nfs/dbraw/zinc/54/01/91/919540191.db2.gz OKRICNFHGFJDEM-GOSISDBHSA-N 0 1 399.472 3.683 20 5 GHBDMN Cn1cnc([N+](=O)[O-])c1CN[C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC000367461516 922119039 /nfs/dbraw/zinc/11/90/39/922119039.db2.gz AIPNHFKUVYZYEN-MRXNPFEDSA-N 0 1 398.385 3.605 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)[C@H](C)c1cc(F)ccc1F ZINC000411172152 926159968 /nfs/dbraw/zinc/15/99/68/926159968.db2.gz KQTKDLXQSVDOLE-GFCCVEGCSA-N 0 1 393.390 3.903 20 5 GHBDMN CC[C@@H](C)N(Cc1ccccc1)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000726586164 926744681 /nfs/dbraw/zinc/74/46/81/926744681.db2.gz HOIMDRCORGBKCZ-MRXNPFEDSA-N 0 1 396.447 3.622 20 5 GHBDMN Cc1cc(Cl)c(S(=O)(=O)Nc2ccc3ccn(C)c3c2)cc1[N+](=O)[O-] ZINC000753066796 929187776 /nfs/dbraw/zinc/18/77/76/929187776.db2.gz VHQJHEBZMCUWAG-UHFFFAOYSA-N 0 1 379.825 3.849 20 5 GHBDMN C[C@@H]1C[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CN1Cc1ccccc1 ZINC000467697997 929313266 /nfs/dbraw/zinc/31/32/66/929313266.db2.gz ODQWLRKRHNWJOB-PBHICJAKSA-N 0 1 379.416 3.734 20 5 GHBDMN O=C(Nc1cccc(-c2cn[nH]n2)c1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000753725057 929501047 /nfs/dbraw/zinc/50/10/47/929501047.db2.gz KQUVWROWUBDSQX-UHFFFAOYSA-N 0 1 392.419 3.623 20 5 GHBDMN Cc1ccc(C(=O)NC[C@H](c2cccc(C(F)(F)F)c2)N(C)C)cc1[N+](=O)[O-] ZINC000469509382 929953333 /nfs/dbraw/zinc/95/33/33/929953333.db2.gz XOBIILMRABCDBJ-QGZVFWFLSA-N 0 1 395.381 3.955 20 5 GHBDMN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1O 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TYHVELHPNCMXRD-UHFFFAOYSA-N 0 1 382.307 3.956 20 5 GHBDMN CCO[C@@H]1C[C@H](NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@H]1n1cccn1 ZINC000559362818 932627761 /nfs/dbraw/zinc/62/77/61/932627761.db2.gz FNNILQUCMVIPMW-DFQSSKMNSA-N 0 1 382.420 3.560 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2ccc(CN3CCC[C@@H]([C@H](O)C(F)(F)F)C3)o2)cc1 ZINC000559959516 932981309 /nfs/dbraw/zinc/98/13/09/932981309.db2.gz WPNQKJMTZXXOKJ-DYVFJYSZSA-N 0 1 384.354 3.990 20 5 GHBDMN C[C@@H](N[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1)[C@H](C)CO ZINC000828833508 935723293 /nfs/dbraw/zinc/72/32/93/935723293.db2.gz HDHCOOVPCGINIH-SNUQEOBHSA-N 0 1 391.855 3.535 20 5 GHBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000468626490 1015857018 /nfs/dbraw/zinc/85/70/18/1015857018.db2.gz FIAMAPSNLSGVFX-SDNWHVSQSA-N 0 1 394.880 3.715 20 5 GHBDMN Cc1cc(C2CCN(C(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)CC2)n[nH]1 ZINC000545450795 1015884634 /nfs/dbraw/zinc/88/46/34/1015884634.db2.gz SNVVNYRZIYLYQT-UHFFFAOYSA-N 0 1 397.460 3.770 20 5 GHBDMN C[C@@H](c1ccccn1)[N@H+]1CCC[C@@H](Oc2ncnc3cc(F)c([N+](=O)[O-])cc32)C1 ZINC001226808905 1032138349 /nfs/dbraw/zinc/13/83/49/1032138349.db2.gz ZFVLTOJGJWCDES-UONOGXRCSA-N 0 1 397.410 3.677 20 5 GHBDMN C[C@@H](c1ccccn1)N1CCC[C@@H](Oc2ncnc3cc(F)c([N+](=O)[O-])cc32)C1 ZINC001226808905 1032138357 /nfs/dbraw/zinc/13/83/57/1032138357.db2.gz ZFVLTOJGJWCDES-UONOGXRCSA-N 0 1 397.410 3.677 20 5 GHBDMN CN1CC[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)[C@H]1c1ccccc1 ZINC000545845338 1016508662 /nfs/dbraw/zinc/50/86/62/1016508662.db2.gz RKSARIZKAAIOBY-RTBURBONSA-N 0 1 385.439 3.573 20 5 GHBDMN COc1cc(S(=O)(=O)Nc2ccc(C)c(C(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000469146163 1016556946 /nfs/dbraw/zinc/55/69/46/1016556946.db2.gz ZWSMEJBRCPBUND-UHFFFAOYSA-N 0 1 390.339 3.731 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2cc(-c3nc(-c4ccc(-n5cccn5)cc4)no3)[nH]n2)c1 ZINC001212995230 1032278000 /nfs/dbraw/zinc/27/80/00/1032278000.db2.gz PPCQFNZETQFVCI-UHFFFAOYSA-N 0 1 399.370 3.888 20 5 GHBDMN O=C(c1ccco1)C(Oc1ccc(Br)nc1[N+](=O)[O-])c1ccco1 ZINC001227256484 1032344604 /nfs/dbraw/zinc/34/46/04/1032344604.db2.gz IVUUNUKSHAEZES-AWEZNQCLSA-N 0 1 393.149 3.941 20 5 GHBDMN O=C(c1ccco1)[C@@H](Oc1ccc(Br)nc1[N+](=O)[O-])c1ccco1 ZINC001227256484 1032344620 /nfs/dbraw/zinc/34/46/20/1032344620.db2.gz IVUUNUKSHAEZES-AWEZNQCLSA-N 0 1 393.149 3.941 20 5 GHBDMN O=[N+]([O-])c1nc(Br)ccc1O[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001227256338 1032345222 /nfs/dbraw/zinc/34/52/22/1032345222.db2.gz GCUNSJCSLBJOLV-CQSZACIVSA-N 0 1 392.253 3.796 20 5 GHBDMN CC1(C)COC(=O)[C@@H]1Oc1ccc2c(c1)oc1c2c(=O)oc2cc(O)ccc12 ZINC001227516261 1032448675 /nfs/dbraw/zinc/44/86/75/1032448675.db2.gz AQOZJEDFNGBRAD-SFHVURJKSA-N 0 1 380.352 3.728 20 5 GHBDMN CSc1nc(O[C@@H](C)c2c(Cl)cncc2Cl)c([N+](=O)[O-])c(=O)[nH]1 ZINC001227629322 1032492474 /nfs/dbraw/zinc/49/24/74/1032492474.db2.gz VDLDHJDWOVUKHH-YFKPBYRVSA-N 0 1 377.209 3.654 20 5 GHBDMN O=C(Nc1ccc2nc(-c3ccccc3Cl)[nH]c2c1)c1c[nH]nc1[N+](=O)[O-] ZINC000558734827 1017274046 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COc1ccc(-c2cc(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])ccc2OC(F)F)cc1 ZINC000839481124 1025972472 /nfs/dbraw/zinc/97/24/72/1025972472.db2.gz XFSCWTAUTIIDQV-HUUCEWRRSA-N 0 1 378.331 3.567 20 5 GHBDMN CC(C)(CO)[C@H](NCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])c1cccs1 ZINC000839603200 1026102838 /nfs/dbraw/zinc/10/28/38/1026102838.db2.gz AGWCWGDTQCKNIS-MRXNPFEDSA-N 0 1 397.884 3.598 20 5 GHBDMN COc1cnc(N2CC(c3ncn4cc(-c5ccoc5)ccc34)C2)c([N+](=O)[O-])c1 ZINC001166494856 1027014452 /nfs/dbraw/zinc/01/44/52/1027014452.db2.gz BNZFVTBUQJRWPW-UHFFFAOYSA-N 0 1 391.387 3.510 20 5 GHBDMN COC(=O)c1cc(Br)c(Nc2ccc(O)c([N+](=O)[O-])c2)cc1C ZINC001210398545 1027490454 /nfs/dbraw/zinc/49/04/54/1027490454.db2.gz HXGCMXLOQPZJLN-UHFFFAOYSA-N 0 1 381.182 3.902 20 5 GHBDMN COC(=O)Cc1ccc(Nc2ccc(O)c([N+](=O)[O-])c2)c(Br)c1 ZINC001210399487 1027490491 /nfs/dbraw/zinc/49/04/91/1027490491.db2.gz UJWGGDHMVMZONG-UHFFFAOYSA-N 0 1 381.182 3.522 20 5 GHBDMN O=[N+]([O-])c1ccc(OC(F)F)c(CN[C@@H]2COc3c(F)cc(F)cc3C2)c1 ZINC001204021291 1027812634 /nfs/dbraw/zinc/81/26/34/1027812634.db2.gz VZRGKMHYMMHCCD-LBPRGKRZSA-N 0 1 386.301 3.568 20 5 GHBDMN O=[N+]([O-])c1ccccc1CCNCc1c(Br)cccc1[N+](=O)[O-] ZINC001461461017 1069560758 /nfs/dbraw/zinc/56/07/58/1069560758.db2.gz KOGNYMXDWVHXOI-UHFFFAOYSA-N 0 1 380.198 3.598 20 5 GHBDMN C[C@@H](N[C@@H](CCO)c1cccc(OC(F)(F)F)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000842900930 1029671559 /nfs/dbraw/zinc/67/15/59/1029671559.db2.gz DGTBVTZZXFNBJO-BZNIZROVSA-N 0 1 399.369 3.850 20 5 GHBDMN CC(C)[C@H](N)c1noc(-c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)n1 ZINC000843152805 1029833320 /nfs/dbraw/zinc/83/33/20/1029833320.db2.gz GYKBIYJDBRDNIW-LBPRGKRZSA-N 0 1 397.222 3.793 20 5 GHBDMN COC(=O)c1ccc(CO[C@H]2CCCN([C@H](C)c3ccccn3)C2)c([N+](=O)[O-])c1 ZINC001223414968 1030566627 /nfs/dbraw/zinc/56/66/27/1030566627.db2.gz UFFPGHLJIOXDPA-QAPCUYQASA-N 0 1 399.447 3.519 20 5 GHBDMN C[C@@H](c1ccccn1)N1CCC[C@@H](OCc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC001223488519 1030600239 /nfs/dbraw/zinc/60/02/39/1030600239.db2.gz AOTQFCFBEUMENC-KBXCAEBGSA-N 0 1 386.408 3.640 20 5 GHBDMN O=[N+]([O-])c1ccc(O)cc1O[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC001225490304 1031437028 /nfs/dbraw/zinc/43/70/28/1031437028.db2.gz GVTCMQWSISBMCB-CQSZACIVSA-N 0 1 379.210 3.721 20 5 GHBDMN COC(=O)CCCCCNC(=O)[C@@H](N)Cc1c2ccccc2cc2ccccc21 ZINC001220048684 1031756713 /nfs/dbraw/zinc/75/67/13/1031756713.db2.gz UVDSSCLRIBPJKE-QFIPXVFZSA-N 0 1 392.499 3.712 20 5 GHBDMN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC(c3ncc(C(F)(F)F)[nH]3)CC2)c1C ZINC001156874383 1033297336 /nfs/dbraw/zinc/29/73/36/1033297336.db2.gz JHTPXQCXYXDJAZ-UHFFFAOYSA-N 0 1 396.369 3.973 20 5 GHBDMN CN1CCC[C@@H](Oc2ccc3c(c2)occ(-c2ccc([N+](=O)[O-])cc2)c3=O)C1 ZINC001229267922 1033379916 /nfs/dbraw/zinc/37/99/16/1033379916.db2.gz WOSNBPLCFIDIQL-QGZVFWFLSA-N 0 1 380.400 3.841 20 5 GHBDMN C[C@@H]1CCN(Cc2ccccc2)C[C@H]1Oc1n[nH]c(=O)c2cccc([N+](=O)[O-])c21 ZINC001229374855 1033444943 /nfs/dbraw/zinc/44/49/43/1033444943.db2.gz SZTCGJWMKQPDAA-RDTXWAMCSA-N 0 1 394.431 3.533 20 5 GHBDMN COC(=O)c1ccc(C)c([N+](=O)[O-])c1OC(C(=O)c1ccco1)c1ccco1 ZINC001229899704 1033782927 /nfs/dbraw/zinc/78/29/27/1033782927.db2.gz NZXVNFQKKISXFG-GOSISDBHSA-N 0 1 385.328 3.879 20 5 GHBDMN COC(=O)c1ccc(C)c([N+](=O)[O-])c1O[C@@H](C(=O)c1ccco1)c1ccco1 ZINC001229899704 1033782932 /nfs/dbraw/zinc/78/29/32/1033782932.db2.gz NZXVNFQKKISXFG-GOSISDBHSA-N 0 1 385.328 3.879 20 5 GHBDMN Cc1cc(O)c([N+](=O)[O-])c(O[C@H](C(=O)OCc2ccccc2)c2ccccc2)n1 ZINC001231261029 1034489596 /nfs/dbraw/zinc/48/95/96/1034489596.db2.gz XOAQHARGLCWGLK-IBGZPJMESA-N 0 1 394.383 3.867 20 5 GHBDMN Cc1cc(O)c([N+](=O)[O-])c(O[C@H]2CC[C@H](N(C)C(=O)OC(C)(C)C)CC2)n1 ZINC001231259812 1034489714 /nfs/dbraw/zinc/48/97/14/1034489714.db2.gz PVXTXNFQECNKMF-JOCQHMNTSA-N 0 1 381.429 3.561 20 5 GHBDMN CCc1ccc([C@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C(C)C)cc1 ZINC001208046433 1034716651 /nfs/dbraw/zinc/71/66/51/1034716651.db2.gz JNVRRCJPBODJJW-QGZVFWFLSA-N 0 1 380.441 3.972 20 5 GHBDMN O=[N+]([O-])c1cccc2ncnc(N[C@H]3CCN(Cc4cccc(Cl)c4)C3)c21 ZINC001161180921 1035169248 /nfs/dbraw/zinc/16/92/48/1035169248.db2.gz LFXDFXAIZVOBKR-HNNXBMFYSA-N 0 1 383.839 3.878 20 5 GHBDMN Cc1cc(Cl)c(C(=O)N(C)[C@@H](c2nnc[nH]2)c2ccccc2)cc1[N+](=O)[O-] ZINC001161211421 1035180934 /nfs/dbraw/zinc/18/09/34/1035180934.db2.gz RZQHSXUGUACKQG-MRXNPFEDSA-N 0 1 385.811 3.536 20 5 GHBDMN CC(C)(C)c1nc(CNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)n[nH]1 ZINC001161344528 1035212066 /nfs/dbraw/zinc/21/20/66/1035212066.db2.gz VZPHMCKDGZZRRU-UHFFFAOYSA-N 0 1 395.419 3.733 20 5 GHBDMN O=C(Nc1nnc([C@H]2CCCO2)s1)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC001462326764 1070174120 /nfs/dbraw/zinc/17/41/20/1070174120.db2.gz RJRUVYPKJYCRIC-SECBINFHSA-N 0 1 388.327 3.569 20 5 GHBDMN Cc1ccc([C@H](O)[C@H](C)NCc2cc(Br)c([N+](=O)[O-])s2)cc1 ZINC001462384948 1070217596 /nfs/dbraw/zinc/21/75/96/1070217596.db2.gz XQAPMLHYMVQGTL-IINYFYTJSA-N 0 1 385.283 3.939 20 5 GHBDMN COc1cccc(-c2nc(CN[C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)cs2)c1 ZINC001254596722 1040368896 /nfs/dbraw/zinc/36/88/96/1040368896.db2.gz FPNHMQZWQMJDFD-MRXNPFEDSA-N 0 1 381.457 3.984 20 5 GHBDMN Cc1cc([O-])c([N+](=O)[O-])cc1-c1nnc([C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001255496611 1041092155 /nfs/dbraw/zinc/09/21/55/1041092155.db2.gz UTMLXRISKPEMRC-HNNXBMFYSA-N 0 1 380.404 3.648 20 5 GHBDMN Cc1ccc2nc([C@@H]3CCCN3C(=O)c3cc(Cl)c(N)c([N+](=O)[O-])c3)[nH]c2c1 ZINC001293031889 1043993704 /nfs/dbraw/zinc/99/37/04/1043993704.db2.gz JKRRRRPGLYSSDD-HNNXBMFYSA-N 0 1 399.838 3.992 20 5 GHBDMN CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@](CO)(C(C)C)C2)cc1OC ZINC001261200211 1045917368 /nfs/dbraw/zinc/91/73/68/1045917368.db2.gz PXVVBCNPNBIZRT-IERDGZPVSA-N 0 1 394.512 3.869 20 5 GHBDMN COc1ccc(NC(=O)NC[C@@H](c2ccc(Cl)cc2)N(C)C)c([N+](=O)[O-])c1 ZINC001263627168 1047003830 /nfs/dbraw/zinc/00/38/30/1047003830.db2.gz ALAQUVUZEIRWRY-KRWDZBQOSA-N 0 1 392.843 3.681 20 5 GHBDMN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1CCC[C@@H](OC2CCC2)CC1 ZINC001302617785 1047007325 /nfs/dbraw/zinc/00/73/25/1047007325.db2.gz JIRMZCBFDBUIHW-QGZVFWFLSA-N 0 1 384.436 3.549 20 5 GHBDMN Cc1ccc(CSc2n[nH]c(NC(=O)c3cc(F)ccc3[N+](=O)[O-])n2)cc1 ZINC001305447516 1048060094 /nfs/dbraw/zinc/06/00/94/1048060094.db2.gz XGAJKGMWDSARKJ-UHFFFAOYSA-N 0 1 387.396 3.705 20 5 GHBDMN O=C(Nc1n[nH]c2nc(C(F)(F)F)ccc12)c1c(Cl)cccc1[N+](=O)[O-] ZINC001305700343 1048222232 /nfs/dbraw/zinc/22/22/32/1048222232.db2.gz HSMHUCKFAMIXHD-UHFFFAOYSA-N 0 1 385.689 3.791 20 5 GHBDMN CC(C)[C@@]1(C(=O)[O-])CC[N@@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000901467429 1049065436 /nfs/dbraw/zinc/06/54/36/1049065436.db2.gz INDJEUQWDYHXMF-HXUWFJFHSA-N 0 1 375.469 3.518 20 5 GHBDMN CC(C)c1nc(CC2CCN(c3ccc([N+](=O)[O-])c4cccnc43)CC2)n[nH]1 ZINC001307192216 1049129172 /nfs/dbraw/zinc/12/91/72/1049129172.db2.gz ROVYEJGMVRFGAJ-UHFFFAOYSA-N 0 1 380.452 3.844 20 5 GHBDMN CC(C)c1nnc(CC2CCN(c3ccc([N+](=O)[O-])c4cccnc43)CC2)[nH]1 ZINC001307192216 1049129184 /nfs/dbraw/zinc/12/91/84/1049129184.db2.gz ROVYEJGMVRFGAJ-UHFFFAOYSA-N 0 1 380.452 3.844 20 5 GHBDMN CCO[C@H]1C[C@@H](NCc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C12CCC2 ZINC001307777829 1049585134 /nfs/dbraw/zinc/58/51/34/1049585134.db2.gz DVWRQNJZMMUSJK-CABCVRRESA-N 0 1 392.843 3.736 20 5 GHBDMN Cc1ccc(CN[C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)cc1[N+](=O)[O-] ZINC001308297256 1049941581 /nfs/dbraw/zinc/94/15/81/1049941581.db2.gz QVFPZJCAYCKPNP-HNNXBMFYSA-N 0 1 393.365 3.817 20 5 GHBDMN CN(CCNCc1c(Br)cccc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC001308300617 1049942476 /nfs/dbraw/zinc/94/24/76/1049942476.db2.gz QUHKXFFMHJEITB-UHFFFAOYSA-N 0 1 396.260 3.718 20 5 GHBDMN O=[N+]([O-])c1cc(CN2CCC[C@H](c3nc4ccccc4[nH]3)C2)c2c(c1)COCO2 ZINC001335030011 1052026302 /nfs/dbraw/zinc/02/63/02/1052026302.db2.gz CRCJUDKHNXFCPS-AWEZNQCLSA-N 0 1 394.431 3.717 20 5 GHBDMN C[C@@H](NC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC001312335671 1052701395 /nfs/dbraw/zinc/70/13/95/1052701395.db2.gz DWTYKDOAQQXLHT-CVEARBPZSA-N 0 1 397.479 3.576 20 5 GHBDMN CCOc1ccc(C(=O)Nc2nc(-c3cccc(Cl)c3)n[nH]2)cc1[N+](=O)[O-] ZINC001318289440 1054549083 /nfs/dbraw/zinc/54/90/83/1054549083.db2.gz RIBAIRHGZUGHPQ-UHFFFAOYSA-N 0 1 387.783 3.684 20 5 GHBDMN CC(C)c1n[nH]c(NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)n1 ZINC001318297658 1054553606 /nfs/dbraw/zinc/55/36/06/1054553606.db2.gz KIKGQKRBQSTSMG-GFCCVEGCSA-N 0 1 395.423 3.657 20 5 GHBDMN CC(C)c1nc(NC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)n[nH]1 ZINC001318297658 1054553622 /nfs/dbraw/zinc/55/36/22/1054553622.db2.gz KIKGQKRBQSTSMG-GFCCVEGCSA-N 0 1 395.423 3.657 20 5 GHBDMN COc1ccc(C[C@@H](C)N(C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1 ZINC001320975536 1056039681 /nfs/dbraw/zinc/03/96/81/1056039681.db2.gz LRKWPEHQSXUAFL-CQSZACIVSA-N 0 1 382.420 3.716 20 5 GHBDMN O=[N+]([O-])c1ccccc1-c1cnn(CN2CCC3(CC2)OCc2ccccc23)c1 ZINC000848481702 1057118882 /nfs/dbraw/zinc/11/88/82/1057118882.db2.gz FJRZQBSXFIRLAW-UHFFFAOYSA-N 0 1 390.443 3.937 20 5 GHBDMN C[C@@H](OC(=O)c1ccc(O)c(Cl)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000848949639 1057450720 /nfs/dbraw/zinc/45/07/20/1057450720.db2.gz AEDIFEOCHYNSCW-MRVPVSSYSA-N 0 1 399.186 3.791 20 5 GHBDMN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N(Cc1ccc(F)cc1)C1CC1 ZINC001440650404 1058559454 /nfs/dbraw/zinc/55/94/54/1058559454.db2.gz DYDLXDCQZHVFBB-UHFFFAOYSA-N 0 1 380.379 3.929 20 5 GHBDMN COc1ccc2nc([C@H](C)NC(=O)c3cc([N+](=O)[O-])ccc3SC)[nH]c2c1 ZINC001448114356 1060109773 /nfs/dbraw/zinc/10/97/73/1060109773.db2.gz HIZMJZCNOQPARD-JTQLQIEISA-N 0 1 386.433 3.693 20 5 GHBDMN C[C@@H](NC(=O)Cc1ccc(F)cc1[N+](=O)[O-])c1nc2ccc(Cl)cc2[nH]1 ZINC001454221398 1061656846 /nfs/dbraw/zinc/65/68/46/1061656846.db2.gz POKWLXJMWVRTID-SECBINFHSA-N 0 1 376.775 3.684 20 5 GHBDMN CC[C@H](c1ccccc1)N1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC001435308444 1062492603 /nfs/dbraw/zinc/49/26/03/1062492603.db2.gz NWAJXKWBGKNLNL-HXUWFJFHSA-N 0 1 396.491 3.692 20 5 GHBDMN C[C@@H](CNc1ncc([N+](=O)[O-])cc1C(F)(F)F)N1CCc2ccccc2C1 ZINC001458145722 1063600682 /nfs/dbraw/zinc/60/06/82/1063600682.db2.gz ULRCGQHKQQKTPX-LBPRGKRZSA-N 0 1 380.370 3.867 20 5 GHBDMN COc1cc(NCC2(CN3CCOCC3)CCCCC2)c(Cl)cc1[N+](=O)[O-] ZINC001458239831 1063686320 /nfs/dbraw/zinc/68/63/20/1063686320.db2.gz LMPMLHVMFLEGRW-UHFFFAOYSA-N 0 1 397.903 3.951 20 5 GHBDMN O=[N+]([O-])c1ccc(N2CC3(CN(Cc4ccccc4)C3)C2)c(Br)c1 ZINC001458537965 1063874437 /nfs/dbraw/zinc/87/44/37/1063874437.db2.gz XYGVUKXUIRSVDF-UHFFFAOYSA-N 0 1 388.265 3.680 20 5 GHBDMN Cc1ccc(C=Cc2n[nH]c(SCC(=O)c3ccc([N+](=O)[O-])cc3F)n2)o1 ZINC001458902885 1063958479 /nfs/dbraw/zinc/95/84/79/1063958479.db2.gz IEBRKFGCEZFZIX-FNORWQNLSA-N 0 1 388.380 3.899 20 5 GHBDMN CN(CCOc1ccccc1C(C)(C)C)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC001459663221 1064158265 /nfs/dbraw/zinc/15/82/65/1064158265.db2.gz KQXRQYZHLWOLEQ-UHFFFAOYSA-N 0 1 396.447 3.920 20 5 GHBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCc1ccc(-c2ccco2)cc1F ZINC001463647285 1064525344 /nfs/dbraw/zinc/52/53/44/1064525344.db2.gz CXQQDMOBTKIYFM-UHFFFAOYSA-N 0 1 394.355 3.612 20 5 GHBDMN Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)NCCCCc1ccnc(N)c1 ZINC001466687208 1066256734 /nfs/dbraw/zinc/25/67/34/1066256734.db2.gz JNBBXPYKMYEOBC-UHFFFAOYSA-N 0 1 377.832 3.678 20 5 GHBDMN CCC[C@@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC001357607779 1067191030 /nfs/dbraw/zinc/19/10/30/1067191030.db2.gz IIAVXXVOBAMVDZ-HXUWFJFHSA-N 0 1 381.476 3.650 20 5 GHBDMN CN1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C2(CCCCC2)C1 ZINC001360896842 1068679928 /nfs/dbraw/zinc/67/99/28/1068679928.db2.gz RVMWDPZXPAVPRP-UHFFFAOYSA-N 0 1 397.928 3.817 20 5 GHBDMN Cc1c(CN[C@@]2(c3ccc(Br)cc3)C[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC001460740749 1069146996 /nfs/dbraw/zinc/14/69/96/1069146996.db2.gz WILAVJUWOFSDEB-MAEOIBBWSA-N 0 1 391.265 3.806 20 5 GHBDMN Cc1cc(N2CC[C@]3(C2)CN(Cc2ccccc2)C[C@H](C)O3)ccc1[N+](=O)[O-] ZINC001472862318 1073700868 /nfs/dbraw/zinc/70/08/68/1073700868.db2.gz LNAHBAOWEAERRG-PGRDOPGGSA-N 0 1 381.476 3.773 20 5 GHBDMN C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)[N@H+](Cc2cc([O-])ccc2[N+](=O)[O-])[C@@H]1C ZINC001473594892 1074038308 /nfs/dbraw/zinc/03/83/08/1074038308.db2.gz JZZZUXWVRUONKY-IIAWOOMASA-N 0 1 393.484 3.814 20 5 GHBDMN C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])[C@@H]1C ZINC001473594892 1074038319 /nfs/dbraw/zinc/03/83/19/1074038319.db2.gz JZZZUXWVRUONKY-IIAWOOMASA-N 0 1 393.484 3.814 20 5 GHBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCC([C@H](C)CO)CC2)cc1OC ZINC001473619959 1074052463 /nfs/dbraw/zinc/05/24/63/1074052463.db2.gz STAVKLLEHMEPFD-JKSUJKDBSA-N 0 1 394.512 3.869 20 5 GHBDMN C[C@@H]1CC[N@@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C[C@H]1C(=O)[O-] ZINC000581369462 837517854 /nfs/dbraw/zinc/51/78/54/837517854.db2.gz BLIKPSBBQCGVLD-CRAIPNDOSA-N 0 1 383.448 3.905 20 5 GHBDMN CCC[C@@H](N[C@@H]1CCN(Cc2ccc(OC)cc2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000180911992 837680433 /nfs/dbraw/zinc/68/04/33/837680433.db2.gz BLJNBHXYAUKURB-NHCUHLMSSA-N 0 1 397.475 3.835 20 5 GHBDMN CC[C@H](NCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000024252859 834685564 /nfs/dbraw/zinc/68/55/64/834685564.db2.gz ZNZRAPDUSPFUAC-HNNXBMFYSA-N 0 1 377.828 3.936 20 5 GHBDMN Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000274661609 834690739 /nfs/dbraw/zinc/69/07/39/834690739.db2.gz VTCBCBKNCFHOBA-UHFFFAOYSA-N 0 1 383.404 3.534 20 5 GHBDMN Cc1cc(N2CC[NH+](Cc3ccccc3Cl)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000583633494 834779241 /nfs/dbraw/zinc/77/92/41/834779241.db2.gz HRBRGEKMFUGMNV-UHFFFAOYSA-N 0 1 389.839 3.577 20 5 GHBDMN CC(C)Oc1cc(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000412214668 837816518 /nfs/dbraw/zinc/81/65/18/837816518.db2.gz GODKOLQAZSXTHL-XLIONFOSSA-N 0 1 383.448 3.557 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000430205922 835082281 /nfs/dbraw/zinc/08/22/81/835082281.db2.gz NOOKYLGSAQGAJM-QGZVFWFLSA-N 0 1 393.447 3.768 20 5 GHBDMN CC(=O)N1CC[C@H](Nc2cc(C)nc3ccc([N+](=O)[O-])cc32)c2ccccc21 ZINC000542120418 835104978 /nfs/dbraw/zinc/10/49/78/835104978.db2.gz SVQGJHGHEIRLPZ-IBGZPJMESA-N 0 1 376.416 3.783 20 5 GHBDMN CC[C@@H](NCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000024252856 835442846 /nfs/dbraw/zinc/44/28/46/835442846.db2.gz ZNZRAPDUSPFUAC-OAHLLOKOSA-N 0 1 377.828 3.936 20 5 GHBDMN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)Nc1ccc(OC(F)F)cc1F ZINC000509385229 835515639 /nfs/dbraw/zinc/51/56/39/835515639.db2.gz HIETZBKORQIHRL-UHFFFAOYSA-N 0 1 396.730 3.790 20 5 GHBDMN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000278633091 835661078 /nfs/dbraw/zinc/66/10/78/835661078.db2.gz MNGAWAXLOVRUQH-GFCCVEGCSA-N 0 1 389.843 3.572 20 5 GHBDMN O=C(Nc1nnc(/C=C\c2ccco2)s1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000255724518 835674700 /nfs/dbraw/zinc/67/47/00/835674700.db2.gz FLRPCNHSHYHGKF-ARJAWSKDSA-N 0 1 378.316 3.740 20 5 GHBDMN COc1ccccc1[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(C)c1)N1CCCCC1 ZINC000059782563 835783303 /nfs/dbraw/zinc/78/33/03/835783303.db2.gz RJKFFOMCKUXTCM-FQEVSTJZSA-N 0 1 397.475 3.869 20 5 GHBDMN C[C@@H]1CCCN(c2ccc(C(=O)Nc3ccc4nc[nH]c4c3)cc2[N+](=O)[O-])C1 ZINC000511327723 835919373 /nfs/dbraw/zinc/91/93/73/835919373.db2.gz UVULFPNVSZZFOD-CYBMUJFWSA-N 0 1 379.420 3.960 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CCNC(C)(C)c1nc(C)c(C)s1 ZINC000411384567 836160033 /nfs/dbraw/zinc/16/00/33/836160033.db2.gz IZHRICVORWDAFO-UHFFFAOYSA-N 0 1 392.481 3.530 20 5 GHBDMN COc1ccc2c(c1)CC[C@H](N[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)C2 ZINC000612402161 836178441 /nfs/dbraw/zinc/17/84/41/836178441.db2.gz QFYGIMPKMOFLLA-RXVVDRJESA-N 0 1 392.459 3.573 20 5 GHBDMN CC(C)Oc1cc(C(=O)NC[C@H](c2ccc(F)cc2)N(C)C)ccc1[N+](=O)[O-] ZINC000411520844 836197232 /nfs/dbraw/zinc/19/72/32/836197232.db2.gz XCTHYXWRBFASPI-GOSISDBHSA-N 0 1 389.427 3.554 20 5 GHBDMN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@H]1c1ccccc1Cl ZINC000582085252 836244094 /nfs/dbraw/zinc/24/40/94/836244094.db2.gz ZABIGUCTRRZKEJ-PBHICJAKSA-N 0 1 376.840 3.825 20 5 GHBDMN Cc1ccc2nc([C@H]3CCCN3CCC(=O)Nc3ccccc3[N+](=O)[O-])[nH]c2c1 ZINC000411733804 836304920 /nfs/dbraw/zinc/30/49/20/836304920.db2.gz RSZMSAWUZJWAJF-LJQANCHMSA-N 0 1 393.447 3.945 20 5 GHBDMN COCCN(CCCc1ccccc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000065959160 836356253 /nfs/dbraw/zinc/35/62/53/836356253.db2.gz QMMGSFURDJDYQM-UHFFFAOYSA-N 0 1 386.448 3.543 20 5 GHBDMN COc1ccc(OCCN2CC3(CCOCC3)[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000411997971 836488305 /nfs/dbraw/zinc/48/83/05/836488305.db2.gz JQXUZSFWSABMHK-NRFANRHFSA-N 0 1 398.459 3.836 20 5 GHBDMN Cc1ccc2nc([C@H]3CCCN3C(=O)COc3ccc([N+](=O)[O-])c(C)c3)[nH]c2c1 ZINC000430418270 837205339 /nfs/dbraw/zinc/20/53/39/837205339.db2.gz OHLXVFMILBYWFL-LJQANCHMSA-N 0 1 394.431 3.830 20 5 GHBDMN CCc1ccc(C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000155428438 837228121 /nfs/dbraw/zinc/22/81/21/837228121.db2.gz NFJFJANAIBIRFF-OAHLLOKOSA-N 0 1 382.464 3.508 20 5 GHBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCCC[C@H]2[C@H](C)O)cc1OC ZINC000580366486 837340889 /nfs/dbraw/zinc/34/08/89/837340889.db2.gz DXQMTOSKZFYHJC-ZOBUZTSGSA-N 0 1 380.485 3.764 20 5 GHBDMN C[N@@H+](Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)CC1(CO)CC1 ZINC000188954302 838005691 /nfs/dbraw/zinc/00/56/91/838005691.db2.gz WHHAHPUWQSAEDZ-UHFFFAOYSA-N 0 1 392.459 3.652 20 5 GHBDMN O=C(CCN(Cc1ccccc1[N+](=O)[O-])C1CC1)N1CCc2ccccc2C1 ZINC000189126988 838200034 /nfs/dbraw/zinc/20/00/34/838200034.db2.gz BKFLKIYIPLAYAY-UHFFFAOYSA-N 0 1 379.460 3.534 20 5 GHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N(Cc1ccco1)Cc1ccc(O)cc1 ZINC000157773731 838291848 /nfs/dbraw/zinc/29/18/48/838291848.db2.gz FCAXUAQOPCJKGF-UHFFFAOYSA-N 0 1 392.371 3.612 20 5 GHBDMN CC(C)(C)Oc1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1 ZINC000431856393 838498776 /nfs/dbraw/zinc/49/87/76/838498776.db2.gz JAXQMQDKQGEAER-UHFFFAOYSA-N 0 1 381.392 3.810 20 5 GHBDMN CSc1cccc(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000188049286 838505383 /nfs/dbraw/zinc/50/53/83/838505383.db2.gz JRUACNBHZSELGM-MRXNPFEDSA-N 0 1 385.489 3.711 20 5 GHBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)Nc1ccc(-c2ccco2)cc1F ZINC000447266369 838827103 /nfs/dbraw/zinc/82/71/03/838827103.db2.gz WJVLFNNZGSTKSY-UHFFFAOYSA-N 0 1 380.328 3.934 20 5 GHBDMN CCN(CC)Cc1ccccc1CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000129098039 844375731 /nfs/dbraw/zinc/37/57/31/844375731.db2.gz YDYIWCMQBSDWJF-UHFFFAOYSA-N 0 1 397.522 3.514 20 5 GHBDMN CC(C)Oc1cc(C(=O)N(C)CCCN(C)Cc2ccco2)ccc1[N+](=O)[O-] ZINC000412346722 838896735 /nfs/dbraw/zinc/89/67/35/838896735.db2.gz MUXVXQWRWYQFAT-UHFFFAOYSA-N 0 1 389.452 3.569 20 5 GHBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCC[C@@H](CO)[C@@H]2C)cc1OC ZINC000412086913 839482672 /nfs/dbraw/zinc/48/26/72/839482672.db2.gz OSWNXAYPYFVHMY-JYJNAYRXSA-N 0 1 380.485 3.621 20 5 GHBDMN Cc1csc(Sc2ccc(-c3nc(C4(N)CCC4)no3)cc2[N+](=O)[O-])n1 ZINC000261809519 839748874 /nfs/dbraw/zinc/74/88/74/839748874.db2.gz HPNZCZMSYBENLI-UHFFFAOYSA-N 0 1 389.462 3.899 20 5 GHBDMN O=C(NCc1cc([N+](=O)[O-])c(F)cc1F)c1cccc2nc(C(F)F)[nH]c21 ZINC001143382717 840400003 /nfs/dbraw/zinc/40/00/03/840400003.db2.gz CRQRVYPVNCDAIK-UHFFFAOYSA-N 0 1 382.273 3.617 20 5 GHBDMN C[C@H](NCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C(=O)NCCF ZINC000500432113 840806975 /nfs/dbraw/zinc/80/69/75/840806975.db2.gz XWLDBAUHMWIBQG-LBPRGKRZSA-N 0 1 395.818 3.604 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000120582688 844580001 /nfs/dbraw/zinc/58/00/01/844580001.db2.gz YLHNWAGQJIGTRT-NSHDSACASA-N 0 1 397.353 3.912 20 5 GHBDMN COc1ccc(NC(=O)CN2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000511841047 840914069 /nfs/dbraw/zinc/91/40/69/840914069.db2.gz FKLBGTZBHMHDOE-NSHGMRRFSA-N 0 1 395.459 3.810 20 5 GHBDMN O=C(NC[C@@H]1CCCCN1CCOc1cccc([N+](=O)[O-])c1)Nc1ccccc1 ZINC001167746005 841337801 /nfs/dbraw/zinc/33/78/01/841337801.db2.gz OKNPMWNLYROWCZ-IBGZPJMESA-N 0 1 398.463 3.650 20 5 GHBDMN CN(Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)[C@@H]1CCC(=O)N(C)C1 ZINC000600178238 861194180 /nfs/dbraw/zinc/19/41/80/861194180.db2.gz IQXCXIZTTROOPR-MRXNPFEDSA-N 0 1 387.411 3.579 20 5 GHBDMN Cc1cc(N2CCN(c3ncccc3Cl)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302140076 861215270 /nfs/dbraw/zinc/21/52/70/861215270.db2.gz FCLQWCFHHDFNFX-UHFFFAOYSA-N 0 1 383.839 3.826 20 5 GHBDMN Cc1c([C@H](C)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)cccc1[N+](=O)[O-] ZINC000157202481 841675721 /nfs/dbraw/zinc/67/57/21/841675721.db2.gz DNYMEJWETDRTOA-UXLLHSPISA-N 0 1 384.480 3.763 20 5 GHBDMN CC[C@@H](C)[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1nc2ccccc2[nH]1 ZINC000108777195 841693315 /nfs/dbraw/zinc/69/33/15/841693315.db2.gz KSRRKPZSGLECQQ-DIFFPNOSSA-N 0 1 392.419 3.865 20 5 GHBDMN CCc1cc(NC[C@@H](c2ccco2)N(C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000108851302 841718375 /nfs/dbraw/zinc/71/83/75/841718375.db2.gz YOSAXKSXWQPAND-KRWDZBQOSA-N 0 1 381.436 3.922 20 5 GHBDMN CC(C)(CCN1CCCCCC1)Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000302458884 861282873 /nfs/dbraw/zinc/28/28/73/861282873.db2.gz UXGSCDLMHRAPRQ-UHFFFAOYSA-N 0 1 389.543 3.516 20 5 GHBDMN O=C(Nc1ccc2nc(C3CCC3)[nH]c2c1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000161963366 861341094 /nfs/dbraw/zinc/34/10/94/861341094.db2.gz FKLGBMCMTSQSQA-UHFFFAOYSA-N 0 1 376.376 3.867 20 5 GHBDMN CN(CCCOc1ccc(F)cc1)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000728898056 842767367 /nfs/dbraw/zinc/76/73/67/842767367.db2.gz USJKVUDALRVDGJ-UHFFFAOYSA-N 0 1 384.411 3.956 20 5 GHBDMN CCOC(=O)c1cc(-c2nc(-c3cc4nc[nH]c4c(C)c3)no2)cc([N+](=O)[O-])c1 ZINC000544975929 843483559 /nfs/dbraw/zinc/48/35/59/843483559.db2.gz YLTJTYXEYGJMDL-UHFFFAOYSA-N 0 1 393.359 3.673 20 5 GHBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000481469760 861455572 /nfs/dbraw/zinc/45/55/72/861455572.db2.gz ZVFCBTJIGXEQLE-AULYBMBSSA-N 0 1 384.816 3.612 20 5 GHBDMN COC[C@H](C)N(Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1CCc2ccccc21 ZINC000599683243 861523947 /nfs/dbraw/zinc/52/39/47/861523947.db2.gz OWMJYGNLSXHSTA-BTYIYWSLSA-N 0 1 398.459 3.986 20 5 GHBDMN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000513353954 845267923 /nfs/dbraw/zinc/26/79/23/845267923.db2.gz OHKGCAMBWZAFRB-UHFFFAOYSA-N 0 1 384.823 3.953 20 5 GHBDMN CC(=O)Nc1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)c1C ZINC000176637448 845352455 /nfs/dbraw/zinc/35/24/55/845352455.db2.gz QFBYNUGCWLOUHI-UHFFFAOYSA-N 0 1 397.840 3.624 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N(C)Cc2cc(Br)cs2)c1[N+](=O)[O-] ZINC000433835641 845407331 /nfs/dbraw/zinc/40/73/31/845407331.db2.gz HWENWLLFTCFWOM-UHFFFAOYSA-N 0 1 387.259 3.538 20 5 GHBDMN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000119528768 845511884 /nfs/dbraw/zinc/51/18/84/845511884.db2.gz BTYNGBAVOKSVKH-BDAKNGLRSA-N 0 1 386.779 3.648 20 5 GHBDMN O=C(Nc1ccccc1)[C@H](NCCOc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000065535204 845730959 /nfs/dbraw/zinc/73/09/59/845730959.db2.gz OJNBHHISNCFXCJ-OAQYLSRUSA-N 0 1 391.427 3.943 20 5 GHBDMN COc1cccc([C@@H](C)N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000604047362 861661098 /nfs/dbraw/zinc/66/10/98/861661098.db2.gz PLTIFVFTVFJQTQ-VXGBXAGGSA-N 0 1 377.828 3.935 20 5 GHBDMN O=C(Cc1ccccc1)N1CCC[C@H](NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000509955730 846357380 /nfs/dbraw/zinc/35/73/80/846357380.db2.gz FQGWGKKDWKOKPF-KRWDZBQOSA-N 0 1 387.867 3.572 20 5 GHBDMN CCCN(CCc1cccs1)CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000766027932 861670309 /nfs/dbraw/zinc/67/03/09/861670309.db2.gz PYXUNQCPKZKTMS-UHFFFAOYSA-N 0 1 388.493 3.811 20 5 GHBDMN CCCN(CCc1ccc([N+](=O)[O-])cc1)CC(=O)Nc1ccc(F)c(F)c1F ZINC000051452557 846418545 /nfs/dbraw/zinc/41/85/45/846418545.db2.gz LTCOGPBKORMLLF-UHFFFAOYSA-N 0 1 395.381 3.905 20 5 GHBDMN COC(=O)c1ccc([N+](=O)[O-])c(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)c1 ZINC000302065607 847358589 /nfs/dbraw/zinc/35/85/89/847358589.db2.gz CUCPHIRHRDOBIZ-UHFFFAOYSA-N 0 1 390.808 3.971 20 5 GHBDMN C[C@@H]1C[C@H](C(=O)[O-])C[N@@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000422638848 847730537 /nfs/dbraw/zinc/73/05/37/847730537.db2.gz VHRBOJNQGRJMLG-WBVHZDCISA-N 0 1 383.448 3.905 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1CN[C@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000178729026 848773372 /nfs/dbraw/zinc/77/33/72/848773372.db2.gz XVSKELPKEOKGCZ-OAHLLOKOSA-N 0 1 396.447 3.767 20 5 GHBDMN CCCc1[nH]nc(C(=O)N2CCC([C@@H](F)c3ccccc3F)CC2)c1[N+](=O)[O-] ZINC000583220807 849363115 /nfs/dbraw/zinc/36/31/15/849363115.db2.gz NSJAINIFLVDMJR-MRXNPFEDSA-N 0 1 392.406 3.973 20 5 GHBDMN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](CN(C)C)c1ccc(Cl)c(Cl)c1 ZINC000600470140 862036021 /nfs/dbraw/zinc/03/60/21/862036021.db2.gz GJSJOXHNRWHDKP-MRXNPFEDSA-N 0 1 397.262 3.638 20 5 GHBDMN CC[C@H](C)c1nc([C@@H](C)Nc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)n[nH]1 ZINC000486796759 850106355 /nfs/dbraw/zinc/10/63/55/850106355.db2.gz LKDZDOWZUHNEQH-UONOGXRCSA-N 0 1 396.451 3.795 20 5 GHBDMN O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000504566408 850151036 /nfs/dbraw/zinc/15/10/36/850151036.db2.gz RKUBGGJKUSFQLZ-KRWDZBQOSA-N 0 1 375.375 3.691 20 5 GHBDMN C[C@@H]1CN(Cc2ccccc2)CCN1Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000732187833 862112973 /nfs/dbraw/zinc/11/29/73/862112973.db2.gz YNBFACHQXOENPJ-GOSISDBHSA-N 0 1 391.475 3.622 20 5 GHBDMN CCOc1ccc([C@H](C)NCc2ccc(C)cc2N2CCOCC2)cc1[N+](=O)[O-] ZINC000504893034 850421913 /nfs/dbraw/zinc/42/19/13/850421913.db2.gz AZAVEMOGIPELJA-KRWDZBQOSA-N 0 1 399.491 3.989 20 5 GHBDMN COc1cc(CNCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc2c1OCO2 ZINC000487203923 850547401 /nfs/dbraw/zinc/54/74/01/850547401.db2.gz MNDPUZWBZBEAKX-UHFFFAOYSA-N 0 1 384.310 3.641 20 5 GHBDMN CCN(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000434230887 850910416 /nfs/dbraw/zinc/91/04/16/850910416.db2.gz YGRQYXDLKXNCBP-NVXWUHKLSA-N 0 1 399.495 3.739 20 5 GHBDMN COc1cc(S(=O)(=O)Nc2ccc(-c3nccs3)cc2)ccc1[N+](=O)[O-] ZINC000469232159 850977053 /nfs/dbraw/zinc/97/70/53/850977053.db2.gz RALLIOXRVINVLM-UHFFFAOYSA-N 0 1 391.430 3.528 20 5 GHBDMN C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)[C@H]1c1ccc(Cl)cc1 ZINC000910368455 851159321 /nfs/dbraw/zinc/15/93/21/851159321.db2.gz AQDHXEDDBAQVTR-DOTOQJQBSA-N 0 1 375.812 3.804 20 5 GHBDMN Cc1cc(C)c([N+](=O)[O-])cc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000766043343 862226192 /nfs/dbraw/zinc/22/61/92/862226192.db2.gz RJYPUDFVPRFIGU-UHFFFAOYSA-N 0 1 399.812 3.882 20 5 GHBDMN O=C(Nc1ccc(OCc2ccccc2)c(Br)c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126474683 851305010 /nfs/dbraw/zinc/30/50/10/851305010.db2.gz BASFGDMYMACPML-UKRRQHHQSA-N 0 1 391.221 3.632 20 5 GHBDMN C[C@@H](CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCC(C)CC1 ZINC000436319930 851458698 /nfs/dbraw/zinc/45/86/98/851458698.db2.gz UEBIWSBSSMIOTC-INIZCTEOSA-N 0 1 377.488 3.532 20 5 GHBDMN Cc1cc(N(C)Cc2nc(-c3cccnc3)no2)c2cc([N+](=O)[O-])ccc2n1 ZINC000516124484 852173915 /nfs/dbraw/zinc/17/39/15/852173915.db2.gz LPGRCUMYFDZVNR-UHFFFAOYSA-N 0 1 376.376 3.533 20 5 GHBDMN CC(C)c1nn(-c2ccccc2)cc1CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000425989220 852315386 /nfs/dbraw/zinc/31/53/86/852315386.db2.gz JKXMZOJRAJZYPY-UHFFFAOYSA-N 0 1 394.479 3.938 20 5 GHBDMN CCN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000436965558 852537021 /nfs/dbraw/zinc/53/70/21/852537021.db2.gz KTXOAOGMFWHLST-CRAIPNDOSA-N 0 1 383.448 3.598 20 5 GHBDMN Cc1cc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)ccc1NC(=O)c1ccco1 ZINC000505918744 852585917 /nfs/dbraw/zinc/58/59/17/852585917.db2.gz JXZZOJKWDKXOJJ-UHFFFAOYSA-N 0 1 381.344 3.706 20 5 GHBDMN Cc1ccc([C@@H](C)NC(=O)NC[C@H](c2ccsc2)N(C)C)cc1[N+](=O)[O-] ZINC000489909380 852662255 /nfs/dbraw/zinc/66/22/55/852662255.db2.gz HGAXZYMGAOUCKE-CXAGYDPISA-N 0 1 376.482 3.628 20 5 GHBDMN Cc1cc2[nH]c(C(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)n[nH]3)cc2c(C)c1 ZINC000490394556 852984053 /nfs/dbraw/zinc/98/40/53/852984053.db2.gz CHGXXVUFNZZVJX-UHFFFAOYSA-N 0 1 376.376 3.730 20 5 GHBDMN C[C@H]1CCc2c(C(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)n[nH]3)csc2C1 ZINC000490403422 853013263 /nfs/dbraw/zinc/01/32/63/853013263.db2.gz WJGQPIKDMABFED-JTQLQIEISA-N 0 1 383.433 3.819 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 ZINC000427473868 853137948 /nfs/dbraw/zinc/13/79/48/853137948.db2.gz YOALGEXFXJVNEH-QGZVFWFLSA-N 0 1 380.404 3.765 20 5 GHBDMN C[C@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)N1CCC(Cc2ccccc2)CC1 ZINC000518388108 853293372 /nfs/dbraw/zinc/29/33/72/853293372.db2.gz RJRNFLLJFHTFBY-QGZVFWFLSA-N 0 1 381.476 3.554 20 5 GHBDMN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000517350345 853698489 /nfs/dbraw/zinc/69/84/89/853698489.db2.gz GMBMRJZQLHYUCR-UHFFFAOYSA-N 0 1 389.455 3.635 20 5 GHBDMN O=C(CN1CCC[C@H]1C1CC1)Nc1cc(N2CCC[C@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000591013121 853719673 /nfs/dbraw/zinc/71/96/73/853719673.db2.gz WKTZOJGRAOUNPH-PMACEKPBSA-N 0 1 398.507 3.787 20 5 GHBDMN O=[N+]([O-])c1ccc(Cl)c(CNCCOc2ccc(C(F)(F)F)cn2)c1 ZINC000760702640 854414800 /nfs/dbraw/zinc/41/48/00/854414800.db2.gz YICDEFIPRABMIU-UHFFFAOYSA-N 0 1 375.734 3.831 20 5 GHBDMN COc1cc(CNCC2(C(F)(F)F)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000589188903 854738910 /nfs/dbraw/zinc/73/89/10/854738910.db2.gz ONDCUKRBOLPGDQ-UHFFFAOYSA-N 0 1 384.301 3.679 20 5 GHBDMN NC(=O)Cc1ccc(CN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)cc1 ZINC000589344810 854800017 /nfs/dbraw/zinc/80/00/17/854800017.db2.gz LFRXLTZWRLJLAC-QFIPXVFZSA-N 0 1 375.428 3.502 20 5 GHBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC(c3c[nH]c4ncccc34)CC2)c1 ZINC000589496198 854907942 /nfs/dbraw/zinc/90/79/42/854907942.db2.gz ZOOKEGHROMHDMI-UHFFFAOYSA-N 0 1 394.431 3.637 20 5 GHBDMN C[C@H](NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000543546999 862654174 /nfs/dbraw/zinc/65/41/74/862654174.db2.gz QZJWRHIKMWDPNS-QHRIQVFBSA-N 0 1 380.404 3.688 20 5 GHBDMN Cc1cccc2nc(CCC(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)[nH]c21 ZINC000129569389 855527527 /nfs/dbraw/zinc/52/75/27/855527527.db2.gz FEMVOAMIXSDCSA-UHFFFAOYSA-N 0 1 378.432 3.903 20 5 GHBDMN O=C(CN1CC[C@@H]2CCC[C@@H]21)Nc1cc(N2CC[C@@H]3CCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000591029757 855726690 /nfs/dbraw/zinc/72/66/90/855726690.db2.gz KLTBOYYQXYVOGJ-FVCZOJIISA-N 0 1 398.507 3.787 20 5 GHBDMN C[C@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl ZINC000026712333 856216594 /nfs/dbraw/zinc/21/65/94/856216594.db2.gz QIYVUCGXETXWCI-SMDDNHRTSA-N 0 1 385.247 3.992 20 5 GHBDMN Cc1ccc(Sc2ccc(CN[C@H](C)CS(C)(=O)=O)cc2[N+](=O)[O-])cc1 ZINC000172122308 856346275 /nfs/dbraw/zinc/34/62/75/856346275.db2.gz UPXNOANTCVCQBI-CQSZACIVSA-N 0 1 394.518 3.577 20 5 GHBDMN Cc1cccc(NC(=O)[C@H]2CCCN(C/C=C/c3ccccc3[N+](=O)[O-])C2)n1 ZINC000091685574 856547809 /nfs/dbraw/zinc/54/78/09/856547809.db2.gz WPQNFLGVQZJHHY-YXOJNZSOSA-N 0 1 380.448 3.662 20 5 GHBDMN CN(C)c1ccccc1CN(Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592130763 856669516 /nfs/dbraw/zinc/66/95/16/856669516.db2.gz MWSIBJWWDUTNTD-MXVIHJGJSA-N 0 1 383.492 3.967 20 5 GHBDMN CCCCN(CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCc2ncsc2C1 ZINC000592188400 856685172 /nfs/dbraw/zinc/68/51/72/856685172.db2.gz OQBBJPWGZMULAA-AWEZNQCLSA-N 0 1 388.493 3.649 20 5 GHBDMN C[C@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000173212318 856809984 /nfs/dbraw/zinc/80/99/84/856809984.db2.gz OTPKZMGPHIZMQI-NSHDSACASA-N 0 1 383.326 3.783 20 5 GHBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCC[C@@H]2C[C@@H](C)O)cc1OC ZINC000542918264 856810497 /nfs/dbraw/zinc/81/04/97/856810497.db2.gz WCRCBFUFFQTKER-ZMSDIMECSA-N 0 1 380.485 3.764 20 5 GHBDMN C[C@]1(c2ccccc2)CCCN(Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000733299307 862845736 /nfs/dbraw/zinc/84/57/36/862845736.db2.gz NGKMHYIARRCVMU-NRFANRHFSA-N 0 1 377.448 3.865 20 5 GHBDMN COc1ccc(NS(=O)(=O)c2cc(C(C)(C)C)ccc2OC)cc1[N+](=O)[O-] ZINC000592353751 857169707 /nfs/dbraw/zinc/16/97/07/857169707.db2.gz RIPJRJRKUBYAKY-UHFFFAOYSA-N 0 1 394.449 3.710 20 5 GHBDMN C[C@@H](Nc1ccc(-c2nc([C@H]3CCCN3)no2)cc1[N+](=O)[O-])c1ccccn1 ZINC000592357277 857194604 /nfs/dbraw/zinc/19/46/04/857194604.db2.gz UYHZRQAHRJXQFE-MLGOLLRUSA-N 0 1 380.408 3.637 20 5 GHBDMN COc1ccc(CN(CCn2cc([N+](=O)[O-])cn2)Cc2ccc(OC)cc2)cc1 ZINC000174845610 857396146 /nfs/dbraw/zinc/39/61/46/857396146.db2.gz ZLAOLFLYGPJCNI-UHFFFAOYSA-N 0 1 396.447 3.511 20 5 GHBDMN O=C(CCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)NC1CCCCC1 ZINC000113325719 857429187 /nfs/dbraw/zinc/42/91/87/857429187.db2.gz CWWOTQHCQFEZHV-UHFFFAOYSA-N 0 1 388.493 3.647 20 5 GHBDMN Cc1ccc(C)c(N2CCN(CCC(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)c1 ZINC000486233151 857574693 /nfs/dbraw/zinc/57/46/93/857574693.db2.gz NFDICSPWQMEYEY-UHFFFAOYSA-N 0 1 396.491 3.671 20 5 GHBDMN Cc1ccc(-c2nn(C)cc2CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)o1 ZINC000592499712 857575847 /nfs/dbraw/zinc/57/58/47/857575847.db2.gz CDLFCRJSIXKSCX-UHFFFAOYSA-N 0 1 396.447 3.940 20 5 GHBDMN CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1c1ccc([N+](=O)[O-])c(C)n1 ZINC000301790922 857768099 /nfs/dbraw/zinc/76/80/99/857768099.db2.gz NUUCRPCICFYMFX-YWZLYKJASA-N 0 1 383.496 3.739 20 5 GHBDMN Cc1ccc(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc1F ZINC000521279274 857809623 /nfs/dbraw/zinc/80/96/23/857809623.db2.gz AERBVZOEHHUREZ-UHFFFAOYSA-N 0 1 389.202 3.606 20 5 GHBDMN C[C@H](Sc1nc(-c2ccccc2F)n[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000009837129 858005675 /nfs/dbraw/zinc/00/56/75/858005675.db2.gz NVHGIOWCVVQXJF-JTQLQIEISA-N 0 1 387.396 3.638 20 5 GHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCCC[C@H]1Cc1ccc(F)cc1 ZINC000521505286 858056961 /nfs/dbraw/zinc/05/69/61/858056961.db2.gz JFAHQNWWMHIQNC-HNNXBMFYSA-N 0 1 382.395 3.848 20 5 GHBDMN Cc1c(NC(=O)NC2CCN([C@H](C)c3ccncc3)CC2)cccc1[N+](=O)[O-] ZINC000159778184 862991826 /nfs/dbraw/zinc/99/18/26/862991826.db2.gz BECNFJYBVYMVPW-OAHLLOKOSA-N 0 1 383.452 3.645 20 5 GHBDMN Cc1cc(Br)c2c(c1)CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)CC2 ZINC000428263311 858194156 /nfs/dbraw/zinc/19/41/56/858194156.db2.gz WBORDGWTCRPLHY-UHFFFAOYSA-N 0 1 391.221 3.570 20 5 GHBDMN O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@@H](Cc1ccccc1)[C@H](O)C(F)(F)F ZINC000594511326 858205180 /nfs/dbraw/zinc/20/51/80/858205180.db2.gz FXPAHBYRZCOGML-BQFCYCMXSA-N 0 1 380.366 3.706 20 5 GHBDMN CCOC(=O)C1CCN(Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)CC1 ZINC000158091947 858325955 /nfs/dbraw/zinc/32/59/55/858325955.db2.gz DFYHAIIVMBUXMO-UHFFFAOYSA-N 0 1 388.420 3.639 20 5 GHBDMN COc1cc(CN[C@H]2COC(C)(C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000594969575 858333280 /nfs/dbraw/zinc/33/32/80/858333280.db2.gz XHUVWCNOAQLASG-QGZVFWFLSA-N 0 1 386.448 3.840 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCc1ccc(CN2CCCC2=O)cc1 ZINC000595019513 858351966 /nfs/dbraw/zinc/35/19/66/858351966.db2.gz XHLIOPPBUUPIGK-OAHLLOKOSA-N 0 1 383.448 3.577 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@H](Cc1nccn1C)c1ccccc1 ZINC000595016905 858352194 /nfs/dbraw/zinc/35/21/94/858352194.db2.gz AVAJUYBAKITJEH-DNVCBOLYSA-N 0 1 380.448 3.972 20 5 GHBDMN Cc1ccc2nc([C@H]3CCCN(C(=O)c4cc(F)cc([N+](=O)[O-])c4)C3)[nH]c2c1 ZINC000521843453 858360258 /nfs/dbraw/zinc/36/02/58/858360258.db2.gz QEQIDUQKAXMFDA-ZDUSSCGKSA-N 0 1 382.395 3.938 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCc1ccc(NC(=O)NC(C)C)cc1 ZINC000595010400 858365152 /nfs/dbraw/zinc/36/51/52/858365152.db2.gz BUUYZJPPGDFDGA-AWEZNQCLSA-N 0 1 386.452 3.984 20 5 GHBDMN O=[N+]([O-])c1cnc2ccc(NC[C@H](c3cccc(Cl)c3)N3CCCC3)nn21 ZINC000301862416 858385778 /nfs/dbraw/zinc/38/57/78/858385778.db2.gz ALHJQMFDUUEELR-OAHLLOKOSA-N 0 1 386.843 3.540 20 5 GHBDMN CCN(CC)Cc1ccc(C(=O)Nc2cc(C)nn2-c2ccc([N+](=O)[O-])cc2)o1 ZINC000592946723 858425668 /nfs/dbraw/zinc/42/56/68/858425668.db2.gz BNPOZFAYZROZON-UHFFFAOYSA-N 0 1 397.435 3.776 20 5 GHBDMN O=C([O-])[C@@H]1C[C@H](C2CCCCC2)C[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000595279961 858459492 /nfs/dbraw/zinc/45/94/92/858459492.db2.gz MDLZUFLKJOZQCM-LPHOPBHVSA-N 0 1 376.453 3.719 20 5 GHBDMN CN(C)Cc1ccc(CNc2ncc([N+](=O)[O-])cc2Br)cc1F ZINC000301898989 858610549 /nfs/dbraw/zinc/61/05/49/858610549.db2.gz XNMJRNFYRUWGPX-UHFFFAOYSA-N 0 1 383.221 3.565 20 5 GHBDMN COc1cc(CN2CCC[C@@H](CCF)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000595755134 858676475 /nfs/dbraw/zinc/67/64/75/858676475.db2.gz GYMFNPNTVUNKGC-LBPRGKRZSA-N 0 1 376.375 3.819 20 5 GHBDMN CN(c1ccccc1)[C@@H]1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000595828527 858701418 /nfs/dbraw/zinc/70/14/18/858701418.db2.gz TXCCYGZAURWLBB-HXUWFJFHSA-N 0 1 378.432 3.961 20 5 GHBDMN Cc1cccc(CN2CCCC[C@@H]2C(=O)NCCc2ccccc2[N+](=O)[O-])c1 ZINC001128630554 863059833 /nfs/dbraw/zinc/05/98/33/863059833.db2.gz VBVYWXSENORCCZ-OAQYLSRUSA-N 0 1 381.476 3.617 20 5 GHBDMN CCN(CC)[C@H](CNc1ccc([N+](=O)[O-])c(C(N)=O)c1)c1ccccc1Cl ZINC000596056058 858759420 /nfs/dbraw/zinc/75/94/20/858759420.db2.gz VXPXVZXZKOOJDE-GOSISDBHSA-N 0 1 390.871 3.842 20 5 GHBDMN COc1ccc(CC(=O)N2CCC[C@@H]2c2nc3ccc(C)cc3[nH]2)cc1[N+](=O)[O-] ZINC000067822084 858773248 /nfs/dbraw/zinc/77/32/48/858773248.db2.gz XLCKXWMURQXDDF-QGZVFWFLSA-N 0 1 394.431 3.694 20 5 GHBDMN O=C1[C@H](NCc2ccc([N+](=O)[O-])cc2)CCN1c1ccccc1C(F)(F)F ZINC000184995689 858811317 /nfs/dbraw/zinc/81/13/17/858811317.db2.gz GYLICLMMFTUDHB-OAHLLOKOSA-N 0 1 379.338 3.509 20 5 GHBDMN COc1ccc(-c2nc(CN[C@@H](C)Cc3ccc(OC)cc3[N+](=O)[O-])co2)cc1 ZINC001170319250 881348734 /nfs/dbraw/zinc/34/87/34/881348734.db2.gz VZFZGZJAQGGRJX-AWEZNQCLSA-N 0 1 397.431 3.988 20 5 GHBDMN O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000116102934 858835498 /nfs/dbraw/zinc/83/54/98/858835498.db2.gz BAKRVNHSAFLICL-UHFFFAOYSA-N 0 1 391.830 3.782 20 5 GHBDMN CC(C)c1ccc([C@H](C)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000543598140 858917877 /nfs/dbraw/zinc/91/78/77/858917877.db2.gz ZPHYBBWLTHIVCA-HNNXBMFYSA-N 0 1 376.478 3.843 20 5 GHBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000429420720 859325040 /nfs/dbraw/zinc/32/50/40/859325040.db2.gz TXFZEVTWOGJRNU-GHMZBOCLSA-N 0 1 389.824 3.837 20 5 GHBDMN O=C(Nc1ccc(-c2nnc[nH]2)cc1F)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001128483317 859368063 /nfs/dbraw/zinc/36/80/63/859368063.db2.gz WJAPNXLSSYBTEA-UHFFFAOYSA-N 0 1 395.272 3.790 20 5 GHBDMN CCN(CCc1ccccn1)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000764316171 859377628 /nfs/dbraw/zinc/37/76/28/859377628.db2.gz UOCOGUFUPTYOEE-CYBMUJFWSA-N 0 1 376.844 3.535 20 5 GHBDMN COc1ccc(C[C@@H](C)N2CCC[C@H]2CNC(=O)OC(C)(C)C)c([N+](=O)[O-])c1 ZINC001170346539 881469497 /nfs/dbraw/zinc/46/94/97/881469497.db2.gz OATBQNQWVKEDPM-ZBFHGGJFSA-N 0 1 393.484 3.524 20 5 GHBDMN O=C(NC1(c2ccc(Br)cc2)CCCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000597892006 859883212 /nfs/dbraw/zinc/88/32/12/859883212.db2.gz YZHVLBYWKKHNQT-UHFFFAOYSA-N 0 1 393.241 3.670 20 5 GHBDMN CC[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1ccc(Cl)s1 ZINC000543485558 859902203 /nfs/dbraw/zinc/90/22/03/859902203.db2.gz LLDHSLYPWWKQKX-LLVKDONJSA-N 0 1 383.857 3.998 20 5 GHBDMN CCC[C@@H](NCCS(=O)(=O)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000765329600 859910764 /nfs/dbraw/zinc/91/07/64/859910764.db2.gz WJQRKZRYNULIQH-LJQANCHMSA-N 0 1 376.478 3.641 20 5 GHBDMN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC(c3nc(-c4ccccc4)no3)CC2)c1 ZINC000153993121 859954870 /nfs/dbraw/zinc/95/48/70/859954870.db2.gz GZSVVYKJXXVOOO-IBGZPJMESA-N 0 1 394.431 3.558 20 5 GHBDMN CCN(CC)[C@@H](C(=O)Nc1cc(C)nc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC001127864025 859981232 /nfs/dbraw/zinc/98/12/32/859981232.db2.gz GYXXNNZUENYTPL-OAQYLSRUSA-N 0 1 392.459 3.895 20 5 GHBDMN O=[N+]([O-])c1ccc(N2CCC(N[C@@H](c3nccs3)c3ccccc3)CC2)cn1 ZINC000602533190 860101249 /nfs/dbraw/zinc/10/12/49/860101249.db2.gz LTZUADWHOFKVQQ-LJQANCHMSA-N 0 1 395.488 3.794 20 5 GHBDMN CCCc1[nH]nc(C(=O)N2CCC[C@@H](Oc3ccccc3Cl)C2)c1[N+](=O)[O-] ZINC000131348090 860168296 /nfs/dbraw/zinc/16/82/96/860168296.db2.gz NISRYFRXVIRSPN-GFCCVEGCSA-N 0 1 392.843 3.607 20 5 GHBDMN Cc1ccc([C@@H](C)N[C@H]2CCN(c3c(F)cccc3F)C2=O)cc1[N+](=O)[O-] ZINC000124704544 860474866 /nfs/dbraw/zinc/47/48/66/860474866.db2.gz XJAVWNHEJXKUMY-WBMJQRKESA-N 0 1 375.375 3.638 20 5 GHBDMN COCCN1CCC[C@H](Nc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000729987186 860485371 /nfs/dbraw/zinc/48/53/71/860485371.db2.gz FXCVAQOADLQQIM-JTQLQIEISA-N 0 1 381.782 3.790 20 5 GHBDMN COC(=O)[C@@H](C)CN(Cc1ccccc1)Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000761293238 860674550 /nfs/dbraw/zinc/67/45/50/860674550.db2.gz UOCKXJVNEHYURN-HNNXBMFYSA-N 0 1 396.447 3.522 20 5 GHBDMN CC[C@H](NCc1ccc(OC)c([N+](=O)[O-])c1)c1cc(OC)c(OC)c(OC)c1 ZINC000593704863 860938374 /nfs/dbraw/zinc/93/83/74/860938374.db2.gz XQDWDSATDMDAJX-HNNXBMFYSA-N 0 1 390.436 3.870 20 5 GHBDMN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1cccc(Br)c1O ZINC000730274824 860995257 /nfs/dbraw/zinc/99/52/57/860995257.db2.gz YMOUPFYZNNRSME-UHFFFAOYSA-N 0 1 399.628 3.989 20 5 GHBDMN C[C@@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1cccc(O)c1 ZINC000160126214 863331317 /nfs/dbraw/zinc/33/13/17/863331317.db2.gz KINSIUFHVCMQAW-MRVPVSSYSA-N 0 1 391.232 3.647 20 5 GHBDMN CC(C)c1nc([C@H](C)NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)n[nH]1 ZINC000444297068 863831885 /nfs/dbraw/zinc/83/18/85/863831885.db2.gz WWMWIMFCMNNLHH-NSHDSACASA-N 0 1 393.422 3.553 20 5 GHBDMN O=C(O[C@H]1CCN(Cc2ccccc2)C1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000735221331 864691133 /nfs/dbraw/zinc/69/11/33/864691133.db2.gz NWENGDAJGKLYEB-IBGZPJMESA-N 0 1 395.459 3.626 20 5 GHBDMN C[C@@H](NC(=O)[C@@H](C)N(C)CCc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000554846829 865011379 /nfs/dbraw/zinc/01/13/79/865011379.db2.gz JVMNJCAPANWDPN-HUUCEWRRSA-N 0 1 389.883 3.988 20 5 GHBDMN C[C@@H](C(=O)N1CCC[C@H]1c1cccs1)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000554834606 865014959 /nfs/dbraw/zinc/01/49/59/865014959.db2.gz KFQMULSGGKYRFT-YJBOKZPZSA-N 0 1 387.505 3.883 20 5 GHBDMN CN(C(=O)c1cc(F)c(F)cc1[N+](=O)[O-])[C@H]1CCCN(Cc2ccccc2)C1 ZINC000174051534 865369494 /nfs/dbraw/zinc/36/94/94/865369494.db2.gz ONTSSAOOIZHYHJ-HNNXBMFYSA-N 0 1 389.402 3.610 20 5 GHBDMN C[C@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000716275987 865383602 /nfs/dbraw/zinc/38/36/02/865383602.db2.gz DUMSCTCDICUCRF-LIRRHRJNSA-N 0 1 387.867 3.889 20 5 GHBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCc2ccc(O)cc2CC1 ZINC000608866598 865767055 /nfs/dbraw/zinc/76/70/55/865767055.db2.gz CIIGRVVJDSIRCI-CYBMUJFWSA-N 0 1 380.404 3.512 20 5 GHBDMN CN(C)c1nc2ccc(NC(=O)c3cccc4c(=O)c5ccccc5[nH]c34)cc2[nH]1 ZINC000555318087 865869576 /nfs/dbraw/zinc/86/95/76/865869576.db2.gz KYUCAYDVJDUEOC-UHFFFAOYSA-N 0 1 397.438 3.876 20 5 GHBDMN Cc1c(C(=O)Nc2ccc(C(=O)NC3CCCCC3)c(O)c2)cccc1[N+](=O)[O-] ZINC000444390532 866056360 /nfs/dbraw/zinc/05/63/60/866056360.db2.gz GSASEQXCLNGEBW-UHFFFAOYSA-N 0 1 397.431 3.924 20 5 GHBDMN C[C@H](N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000478906398 866856909 /nfs/dbraw/zinc/85/69/09/866856909.db2.gz QFFXJJQJKIGRLY-APPDUMDISA-N 0 1 377.803 3.843 20 5 GHBDMN O=[N+]([O-])c1ccc2[nH]c(CNC3(c4ccc(Cl)cc4)CCOCC3)nc2c1 ZINC000444665935 867036283 /nfs/dbraw/zinc/03/62/83/867036283.db2.gz VSGWAIKHIPKJCY-UHFFFAOYSA-N 0 1 386.839 3.920 20 5 GHBDMN C[C@@H]1CN(Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)CC[C@@H]1c1ccccc1 ZINC000742166432 867090547 /nfs/dbraw/zinc/09/05/47/867090547.db2.gz PSWPILHHKBSGKV-APWZRJJASA-N 0 1 377.448 3.936 20 5 GHBDMN COc1ccc(CC(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)cc1[N+](=O)[O-] ZINC000534706277 867291399 /nfs/dbraw/zinc/29/13/99/867291399.db2.gz VOGJUADPWVLUNC-UHFFFAOYSA-N 0 1 376.319 3.599 20 5 GHBDMN O=C(Nc1nc2c(cccc2Br)s1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000553408797 867368166 /nfs/dbraw/zinc/36/81/66/867368166.db2.gz VWKHJALYOXWKHU-UHFFFAOYSA-N 0 1 394.206 3.925 20 5 GHBDMN COc1ccc(-c2ccc(CN[C@H](C)c3n[nH]c(C(C)C)n3)o2)c([N+](=O)[O-])c1 ZINC000534975196 867859214 /nfs/dbraw/zinc/85/92/14/867859214.db2.gz FQTGQMKOFADLMB-GFCCVEGCSA-N 0 1 385.424 3.956 20 5 GHBDMN CC(C)(CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccccc1Cl ZINC000609076272 868803965 /nfs/dbraw/zinc/80/39/65/868803965.db2.gz SNNKJXRPJNVTHK-UHFFFAOYSA-N 0 1 386.832 3.643 20 5 GHBDMN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)CCCOc1ccccc1 ZINC000029852193 869567072 /nfs/dbraw/zinc/56/70/72/869567072.db2.gz VOYKJCRAZZUEDZ-AWEZNQCLSA-N 0 1 391.855 3.976 20 5 GHBDMN COc1cc(CN[C@@H]2C[C@H](O)C23CCC3)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000594986723 869655119 /nfs/dbraw/zinc/65/51/19/869655119.db2.gz HBMOXJWNOCGPTL-RTWAWAEBSA-N 0 1 398.459 3.576 20 5 GHBDMN CC(C)c1ccc(CN[C@@H]2CC(=O)N([C@H]3C[C@@H]3c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000462752795 870001231 /nfs/dbraw/zinc/00/12/31/870001231.db2.gz BYFPFEFLUZJYDQ-NRSPTQNISA-N 0 1 393.487 3.965 20 5 GHBDMN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000446653794 870149598 /nfs/dbraw/zinc/14/95/98/870149598.db2.gz OFJAXVIPLRTCQV-GFCCVEGCSA-N 0 1 376.482 3.755 20 5 GHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCc2ccc(C3CCCC3)cc2)cc1 ZINC000462909771 870363327 /nfs/dbraw/zinc/36/33/27/870363327.db2.gz GVQUFQQLSKLNJM-UHFFFAOYSA-N 0 1 388.489 3.816 20 5 GHBDMN CCOc1ccc([C@@H](C)NCc2cccc(N3CCCC3=O)c2)cc1[N+](=O)[O-] ZINC000152903054 870368201 /nfs/dbraw/zinc/36/82/01/870368201.db2.gz ARYVBAXMBGWYBI-OAHLLOKOSA-N 0 1 383.448 3.971 20 5 GHBDMN Cc1ccc([C@H](C)NCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])cc1[N+](=O)[O-] ZINC000775550346 870699063 /nfs/dbraw/zinc/69/90/63/870699063.db2.gz ZPGALYJULOHFEP-NSHDSACASA-N 0 1 392.799 3.754 20 5 GHBDMN O=C(Nc1nc2ccc(Br)cc2[nH]1)c1cc(F)c([N+](=O)[O-])cc1F ZINC000763491321 870744269 /nfs/dbraw/zinc/74/42/69/870744269.db2.gz HVBJPBYNZANZAH-UHFFFAOYSA-N 0 1 397.135 3.764 20 5 GHBDMN CC(C)(C)CCN1CCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000463177076 871047545 /nfs/dbraw/zinc/04/75/45/871047545.db2.gz OEKRESVYNTVAHQ-UHFFFAOYSA-N 0 1 387.402 3.808 20 5 GHBDMN CCOc1ccc([N+](=O)[O-])cc1CN[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CC ZINC001203173788 871086564 /nfs/dbraw/zinc/08/65/64/871086564.db2.gz DDBRZSSVQALALO-DLBZAZTESA-N 0 1 393.484 3.871 20 5 GHBDMN CC(C)(C)OC(=O)N1CCN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)[C@@H](c2ccccc2)C1 ZINC001169046681 871127719 /nfs/dbraw/zinc/12/77/19/871127719.db2.gz LSYFHEGKQNSIAQ-NZSAHSFTSA-N 0 1 389.496 3.726 20 5 GHBDMN C[C@@H](NCC(=O)NCC1(c2ccccc2)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000540378509 871172100 /nfs/dbraw/zinc/17/21/00/871172100.db2.gz CSEZTNSXCXWQLN-QGZVFWFLSA-N 0 1 381.476 3.874 20 5 GHBDMN C[C@@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001169527458 871607113 /nfs/dbraw/zinc/60/71/13/871607113.db2.gz MPJAWIFPZASCTR-AUUYWEPGSA-N 0 1 387.867 3.889 20 5 GHBDMN C[C@H](NCC(=O)Nc1ccnn1CC1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000539279024 871607317 /nfs/dbraw/zinc/60/73/17/871607317.db2.gz IOYVOIPKADTGIJ-HNNXBMFYSA-N 0 1 385.468 3.661 20 5 GHBDMN Cc1ccc([C@H](C)NC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000462204241 871806572 /nfs/dbraw/zinc/80/65/72/871806572.db2.gz PZIWCHHPHNXQFC-ZWOKBUDYSA-N 0 1 396.491 3.784 20 5 GHBDMN COc1ccccc1[C@H](CC(C)C)NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000539379433 871861188 /nfs/dbraw/zinc/86/11/88/871861188.db2.gz BFMSBEOXZOJDHM-IBGZPJMESA-N 0 1 397.475 3.870 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCC[C@@H]1CC[C@H]2C[C@H]21 ZINC001194918316 872031347 /nfs/dbraw/zinc/03/13/47/872031347.db2.gz YVMRQFJRMJBTSW-QXEWZRGKSA-N 0 1 379.265 3.616 20 5 GHBDMN CN(C)[C@@H]1CCOc2c(NC(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)cccc21 ZINC000447728208 872170705 /nfs/dbraw/zinc/17/07/05/872170705.db2.gz LBQZUWGGCAOOLO-MRXNPFEDSA-N 0 1 380.404 3.714 20 5 GHBDMN CN(C)[C@@H]1CCOc2c(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])cccc21 ZINC000447733546 872218993 /nfs/dbraw/zinc/21/89/93/872218993.db2.gz ZJJMBXCBEFNZJL-OAHLLOKOSA-N 0 1 375.812 3.886 20 5 GHBDMN Cc1ccc(Sc2ccc(CN[C@@H](CO)[C@H]3CCCO3)cc2[N+](=O)[O-])cc1 ZINC000447968741 872581275 /nfs/dbraw/zinc/58/12/75/872581275.db2.gz RPMXDHCSIKERER-PKOBYXMFSA-N 0 1 388.489 3.684 20 5 GHBDMN CC[C@@H](NCc1ccc([N+](=O)[O-])cc1F)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000478252115 872735270 /nfs/dbraw/zinc/73/52/70/872735270.db2.gz GZLROZDIYLELLK-WOJBJXKFSA-N 0 1 383.427 3.792 20 5 GHBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCC[C@@H]([C@H](C)O)C2)cc1OC ZINC000541059426 872817133 /nfs/dbraw/zinc/81/71/33/872817133.db2.gz GIPXEAYLEHPOFD-HRCADAONSA-N 0 1 380.485 3.621 20 5 GHBDMN CCc1[nH]nc(C(=O)N2CCC[C@@H]2c2ccccc2C(F)(F)F)c1[N+](=O)[O-] ZINC000767857913 872896882 /nfs/dbraw/zinc/89/68/82/872896882.db2.gz OYAKVDUOBVPHDF-CYBMUJFWSA-N 0 1 382.342 3.876 20 5 GHBDMN C[C@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])c2ccc(Br)cc2O1 ZINC001196459365 873142669 /nfs/dbraw/zinc/14/26/69/873142669.db2.gz SMLXJESFBVTBIY-JTQLQIEISA-N 0 1 379.210 3.850 20 5 GHBDMN C[C@@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])c2ccc(Br)cc2O1 ZINC001196459366 873142824 /nfs/dbraw/zinc/14/28/24/873142824.db2.gz SMLXJESFBVTBIY-SNVBAGLBSA-N 0 1 379.210 3.850 20 5 GHBDMN O=C1[C@@H](N2CCC(c3ccc(F)cc3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC001197021183 873546328 /nfs/dbraw/zinc/54/63/28/873546328.db2.gz QCTVMWGAISTYNB-FQEVSTJZSA-N 0 1 383.423 3.719 20 5 GHBDMN CC(C)(C)OC(=O)N[C@H]1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000769065181 873795413 /nfs/dbraw/zinc/79/54/13/873795413.db2.gz RSUHHNOEDHNCJH-HNNXBMFYSA-N 0 1 387.436 3.954 20 5 GHBDMN CN(CCOC(=O)CSc1ccc([N+](=O)[O-])cc1)Cc1ccc(F)cc1 ZINC000769067072 873797578 /nfs/dbraw/zinc/79/75/78/873797578.db2.gz MWDLJVILDCPJTQ-UHFFFAOYSA-N 0 1 378.425 3.501 20 5 GHBDMN CN(C)c1cccc([C@H]2CCCN2Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC000769461861 874086054 /nfs/dbraw/zinc/08/60/54/874086054.db2.gz YLVUTPPOWWHPFD-GOSISDBHSA-N 0 1 383.448 3.769 20 5 GHBDMN CC(C)(C)OC(=O)NC[C@@H](NCc1c(F)cccc1[N+](=O)[O-])C1CCCC1 ZINC000769921826 874345507 /nfs/dbraw/zinc/34/55/07/874345507.db2.gz UVQJPDFDMIVJJN-MRXNPFEDSA-N 0 1 381.448 3.907 20 5 GHBDMN O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000770012639 874380470 /nfs/dbraw/zinc/38/04/70/874380470.db2.gz DZPAQYVFKFBUFN-NSHDSACASA-N 0 1 390.831 3.655 20 5 GHBDMN CC(C)c1nc2c([nH]1)CC[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000476677932 882835802 /nfs/dbraw/zinc/83/58/02/882835802.db2.gz QRDWJIWJOSRSHD-LLVKDONJSA-N 0 1 376.844 3.516 20 5 GHBDMN Cc1ccc(-c2n[nH]c(SCC(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000053479332 874600593 /nfs/dbraw/zinc/60/05/93/874600593.db2.gz LKRFBLUYMNQWLH-CYBMUJFWSA-N 0 1 397.460 3.658 20 5 GHBDMN COc1cccc(-c2noc([C@@H](C)N[C@H](C)Cc3ccccc3[N+](=O)[O-])n2)c1 ZINC000449279868 874665729 /nfs/dbraw/zinc/66/57/29/874665729.db2.gz UFDUEOGLOALJAD-ZIAGYGMSSA-N 0 1 382.420 3.935 20 5 GHBDMN COc1cccc(-c2noc([C@H](C)N[C@H](C)Cc3ccccc3[N+](=O)[O-])n2)c1 ZINC000449279866 874665798 /nfs/dbraw/zinc/66/57/98/874665798.db2.gz UFDUEOGLOALJAD-KGLIPLIRSA-N 0 1 382.420 3.935 20 5 GHBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCCC[C@H]2CCO)cc1OC ZINC000541985235 874673418 /nfs/dbraw/zinc/67/34/18/874673418.db2.gz XSZICPJCHWRCRP-RDJZCZTQSA-N 0 1 380.485 3.765 20 5 GHBDMN COc1ccc(NS(=O)(=O)c2ccc(F)cc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000542001698 874739863 /nfs/dbraw/zinc/73/98/63/874739863.db2.gz PZTWLRIKOKLWMF-UHFFFAOYSA-N 0 1 394.302 3.562 20 5 GHBDMN COc1cccc(-c2nc(C)c(C(=O)OCc3ccc(OC)c([N+](=O)[O-])c3)[nH]2)c1 ZINC000772092975 875671838 /nfs/dbraw/zinc/67/18/38/875671838.db2.gz BWLAKWRQVFFOON-UHFFFAOYSA-N 0 1 397.387 3.668 20 5 GHBDMN CCOc1cc(CN2CCC(CCC(=O)N(CC)CC)CC2)ccc1[N+](=O)[O-] ZINC000491821922 875962683 /nfs/dbraw/zinc/96/26/83/875962683.db2.gz SMBOWZOVKOXAHM-UHFFFAOYSA-N 0 1 391.512 3.854 20 5 GHBDMN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N(CC1CCC1)CC(F)(F)F ZINC000450115729 875984155 /nfs/dbraw/zinc/98/41/55/875984155.db2.gz PDSPMTYBXBPLMG-UHFFFAOYSA-N 0 1 382.342 3.790 20 5 GHBDMN NS(=O)(=O)[C@H]1CCCN(Cc2c3ccccc3c(Cl)c3ccccc32)C1 ZINC000785979749 876381695 /nfs/dbraw/zinc/38/16/95/876381695.db2.gz SSKLUCJUHDHTCW-AWEZNQCLSA-N 0 1 388.920 3.899 20 5 GHBDMN Cc1n[nH]c(C(C)C)c1C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000786343793 876608276 /nfs/dbraw/zinc/60/82/76/876608276.db2.gz LKVDHRPAPWWZAR-JTQLQIEISA-N 0 1 394.815 3.587 20 5 GHBDMN O=Cc1ccc(OCC(=O)Nc2ccc3nc(C4CCC4)[nH]c3c2)c([N+](=O)[O-])c1 ZINC000109265768 876825692 /nfs/dbraw/zinc/82/56/92/876825692.db2.gz OWMUKTRTRZJTTF-UHFFFAOYSA-N 0 1 394.387 3.569 20 5 GHBDMN COc1cc(CN[C@H]2COC3(CCC3)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000850367909 876856557 /nfs/dbraw/zinc/85/65/57/876856557.db2.gz RSFLXQOSMUEHQN-GOSISDBHSA-N 0 1 398.459 3.984 20 5 GHBDMN CCCN(Cc1ccccc1Br)C(=O)c1n[nH]c(CC)c1[N+](=O)[O-] ZINC000443941062 876885705 /nfs/dbraw/zinc/88/57/05/876885705.db2.gz GZGULUKFRIANGX-UHFFFAOYSA-N 0 1 395.257 3.695 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@H](O)c1cccc(Br)c1 ZINC000850468006 876947222 /nfs/dbraw/zinc/94/72/22/876947222.db2.gz XBUBEEUXGGXNCI-BZNIZROVSA-N 0 1 395.253 3.750 20 5 GHBDMN O=C(OCc1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1CCCN1C1CCCC1 ZINC000786883846 877037280 /nfs/dbraw/zinc/03/72/80/877037280.db2.gz UDVFXICSVUMOBY-HNNXBMFYSA-N 0 1 397.269 3.808 20 5 GHBDMN C[C@H](NCC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2)c1ccc([N+](=O)[O-])cc1 ZINC000451105292 877402813 /nfs/dbraw/zinc/40/28/13/877402813.db2.gz SUPGQTSUQNHLLW-AWEZNQCLSA-N 0 1 397.431 3.926 20 5 GHBDMN NC(=O)c1ccc(CN[C@H](c2ccc(F)c(Cl)c2)C2CC2)c([N+](=O)[O-])c1 ZINC000451359289 877856259 /nfs/dbraw/zinc/85/62/59/877856259.db2.gz WJKQFQZWPANQBM-KRWDZBQOSA-N 0 1 377.803 3.727 20 5 GHBDMN O=C(NC[C@@H](c1ccco1)N1CCCCC1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470143520 878131080 /nfs/dbraw/zinc/13/10/80/878131080.db2.gz WUDVMEJNCPZXEX-INIZCTEOSA-N 0 1 376.388 3.676 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](c1ccc(Cl)cc1)N(C)C ZINC000530598185 878199586 /nfs/dbraw/zinc/19/95/86/878199586.db2.gz SUMNTAZVHCWISV-QGZVFWFLSA-N 0 1 376.844 3.981 20 5 GHBDMN CC(C)(C)N(CC(=O)Nc1ccc(F)cc1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776591449 878299361 /nfs/dbraw/zinc/29/93/61/878299361.db2.gz MIHCFHCRLKCNCR-SFHVURJKSA-N 0 1 389.427 3.507 20 5 GHBDMN CC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)c1 ZINC000180159971 878577409 /nfs/dbraw/zinc/57/74/09/878577409.db2.gz VAQKTXUYSILSSM-UHFFFAOYSA-N 0 1 382.825 3.868 20 5 GHBDMN CC[C@@H](N[C@H]1CCN(CCCc2ccccc2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000537946625 878604423 /nfs/dbraw/zinc/60/44/23/878604423.db2.gz MNJROSOGWVWQSG-RTWAWAEBSA-N 0 1 381.476 3.869 20 5 GHBDMN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ncc(-c3ccccc3)cn2)ccc1Cl ZINC000795684216 912378689 /nfs/dbraw/zinc/37/86/89/912378689.db2.gz DRTSNQNNIPGYMR-UHFFFAOYSA-N 0 1 390.808 3.506 20 5 GHBDMN CCOc1cccc([C@H](C)N[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)c1 ZINC000068839692 879089766 /nfs/dbraw/zinc/08/97/66/879089766.db2.gz MUZMOUQSSWZMPR-KBPBESRZSA-N 0 1 387.436 3.680 20 5 GHBDMN CCc1c(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)[nH]nc1-c1ccncc1 ZINC000068965558 879344023 /nfs/dbraw/zinc/34/40/23/879344023.db2.gz UDBQLWNUSGMBHA-UHFFFAOYSA-N 0 1 392.419 3.769 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)Nc1cccc(CN2CCC[C@H]2C(N)=O)c1 ZINC000538552272 879701534 /nfs/dbraw/zinc/70/15/34/879701534.db2.gz UKNVQHPQQJMUTD-YWZLYKJASA-N 0 1 382.464 3.526 20 5 GHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(Br)cc2Cl)s1 ZINC000063911465 879735576 /nfs/dbraw/zinc/73/55/76/879735576.db2.gz KVVZJXMFJFJISB-UHFFFAOYSA-N 0 1 397.659 3.873 20 5 GHBDMN C[C@@H]1[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CCN1Cc1ccccc1 ZINC000494028019 879838960 /nfs/dbraw/zinc/83/89/60/879838960.db2.gz OUEZBVSIJHPZFF-RDTXWAMCSA-N 0 1 379.416 3.734 20 5 GHBDMN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1cccc2c1CN(C(C)C)C2 ZINC000461432012 879847191 /nfs/dbraw/zinc/84/71/91/879847191.db2.gz SHTBPWXHYOXFNS-UHFFFAOYSA-N 0 1 389.477 3.736 20 5 GHBDMN Cc1[nH]nc(C(=O)N(Cc2cc(Br)ccc2F)C(C)C)c1[N+](=O)[O-] ZINC000609168352 879965217 /nfs/dbraw/zinc/96/52/17/879965217.db2.gz GCBYHXCBGINNHW-UHFFFAOYSA-N 0 1 399.220 3.579 20 5 GHBDMN Cc1ccc2c(=O)c(C(=O)N3CCC[C@@H](c4ccc([N+](=O)[O-])cc4)C3)c[n-]c2[nH+]1 ZINC000452869300 880133421 /nfs/dbraw/zinc/13/34/21/880133421.db2.gz IGVJFBMTVHNHHR-OAHLLOKOSA-N 0 1 392.415 3.572 20 5 GHBDMN COc1ccc(NC(=O)[C@H](C)N(C)CCCCc2ccccc2)c([N+](=O)[O-])c1 ZINC000520244854 880500386 /nfs/dbraw/zinc/50/03/86/880500386.db2.gz RDOURIPIVLMLBK-INIZCTEOSA-N 0 1 385.464 3.885 20 5 GHBDMN CCCCc1nc(C(=O)OCC)c(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])[nH]1 ZINC000792554648 881189570 /nfs/dbraw/zinc/18/95/70/881189570.db2.gz DEQSYACGCYRWJW-UHFFFAOYSA-N 0 1 394.815 3.743 20 5 GHBDMN O=[N+]([O-])c1ccc(OCCNCc2csc(-c3ccc4c(c3)OCO4)n2)cc1 ZINC000609466566 883229745 /nfs/dbraw/zinc/22/97/45/883229745.db2.gz MYOLDJCADWPPQF-UHFFFAOYSA-N 0 1 399.428 3.616 20 5 GHBDMN CCCc1[nH]nc(C(=O)N(C)C[C@H]2CCCO[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000609476877 883239814 /nfs/dbraw/zinc/23/98/14/883239814.db2.gz SFPFAWJZKVRHES-DNVCBOLYSA-N 0 1 386.452 3.510 20 5 GHBDMN CN(C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)[C@@H]1CN2CCC1CC2 ZINC000609532588 883321404 /nfs/dbraw/zinc/32/14/04/883321404.db2.gz MZILJFUVXRZVRX-HXUWFJFHSA-N 0 1 380.448 3.505 20 5 GHBDMN COc1ccc(CCCN(C)CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000918738991 884259946 /nfs/dbraw/zinc/25/99/46/884259946.db2.gz RXUBPBXYGMUXAK-UHFFFAOYSA-N 0 1 391.855 3.760 20 5 GHBDMN O=[N+]([O-])c1cccc2c1CCN(CCc1nc(-c3cccc(Cl)c3)no1)C2 ZINC000153328467 884597566 /nfs/dbraw/zinc/59/75/66/884597566.db2.gz UAEYCMFWLQVREY-UHFFFAOYSA-N 0 1 384.823 3.899 20 5 GHBDMN O=C(c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000272219613 884720588 /nfs/dbraw/zinc/72/05/88/884720588.db2.gz KJHUNSOKSSDBSG-MRXNPFEDSA-N 0 1 383.452 3.780 20 5 GHBDMN O=[N+]([O-])c1sc(CNC[C@H]2CCC3(CCC3)CO2)cc1Br ZINC001183822102 912861197 /nfs/dbraw/zinc/86/11/97/912861197.db2.gz CRSDRSPSROHXPV-SNVBAGLBSA-N 0 1 375.288 3.858 20 5 GHBDMN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc3nc(-c4ccc(F)cc4)[nH]c3c2)n1 ZINC000191538523 885331017 /nfs/dbraw/zinc/33/10/17/885331017.db2.gz NHCZYWBFENHTRZ-UHFFFAOYSA-N 0 1 394.366 3.746 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(OCC(F)(F)F)c1 ZINC000032600199 887448282 /nfs/dbraw/zinc/44/82/82/887448282.db2.gz CCOFDCFYLGBWHD-UHFFFAOYSA-N 0 1 390.339 3.645 20 5 GHBDMN CCC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC000794577015 887491079 /nfs/dbraw/zinc/49/10/79/887491079.db2.gz MZPZLWCZASEZJN-UHFFFAOYSA-N 0 1 382.825 3.950 20 5 GHBDMN CCN(CC)[C@H](CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000272541952 887661914 /nfs/dbraw/zinc/66/19/14/887661914.db2.gz PDVBSWNWLVLKFJ-UYAOXDASSA-N 0 1 397.479 3.683 20 5 GHBDMN CC1(C)CN(C(=S)Nc2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000729650796 887693036 /nfs/dbraw/zinc/69/30/36/887693036.db2.gz YHPVKBUHHKVTEJ-UHFFFAOYSA-N 0 1 384.505 3.888 20 5 GHBDMN CC(C)(C)OC(=O)NCC[C@@H]1CCCC[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000809723252 887748956 /nfs/dbraw/zinc/74/89/56/887748956.db2.gz DGTXFZPCHFKDBZ-HNNXBMFYSA-N 0 1 379.457 3.570 20 5 GHBDMN CCOc1ccc([C@H](C)NCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000809872616 887898080 /nfs/dbraw/zinc/89/80/80/887898080.db2.gz IXQJCTLILGHQQE-LBPRGKRZSA-N 0 1 377.828 3.936 20 5 GHBDMN O=C(Nc1ccc(OC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000796103543 913279083 /nfs/dbraw/zinc/27/90/83/913279083.db2.gz ANCCAKOMRCIDNC-UHFFFAOYSA-N 0 1 396.330 3.911 20 5 GHBDMN CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)c([N+](=O)[O-])c2)NC(=S)N1 ZINC000916191356 888827185 /nfs/dbraw/zinc/82/71/85/888827185.db2.gz ZSKRWFNUUFSELS-QGZVFWFLSA-N 0 1 391.493 3.854 20 5 GHBDMN CC1(C)C[C@@H](NCc2ccncc2OC[C@H]2CCOC2)c2cc([N+](=O)[O-])ccc21 ZINC000287461740 913353115 /nfs/dbraw/zinc/35/31/15/913353115.db2.gz VUOGNBMFKYTGDL-MGPUTAFESA-N 0 1 397.475 3.917 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2cnn(CN3CC[C@@]4(C3)CCc3ccccc3O4)c2)c1 ZINC000811782069 889957629 /nfs/dbraw/zinc/95/76/29/889957629.db2.gz MGIWNKYFANHUHW-JOCHJYFZSA-N 0 1 390.443 3.886 20 5 GHBDMN Cc1c(Cl)nccc1NS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000811835863 890021215 /nfs/dbraw/zinc/02/12/15/890021215.db2.gz ROKIUZGGSLXDFK-UHFFFAOYSA-N 0 1 376.221 3.714 20 5 GHBDMN Cc1cc(F)cc(C(=O)Nc2nc3cccc(Br)c3[nH]2)c1[N+](=O)[O-] ZINC001133388170 890829763 /nfs/dbraw/zinc/82/97/63/890829763.db2.gz QYDABSFIXJSMPA-UHFFFAOYSA-N 0 1 393.172 3.933 20 5 GHBDMN 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/nfs/dbraw/zinc/50/93/41/898509341.db2.gz PCERXRUUUITOOO-UHFFFAOYSA-N 0 1 388.811 3.518 20 5 GHBDMN CN(CCc1ccccc1[N+](=O)[O-])Cc1cnc2ccc(Br)cn12 ZINC000569491212 898710140 /nfs/dbraw/zinc/71/01/40/898710140.db2.gz PQHNRBWHZIOSHT-UHFFFAOYSA-N 0 1 389.253 3.680 20 5 GHBDMN O=[N+]([O-])c1ccc2c(c1)CN(C[C@H](O)Cc1ccccc1C(F)(F)F)CC2 ZINC000155445281 898787098 /nfs/dbraw/zinc/78/70/98/898787098.db2.gz MPJJWWQFCLVYCU-QGZVFWFLSA-N 0 1 380.366 3.575 20 5 GHBDMN CCN(CC)[C@@H](CNC(=O)c1c(F)c(C)cc([N+](=O)[O-])c1F)c1ccco1 ZINC000824244462 899489352 /nfs/dbraw/zinc/48/93/52/899489352.db2.gz ICYOHYQCBXRJIB-ZDUSSCGKSA-N 0 1 381.379 3.587 20 5 GHBDMN COc1ccc(C[C@@H]2CCCN([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000570984053 899701942 /nfs/dbraw/zinc/70/19/42/899701942.db2.gz BDZXKHNHMKSRRI-WMZOPIPTSA-N 0 1 397.475 3.885 20 5 GHBDMN Cc1nc(-c2ccccc2)[nH]c1C(=O)O[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000778794488 899895875 /nfs/dbraw/zinc/89/58/75/899895875.db2.gz LMNXOMRRYTZVLV-GOSISDBHSA-N 0 1 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ZINC001173191136 906273208 /nfs/dbraw/zinc/27/32/08/906273208.db2.gz ARKNNTBJHVFDBO-GJZGRUSLSA-N 0 1 389.427 3.530 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CC[C@H](Oc3cccc(F)c3)C2)c1F ZINC001173192027 906275411 /nfs/dbraw/zinc/27/54/11/906275411.db2.gz HIUQLWLUHLIMMM-BBRMVZONSA-N 0 1 392.402 3.966 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CCc3ncc(Cl)cc3C2)c1F ZINC001173193108 906276930 /nfs/dbraw/zinc/27/69/30/906276930.db2.gz QAFSRGSOELQWMW-LLVKDONJSA-N 0 1 379.819 3.780 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CCc3ncc(Cl)cc3C2)c1F ZINC001173193109 906277883 /nfs/dbraw/zinc/27/78/83/906277883.db2.gz QAFSRGSOELQWMW-NSHDSACASA-N 0 1 379.819 3.780 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CC[C@H](Oc3ccncc3C)C2)c1F ZINC001173193943 906279504 /nfs/dbraw/zinc/27/95/04/906279504.db2.gz SDIYZRSURDDKEH-CABCVRRESA-N 0 1 389.427 3.530 20 5 GHBDMN CC(=O)Nc1cc(Cl)ccc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000191796206 907249045 /nfs/dbraw/zinc/24/90/45/907249045.db2.gz JIPWGRXUWLKDNA-UHFFFAOYSA-N 0 1 397.840 3.624 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000192019604 907362978 /nfs/dbraw/zinc/36/29/78/907362978.db2.gz GNNBLKCULQQSCT-MJGOQNOKSA-N 0 1 389.839 3.615 20 5 GHBDMN CC[C@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)c1nc(C(F)(F)F)cs1 ZINC000185982402 907863083 /nfs/dbraw/zinc/86/30/83/907863083.db2.gz VMMAAYIVUCIGGC-RYUDHWBXSA-N 0 1 375.372 3.844 20 5 GHBDMN CC(C)c1ccc(OCCNC(=O)CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC001176036871 907896270 /nfs/dbraw/zinc/89/62/70/907896270.db2.gz PVMLUOQDMNMROS-INIZCTEOSA-N 0 1 385.464 3.564 20 5 GHBDMN O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@H](O)COc2cccc(F)c2)o1 ZINC001177479272 908615733 /nfs/dbraw/zinc/61/57/33/908615733.db2.gz MSCCKPRCDLUSQZ-HNNXBMFYSA-N 0 1 386.379 3.523 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2ccc(CNC[C@@H]3CS(=O)(=O)c4ccccc43)o2)c1 ZINC001178783555 909226565 /nfs/dbraw/zinc/22/65/65/909226565.db2.gz SUNGSTKWRFDGIR-OAHLLOKOSA-N 0 1 398.440 3.516 20 5 GHBDMN CCOc1ccc([C@@H](C)N[C@H]2CCN(C3CCCCC3)C2=O)cc1[N+](=O)[O-] ZINC000090464546 910361192 /nfs/dbraw/zinc/36/11/92/910361192.db2.gz GXRHUVKXSOMPIT-PBHICJAKSA-N 0 1 375.469 3.578 20 5 GHBDMN C[C@@H](NCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])[C@H]1OCCc2sccc21 ZINC000795482850 910620885 /nfs/dbraw/zinc/62/08/85/910620885.db2.gz SNIOBATZCWZSJI-BMLIUANNSA-N 0 1 395.868 3.540 20 5 GHBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000092786115 911801661 /nfs/dbraw/zinc/80/16/61/911801661.db2.gz PQDCKCQTFOLQBC-CQSZACIVSA-N 0 1 398.394 3.869 20 5 GHBDMN O=C([O-])[C@@H]1CSCC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000901891826 921705693 /nfs/dbraw/zinc/70/56/93/921705693.db2.gz QLVJUKZXABKTTC-LBPRGKRZSA-N 0 1 378.475 3.573 20 5 GHBDMN CC[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1OC ZINC000775065443 914919253 /nfs/dbraw/zinc/91/92/53/914919253.db2.gz NSJPWIXXPOSYHC-OAHLLOKOSA-N 0 1 377.828 3.936 20 5 GHBDMN CC[C@@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1OC ZINC000775088503 915059150 /nfs/dbraw/zinc/05/91/50/915059150.db2.gz QLOBRFPVYRGEHR-CQSZACIVSA-N 0 1 377.828 3.936 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1CN[C@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000292580667 915750219 /nfs/dbraw/zinc/75/02/19/915750219.db2.gz CIKLXJWPRWSRHC-CQSZACIVSA-N 0 1 385.420 3.801 20 5 GHBDMN O=[N+]([O-])c1ccc(NS(=O)(=O)C2=Cc3ccccc3OCC2)cc1Cl ZINC000775204368 916255179 /nfs/dbraw/zinc/25/51/79/916255179.db2.gz QHIXWKWSZYGBBU-UHFFFAOYSA-N 0 1 380.809 3.814 20 5 GHBDMN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCc1cccc(C(F)(F)F)n1 ZINC000294759374 916963478 /nfs/dbraw/zinc/96/34/78/916963478.db2.gz IXPZAEYTNBTMBT-NSHDSACASA-N 0 1 382.342 3.516 20 5 GHBDMN CC[N@H+](CC(=O)[O-])Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000901426881 921094762 /nfs/dbraw/zinc/09/47/62/921094762.db2.gz QVKMLTWLTYYJGR-UHFFFAOYSA-N 0 1 383.198 3.524 20 5 GHBDMN CC[N@@H+](CC(=O)[O-])Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000901426881 921094769 /nfs/dbraw/zinc/09/47/69/921094769.db2.gz QVKMLTWLTYYJGR-UHFFFAOYSA-N 0 1 383.198 3.524 20 5 GHBDMN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000801524065 921095046 /nfs/dbraw/zinc/09/50/46/921095046.db2.gz NYHWTTBSRPLYIP-HIFRSBDPSA-N 0 1 381.448 3.859 20 5 GHBDMN C[C@H](c1ccccc1)N1CC[C@@](F)(COC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000802146676 921861823 /nfs/dbraw/zinc/86/18/23/921861823.db2.gz ORIANTKEBFJFFF-IERDGZPVSA-N 0 1 386.423 3.856 20 5 GHBDMN CCCCCCNC(=O)[C@@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000748316941 923569210 /nfs/dbraw/zinc/56/92/10/923569210.db2.gz JEVKVNNIYTYSOG-MRXNPFEDSA-N 0 1 377.485 3.512 20 5 GHBDMN Cc1ccc(-c2n[nH]c(SCCC(=O)Nc3ccccc3[N+](=O)[O-])n2)cc1 ZINC000409880461 925093739 /nfs/dbraw/zinc/09/37/39/925093739.db2.gz QWIKCAIUFXEMBT-UHFFFAOYSA-N 0 1 383.433 3.809 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2nc(CN[C@H](c3nnc[nH]3)c3ccccc3)cs2)c1 ZINC000372928785 925775280 /nfs/dbraw/zinc/77/52/80/925775280.db2.gz XUPKPMYHFKLBBN-KRWDZBQOSA-N 0 1 392.444 3.716 20 5 GHBDMN COc1ccc(NC(=O)CCNC(C)(C)c2nc(C)c(C)s2)c([N+](=O)[O-])c1 ZINC000411382572 926345445 /nfs/dbraw/zinc/34/54/45/926345445.db2.gz FXTKGXYUMITSNO-UHFFFAOYSA-N 0 1 392.481 3.530 20 5 GHBDMN COc1ccc(CN(C2CC2)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000749479681 927127468 /nfs/dbraw/zinc/12/74/68/927127468.db2.gz HJRKNHVSCIWEGB-MRXNPFEDSA-N 0 1 391.468 3.577 20 5 GHBDMN CC[C@@H](CNC(=O)c1cccc(Cl)c1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000749909082 927343544 /nfs/dbraw/zinc/34/35/44/927343544.db2.gz VLZDSPVTOKEMBA-INIZCTEOSA-N 0 1 387.867 3.815 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2noc(CN3CCCC[C@@H]3[C@H](O)c3ccccc3)n2)c1 ZINC000750608419 927746394 /nfs/dbraw/zinc/74/63/94/927746394.db2.gz GMYJDCNABVPLSH-UYAOXDASSA-N 0 1 394.431 3.733 20 5 GHBDMN CC(C)Oc1ccc(NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c(F)c1 ZINC000751276735 928109618 /nfs/dbraw/zinc/10/96/18/928109618.db2.gz XINOMWKZXCAEPM-UHFFFAOYSA-N 0 1 388.804 3.975 20 5 GHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCc2ccccc2-c2ccccc2)cc1 ZINC000757955044 929869475 /nfs/dbraw/zinc/86/94/75/929869475.db2.gz BNVOBACBVXYJKQ-UHFFFAOYSA-N 0 1 396.468 3.825 20 5 GHBDMN O=C(N[C@@H]1CC2(CCC2)Oc2ccccc21)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000758333458 930012952 /nfs/dbraw/zinc/01/29/52/930012952.db2.gz KQALBDUXXMBFQF-MRXNPFEDSA-N 0 1 378.388 3.647 20 5 GHBDMN Cc1cc(F)cc(C(=O)N2CCN(Cc3ccccc3)CC[C@@H]2C)c1[N+](=O)[O-] ZINC000758508236 930065272 /nfs/dbraw/zinc/06/52/72/930065272.db2.gz MVHARTLUIUDRRA-INIZCTEOSA-N 0 1 385.439 3.779 20 5 GHBDMN CN(C)Cc1cc(-c2noc(CCNc3ccccc3[N+](=O)[O-])n2)ccc1F ZINC000546456784 930180677 /nfs/dbraw/zinc/18/06/77/930180677.db2.gz HBOKHXHGXXEZTJ-UHFFFAOYSA-N 0 1 385.399 3.500 20 5 GHBDMN COc1ccc(CN(CCO)C/C(C)=C\c2cccc([N+](=O)[O-])c2)c(OC)c1 ZINC000470169936 930428244 /nfs/dbraw/zinc/42/82/44/930428244.db2.gz LZQDPVKOFDGOQS-WJDWOHSUSA-N 0 1 386.448 3.510 20 5 GHBDMN CC(C)(C)OC(=O)N1CCc2c1cccc2NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000780626001 930562728 /nfs/dbraw/zinc/56/27/28/930562728.db2.gz KEEPAJTYHVZBMN-UHFFFAOYSA-N 0 1 399.403 3.850 20 5 GHBDMN Cc1cc(NCc2ccc(C(=O)N3CCCC3)cc2)c2cc([N+](=O)[O-])ccc2n1 ZINC000782948338 931372665 /nfs/dbraw/zinc/37/26/65/931372665.db2.gz QUZZNYITTOJZLZ-UHFFFAOYSA-N 0 1 390.443 3.721 20 5 GHBDMN Cc1ccc2nc(NC(=O)c3cc(OCC(F)(F)F)ccc3[N+](=O)[O-])[nH]c2c1 ZINC000557433354 931423231 /nfs/dbraw/zinc/42/32/31/931423231.db2.gz XTKMZLYFFPQTDG-UHFFFAOYSA-N 0 1 394.309 3.973 20 5 GHBDMN O=C([C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1CCc2nc[nH]c2[C@H]1c1ccccc1 ZINC000827971834 931875133 /nfs/dbraw/zinc/87/51/33/931875133.db2.gz JBJRFJQJYLBFMO-DBXWQHBBSA-N 0 1 388.427 3.596 20 5 GHBDMN CC(C)c1noc(Cc2ccc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)cc2)n1 ZINC000558905289 932305490 /nfs/dbraw/zinc/30/54/90/932305490.db2.gz FCOLZGHJZZKORZ-UHFFFAOYSA-N 0 1 382.376 3.650 20 5 GHBDMN O=[N+]([O-])c1cc(F)c(S(=O)(=O)Nc2cccc(Cl)c2F)cc1Cl ZINC000798246478 932575268 /nfs/dbraw/zinc/57/52/68/932575268.db2.gz FSQRANPKMNVQRV-UHFFFAOYSA-N 0 1 383.159 3.981 20 5 GHBDMN O=[N+]([O-])c1cc(F)c(S(=O)(=O)Nc2ccc(F)c(F)c2F)cc1Cl ZINC000798246452 932575398 /nfs/dbraw/zinc/57/53/98/932575398.db2.gz DFHSLMUWRSBERP-UHFFFAOYSA-N 0 1 384.694 3.605 20 5 GHBDMN CC(C)(C)OC(=O)NCC[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000799361224 932971826 /nfs/dbraw/zinc/97/18/26/932971826.db2.gz XJPMOTIXJDYDER-CQSZACIVSA-N 0 1 381.448 3.861 20 5 GHBDMN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(Oc3cccc(F)c3)nc2)c1 ZINC001115864726 933225749 /nfs/dbraw/zinc/22/57/49/933225749.db2.gz CBPLAKRJBGMUMD-UHFFFAOYSA-N 0 1 389.364 3.722 20 5 GHBDMN CCOc1ccc2c(c1)CN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)CC2 ZINC001116443073 933561408 /nfs/dbraw/zinc/56/14/08/933561408.db2.gz DLQHZNSWWAMGQR-UHFFFAOYSA-N 0 1 392.459 3.952 20 5 GHBDMN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Nc1cccnc1-c1ccccc1 ZINC000777937545 934232532 /nfs/dbraw/zinc/23/25/32/934232532.db2.gz UAUYDOOCXYCWCU-UHFFFAOYSA-N 0 1 387.392 3.905 20 5 GHBDMN O=C(C=Cc1ccc([N+](=O)[O-])cc1)Nc1nc(-c2ccc3ccccc3n2)n[nH]1 ZINC000820139822 1014954028 /nfs/dbraw/zinc/95/40/28/1014954028.db2.gz RLTLRKPBDSDXLF-GHXNOFRVSA-N 0 1 386.371 3.580 20 5 GHBDMN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(-c2nnc[nH]2)cc1F ZINC000468196658 1015394270 /nfs/dbraw/zinc/39/42/70/1015394270.db2.gz NBIAMWPITHRXIV-JTQLQIEISA-N 0 1 387.396 3.638 20 5 GHBDMN Cc1cc(Cc2noc([C@H]3CCCN(Cc4cccnc4)C3)n2)ccc1[N+](=O)[O-] ZINC000545077121 1015489420 /nfs/dbraw/zinc/48/94/20/1015489420.db2.gz PVBMHIVPGLOPRB-SFHVURJKSA-N 0 1 393.447 3.652 20 5 GHBDMN O=[N+]([O-])c1ccc2c(-c3nc(Cc4nnc(-c5ccccc5)[nH]4)no3)c[nH]c2c1 ZINC000545088297 1015514429 /nfs/dbraw/zinc/51/44/29/1015514429.db2.gz NFUGDNIDWMHKKR-UHFFFAOYSA-N 0 1 387.359 3.502 20 5 GHBDMN COc1cc(S(=O)(=O)Nc2ccc(OC3CCCC3)cc2)ccc1[N+](=O)[O-] ZINC000468944390 1016256314 /nfs/dbraw/zinc/25/63/14/1016256314.db2.gz MCNRVAKFZDJRGW-UHFFFAOYSA-N 0 1 392.433 3.726 20 5 GHBDMN COc1cc(S(=O)(=O)Nc2ccc(C(=O)C(C)(C)C)cc2)ccc1[N+](=O)[O-] ZINC000469123387 1016522032 /nfs/dbraw/zinc/52/20/32/1016522032.db2.gz XPDPAMBHMLQXOQ-UHFFFAOYSA-N 0 1 392.433 3.633 20 5 GHBDMN COc1cccc(-c2noc(-c3cc(-c4cccc([N+](=O)[O-])c4)n[nH]3)n2)c1OC ZINC001212995213 1032278526 /nfs/dbraw/zinc/27/85/26/1032278526.db2.gz ONDNQMIZELNPIS-UHFFFAOYSA-N 0 1 393.359 3.719 20 5 GHBDMN COC(=O)[C@H]1C[C@H](Oc2ccc3c(c2)oc2c3c(=O)oc3cc(O)ccc23)C1 ZINC001227516297 1032449025 /nfs/dbraw/zinc/44/90/25/1032449025.db2.gz BOGFBNXGSNZFFU-MJHDQNEOSA-N 0 1 380.352 3.728 20 5 GHBDMN COc1ccc(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1C(C)(C)C ZINC001204305498 1032747181 /nfs/dbraw/zinc/74/71/81/1032747181.db2.gz CGKDMIZCYVGKRF-INIZCTEOSA-N 0 1 384.480 3.982 20 5 GHBDMN COc1ccc(CN2CCCC[C@@H]2CN(C)c2ncc([N+](=O)[O-])cc2F)cc1 ZINC001156294603 1032964108 /nfs/dbraw/zinc/96/41/08/1032964108.db2.gz RCSAYHGKBVCLSU-MRXNPFEDSA-N 0 1 388.443 3.628 20 5 GHBDMN COc1cccc([C@H](CNC(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])N(C)C)c1 ZINC000836251027 1022771609 /nfs/dbraw/zinc/77/16/09/1022771609.db2.gz AZSSWRDJQIKYFW-SFHVURJKSA-N 0 1 391.855 3.598 20 5 GHBDMN CCOc1cc(CN2CCC(C)(NC(=O)OC(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000755071851 1023060959 /nfs/dbraw/zinc/06/09/59/1023060959.db2.gz YCGJOJBJTCRUHE-UHFFFAOYSA-N 0 1 393.484 3.873 20 5 GHBDMN Cc1cc([N+](=O)[O-])c(C)cc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000755106148 1023077280 /nfs/dbraw/zinc/07/72/80/1023077280.db2.gz GIMYERCRZCDVKK-UHFFFAOYSA-N 0 1 379.394 3.537 20 5 GHBDMN COC(=O)c1cc([N+](=O)[O-])c(O[C@H]2CC=C[C@@H]2COCc2ccccc2)cc1O ZINC001228808924 1033111710 /nfs/dbraw/zinc/11/17/10/1033111710.db2.gz FLEMXMSGXDGODE-BEFAXECRSA-N 0 1 399.399 3.627 20 5 GHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[C@H](c2cccc(Br)c2)C1 ZINC001141122906 1023545335 /nfs/dbraw/zinc/54/53/35/1023545335.db2.gz CTJQJVZFHSUAQY-LBPRGKRZSA-N 0 1 391.221 3.693 20 5 GHBDMN Cc1c(Br)c(N[C@H](C)CN2C[C@@H](C)C[C@H](C)C2)ncc1[N+](=O)[O-] ZINC001162243638 1025688991 /nfs/dbraw/zinc/68/89/91/1025688991.db2.gz COIMPDPZSNKAGZ-SDDRHHMPSA-N 0 1 385.306 3.839 20 5 GHBDMN COc1cc(CN(C)C[C@H](O)c2ccccc2Br)ccc1[N+](=O)[O-] ZINC000832680115 1025830398 /nfs/dbraw/zinc/83/03/98/1025830398.db2.gz NRXPMBAOJZMHPY-INIZCTEOSA-N 0 1 395.253 3.531 20 5 GHBDMN CN1CCN(c2cc3ncnc(Cl)c3cc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC001163668984 1026273781 /nfs/dbraw/zinc/27/37/81/1026273781.db2.gz HKLOFOKAUGNPIQ-SFHVURJKSA-N 0 1 383.839 3.685 20 5 GHBDMN O=C([O-])c1ccc(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)cc1[N+](=O)[O-] ZINC001164499472 1026535195 /nfs/dbraw/zinc/53/51/95/1026535195.db2.gz QYWNGRRRPBVHHE-ATZDWAIDSA-N 0 1 381.432 3.616 20 5 GHBDMN CC(C)(C)N1CC[C@@H]1CNC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC001166494296 1027013558 /nfs/dbraw/zinc/01/35/58/1027013558.db2.gz TXKCLBZAQCGMHY-MRVPVSSYSA-N 0 1 378.231 3.643 20 5 GHBDMN CC[C@H](NC(=O)NC[C@H](c1cccs1)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000175546085 1028139664 /nfs/dbraw/zinc/13/96/64/1028139664.db2.gz BYQMASAYZSNNNJ-JKSUJKDBSA-N 0 1 376.482 3.710 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)cnc1-c1nc(-c2ncccc2/C=C/N2CCCC2)no1 ZINC001214050620 1028524004 /nfs/dbraw/zinc/52/40/04/1028524004.db2.gz VTQPCMIRJCQUNJ-WEVVVXLNSA-N 0 1 398.810 3.822 20 5 GHBDMN Cc1cc(-c2nc(-c3ccccc3N3CCN(C)CC3)no2)cc(C)c1[N+](=O)[O-] ZINC001215404267 1029190975 /nfs/dbraw/zinc/19/09/75/1029190975.db2.gz KOKSXHBCFNOIPE-UHFFFAOYSA-N 0 1 393.447 3.680 20 5 GHBDMN COC(=O)C1=C[C@H](O[C@H](C)c2cccc([N+](=O)[O-])c2)CN(Cc2ccccc2)C1 ZINC001223427338 1030569443 /nfs/dbraw/zinc/56/94/43/1030569443.db2.gz LKPJSHFCGWVWEK-IERDGZPVSA-N 0 1 396.443 3.656 20 5 GHBDMN CCOC(=O)c1ccc(CO[C@@H]2CC[N@H+]([C@H](C)c3ccccn3)C2)c([N+](=O)[O-])c1 ZINC001223960884 1030829876 /nfs/dbraw/zinc/82/98/76/1030829876.db2.gz NWENIEFBUCEZHT-CRAIPNDOSA-N 0 1 399.447 3.519 20 5 GHBDMN CCOC(=O)c1ccc(CO[C@@H]2CCN([C@H](C)c3ccccn3)C2)c([N+](=O)[O-])c1 ZINC001223960884 1030829900 /nfs/dbraw/zinc/82/99/00/1030829900.db2.gz NWENIEFBUCEZHT-CRAIPNDOSA-N 0 1 399.447 3.519 20 5 GHBDMN COC(=O)C1=C[C@@H](O[C@@H](C)c2ccc([N+](=O)[O-])cc2)CN(Cc2ccccc2)C1 ZINC001224023027 1030853407 /nfs/dbraw/zinc/85/34/07/1030853407.db2.gz TWRSJEWFLMQDJT-HRAATJIYSA-N 0 1 396.443 3.656 20 5 GHBDMN CC(C)=CCc1c(O)cc2oc3ccc(O)cc3c(=O)c2c1O[C@H]1C[C@H](O)C1 ZINC001218367516 1030910994 /nfs/dbraw/zinc/91/09/94/1030910994.db2.gz WTTABEMVOAFKNG-HDJSIYSDSA-N 0 1 382.412 3.768 20 5 GHBDMN C[C@@H](NCc1cnc2ccc(Br)cn12)c1ccc([N+](=O)[O-])cc1 ZINC001461749792 1069723136 /nfs/dbraw/zinc/72/31/36/1069723136.db2.gz FMXISQGGFJUBRQ-LLVKDONJSA-N 0 1 375.226 3.856 20 5 GHBDMN O=[N+]([O-])c1ccc(O)cc1O[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC001225490303 1031437042 /nfs/dbraw/zinc/43/70/42/1031437042.db2.gz GVTCMQWSISBMCB-AWEZNQCLSA-N 0 1 379.210 3.721 20 5 GHBDMN CC(C)(C)OC(=O)N1CC2(C1)CCC(Oc1cc(O)ccc1[N+](=O)[O-])CC2 ZINC001225491282 1031439170 /nfs/dbraw/zinc/43/91/70/1031439170.db2.gz NYQQXAWRHHIRMT-UHFFFAOYSA-N 0 1 378.425 3.859 20 5 GHBDMN COc1ncc(Cl)cc1-c1noc(-c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)n1 ZINC001213008489 1033581633 /nfs/dbraw/zinc/58/16/33/1033581633.db2.gz NOMNYQYCLIOQLX-UHFFFAOYSA-N 0 1 398.766 3.759 20 5 GHBDMN CCOC(=O)[C@H](Oc1ccc2c(c1)oc(=O)c1cc(O)ccc21)C(F)(F)F ZINC001229798299 1033722796 /nfs/dbraw/zinc/72/27/96/1033722796.db2.gz UPGOMVXMGRWQDI-HNNXBMFYSA-N 0 1 382.290 3.525 20 5 GHBDMN Nc1cccc(CN2CCN(c3cc(Cl)nc4ccc([N+](=O)[O-])cc43)CC2)c1 ZINC001158481633 1034100322 /nfs/dbraw/zinc/10/03/22/1034100322.db2.gz JRAJEASGUQGPEP-UHFFFAOYSA-N 0 1 397.866 3.701 20 5 GHBDMN COc1cc(O[C@H]2CCN(C(C)C)C2)c2c(c1)oc1ccc(OC)c(O)c1c2=O ZINC001230525715 1034102920 /nfs/dbraw/zinc/10/29/20/1034102920.db2.gz ILICHTQWQMMVDY-ZDUSSCGKSA-N 0 1 399.443 3.531 20 5 GHBDMN CC(C)(C)OC(=O)N1CCC[C@@H](F)[C@H](Oc2cc3[nH]ncc3cc2[N+](=O)[O-])C1 ZINC001230594248 1034138623 /nfs/dbraw/zinc/13/86/23/1034138623.db2.gz DWNSKXUNEAPLMB-MLGOLLRUSA-N 0 1 394.403 3.588 20 5 GHBDMN C[C@H]1CN(C(=O)OC(C)(C)C)CCC[C@H]1Oc1cc2[nH]ncc2cc1[N+](=O)[O-] ZINC001230595700 1034139944 /nfs/dbraw/zinc/13/99/44/1034139944.db2.gz MWPPUDYJVZUELP-BLLLJJGKSA-N 0 1 390.440 3.886 20 5 GHBDMN 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COc1ccc(CN(Cc2ccc([N+](=O)[O-])cc2OC)[C@H](CO)C(C)C)cc1 ZINC000430217273 835201791 /nfs/dbraw/zinc/20/17/91/835201791.db2.gz KBQBTQOJSWKFPX-HXUWFJFHSA-N 0 1 388.464 3.631 20 5 GHBDMN Cc1cc(S(=O)(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)ccc1[N+](=O)[O-] ZINC000179533638 835868504 /nfs/dbraw/zinc/86/85/04/835868504.db2.gz IFSFWGUQBNTZPV-UHFFFAOYSA-N 0 1 382.348 3.518 20 5 GHBDMN COc1cc(CN2CCCC[C@H](SC)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000134612797 835870116 /nfs/dbraw/zinc/87/01/16/835870116.db2.gz UPISESQNZPGBOG-LBPRGKRZSA-N 0 1 376.425 3.922 20 5 GHBDMN C[C@@H](c1ccc(F)cc1)N1CC[C@H](N(C)CCc2cccc([N+](=O)[O-])c2)C1=O ZINC000549686552 844114860 /nfs/dbraw/zinc/11/48/60/844114860.db2.gz HQZSAMDCQVCTAL-YWZLYKJASA-N 0 1 385.439 3.570 20 5 GHBDMN COc1ccc2c(c1)CCN([C@H](C)c1nnc(-c3ccc([N+](=O)[O-])cc3)o1)CC2 ZINC000375833782 836032573 /nfs/dbraw/zinc/03/25/73/836032573.db2.gz VDPAUPBXEKOQID-CQSZACIVSA-N 0 1 394.431 3.815 20 5 GHBDMN Cc1ccc2nc([C@H]3CCCN(C(=O)c4ccc(F)cc4[N+](=O)[O-])C3)[nH]c2c1 ZINC000136539212 836114364 /nfs/dbraw/zinc/11/43/64/836114364.db2.gz JTCBNIXLGDNEIE-ZDUSSCGKSA-N 0 1 382.395 3.938 20 5 GHBDMN Cc1ccc([C@H](C)NC(=O)NC[C@@H](c2cccs2)N(C)C)cc1[N+](=O)[O-] ZINC000175545273 836659938 /nfs/dbraw/zinc/65/99/38/836659938.db2.gz YNBZMGITNOOXAS-BBRMVZONSA-N 0 1 376.482 3.628 20 5 GHBDMN COc1ccc(C[C@@H]2CCCN(C(=O)c3[nH]nc4ccc([N+](=O)[O-])cc43)C2)cc1 ZINC000579896208 836885583 /nfs/dbraw/zinc/88/55/83/836885583.db2.gz CSBVPWNKPXMRCU-HNNXBMFYSA-N 0 1 394.431 3.575 20 5 GHBDMN CCOc1ccc([C@@H](C)N[C@H]2CCN(c3ccc(F)cc3)C2=O)cc1[N+](=O)[O-] ZINC000414303788 836988458 /nfs/dbraw/zinc/98/84/58/836988458.db2.gz CDYADEXSPUDKKF-DYVFJYSZSA-N 0 1 387.411 3.589 20 5 GHBDMN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180423876 837250569 /nfs/dbraw/zinc/25/05/69/837250569.db2.gz VYGFSOMGCANLDV-CQSZACIVSA-N 0 1 393.447 3.687 20 5 GHBDMN Cc1nc2c(n1[C@@H]1CCN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])C1)CCCC2 ZINC000275566333 837260498 /nfs/dbraw/zinc/26/04/98/837260498.db2.gz HWPMLBRGHHCBOW-CQSZACIVSA-N 0 1 388.855 3.719 20 5 GHBDMN COc1ccc(CN[C@H](C)c2cnn(C)c2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000610273034 837332397 /nfs/dbraw/zinc/33/23/97/837332397.db2.gz SREHYSHUKWSGID-OAHLLOKOSA-N 0 1 396.447 3.767 20 5 GHBDMN C[C@@H](N[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000189782411 838402796 /nfs/dbraw/zinc/40/27/96/838402796.db2.gz VJPNRNFDEHQBNW-BFUOFWGJSA-N 0 1 389.402 3.715 20 5 GHBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000610390240 838949784 /nfs/dbraw/zinc/94/97/84/838949784.db2.gz WFNKBFYJRGWBEG-MRXNPFEDSA-N 0 1 379.460 3.957 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc(-c2ccccc2F)n[nH]1 ZINC000005676650 839275932 /nfs/dbraw/zinc/27/59/32/839275932.db2.gz DHRAKCZAYLKVHN-UHFFFAOYSA-N 0 1 387.396 3.558 20 5 GHBDMN COc1ccnc2c(NS(=O)(=O)c3cc([N+](=O)[O-])c(C)cc3C)cccc12 ZINC000580511442 839715615 /nfs/dbraw/zinc/71/56/15/839715615.db2.gz JQWXOPPHRUFDSJ-UHFFFAOYSA-N 0 1 387.417 3.569 20 5 GHBDMN Cc1ccc(F)cc1S(=O)(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000579815392 840079895 /nfs/dbraw/zinc/07/98/95/840079895.db2.gz VNEJPVUZXSAQRP-UHFFFAOYSA-N 0 1 389.202 3.606 20 5 GHBDMN COc1cc2c(c(OC)c1OC)CCN([C@@H](C)c1ccccc1[N+](=O)[O-])CC2 ZINC000432035533 840561606 /nfs/dbraw/zinc/56/16/06/840561606.db2.gz VHVQWDIKXXBNKG-AWEZNQCLSA-N 0 1 386.448 3.782 20 5 GHBDMN CC[C@H](CS(=O)(=O)c1ccccc1)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181658801 840628621 /nfs/dbraw/zinc/62/86/21/840628621.db2.gz DSFPYHZQNYLOTK-NVXWUHKLSA-N 0 1 376.478 3.806 20 5 GHBDMN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1ccncc1OC[C@@H]1CCOC1)CCCC2 ZINC000417347800 840756292 /nfs/dbraw/zinc/75/62/92/840756292.db2.gz HYLXNPYFJIFLOU-IERDGZPVSA-N 0 1 397.475 3.962 20 5 GHBDMN O=[N+]([O-])c1ccc2c(c1)[C@H](NCc1ccncc1OC[C@H]1CCOC1)CCCC2 ZINC000417347798 840756557 /nfs/dbraw/zinc/75/65/57/840756557.db2.gz HYLXNPYFJIFLOU-HRAATJIYSA-N 0 1 397.475 3.962 20 5 GHBDMN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1ccncc1OC[C@H]1CCOC1)CCCC2 ZINC000417347802 840756928 /nfs/dbraw/zinc/75/69/28/840756928.db2.gz HYLXNPYFJIFLOU-KKSFZXQISA-N 0 1 397.475 3.962 20 5 GHBDMN Cc1c(CN(Cc2ccccc2)[C@H](C)CN2CCOCC2)cccc1[N+](=O)[O-] ZINC000111057236 840993314 /nfs/dbraw/zinc/99/33/14/840993314.db2.gz PRRGXZKRFJSGPN-GOSISDBHSA-N 0 1 383.492 3.626 20 5 GHBDMN CC[C@@H](NCCS(=O)(=O)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000177970152 841028707 /nfs/dbraw/zinc/02/87/07/841028707.db2.gz OQOVVYCTDONJDH-QGZVFWFLSA-N 0 1 382.869 3.763 20 5 GHBDMN C[C@H](SCc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000131099123 861194827 /nfs/dbraw/zinc/19/48/27/861194827.db2.gz OOIGZXLTSGCVOG-LPHOPBHVSA-N 0 1 399.516 3.607 20 5 GHBDMN CCCc1[nH]nc(C(=O)N2CC=C(c3c[nH]c4cc(C)ccc43)CC2)c1[N+](=O)[O-] ZINC000609476691 842084736 /nfs/dbraw/zinc/08/47/36/842084736.db2.gz RNVIBQYEHVKSIM-UHFFFAOYSA-N 0 1 393.447 3.990 20 5 GHBDMN CCS[C@H]1CCCCN([C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000112090322 842182177 /nfs/dbraw/zinc/18/21/77/842182177.db2.gz BYPSENXMLLZXIT-ZFWWWQNUSA-N 0 1 381.498 3.538 20 5 GHBDMN Cc1[nH]nc(C(=O)N2CCC[C@H](c3nc4ccccc4n3C(C)C)C2)c1[N+](=O)[O-] ZINC000265119976 842569582 /nfs/dbraw/zinc/56/95/82/842569582.db2.gz NMIKFAIPEIUEFQ-AWEZNQCLSA-N 0 1 396.451 3.577 20 5 GHBDMN CCCN(CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(=O)Nc1ccccc1C ZINC000178267306 842649283 /nfs/dbraw/zinc/64/92/83/842649283.db2.gz BZSHYEAGGLGTQT-UHFFFAOYSA-N 0 1 398.463 3.583 20 5 GHBDMN COc1ccc(CN(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)cc1[N+](=O)[O-] ZINC000051406898 842968021 /nfs/dbraw/zinc/96/80/21/842968021.db2.gz ZZGMUFDUWREYDW-UHFFFAOYSA-N 0 1 395.459 3.660 20 5 GHBDMN Cc1cc([N+](=O)[O-])cc(Cl)c1NCC1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000302802816 861370552 /nfs/dbraw/zinc/37/05/52/861370552.db2.gz DFAPJDCENVSXON-UHFFFAOYSA-N 0 1 396.919 3.595 20 5 GHBDMN CN(c1ccccc1)c1ccc(CN2CCC3(CC2)OCCO3)cc1[N+](=O)[O-] ZINC000126051424 843025161 /nfs/dbraw/zinc/02/51/61/843025161.db2.gz RMXQOPWMBFLZQK-UHFFFAOYSA-N 0 1 383.448 3.702 20 5 GHBDMN COc1ccc(C(C)(C)NCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1F ZINC000599600095 861396705 /nfs/dbraw/zinc/39/67/05/861396705.db2.gz XEWGPOHTAQVMAO-UHFFFAOYSA-N 0 1 395.818 3.859 20 5 GHBDMN CCOc1cc(CN[C@@H](C)c2cc(OC)c(OC)c(OC)c2)ccc1[N+](=O)[O-] ZINC000276920614 843749031 /nfs/dbraw/zinc/74/90/31/843749031.db2.gz PBMVLYOKHUWROW-ZDUSSCGKSA-N 0 1 390.436 3.870 20 5 GHBDMN CC1(C)C[C@H](N[C@@H]2CCN(Cc3ccccc3)C2=O)c2cc([N+](=O)[O-])ccc21 ZINC000433294467 843982001 /nfs/dbraw/zinc/98/20/01/843982001.db2.gz MCQYZOOYHFTFEO-UXHICEINSA-N 0 1 379.460 3.708 20 5 GHBDMN C[C@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(F)c(Br)c1 ZINC000610831079 844644079 /nfs/dbraw/zinc/64/40/79/844644079.db2.gz VNQHSCSCGOTTHS-JTQLQIEISA-N 0 1 396.216 3.786 20 5 GHBDMN COC[C@@H](C)N(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCc2ccccc21 ZINC000599684259 861525462 /nfs/dbraw/zinc/52/54/62/861525462.db2.gz XJXWIJNUYREGPW-IIBYNOLFSA-N 0 1 397.475 3.582 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N2CC=C(c3c[nH]c4cc(F)ccc43)CC2)c1[N+](=O)[O-] ZINC000433832355 845453876 /nfs/dbraw/zinc/45/38/76/845453876.db2.gz JCNCRXHLOFAVKA-UHFFFAOYSA-N 0 1 397.410 3.991 20 5 GHBDMN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CCN(Cc2ccccc2)CC[C@@H]1C ZINC000843813001 861575693 /nfs/dbraw/zinc/57/56/93/861575693.db2.gz FVTOLBDZYGEGKQ-HNNXBMFYSA-N 0 1 385.439 3.779 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C)c1oc2ccccc2c1C ZINC000183563597 846246781 /nfs/dbraw/zinc/24/67/81/846246781.db2.gz AOMNNCVXOUBLSF-CYBMUJFWSA-N 0 1 383.404 3.947 20 5 GHBDMN Cc1c2ccccc2oc1[C@@H](C)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000183582739 846320713 /nfs/dbraw/zinc/32/07/13/846320713.db2.gz KEOOAYVRAGNXDI-CQSZACIVSA-N 0 1 388.445 3.774 20 5 GHBDMN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 ZINC000135513570 846760343 /nfs/dbraw/zinc/76/03/43/846760343.db2.gz LREULVFBOUZMNY-UHFFFAOYSA-N 0 1 382.348 3.518 20 5 GHBDMN CCOc1ccc(NC(=O)CN[C@H](CC(F)F)c2ccccc2)c([N+](=O)[O-])c1 ZINC000421000611 847623744 /nfs/dbraw/zinc/62/37/44/847623744.db2.gz WHAVEUMCTXYTCB-MRXNPFEDSA-N 0 1 393.390 3.918 20 5 GHBDMN C[C@@H]1C[C@@H](C(=O)[O-])C[N@@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000422638846 847730763 /nfs/dbraw/zinc/73/07/63/847730763.db2.gz VHRBOJNQGRJMLG-NVXWUHKLSA-N 0 1 383.448 3.905 20 5 GHBDMN CC[C@H]1C[C@]1(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(C)c1 ZINC000502483027 847939150 /nfs/dbraw/zinc/93/91/50/847939150.db2.gz SQEDAGTUFVIICJ-OXJNMPFZSA-N 0 1 388.489 3.592 20 5 GHBDMN CCO[C@H]1C[C@H](N(C)C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C12CCCCC2 ZINC000303857097 861875770 /nfs/dbraw/zinc/87/57/70/861875770.db2.gz FUFMTHIOVJEGQT-IRXDYDNUSA-N 0 1 386.452 3.671 20 5 GHBDMN CCc1[nH]nc(C(=O)N2CCC(Sc3ccc(Cl)cc3)CC2)c1[N+](=O)[O-] ZINC000178679040 848469347 /nfs/dbraw/zinc/46/93/47/848469347.db2.gz YTCZGCIQNVDIHR-UHFFFAOYSA-N 0 1 394.884 3.931 20 5 GHBDMN CCOC(=O)c1cc(S(=O)(=O)Nc2cccc(Cl)c2)cc([N+](=O)[O-])c1C ZINC000522514712 861996524 /nfs/dbraw/zinc/99/65/24/861996524.db2.gz MQGLPGCASGGTTD-UHFFFAOYSA-N 0 1 398.824 3.534 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)cnc1N1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000583182580 849276012 /nfs/dbraw/zinc/27/60/12/849276012.db2.gz BPBVICAOPVBPQC-QMMMGPOBSA-N 0 1 375.738 3.769 20 5 GHBDMN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccc(CN2CCSCC2)cc1 ZINC000504408222 850056132 /nfs/dbraw/zinc/05/61/32/850056132.db2.gz MZRNXKQTUZKSPG-OAHLLOKOSA-N 0 1 397.500 3.735 20 5 GHBDMN COCc1cc(Cl)ccc1NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000424087746 850209540 /nfs/dbraw/zinc/20/95/40/850209540.db2.gz RYAOQANSZWOUKC-UHFFFAOYSA-N 0 1 384.841 3.812 20 5 GHBDMN CCc1cccc2c(CC(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)n[nH]3)c[nH]c21 ZINC000518852154 850249530 /nfs/dbraw/zinc/24/95/30/850249530.db2.gz VNFZOJOXRQNXFC-UHFFFAOYSA-N 0 1 390.403 3.605 20 5 GHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC(Cc2ccc(F)cc2)CC1 ZINC000504971121 850494819 /nfs/dbraw/zinc/49/48/19/850494819.db2.gz NPBDPRFGQRLRCZ-UHFFFAOYSA-N 0 1 382.395 3.705 20 5 GHBDMN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc(F)c(CN(C)C)c1 ZINC000439883100 850540993 /nfs/dbraw/zinc/54/09/93/850540993.db2.gz MXMSQVQOJLZBKD-UHFFFAOYSA-N 0 1 390.415 3.516 20 5 GHBDMN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)c1n[nH]c([C@@H](C)CC)n1 ZINC000439935484 850606363 /nfs/dbraw/zinc/60/63/63/850606363.db2.gz UUEQJUPLZBDLOV-QWRGUYRKSA-N 0 1 376.417 3.508 20 5 GHBDMN COc1ccccc1-c1ncc(CN(C)CCc2ccccc2[N+](=O)[O-])cn1 ZINC000430076367 850729123 /nfs/dbraw/zinc/72/91/23/850729123.db2.gz DVEMXLVYDOXXQX-UHFFFAOYSA-N 0 1 378.432 3.735 20 5 GHBDMN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cc(Cl)cc(Br)c1O ZINC000174922333 851125119 /nfs/dbraw/zinc/12/51/19/851125119.db2.gz JSEKSNVNUFQSLS-UHFFFAOYSA-N 0 1 386.589 3.672 20 5 GHBDMN C[C@@H]1[C@@H](Nc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000910357841 851149172 /nfs/dbraw/zinc/14/91/72/851149172.db2.gz OWBXIVOCEMKDJK-BQULGAROSA-N 0 1 381.432 3.768 20 5 GHBDMN Cc1cc(C2CCN(Cc3ccc(Br)cc3[N+](=O)[O-])CC2)[nH]n1 ZINC000425459927 851179341 /nfs/dbraw/zinc/17/93/41/851179341.db2.gz QAKZFFTXEHHSDJ-UHFFFAOYSA-N 0 1 379.258 3.768 20 5 GHBDMN O=C(NCc1cc([N+](=O)[O-])ccc1Cl)c1ccc(CN2CCCCC2)o1 ZINC001127205178 862219353 /nfs/dbraw/zinc/21/93/53/862219353.db2.gz CTGQWSLDMQNRLJ-UHFFFAOYSA-N 0 1 377.828 3.757 20 5 GHBDMN CCCCOc1cccc(NS(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)c1 ZINC000488260269 851320018 /nfs/dbraw/zinc/32/00/18/851320018.db2.gz VQZSZFWRHDLWLW-UHFFFAOYSA-N 0 1 398.412 3.722 20 5 GHBDMN O=[N+]([O-])c1ccc(NCc2nc(-c3ccc(F)cc3)n[nH]2)c(OC(F)F)c1 ZINC000546180990 851329267 /nfs/dbraw/zinc/32/92/67/851329267.db2.gz GXCBIKYDVMUJGN-UHFFFAOYSA-N 0 1 379.298 3.733 20 5 GHBDMN O=[N+]([O-])c1ccc(NCc2n[nH]c(-c3ccc(F)cc3)n2)c(OC(F)F)c1 ZINC000546180990 851329274 /nfs/dbraw/zinc/32/92/74/851329274.db2.gz GXCBIKYDVMUJGN-UHFFFAOYSA-N 0 1 379.298 3.733 20 5 GHBDMN COc1c(F)cc(S(=O)(=O)Nc2c(C)cccc2SC)cc1[N+](=O)[O-] ZINC000488300544 851376295 /nfs/dbraw/zinc/37/62/95/851376295.db2.gz PDIBPVXPQPOJFG-UHFFFAOYSA-N 0 1 386.426 3.574 20 5 GHBDMN O=C(CN1CCC[C@@H]1C1CCC1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000436253809 851385977 /nfs/dbraw/zinc/38/59/77/851385977.db2.gz OCJFJQUMBARZGG-QGZVFWFLSA-N 0 1 386.477 3.921 20 5 GHBDMN Cc1ccc(C=Cc2n[nH]c(SCc3nc4cc([N+](=O)[O-])ccc4[nH]3)n2)o1 ZINC000473798701 852061832 /nfs/dbraw/zinc/06/18/32/852061832.db2.gz OLKQCSSLCYEMNR-FNORWQNLSA-N 0 1 382.405 3.953 20 5 GHBDMN COc1ccc(-c2n[nH]c(SCc3nc4cc([N+](=O)[O-])ccc4[nH]3)n2)cc1 ZINC000473793990 852066758 /nfs/dbraw/zinc/06/67/58/852066758.db2.gz IMDNHBKQMGJQLD-UHFFFAOYSA-N 0 1 382.405 3.557 20 5 GHBDMN O=C(NCCCCc1nc(-c2cccnc2)cs1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000506194769 852170875 /nfs/dbraw/zinc/17/08/75/852170875.db2.gz ZBHSFKDJWOFHEK-UHFFFAOYSA-N 0 1 398.444 3.572 20 5 GHBDMN CN(C)[C@@H](CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccsc1 ZINC000426032302 852488130 /nfs/dbraw/zinc/48/81/30/852488130.db2.gz ACTFDNDXKUHQMO-SFHVURJKSA-N 0 1 388.493 3.633 20 5 GHBDMN C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000436946398 852527053 /nfs/dbraw/zinc/52/70/53/852527053.db2.gz ARCDWYPXQUQUTI-OAHLLOKOSA-N 0 1 383.448 3.605 20 5 GHBDMN O=C(CC1CCCC1)NCCN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000490190749 852821257 /nfs/dbraw/zinc/82/12/57/852821257.db2.gz LYQIKEHMQRIUNO-QFIPXVFZSA-N 0 1 381.476 3.970 20 5 GHBDMN Cc1c(Br)cc(S(=O)(=O)Nc2ccsc2)cc1[N+](=O)[O-] ZINC000438781317 852846729 /nfs/dbraw/zinc/84/67/29/852846729.db2.gz VCUIOIFZSVJNIX-UHFFFAOYSA-N 0 1 377.241 3.528 20 5 GHBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)[C@@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000490342962 852948511 /nfs/dbraw/zinc/94/85/11/852948511.db2.gz IZFCGPTXWZSZIR-HUUCEWRRSA-N 0 1 383.795 3.776 20 5 GHBDMN O=C(Cn1ccc2ccc(Cl)cc21)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000490359248 852979480 /nfs/dbraw/zinc/97/94/80/852979480.db2.gz BHILXIRSNAESBA-UHFFFAOYSA-N 0 1 396.794 3.627 20 5 GHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc3nc(C(F)F)sc3c2)cc1 ZINC000507638539 853117886 /nfs/dbraw/zinc/11/78/86/853117886.db2.gz SUZAXDZBOWHXSX-UHFFFAOYSA-N 0 1 385.373 3.943 20 5 GHBDMN CCOc1ccc2nc(S[C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)[nH]c2c1 ZINC000518282681 853161284 /nfs/dbraw/zinc/16/12/84/853161284.db2.gz KCRKAQOKOUIJAU-KRWDZBQOSA-N 0 1 398.444 3.767 20 5 GHBDMN CCc1[nH]nc(C(=O)Nc2ccc3nc(-c4cccc(F)c4)[nH]c3c2)c1[N+](=O)[O-] ZINC000439049310 853234525 /nfs/dbraw/zinc/23/45/25/853234525.db2.gz HLUSLDCIXSNIKY-UHFFFAOYSA-N 0 1 394.366 3.815 20 5 GHBDMN CC(C)(C)c1ccc(C(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)cc1[N+](=O)[O-] ZINC000518484594 853415645 /nfs/dbraw/zinc/41/56/45/853415645.db2.gz ZEIRREFMPOBIJA-UHFFFAOYSA-N 0 1 397.410 3.747 20 5 GHBDMN CC(C)(C)c1ccc(C(=O)NCc2n[nH]c(-c3ccc(F)cc3)n2)cc1[N+](=O)[O-] ZINC000518484594 853415653 /nfs/dbraw/zinc/41/56/53/853415653.db2.gz ZEIRREFMPOBIJA-UHFFFAOYSA-N 0 1 397.410 3.747 20 5 GHBDMN O=[N+]([O-])c1ccc(CN2CC[C@](CO)(Cc3ccc(F)cc3)C2)c(Cl)c1 ZINC000519776237 853481580 /nfs/dbraw/zinc/48/15/80/853481580.db2.gz FGAYGLSCOAZPMB-IBGZPJMESA-N 0 1 378.831 3.814 20 5 GHBDMN CC(C)(c1nc(Cc2nnc(-c3ccccc3)[nH]2)no1)c1ccccc1[N+](=O)[O-] ZINC000426402000 853704774 /nfs/dbraw/zinc/70/47/74/853704774.db2.gz QDZOGRSWJHDVTM-UHFFFAOYSA-N 0 1 390.403 3.680 20 5 GHBDMN CCNC(=O)[C@H](C)NCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000518749803 853713959 /nfs/dbraw/zinc/71/39/59/853713959.db2.gz UJRNPROOHNHFRN-LBPRGKRZSA-N 0 1 377.828 3.655 20 5 GHBDMN COc1ccccc1[C@@H](CNC(=O)c1cccc(C)c1[N+](=O)[O-])N1CCCCC1 ZINC000055752005 854089621 /nfs/dbraw/zinc/08/96/21/854089621.db2.gz VVRHLKSYOGFUSB-LJQANCHMSA-N 0 1 397.475 3.869 20 5 GHBDMN COc1cccc(-c2cc(C(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)n[nH]2)c1 ZINC000152288386 854246833 /nfs/dbraw/zinc/24/68/33/854246833.db2.gz UQDDSDMULDNDGU-UHFFFAOYSA-N 0 1 392.415 3.798 20 5 GHBDMN CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000588825733 854509613 /nfs/dbraw/zinc/50/96/13/854509613.db2.gz LARPTNLAVIWXDZ-HNNXBMFYSA-N 0 1 387.488 3.669 20 5 GHBDMN CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000588825733 854509617 /nfs/dbraw/zinc/50/96/17/854509617.db2.gz LARPTNLAVIWXDZ-HNNXBMFYSA-N 0 1 387.488 3.669 20 5 GHBDMN CCCN(CCc1cccs1)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000184515934 854641680 /nfs/dbraw/zinc/64/16/80/854641680.db2.gz LDTKMQVMPVDTDC-UHFFFAOYSA-N 0 1 377.466 3.558 20 5 GHBDMN O=C(Nc1ccccc1)[C@@H](NCCOc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000165172756 854746455 /nfs/dbraw/zinc/74/64/55/854746455.db2.gz CBVXEGZWSVOEHE-NRFANRHFSA-N 0 1 391.427 3.943 20 5 GHBDMN CC(C)c1nc([C@H]2CCCCN2C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)n[nH]1 ZINC000589248524 854759654 /nfs/dbraw/zinc/75/96/54/854759654.db2.gz MAJICVMQLUJMQQ-CQSZACIVSA-N 0 1 376.392 3.735 20 5 GHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(F)c(F)cc2N2CCCCC2)cc1 ZINC000589558176 855025251 /nfs/dbraw/zinc/02/52/51/855025251.db2.gz NMIMIMVLKWASBB-UHFFFAOYSA-N 0 1 397.403 3.664 20 5 GHBDMN COc1cccc([C@@H]2[C@H](NC(=O)c3ccc([N+](=O)[O-])c(C)c3)CCN2C2CC2)c1 ZINC000482048390 862639939 /nfs/dbraw/zinc/63/99/39/862639939.db2.gz YJYZRRSLBFFCQE-TZIWHRDSSA-N 0 1 395.459 3.620 20 5 GHBDMN O=[N+]([O-])c1cnn(CCN2CCC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)c1 ZINC000438554182 855220863 /nfs/dbraw/zinc/22/08/63/855220863.db2.gz UARBFZQYTUOTBI-CQSZACIVSA-N 0 1 385.251 3.642 20 5 GHBDMN O=C(N[C@H]1CCCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000123032162 855282157 /nfs/dbraw/zinc/28/21/57/855282157.db2.gz GTHMQJOMBYUMKU-KRWDZBQOSA-N 0 1 390.443 3.537 20 5 GHBDMN COc1ccccc1[C@@H](CNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1)N1CCCC1 ZINC000058824525 862668169 /nfs/dbraw/zinc/66/81/69/862668169.db2.gz RKOQAHHLGYGURK-LJQANCHMSA-N 0 1 398.463 3.870 20 5 GHBDMN O=C(Nc1nc(-c2ccc3ccccc3n2)n[nH]1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000590556332 855474305 /nfs/dbraw/zinc/47/43/05/855474305.db2.gz COUKTYWGAMWSDJ-UHFFFAOYSA-N 0 1 399.370 3.662 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1CN(C)[C@@H](CO)c1cccc(Br)c1 ZINC000542701833 855502744 /nfs/dbraw/zinc/50/27/44/855502744.db2.gz PPONVHGWSHVLGK-KRWDZBQOSA-N 0 1 379.254 3.831 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000133797315 862704289 /nfs/dbraw/zinc/70/42/89/862704289.db2.gz CVLKPOGCUPQWAQ-HUUCEWRRSA-N 0 1 391.493 3.565 20 5 GHBDMN Cc1ccc([C@H](CNC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)N2CCCC2)o1 ZINC000171227315 856047127 /nfs/dbraw/zinc/04/71/27/856047127.db2.gz NTZHTVLCEPUBRU-QAPCUYQASA-N 0 1 386.452 3.694 20 5 GHBDMN CCOC(=O)Cc1ccc(NC[C@H](c2ccco2)N2CCCC2)c([N+](=O)[O-])c1 ZINC000591890342 856406829 /nfs/dbraw/zinc/40/68/29/856406829.db2.gz FUDWMSGLGSLDAK-GOSISDBHSA-N 0 1 387.436 3.542 20 5 GHBDMN O=[N+]([O-])c1c(Sc2nc(-c3cc(F)cc(F)c3)n[nH]2)nc2sccn21 ZINC000462906319 856512313 /nfs/dbraw/zinc/51/23/13/856512313.db2.gz LHKXGTYVUXWZLG-UHFFFAOYSA-N 0 1 380.361 3.519 20 5 GHBDMN COc1cccc([C@H](CNC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)N2CCCC2)c1 ZINC000573780845 856517429 /nfs/dbraw/zinc/51/74/29/856517429.db2.gz LPXIGUVPPVBVIU-KKSFZXQISA-N 0 1 397.475 3.660 20 5 GHBDMN Cc1cccc(NC(=O)[C@@H]2CCCN(C/C=C/c3ccccc3[N+](=O)[O-])C2)n1 ZINC000091685570 856548330 /nfs/dbraw/zinc/54/83/30/856548330.db2.gz WPQNFLGVQZJHHY-QKYXPGDISA-N 0 1 380.448 3.662 20 5 GHBDMN COc1ccc([C@@H](CNC(=O)c2ccccc2[N+](=O)[O-])N2CCCCC2)cc1 ZINC000027667568 856986599 /nfs/dbraw/zinc/98/65/99/856986599.db2.gz AGUVUDWQUPFLSO-HXUWFJFHSA-N 0 1 383.448 3.560 20 5 GHBDMN COc1ccc([C@@H](CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)N2CCCCC2)cc1 ZINC000027667230 857007140 /nfs/dbraw/zinc/00/71/40/857007140.db2.gz ZOMVOTLGQRQFEE-OAQYLSRUSA-N 0 1 397.475 3.869 20 5 GHBDMN COc1cc(CN[C@H]2CSC2(C)C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000554937349 857068164 /nfs/dbraw/zinc/06/81/64/857068164.db2.gz GXDFBKCQQSSFTI-ZDUSSCGKSA-N 0 1 380.388 3.528 20 5 GHBDMN Cc1cc(N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000592978132 857146192 /nfs/dbraw/zinc/14/61/92/857146192.db2.gz KYHKKUIYQVJJFD-DOTOQJQBSA-N 0 1 383.448 3.924 20 5 GHBDMN O=[N+]([O-])c1cc(Br)cnc1NC[C@@H](c1ccco1)N1CCCCC1 ZINC000301697681 857221897 /nfs/dbraw/zinc/22/18/97/857221897.db2.gz QRYVGUAMMSYUDB-AWEZNQCLSA-N 0 1 395.257 3.984 20 5 GHBDMN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(F)c(-c2nc[nH]n2)c1 ZINC001128589579 862904913 /nfs/dbraw/zinc/90/49/13/862904913.db2.gz OCPCVMCLQNXTNO-ZDUSSCGKSA-N 0 1 383.383 3.726 20 5 GHBDMN C[C@H](CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)OC(C)(C)C ZINC000594518977 858207624 /nfs/dbraw/zinc/20/76/24/858207624.db2.gz MQCJPOOTVORLND-GFCCVEGCSA-N 0 1 377.466 3.786 20 5 GHBDMN Cc1ccc(CN(CC2CC2)C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)cn1 ZINC000592832625 858291606 /nfs/dbraw/zinc/29/16/06/858291606.db2.gz ULKWSJUUNIFVTF-UHFFFAOYSA-N 0 1 391.431 3.741 20 5 GHBDMN C[C@H]1CC[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CS1(=O)=O ZINC000594973819 858335845 /nfs/dbraw/zinc/33/58/45/858335845.db2.gz FKZLXXWBDAGEGG-RYUDHWBXSA-N 0 1 398.868 3.564 20 5 GHBDMN COc1ccc(-c2ccc(CNCc3ccc(OCCO)cc3)o2)c([N+](=O)[O-])c1 ZINC000521828203 858346665 /nfs/dbraw/zinc/34/66/65/858346665.db2.gz JMHIVMRGKAWLRL-UHFFFAOYSA-N 0 1 398.415 3.524 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCc1cccc(CN2CCO[C@@H](C)C2)c1 ZINC000595018568 858352268 /nfs/dbraw/zinc/35/22/68/858352268.db2.gz RYRGYEURHFFJPL-DLBZAZTESA-N 0 1 399.491 3.675 20 5 GHBDMN C[C@@H](c1ccccc1)[C@@H](O)CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000594999579 858361530 /nfs/dbraw/zinc/36/15/30/858361530.db2.gz BYUSBTRXAUZCPY-LIRRHRJNSA-N 0 1 383.473 3.973 20 5 GHBDMN CCCN1Cc2cccc(N[C@H](C)C(=O)Nc3ccc(OC)cc3[N+](=O)[O-])c2C1 ZINC000066968238 858379021 /nfs/dbraw/zinc/37/90/21/858379021.db2.gz IHAVTISNIWFWKB-CQSZACIVSA-N 0 1 398.463 3.768 20 5 GHBDMN Cc1cc(NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000592969850 858455103 /nfs/dbraw/zinc/45/51/03/858455103.db2.gz ZXYMGKPNNQTJQJ-QGZVFWFLSA-N 0 1 383.448 3.926 20 5 GHBDMN CCOc1cc(CN2CCC=C(c3cn(C(C)C)nn3)CC2)ccc1[N+](=O)[O-] ZINC000595521867 858551803 /nfs/dbraw/zinc/55/18/03/858551803.db2.gz GATYWWYJJJKNCF-UHFFFAOYSA-N 0 1 385.468 3.845 20 5 GHBDMN C[C@@]1(Cc2ccccc2Cl)CCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000595637481 858626092 /nfs/dbraw/zinc/62/60/92/858626092.db2.gz XXGSVAISLYBODH-IBGZPJMESA-N 0 1 375.856 3.507 20 5 GHBDMN Cc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C)c2)c(Br)c1 ZINC000314904610 858639207 /nfs/dbraw/zinc/63/92/07/858639207.db2.gz CSXYHWLNNJFPFI-UHFFFAOYSA-N 0 1 385.239 3.775 20 5 GHBDMN NC(=O)c1cc(NC[C@@H](c2ccccc2Cl)N2CCCC2)ccc1[N+](=O)[O-] ZINC000596059471 858747367 /nfs/dbraw/zinc/74/73/67/858747367.db2.gz JAWKSZAQWJJSQZ-SFHVURJKSA-N 0 1 388.855 3.596 20 5 GHBDMN COc1ccc(C[C@H](C)N2CCc3nn(-c4ccccc4)cc3C2)c([N+](=O)[O-])c1 ZINC001170352875 881390083 /nfs/dbraw/zinc/39/00/83/881390083.db2.gz SMYRRHOWRGGUPT-INIZCTEOSA-N 0 1 392.459 3.778 20 5 GHBDMN CC(C)(C)N1CCc2nc(NC(=O)c3c(F)cccc3[N+](=O)[O-])sc2C1 ZINC000601647517 859404911 /nfs/dbraw/zinc/40/49/11/859404911.db2.gz MKLKURHAKWIOFQ-UHFFFAOYSA-N 0 1 378.429 3.599 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(Cc1ccccc1)CC1(O)CCCC1 ZINC000474206026 859607383 /nfs/dbraw/zinc/60/73/83/859607383.db2.gz AXAISXMNLIYNCI-UHFFFAOYSA-N 0 1 397.475 3.649 20 5 GHBDMN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000025330394 859649536 /nfs/dbraw/zinc/64/95/36/859649536.db2.gz BXGDVVRLGZKZNC-LRDDRELGSA-N 0 1 379.507 3.556 20 5 GHBDMN NC(=O)CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C1CCCC1 ZINC000611254307 859664867 /nfs/dbraw/zinc/66/48/67/859664867.db2.gz XTYCTYVJMOKNDI-UHFFFAOYSA-N 0 1 377.828 3.738 20 5 GHBDMN COC(=O)COc1ccc(CNCc2ccc3[nH]c(C)c(C)c3c2)cc1[N+](=O)[O-] ZINC000474359317 859921315 /nfs/dbraw/zinc/92/13/15/859921315.db2.gz CSVUJMIYZOLXNN-UHFFFAOYSA-N 0 1 397.431 3.535 20 5 GHBDMN COc1cc(CN2CCC(c3c[nH]c4ncccc34)CC2)c([N+](=O)[O-])cc1OC ZINC000091955274 859966620 /nfs/dbraw/zinc/96/66/20/859966620.db2.gz HQVSNPKNWPVAJB-UHFFFAOYSA-N 0 1 396.447 3.868 20 5 GHBDMN O=C(N[C@H](c1cccs1)c1ccc2c(c1)CCCC2)c1n[nH]cc1[N+](=O)[O-] ZINC000123549790 859996776 /nfs/dbraw/zinc/99/67/76/859996776.db2.gz WKLVLSRXIQRORM-KRWDZBQOSA-N 0 1 382.445 3.778 20 5 GHBDMN COC(=O)Cc1ccc(CNCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000602721384 860231042 /nfs/dbraw/zinc/23/10/42/860231042.db2.gz QQVOPORRINOAER-UHFFFAOYSA-N 0 1 382.338 3.619 20 5 GHBDMN CCOc1ccc([C@@H](NCc2cn(C)nc2[N+](=O)[O-])C(C)C)cc1OCC ZINC000602803345 860288774 /nfs/dbraw/zinc/28/87/74/860288774.db2.gz WVQJHGUAFFQYJN-SFHVURJKSA-N 0 1 376.457 3.613 20 5 GHBDMN CCOc1ccc(NC(=O)CSc2nc3ccc(C)cc3[nH]2)c([N+](=O)[O-])c1 ZINC000007344235 860366914 /nfs/dbraw/zinc/36/69/14/860366914.db2.gz IZROXOVYHWQKEE-UHFFFAOYSA-N 0 1 386.433 3.909 20 5 GHBDMN COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000093930807 860378209 /nfs/dbraw/zinc/37/82/09/860378209.db2.gz OXOFIXNDAZKXNY-UHFFFAOYSA-N 0 1 391.232 3.849 20 5 GHBDMN CC1(C)C[C@@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)c2ccc(F)cc2O1 ZINC000484867833 860437341 /nfs/dbraw/zinc/43/73/41/860437341.db2.gz RSOZZZGBVHPBCH-OAHLLOKOSA-N 0 1 384.367 3.642 20 5 GHBDMN COc1cc(CNCc2cccnc2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000061003030 860526323 /nfs/dbraw/zinc/52/63/23/860526323.db2.gz WYAAALAWPXCTDG-UHFFFAOYSA-N 0 1 379.416 3.867 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2cc(-c3nc(COc4ccc(F)cc4)no3)[nH]n2)cc1 ZINC000904667740 860557534 /nfs/dbraw/zinc/55/75/34/860557534.db2.gz XMOYHRWCWJKFNX-UHFFFAOYSA-N 0 1 381.323 3.753 20 5 GHBDMN O=[N+]([O-])c1sc(CNC[C@@H]2CC[C@@H](C(F)(F)F)O2)cc1Br ZINC000896281707 860604260 /nfs/dbraw/zinc/60/42/60/860604260.db2.gz YZMMUQKSIYXGNK-RCOVLWMOSA-N 0 1 389.193 3.618 20 5 GHBDMN COc1cc(CN[C@@H]2CO[C@@H](C3CC3)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000599007605 860723745 /nfs/dbraw/zinc/72/37/45/860723745.db2.gz QOIMLCGLNJMLJM-AZUAARDMSA-N 0 1 398.459 3.840 20 5 GHBDMN C[C@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000192851772 860909317 /nfs/dbraw/zinc/90/93/17/860909317.db2.gz KCTYCNFYTRROGU-NSHDSACASA-N 0 1 378.226 3.647 20 5 GHBDMN Cc1ccccc1C1CCN(Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000730255445 860976201 /nfs/dbraw/zinc/97/62/01/860976201.db2.gz WRBSDJVUXSGERA-UHFFFAOYSA-N 0 1 377.448 3.999 20 5 GHBDMN Cc1ccc(CN2CCSCC2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000126475299 861052015 /nfs/dbraw/zinc/05/20/15/861052015.db2.gz XCXFTIWENKOREM-UHFFFAOYSA-N 0 1 389.452 3.843 20 5 GHBDMN COc1ccc([C@H]2CCC[N@@H+]2Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])c(OC)c1 ZINC000593730712 861097099 /nfs/dbraw/zinc/09/70/99/861097099.db2.gz YOLVPPHCZVVYET-GOSISDBHSA-N 0 1 386.404 3.647 20 5 GHBDMN COc1ccc([C@H]2CCC[N@H+]2Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])c(OC)c1 ZINC000593730712 861097116 /nfs/dbraw/zinc/09/71/16/861097116.db2.gz YOLVPPHCZVVYET-GOSISDBHSA-N 0 1 386.404 3.647 20 5 GHBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@@H](OCCCc3ccccc3)C2)c1 ZINC000593740437 861151322 /nfs/dbraw/zinc/15/13/22/861151322.db2.gz YFUSTABDYXILGR-LJQANCHMSA-N 0 1 384.432 3.517 20 5 GHBDMN CCN1CCCC[C@@H]1CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444005965 863135554 /nfs/dbraw/zinc/13/55/54/863135554.db2.gz ZQTNEVSIXXCSGV-CQSZACIVSA-N 0 1 399.441 3.564 20 5 GHBDMN O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CC[C@H](N2CCCCC2)C1 ZINC000444007822 863141818 /nfs/dbraw/zinc/14/18/18/863141818.db2.gz GDHVLXJGXPNHMH-HNNXBMFYSA-N 0 1 393.462 3.521 20 5 GHBDMN Cc1c(NC(=O)[C@H](C)N2CC[C@@H](COCc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000444162989 863570242 /nfs/dbraw/zinc/57/02/42/863570242.db2.gz AJRMYWYVNOIYGF-PKOBYXMFSA-N 0 1 397.475 3.769 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2nc(CNCCOC3CCSCC3)cs2)c1 ZINC000898441678 863869582 /nfs/dbraw/zinc/86/95/82/863869582.db2.gz BUZZSMLVVOMOPG-UHFFFAOYSA-N 0 1 379.507 3.720 20 5 GHBDMN COc1ccc([C@H](C)N[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])c(C)c1OC ZINC000554292834 864068930 /nfs/dbraw/zinc/06/89/30/864068930.db2.gz KMQVZNLZKLJTFZ-UONOGXRCSA-N 0 1 387.436 3.598 20 5 GHBDMN O=[N+]([O-])c1ccc(CN2CCC[C@@H]2Cn2cnc3ccccc32)c([N+](=O)[O-])c1 ZINC000792870718 881741343 /nfs/dbraw/zinc/74/13/43/881741343.db2.gz JLIUUKYNVDGWKG-MRXNPFEDSA-N 0 1 381.392 3.517 20 5 GHBDMN Cc1c(CNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])oc2ccccc12 ZINC000734498752 864255134 /nfs/dbraw/zinc/25/51/34/864255134.db2.gz WCEQJKFOSRXMTG-UHFFFAOYSA-N 0 1 380.809 3.781 20 5 GHBDMN C[C@]12CCCN1C[C@H](c1noc(-c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)n1)OC2 ZINC000520458242 881794692 /nfs/dbraw/zinc/79/46/92/881794692.db2.gz NKSDMZDCQPCZBK-CZUORRHYSA-N 0 1 398.341 3.589 20 5 GHBDMN COC(=O)COc1ccc(CN2CCC[C@H]2c2cccs2)cc1[N+](=O)[O-] ZINC000475545711 866255257 /nfs/dbraw/zinc/25/52/57/866255257.db2.gz BSBSONZQIQOYQM-AWEZNQCLSA-N 0 1 376.434 3.545 20 5 GHBDMN O=C(Nc1ccn(-c2ccncc2)n1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000071027646 866338508 /nfs/dbraw/zinc/33/85/08/866338508.db2.gz RVTPDDCIRQSBJJ-UHFFFAOYSA-N 0 1 392.400 3.551 20 5 GHBDMN C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1 ZINC000475606924 866803804 /nfs/dbraw/zinc/80/38/04/866803804.db2.gz VIAKOLJYKCNUKG-CYBMUJFWSA-N 0 1 383.404 3.567 20 5 GHBDMN CC(C)N1C[C@H](NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1=O ZINC000523390689 867224179 /nfs/dbraw/zinc/22/41/79/867224179.db2.gz ZBRYIXBDMFUASP-MRXNPFEDSA-N 0 1 387.411 3.625 20 5 GHBDMN C[C@]1(NCc2csc([N+](=O)[O-])c2)CCN(C(=O)OCc2ccccc2)C1 ZINC000793342966 882091952 /nfs/dbraw/zinc/09/19/52/882091952.db2.gz HORYHFPQHHGMIF-SFHVURJKSA-N 0 1 375.450 3.547 20 5 GHBDMN CCOc1cc(-c2noc(-c3cc([N+](=O)[O-])cnc3C)n2)cc(Cl)c1O ZINC000445407608 868390282 /nfs/dbraw/zinc/39/02/82/868390282.db2.gz PSFDMLUZYQUMHK-UHFFFAOYSA-N 0 1 376.756 3.773 20 5 GHBDMN Cc1cccc(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)c1[N+](=O)[O-] ZINC000021971737 869201722 /nfs/dbraw/zinc/20/17/22/869201722.db2.gz PXSVEAXTQXESHP-UHFFFAOYSA-N 0 1 387.867 3.951 20 5 GHBDMN C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C[N@H+]1C1CC1 ZINC000440922673 869264180 /nfs/dbraw/zinc/26/41/80/869264180.db2.gz CWACZUIPMIZALW-CABCVRRESA-N 0 1 381.432 3.742 20 5 GHBDMN C[C@@H]1C[C@H]1N1C[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1=O ZINC000539515706 869265142 /nfs/dbraw/zinc/26/51/42/869265142.db2.gz VZNIEXZANVCUTP-PSTGCABASA-N 0 1 389.839 3.607 20 5 GHBDMN Cc1ccc(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])s1 ZINC000462521776 869590105 /nfs/dbraw/zinc/59/01/05/869590105.db2.gz DCVHYBMEPOFWAX-UHFFFAOYSA-N 0 1 381.262 3.750 20 5 GHBDMN C[C@H]1CN(C)CCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000539827786 869860228 /nfs/dbraw/zinc/86/02/28/869860228.db2.gz AWDOKBWKFACWQY-LBPRGKRZSA-N 0 1 394.269 3.753 20 5 GHBDMN C[C@@H](OC(=O)c1ccc(O)c(Cl)c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000746074737 869988569 /nfs/dbraw/zinc/98/85/69/869988569.db2.gz MPMISRSATWSCDT-SECBINFHSA-N 0 1 389.751 3.922 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000539968456 870127499 /nfs/dbraw/zinc/12/74/99/870127499.db2.gz AGPLVBDSTCENMT-QWHCGFSZSA-N 0 1 375.375 3.638 20 5 GHBDMN Cc1sc(Br)cc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000122334472 870432325 /nfs/dbraw/zinc/43/23/25/870432325.db2.gz ZIYRBKWMZZAAAT-UHFFFAOYSA-N 0 1 391.268 3.836 20 5 GHBDMN Cc1ccc([C@H](C)N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000540187860 870679131 /nfs/dbraw/zinc/67/91/31/870679131.db2.gz FSELSGDKXALPMT-BQBKMSKFSA-N 0 1 379.460 3.711 20 5 GHBDMN Cc1cccc(C(=O)N2CCC[C@@H](c3nnc(-c4ccccc4)[nH]3)C2)c1[N+](=O)[O-] ZINC000181357281 870914466 /nfs/dbraw/zinc/91/44/66/870914466.db2.gz QHULCAGAIJOSKF-MRXNPFEDSA-N 0 1 391.431 3.708 20 5 GHBDMN CC(C)[C@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccc(F)cc1F ZINC000540424549 871254947 /nfs/dbraw/zinc/25/49/47/871254947.db2.gz QFXHWQAWZSTNMV-FQEVSTJZSA-N 0 1 389.402 3.749 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1CC(=O)N([C@H]2C[C@H]2c2ccccc2)C1 ZINC000539089014 871284820 /nfs/dbraw/zinc/28/48/20/871284820.db2.gz HSUQAJWSCUPAJL-JHOJWFKBSA-N 0 1 379.460 3.711 20 5 GHBDMN O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N[C@H]1c2ccccc2CC[C@H]1F ZINC001194047161 871462920 /nfs/dbraw/zinc/46/29/20/871462920.db2.gz WOIUZUANEBKOAP-CJNGLKHVSA-N 0 1 384.816 3.552 20 5 GHBDMN O=C1C[C@@H](N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)CN1c1c(F)cccc1F ZINC000447576153 871919874 /nfs/dbraw/zinc/91/98/74/871919874.db2.gz WMQRBWPBSQHSPU-ACJLOTCBSA-N 0 1 387.386 3.646 20 5 GHBDMN O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2NCc2nnc(-c3ccccc3)s2)n1 ZINC000447580844 871927729 /nfs/dbraw/zinc/92/77/29/871927729.db2.gz QLHPTYBBFPGVSD-GJZGRUSLSA-N 0 1 384.465 3.583 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N[C@H]2CCCc3ccccc3C2)c1 ZINC001195585172 872487206 /nfs/dbraw/zinc/48/72/06/872487206.db2.gz RQXATLAYTFBNPF-ZDUSSCGKSA-N 0 1 398.843 3.613 20 5 GHBDMN C[C@@H](N[C@@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1)c1ccccc1[N+](=O)[O-] ZINC001195937434 872738168 /nfs/dbraw/zinc/73/81/68/872738168.db2.gz CLBYPOGNTITPNS-TZMCWYRMSA-N 0 1 393.365 3.766 20 5 GHBDMN O=[N+]([O-])c1ccccc1OCCN1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182851919 872836060 /nfs/dbraw/zinc/83/60/60/872836060.db2.gz PUJUWHVBYJDKLM-ZDUSSCGKSA-N 0 1 384.358 3.526 20 5 GHBDMN O=[N+]([O-])c1ccccc1OCCN1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182851943 872836325 /nfs/dbraw/zinc/83/63/25/872836325.db2.gz PUJUWHVBYJDKLM-CYBMUJFWSA-N 0 1 384.358 3.526 20 5 GHBDMN CCn1c(=O)c2cc3ccccc3cc2nc1SCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000541081164 872882756 /nfs/dbraw/zinc/88/27/56/872882756.db2.gz DWFBRXARCFWGMK-HDICACEKSA-N 0 1 395.528 3.525 20 5 GHBDMN CCn1c(=O)c2cc3ccccc3cc2nc1SCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000541081164 872882772 /nfs/dbraw/zinc/88/27/72/872882772.db2.gz DWFBRXARCFWGMK-HDICACEKSA-N 0 1 395.528 3.525 20 5 GHBDMN O=C1C[C@@]2(CCCN(CCCOc3ccc([N+](=O)[O-])cc3)C2)Oc2ccccc21 ZINC001196131849 872888064 /nfs/dbraw/zinc/88/80/64/872888064.db2.gz JVRLQAMGUTYCCH-JOCHJYFZSA-N 0 1 396.443 3.864 20 5 GHBDMN COc1ccc(NC(=O)CCN2CC[C@](F)(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000619784373 872997647 /nfs/dbraw/zinc/99/76/47/872997647.db2.gz DVYIMTYQRNWNDO-HXUWFJFHSA-N 0 1 387.411 3.503 20 5 GHBDMN CN(CCCN(C)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)Cc1ccco1 ZINC000552755085 873135486 /nfs/dbraw/zinc/13/54/86/873135486.db2.gz BRKZMVNIJKIHQQ-UHFFFAOYSA-N 0 1 387.461 3.997 20 5 GHBDMN CC(C)c1cc([C@@H]2CCCN([C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C2)[nH]n1 ZINC001197543130 873887623 /nfs/dbraw/zinc/88/76/23/873887623.db2.gz PELDHZKFHONQSP-HUUCEWRRSA-N 0 1 385.468 3.648 20 5 GHBDMN O=C(CSc1nc(C=Cc2ccccc2)n[nH]1)Nc1ccccc1[N+](=O)[O-] ZINC000207222727 873992193 /nfs/dbraw/zinc/99/21/93/873992193.db2.gz QKESLAPCTJRVOX-KHPPLWFESA-N 0 1 381.417 3.614 20 5 GHBDMN Cc1cc(C(=O)Nc2nc3ccc(Br)cc3[nH]2)cc([N+](=O)[O-])c1 ZINC000464556906 874072719 /nfs/dbraw/zinc/07/27/19/874072719.db2.gz LTLWUDFIERONHV-UHFFFAOYSA-N 0 1 375.182 3.794 20 5 GHBDMN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2nc3ccc(Br)cc3[nH]2)c1 ZINC000464578224 874111562 /nfs/dbraw/zinc/11/15/62/874111562.db2.gz MYNQDJULGKJRNP-UHFFFAOYSA-N 0 1 375.182 3.794 20 5 GHBDMN CC(C)[C@@H](N[C@H](C)Cc1ccccc1[N+](=O)[O-])c1nc(-c2ccncc2)no1 ZINC000449223188 874612182 /nfs/dbraw/zinc/61/21/82/874612182.db2.gz JLFSXRNFUIPVKC-RDTXWAMCSA-N 0 1 381.436 3.958 20 5 GHBDMN CC(C)[C@H](N[C@H](C)Cc1ccccc1[N+](=O)[O-])c1nc(-c2cccnc2)no1 ZINC000449226633 874615936 /nfs/dbraw/zinc/61/59/36/874615936.db2.gz RTPHRTYHCJCRRZ-KDOFPFPSSA-N 0 1 381.436 3.958 20 5 GHBDMN CCO[C@@H]1C[C@H](NCc2cc(Cl)ccc2[N+](=O)[O-])[C@@H]1Oc1ccccc1 ZINC000776010127 875122428 /nfs/dbraw/zinc/12/24/28/875122428.db2.gz ZOXZKLYLOWCIDZ-UHOSZYNNSA-N 0 1 376.840 3.963 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@H]2COc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000771268191 875153908 /nfs/dbraw/zinc/15/39/08/875153908.db2.gz URSYFPIVMHXBHP-ZDUSSCGKSA-N 0 1 392.843 3.778 20 5 GHBDMN O=C(NC1(c2cccc(C(F)(F)F)c2)CC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000550978291 882952696 /nfs/dbraw/zinc/95/26/96/882952696.db2.gz ODKUAVBTUGZJSQ-UHFFFAOYSA-N 0 1 390.321 3.909 20 5 GHBDMN Cc1ccnn1-c1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000491855937 875990150 /nfs/dbraw/zinc/99/01/50/875990150.db2.gz YSEUMGRPYNVFGA-UHFFFAOYSA-N 0 1 386.433 3.507 20 5 GHBDMN Cc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2C)c(Br)c1 ZINC000129923516 876010604 /nfs/dbraw/zinc/01/06/04/876010604.db2.gz BCZHXRJXBCJRQZ-UHFFFAOYSA-N 0 1 385.239 3.775 20 5 GHBDMN CCc1[nH]n(Cc2ccccc2C)c(=O)c1CCNc1ncc(C)cc1[N+](=O)[O-] ZINC000450715479 876809756 /nfs/dbraw/zinc/80/97/56/876809756.db2.gz IGHVGDKZQOXLGU-QGZVFWFLSA-N 0 1 395.463 3.833 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@H](O)c1cccc(Br)c1 ZINC000850468008 876947527 /nfs/dbraw/zinc/94/75/27/876947527.db2.gz XBUBEEUXGGXNCI-ZBEGNZNMSA-N 0 1 395.253 3.750 20 5 GHBDMN CC(C)(C(=O)NOCc1ccc(Br)c([N+](=O)[O-])c1)c1ccccc1 ZINC000786893329 877012334 /nfs/dbraw/zinc/01/23/34/877012334.db2.gz GWUAGTLGLJGGTL-UHFFFAOYSA-N 0 1 393.237 3.883 20 5 GHBDMN COCc1ccc([C@H]2CCCN2C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)o1 ZINC000450942576 877103918 /nfs/dbraw/zinc/10/39/18/877103918.db2.gz VDAOUJVMFSORAH-GOSISDBHSA-N 0 1 396.403 3.702 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1CN1CCCC[C@H]1CCNC(=O)OC(C)(C)C ZINC001170074667 877459862 /nfs/dbraw/zinc/45/98/62/877459862.db2.gz LBXUUBPNOHOOCP-INIZCTEOSA-N 0 1 393.484 3.873 20 5 GHBDMN C[C@H](NCC(=O)Nc1cccc(Br)c1)c1cccc([N+](=O)[O-])c1 ZINC000137205566 877519356 /nfs/dbraw/zinc/51/93/56/877519356.db2.gz QKFLHGSBZJNIAP-NSHDSACASA-N 0 1 378.226 3.647 20 5 GHBDMN Cc1noc(CN2CCC[C@@H]2Cc2ccc(Br)cc2)c1[N+](=O)[O-] ZINC000851737158 877886032 /nfs/dbraw/zinc/88/60/32/877886032.db2.gz UPODYDVAFPISTJ-CQSZACIVSA-N 0 1 380.242 3.861 20 5 GHBDMN C[C@@H](NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788795694 878325650 /nfs/dbraw/zinc/32/56/50/878325650.db2.gz NOYUSYKVCGWNAK-SECBINFHSA-N 0 1 384.314 3.955 20 5 GHBDMN O=c1oc2ccc([N+](=O)[O-])cc2n1CN1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000795678739 912338689 /nfs/dbraw/zinc/33/86/89/912338689.db2.gz FZVSUSIOOUMDBL-KSZLIROESA-N 0 1 379.416 3.728 20 5 GHBDMN C[C@@H]1CCC[N@@H+](Cc2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])s3)cc2)C1 ZINC000538134341 878873772 /nfs/dbraw/zinc/87/37/72/878873772.db2.gz BWXCVGMWJIFRDX-CYBMUJFWSA-N 0 1 395.506 3.689 20 5 GHBDMN C[C@@H](C(=O)O[C@H](CN(C)C)c1cc(F)c(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000853212137 878894260 /nfs/dbraw/zinc/89/42/60/878894260.db2.gz AAQPFYFHODAYPN-PIGZYNQJSA-N 0 1 396.365 3.962 20 5 GHBDMN C[C@H]1C[C@@H](c2ccc(F)cc2)CN1Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853497031 879063546 /nfs/dbraw/zinc/06/35/46/879063546.db2.gz OHHZYAHQYJXUKO-GOEBONIOSA-N 0 1 381.411 3.828 20 5 GHBDMN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000761534039 879245473 /nfs/dbraw/zinc/24/54/73/879245473.db2.gz YZAJBFFNZLVLCY-JSGCOSHPSA-N 0 1 383.876 3.983 20 5 GHBDMN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000031565838 879702514 /nfs/dbraw/zinc/70/25/14/879702514.db2.gz BFRZERIAQAAZOB-FUHWJXTLSA-N 0 1 399.516 3.856 20 5 GHBDMN COc1ccc(NC(=O)[C@H](C)N(C)Cc2cccc3[nH]ccc32)c([N+](=O)[O-])c1 ZINC000494025784 879837068 /nfs/dbraw/zinc/83/70/68/879837068.db2.gz DZXULYGKXGABIG-ZDUSSCGKSA-N 0 1 382.420 3.544 20 5 GHBDMN Cc1cc([N+](=O)[O-])c(F)c(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)c1F ZINC000854483873 879844947 /nfs/dbraw/zinc/84/49/47/879844947.db2.gz JYMKHJYBTCYEJG-HIFRSBDPSA-N 0 1 389.402 3.574 20 5 GHBDMN C[C@]12CCCN1C[C@H](c1noc(-c3cc(C(F)(F)F)ccc3[N+](=O)[O-])n1)OC2 ZINC000453174828 880541778 /nfs/dbraw/zinc/54/17/78/880541778.db2.gz AVGOXDOEYRZCCO-CZUORRHYSA-N 0 1 398.341 3.589 20 5 GHBDMN COc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2SC)cc1[N+](=O)[O-] ZINC000064374954 883228993 /nfs/dbraw/zinc/22/89/93/883228993.db2.gz ZSTCWERRPBOYFG-UHFFFAOYSA-N 0 1 388.854 3.780 20 5 GHBDMN C[C@@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc21)N1CCC(Cc2ccccc2)CC1 ZINC000609515197 883282492 /nfs/dbraw/zinc/28/24/92/883282492.db2.gz MWPFJFGOTRONEX-KRWDZBQOSA-N 0 1 393.487 3.827 20 5 GHBDMN Cc1c(Br)cccc1S(=O)(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000475799574 883960728 /nfs/dbraw/zinc/96/07/28/883960728.db2.gz SQJNRORHRSRCLK-UHFFFAOYSA-N 0 1 389.202 3.606 20 5 GHBDMN CC(C)(CNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000914570991 884205178 /nfs/dbraw/zinc/20/51/78/884205178.db2.gz BTNRKEPJQSFNKY-NTMALXAHSA-N 0 1 395.459 3.941 20 5 GHBDMN C[C@H](c1ccncc1)N1CCC(NC(=O)c2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000860337465 884575378 /nfs/dbraw/zinc/57/53/78/884575378.db2.gz HZKQKAYRIXFYFI-CYBMUJFWSA-N 0 1 388.855 3.599 20 5 GHBDMN C[C@@H]1[C@H](C)N(Cc2ccccc2)[C@@H](C)CN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC001130668301 884806732 /nfs/dbraw/zinc/80/67/32/884806732.db2.gz HDZMFSDBNPIWSW-OKZBNKHCSA-N 0 1 381.476 3.647 20 5 GHBDMN COc1ccc([C@H](CNc2cc([N+](=O)[O-])ccc2C(C)=O)N(C)C)cc1OC ZINC000807916451 885852974 /nfs/dbraw/zinc/85/29/74/885852974.db2.gz VMGNNTRXXRLWEN-SFHVURJKSA-N 0 1 387.436 3.529 20 5 GHBDMN C[C@H](Cc1ccc(Cl)cc1)N(C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000532575741 886158522 /nfs/dbraw/zinc/15/85/22/886158522.db2.gz JRSSFCBGBLFPKU-CQSZACIVSA-N 0 1 375.856 3.774 20 5 GHBDMN Cc1c(CC(=O)N2CCN(Cc3ccccc3)C[C@@H]2C(C)C)cccc1[N+](=O)[O-] ZINC001131249116 886263967 /nfs/dbraw/zinc/26/39/67/886263967.db2.gz SMWNZAMHMKILME-JOCHJYFZSA-N 0 1 395.503 3.815 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc2oc(C(C)C)nc2c1 ZINC000032595229 887448508 /nfs/dbraw/zinc/44/85/08/887448508.db2.gz ZCLJKWQHFAQNIA-UHFFFAOYSA-N 0 1 375.406 3.969 20 5 GHBDMN COc1cc(CNCc2ccc([C@@H](C)O)cc2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272517442 887617822 /nfs/dbraw/zinc/61/78/22/887617822.db2.gz XVOSBMQXCFFZOH-GFCCVEGCSA-N 0 1 396.390 3.590 20 5 GHBDMN COc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)c(C)cc1C ZINC000794613957 887679437 /nfs/dbraw/zinc/67/94/37/887679437.db2.gz PTUYWVRHYKHJBX-UHFFFAOYSA-N 0 1 384.841 3.983 20 5 GHBDMN O=[N+]([O-])c1cccc(OC[C@@H](O)CN(Cc2ccco2)Cc2ccccc2)c1 ZINC000026713133 887758150 /nfs/dbraw/zinc/75/81/50/887758150.db2.gz SKZPTGNHRZVBNE-IBGZPJMESA-N 0 1 382.416 3.630 20 5 GHBDMN O=[N+]([O-])c1cccc(Br)c1CN1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000809758305 887801393 /nfs/dbraw/zinc/80/13/93/887801393.db2.gz IVEIDLRFKOWBHR-UONOGXRCSA-N 0 1 383.286 3.996 20 5 GHBDMN CC[C@H](CC(F)(F)F)NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809830845 887852194 /nfs/dbraw/zinc/85/21/94/887852194.db2.gz GIGSVHDXOWYLHM-ZCFIWIBFSA-N 0 1 395.186 3.911 20 5 GHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cnc(-c3ccccc3)nc2)c(Cl)c1 ZINC000194137380 888053378 /nfs/dbraw/zinc/05/33/78/888053378.db2.gz RZDSXPLUXDZAIY-UHFFFAOYSA-N 0 1 390.808 3.506 20 5 GHBDMN C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1cc(=O)oc2cc([O-])c(Cl)cc12 ZINC000796113190 913291835 /nfs/dbraw/zinc/29/18/35/913291835.db2.gz HRGJSFHMUCSRLN-UHFFFAOYSA-N 0 1 388.807 3.735 20 5 GHBDMN Cc1cc(S(=O)(=O)Nc2ccc(OCc3ccccc3)nc2)ccc1[N+](=O)[O-] ZINC000533007939 889509986 /nfs/dbraw/zinc/50/99/86/889509986.db2.gz FRGIDUADVUFDLH-UHFFFAOYSA-N 0 1 399.428 3.678 20 5 GHBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC[C@@H]2c2cccc(N(C)C)c2)c1 ZINC000811465807 889627194 /nfs/dbraw/zinc/62/71/94/889627194.db2.gz ILVBXIOCEWEAAU-LJQANCHMSA-N 0 1 383.448 3.785 20 5 GHBDMN O=C(NCCNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1ccc(F)cc1 ZINC000811476284 889662915 /nfs/dbraw/zinc/66/29/15/889662915.db2.gz RDLXGOQDRVSTMO-UHFFFAOYSA-N 0 1 386.210 3.560 20 5 GHBDMN COc1cc(C(=O)Nc2ccc(Cl)cc2O)c([N+](=O)[O-])cc1OC(F)F ZINC000533159897 889870659 /nfs/dbraw/zinc/87/06/59/889870659.db2.gz DLECMISNFPVWCN-UHFFFAOYSA-N 0 1 388.710 3.816 20 5 GHBDMN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cnc(C(F)(F)F)cc2C)c1F ZINC000811710553 889887072 /nfs/dbraw/zinc/88/70/72/889887072.db2.gz HLDSIGAFCCZAQC-UHFFFAOYSA-N 0 1 393.318 3.565 20 5 GHBDMN O=C(Nc1cccc(-c2nnc[nH]2)c1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000812995421 891195914 /nfs/dbraw/zinc/19/59/14/891195914.db2.gz JGXMDMNDFVDZDQ-UHFFFAOYSA-N 0 1 378.175 3.939 20 5 GHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(OCC3CC3)cc2)c(Cl)c1 ZINC000497955105 892823036 /nfs/dbraw/zinc/82/30/36/892823036.db2.gz GQKPREWUDOYIQN-UHFFFAOYSA-N 0 1 382.825 3.838 20 5 GHBDMN C[C@@H]1CN(C)C[C@H](C)N1C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000533777668 892939936 /nfs/dbraw/zinc/93/99/36/892939936.db2.gz FSDGRNGFEXKQBS-GASCZTMLSA-N 0 1 385.489 3.911 20 5 GHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1Br ZINC000918143251 893219459 /nfs/dbraw/zinc/21/94/59/893219459.db2.gz QXYNDOKIZOPCJY-UHFFFAOYSA-N 0 1 391.630 3.812 20 5 GHBDMN COc1cccc(C[C@H]2CCCN2Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)c1 ZINC000877984295 893928872 /nfs/dbraw/zinc/92/88/72/893928872.db2.gz FQPMQTKGMJTHPP-MRXNPFEDSA-N 0 1 394.431 3.861 20 5 GHBDMN COc1cc(CN2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000459654369 893992476 /nfs/dbraw/zinc/99/24/76/893992476.db2.gz FKQFLEPWIKSVQK-MRXNPFEDSA-N 0 1 388.386 3.784 20 5 GHBDMN CCC(=O)Nc1cccc(CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000537288371 894709831 /nfs/dbraw/zinc/70/98/31/894709831.db2.gz UYKKYQNJVQUMBB-UHFFFAOYSA-N 0 1 393.447 3.634 20 5 GHBDMN CCN(c1ccc(NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)C(C)C ZINC000819396977 896621205 /nfs/dbraw/zinc/62/12/05/896621205.db2.gz FXGAUACTZMKJBU-UHFFFAOYSA-N 0 1 391.493 3.715 20 5 GHBDMN CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C2CCC(C(C)C)CC2)CC1 ZINC001137176479 896746560 /nfs/dbraw/zinc/74/65/60/896746560.db2.gz UFMLSHNKYJOSSZ-UHFFFAOYSA-N 0 1 388.512 3.609 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2cnn(CN3CC4(CCC4)[C@@H]3C3CCOCC3)c2)c1 ZINC000819902166 897044648 /nfs/dbraw/zinc/04/46/48/897044648.db2.gz MTQSVOOLAYQZFC-FQEVSTJZSA-N 0 1 382.464 3.697 20 5 GHBDMN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(-c2cccc(OC)c2)n[nH]1 ZINC000820002231 897107797 /nfs/dbraw/zinc/10/77/97/897107797.db2.gz NHPCQVPPSIHPCT-UHFFFAOYSA-N 0 1 382.376 3.645 20 5 GHBDMN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc2oc(CN3CCCC3)nc2c1 ZINC000820493749 897358068 /nfs/dbraw/zinc/35/80/68/897358068.db2.gz WFWYYUYQGKJFDW-BJMVGYQFSA-N 0 1 392.415 3.984 20 5 GHBDMN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cc(-c2ccccc2O)[nH]n1 ZINC001136400988 897654525 /nfs/dbraw/zinc/65/45/25/897654525.db2.gz GEPNNTYKOXLOPK-UHFFFAOYSA-N 0 1 380.404 3.741 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc2nc(Cl)sc2c1 ZINC000772861816 898663629 /nfs/dbraw/zinc/66/36/29/898663629.db2.gz QAWMBPPFZCHMLI-UHFFFAOYSA-N 0 1 383.838 3.967 20 5 GHBDMN COc1cccc([C@H](CNC(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)N(C)C)c1 ZINC000823596700 899121833 /nfs/dbraw/zinc/12/18/33/899121833.db2.gz SMJQVKSMOHDMHR-SFHVURJKSA-N 0 1 391.855 3.598 20 5 GHBDMN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H](c3ncc(C(F)(F)F)[nH]3)C2)c1 ZINC000332364680 899607762 /nfs/dbraw/zinc/60/77/62/899607762.db2.gz VTBLYDMAVJBJNC-NSHDSACASA-N 0 1 382.342 3.665 20 5 GHBDMN O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCN(C2CCCCC2)CC1 ZINC000332399354 899636751 /nfs/dbraw/zinc/63/67/51/899636751.db2.gz RNNKCNRACLLIKZ-UHFFFAOYSA-N 0 1 385.386 3.704 20 5 GHBDMN Cn1ccnc1[C@@H](NCC[C@]1(C)CC1(Cl)Cl)c1ccc([N+](=O)[O-])cc1 ZINC000824971483 899921123 /nfs/dbraw/zinc/92/11/23/899921123.db2.gz RVWKUJUTQMIAQH-GOEBONIOSA-N 0 1 383.279 3.981 20 5 GHBDMN Cc1cc(N2CCC[N@@H+](CCCc3ccccc3)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000572002626 900031981 /nfs/dbraw/zinc/03/19/81/900031981.db2.gz AKIRRKJZFCFRDX-UHFFFAOYSA-N 0 1 397.475 3.746 20 5 GHBDMN CN(CCCN(C)C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)Cc1ccco1 ZINC000572144261 900077972 /nfs/dbraw/zinc/07/79/72/900077972.db2.gz DYYVELWQHXKNAC-UHFFFAOYSA-N 0 1 399.369 3.801 20 5 GHBDMN O=[N+]([O-])c1cccc([C@H](O)CSc2nc(-c3ccc(Cl)cc3)n[nH]2)c1 ZINC000136847118 900765328 /nfs/dbraw/zinc/76/53/28/900765328.db2.gz AHSRZLYXNCFALW-CQSZACIVSA-N 0 1 376.825 3.859 20 5 GHBDMN CCc1ccc([N+](=O)[O-])cc1NC(=O)NCCN(CC)CCC(F)(F)F ZINC000574125740 900786003 /nfs/dbraw/zinc/78/60/03/900786003.db2.gz NVBLAWVVAOWDLK-UHFFFAOYSA-N 0 1 376.379 3.553 20 5 GHBDMN CCOc1ccc2c(c1)c(=N)c1ccc(N)cc1n2C(=O)CC1CCC(O)CC1 ZINC001144348177 901852930 /nfs/dbraw/zinc/85/29/30/901852930.db2.gz JBOACXJJVSLQTL-UHFFFAOYSA-N 0 1 393.487 3.836 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2nc(CN[C@H]3COc4ccc(F)cc4C3)cs2)c1 ZINC000577022203 902437527 /nfs/dbraw/zinc/43/75/27/902437527.db2.gz RCVOBFAENHQXKF-OAHLLOKOSA-N 0 1 385.420 3.951 20 5 GHBDMN CC(C)[C@H](NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1nc(C2CC2)no1 ZINC000772982399 903832017 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3.680 20 5 GHBDMN CNS(=O)(=O)c1cccc(Nc2ccc3cc4ccc(N)cc4nc3c2)c1 ZINC001174730759 907179572 /nfs/dbraw/zinc/17/95/72/907179572.db2.gz YCQWYNMJBUURNS-UHFFFAOYSA-N 0 1 378.457 3.622 20 5 GHBDMN C[C@@H](C(=O)OCc1ccc(Br)c([N+](=O)[O-])c1)N1[C@H](C)CC[C@@H]1C ZINC000773440372 907358175 /nfs/dbraw/zinc/35/81/75/907358175.db2.gz KEHHHVGLWVJOAF-TUAOUCFPSA-N 0 1 385.258 3.662 20 5 GHBDMN CC[C@@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)c1nc(C(F)(F)F)cs1 ZINC000185982420 907863298 /nfs/dbraw/zinc/86/32/98/907863298.db2.gz VMMAAYIVUCIGGC-NEPJUHHUSA-N 0 1 375.372 3.844 20 5 GHBDMN C[C@@H](NCC(=O)NCC1(c2ccccc2)CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC001176027913 907892340 /nfs/dbraw/zinc/89/23/40/907892340.db2.gz HOHNXTKVEREQBK-QGZVFWFLSA-N 0 1 381.476 3.874 20 5 GHBDMN CC(C)c1ncc(CNC(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)[nH]1 ZINC001179092585 909382075 /nfs/dbraw/zinc/38/20/75/909382075.db2.gz QWVJLOQQNRVCLJ-UHFFFAOYSA-N 0 1 375.187 3.817 20 5 GHBDMN C[C@@H](NCc1cc(Br)c2c(c1)OCCO2)c1ccccc1[N+](=O)[O-] ZINC001179507271 909574880 /nfs/dbraw/zinc/57/48/80/909574880.db2.gz RRDXTMOALLJQLU-LLVKDONJSA-N 0 1 393.237 3.979 20 5 GHBDMN COc1ccc(NC(=O)[C@@H](C)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(OC)c1 ZINC000267652225 909575353 /nfs/dbraw/zinc/57/53/53/909575353.db2.gz MEEFEWBRGJFNGX-ZIAGYGMSSA-N 0 1 387.436 3.598 20 5 GHBDMN COc1ccc(CNc2nc3cc(Br)c(F)cc3[nH]2)cc1[N+](=O)[O-] ZINC001179768150 909695788 /nfs/dbraw/zinc/69/57/88/909695788.db2.gz LJLLBZFVAMFAJL-UHFFFAOYSA-N 0 1 395.188 3.993 20 5 GHBDMN CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000246334626 910239018 /nfs/dbraw/zinc/23/90/18/910239018.db2.gz TVOCJVLMSIEYFU-BZSNNMDCSA-N 0 1 397.258 3.525 20 5 GHBDMN O=C1c2cc([N+](=O)[O-])c(Br)cc2CN1CN(C1CC1)C1CCCC1 ZINC000795409317 910252393 /nfs/dbraw/zinc/25/23/93/910252393.db2.gz RPLLIDXWAFQASZ-UHFFFAOYSA-N 0 1 394.269 3.678 20 5 GHBDMN CC(C)Oc1cc(Br)cc(-c2noc(-c3[nH]cnc3[N+](=O)[O-])n2)c1 ZINC001212893075 911370599 /nfs/dbraw/zinc/37/05/99/911370599.db2.gz LKUQVUFUDCHKLJ-UHFFFAOYSA-N 0 1 394.185 3.585 20 5 GHBDMN Cc1ccc2nc([C@@H]3CCCN(C(=O)c4cc([N+](=O)[O-])c(F)cc4N)C3)[nH]c2c1 ZINC000284284705 911812820 /nfs/dbraw/zinc/81/28/20/911812820.db2.gz FQUUSGBYVFUWRY-GFCCVEGCSA-N 0 1 397.410 3.521 20 5 GHBDMN CN(c1ccccc1)c1ccc(C[N@@H+]2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000901902401 921718363 /nfs/dbraw/zinc/71/83/63/921718363.db2.gz ZMNXABUXMIDBQX-RBUKOAKNSA-N 0 1 395.459 3.905 20 5 GHBDMN CN(C)c1ccc(C2CCN(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)cc1 ZINC000775078543 914982048 /nfs/dbraw/zinc/98/20/48/914982048.db2.gz DMYNXPXYJIWZAP-UHFFFAOYSA-N 0 1 384.436 3.949 20 5 GHBDMN Cc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)N2CCCC2)o1 ZINC000097570388 915702199 /nfs/dbraw/zinc/70/21/99/915702199.db2.gz MEAKAFXEMMCMSN-INIZCTEOSA-N 0 1 377.828 3.717 20 5 GHBDMN CCOc1cccc([C@H](C)NCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000775214019 916329593 /nfs/dbraw/zinc/32/95/93/916329593.db2.gz YFIAFKWXFTXOBW-LBPRGKRZSA-N 0 1 377.828 3.936 20 5 GHBDMN Cc1csc(CNS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)c1 ZINC001190504283 917370729 /nfs/dbraw/zinc/37/07/29/917370729.db2.gz OVBZFTBFAOXRAW-UHFFFAOYSA-N 0 1 381.262 3.750 20 5 GHBDMN O=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000363296263 918048162 /nfs/dbraw/zinc/04/81/62/918048162.db2.gz VCLQUMVKGDECMB-UHFFFAOYSA-N 0 1 391.830 3.782 20 5 GHBDMN O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CCC[C@H](c2nc[nH]n2)C1 ZINC000363312622 918069303 /nfs/dbraw/zinc/06/93/03/918069303.db2.gz MVEYWIHLJRKSPW-AWEZNQCLSA-N 0 1 393.403 3.525 20 5 GHBDMN O=C(COc1ccc([N+](=O)[O-])c(F)c1)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000119750287 919650930 /nfs/dbraw/zinc/65/09/30/919650930.db2.gz FSAZCDYRRDNJTE-UHFFFAOYSA-N 0 1 384.367 3.895 20 5 GHBDMN Cn1cc([C@H](NCc2ccc(Br)c([N+](=O)[O-])c2)C(C)(C)C)cn1 ZINC000748245944 923528015 /nfs/dbraw/zinc/52/80/15/923528015.db2.gz HAGOLMPVBRCLHT-HNNXBMFYSA-N 0 1 381.274 3.968 20 5 GHBDMN COc1cc(S(=O)(=O)Nc2ccccc2NC(C)(C)C)ccc1[N+](=O)[O-] ZINC000410399451 925616508 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GHBDMN Cc1cccc(N2CCN(CCCNc3ncc(Cl)cc3[N+](=O)[O-])CC2)c1 ZINC001306925413 1048961909 /nfs/dbraw/zinc/96/19/09/1048961909.db2.gz OOXJBWGJJHDACT-UHFFFAOYSA-N 0 1 389.887 3.576 20 5 GHBDMN Cc1ccc([C@@H]2CCN(CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C2)c(C)c1 ZINC001307742752 1049554002 /nfs/dbraw/zinc/55/40/02/1049554002.db2.gz UBOFHDWEKQZAEN-GOSISDBHSA-N 0 1 379.460 3.590 20 5 GHBDMN CC(C)OC(=O)C[C@@H](NCc1c(Br)cccc1[N+](=O)[O-])C(C)C ZINC001307883127 1049664498 /nfs/dbraw/zinc/66/44/98/1049664498.db2.gz RCFYYOHLGWTPOX-CQSZACIVSA-N 0 1 387.274 3.813 20 5 GHBDMN CCN(CCNCc1cc([N+](=O)[O-])ccc1OC(F)F)C(=O)OC(C)(C)C ZINC001308239383 1049922823 /nfs/dbraw/zinc/92/28/23/1049922823.db2.gz KJBDUYQVGMLJBO-UHFFFAOYSA-N 0 1 389.399 3.543 20 5 GHBDMN C[C@H](CNCc1cn(-c2ccc(F)cc2Cl)nn1)c1ccccc1[N+](=O)[O-] ZINC001308535223 1050001235 /nfs/dbraw/zinc/00/12/35/1050001235.db2.gz NNRCZPIYFNMXJH-GFCCVEGCSA-N 0 1 389.818 3.861 20 5 GHBDMN C[C@@H](C[C@H](C)NC(=O)OC(C)(C)C)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001308837353 1050115973 /nfs/dbraw/zinc/11/59/73/1050115973.db2.gz WQGXWIKVCYWEJQ-RYUDHWBXSA-N 0 1 378.429 3.517 20 5 GHBDMN CN(CCNC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1)Cc1ccc(F)cc1 ZINC001310261465 1051255716 /nfs/dbraw/zinc/25/57/16/1051255716.db2.gz IOWUKFIHWYKZJV-UHFFFAOYSA-N 0 1 380.807 3.641 20 5 GHBDMN Cc1nn(CN2CCC(Cc3ccc(C)cc3)CC2)c2ncc([N+](=O)[O-])cc12 ZINC001320281707 1055737372 /nfs/dbraw/zinc/73/73/72/1055737372.db2.gz GOWJVTJIPHEYDZ-UHFFFAOYSA-N 0 1 379.464 3.869 20 5 GHBDMN COC(=O)[C@@H]1CCCC[C@]1(C)NCc1ccc([N+](=O)[O-])cc1Br ZINC001320413275 1055791986 /nfs/dbraw/zinc/79/19/86/1055791986.db2.gz VQBURDQCNGXFGY-BBRMVZONSA-N 0 1 385.258 3.569 20 5 GHBDMN NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001320643035 1055912775 /nfs/dbraw/zinc/91/27/75/1055912775.db2.gz LFEFYFMJLKZLHU-OMPKRAJASA-N 0 1 389.839 3.594 20 5 GHBDMN Cc1c(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)ccc2cncn21 ZINC001320889996 1056000693 /nfs/dbraw/zinc/00/06/93/1056000693.db2.gz ULVODAVNRYFHEK-UHFFFAOYSA-N 0 1 375.182 3.566 20 5 GHBDMN Cc1ccc(CN2CCCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)CC2)cc1 ZINC001321706788 1056369798 /nfs/dbraw/zinc/36/97/98/1056369798.db2.gz PNRGEZQKSOKSFH-UHFFFAOYSA-N 0 1 393.443 3.998 20 5 GHBDMN Cn1nccc1C1C[C@H]2CC[C@@H](C1)N2Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848486828 1057122466 /nfs/dbraw/zinc/12/24/66/1057122466.db2.gz JTZRCDXZHPRTLW-ZNXRZULTSA-N 0 1 392.463 3.560 20 5 GHBDMN Cc1ccc(CN2CCCN(C(=O)[C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC001324610892 1057179122 /nfs/dbraw/zinc/17/91/22/1057179122.db2.gz LLCITQHJLGWSGH-SFHVURJKSA-N 0 1 381.476 3.741 20 5 GHBDMN C[C@@H](OC(=O)c1ccc(O)c(Cl)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000848950412 1057451414 /nfs/dbraw/zinc/45/14/14/1057451414.db2.gz RIVBDRNKRSATQB-MRVPVSSYSA-N 0 1 399.186 3.791 20 5 GHBDMN CC(=O)c1cc(F)c(NC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)c(F)c1F ZINC001356589008 1057561017 /nfs/dbraw/zinc/56/10/17/1057561017.db2.gz LKJTYQYOWMPWOY-UHFFFAOYSA-N 0 1 399.300 3.672 20 5 GHBDMN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1nc(-c2cccc(Cl)c2)n[nH]1 ZINC001338346194 1058523663 /nfs/dbraw/zinc/52/36/63/1058523663.db2.gz MXQGFMFUANRCGG-UHFFFAOYSA-N 0 1 396.794 3.627 20 5 GHBDMN O=C(NCc1ccc2nc[nH]c2c1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001449977828 1060497124 /nfs/dbraw/zinc/49/71/24/1060497124.db2.gz HRFUFIBAXNUHAA-UHFFFAOYSA-N 0 1 379.401 3.525 20 5 GHBDMN O=C(Nc1ccc([C@@H]2CCOC2)cc1)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001450360314 1060580852 /nfs/dbraw/zinc/58/08/52/1060580852.db2.gz QJRPAVXWSBJDBN-OAHLLOKOSA-N 0 1 378.388 3.741 20 5 GHBDMN CCCN1CCN(c2ccc(NC(=O)CCC(C)(C)[N+](=O)[O-])cc2Cl)CC1 ZINC001434885578 1062078440 /nfs/dbraw/zinc/07/84/40/1062078440.db2.gz ZZMAREFXFYVEQJ-UHFFFAOYSA-N 0 1 396.919 3.646 20 5 GHBDMN Cc1cc([C@H]2CCCCN2C(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])n[nH]1 ZINC001456382631 1062649792 /nfs/dbraw/zinc/64/97/92/1062649792.db2.gz LDSPSOJNHSOWNA-IUODEOHRSA-N 0 1 392.843 3.801 20 5 GHBDMN Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1ccccc1-c1nc2ccc(C)cc2[nH]1 ZINC001437388116 1063845076 /nfs/dbraw/zinc/84/50/76/1063845076.db2.gz HRIIWQZTGNDAJN-UHFFFAOYSA-N 0 1 390.403 3.590 20 5 GHBDMN O=[N+]([O-])c1ccc(O)cc1CSc1ncnc2c1cnn2Cc1ccccc1 ZINC001458981267 1063974380 /nfs/dbraw/zinc/97/43/80/1063974380.db2.gz XYLWAGVLZIKFQW-UHFFFAOYSA-N 0 1 393.428 3.781 20 5 GHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCc2ccc(C(F)(F)F)cc2C1 ZINC001438358851 1064041822 /nfs/dbraw/zinc/04/18/22/1064041822.db2.gz QIWHQABSNLUXIZ-UHFFFAOYSA-N 0 1 390.321 3.688 20 5 GHBDMN O=C(Nc1n[nH]c2cnc(Br)cc12)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001438517998 1064062525 /nfs/dbraw/zinc/06/25/25/1064062525.db2.gz ZMRIVPGEUZXBJR-UHFFFAOYSA-N 0 1 396.588 3.534 20 5 GHBDMN CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CCN(CC)[C@H](C)C2)cc1OC ZINC001459773198 1064210319 /nfs/dbraw/zinc/21/03/19/1064210319.db2.gz ZGKQMYJGBHMLEN-HZPDHXFCSA-N 0 1 379.501 3.554 20 5 GHBDMN CC(C)c1ccc(C(=O)NC[C@@H](C)N2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC001352081851 1064818716 /nfs/dbraw/zinc/81/87/16/1064818716.db2.gz UVSCHMUWQNLTKI-MRXNPFEDSA-N 0 1 381.476 3.895 20 5 GHBDMN C[C@H]1CC[C@H](c2ccccc2)N(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC001460084787 1068771129 /nfs/dbraw/zinc/77/11/29/1068771129.db2.gz OEHQGYDAGXLSIZ-OXJNMPFZSA-N 0 1 379.460 3.957 20 5 GHBDMN CCOc1ccc(NC(=O)CN2CCCC[C@@H]2CC2CCC2)c([N+](=O)[O-])c1 ZINC001460481354 1068975078 /nfs/dbraw/zinc/97/50/78/1068975078.db2.gz JGMWHEAYJCQMQR-MRXNPFEDSA-N 0 1 375.469 3.977 20 5 GHBDMN Cc1ccc(CN2CC[C@H](NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC001471315212 1073014458 /nfs/dbraw/zinc/01/44/58/1073014458.db2.gz ODZUVFFFDHWHPK-IBGZPJMESA-N 0 1 381.476 3.572 20 5 GHBDMN CCc1[nH]nc(C(=O)N2CC[C@@H](c3ccccc3Cl)C2(C)C)c1[N+](=O)[O-] ZINC001471543017 1073123418 /nfs/dbraw/zinc/12/34/18/1073123418.db2.gz RYFQFMIPFBVGPW-LBPRGKRZSA-N 0 1 376.844 3.942 20 5 GHBDMN CC(C)c1cc([C@H]2CCCN(C(=O)C(F)(F)c3ccc([N+](=O)[O-])cc3)C2)n[nH]1 ZINC001471711599 1073192336 /nfs/dbraw/zinc/19/23/36/1073192336.db2.gz LLJVRLDLIGYIRB-ZDUSSCGKSA-N 0 1 392.406 3.939 20 5 GHBDMN O=[N+]([O-])c1ccc(C(F)(F)F)cc1NCc1n[nH]c(COc2ccccc2)n1 ZINC001472763458 1073654557 /nfs/dbraw/zinc/65/45/57/1073654557.db2.gz PSULUHLLNABIDY-UHFFFAOYSA-N 0 1 393.325 3.923 20 5 GHBDMN CCN1CCN(c2ccc(C(=O)Nc3ccc(C)cc3)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC001472781384 1073663068 /nfs/dbraw/zinc/66/30/68/1073663068.db2.gz JHBVOSOEWRNXMO-INIZCTEOSA-N 0 1 382.464 3.686 20 5 GHBDMN COc1ccc(CN2CC[C@H]2CNc2ccc([N+](=O)[O-])c3cccnc23)cc1 ZINC001472834190 1073686935 /nfs/dbraw/zinc/68/69/35/1073686935.db2.gz SVVPUEHAXWDBQN-INIZCTEOSA-N 0 1 378.432 3.838 20 5 GHBDMN O=[N+]([O-])c1cc(Br)ccc1NC[C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC001472877917 1073708234 /nfs/dbraw/zinc/70/82/34/1073708234.db2.gz GNSUDPCDHSUFRL-BBRMVZONSA-N 0 1 398.301 3.660 20 5 GHBDMN CCCN(CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1C[C@@H](OCC)C12CCCC2 ZINC001473175652 1073832377 /nfs/dbraw/zinc/83/23/77/1073832377.db2.gz NDTCUEVYLRHOEO-RBUKOAKNSA-N 0 1 389.496 3.983 20 5 GHBDMN COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N(C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC001473273868 1073902079 /nfs/dbraw/zinc/90/20/79/1073902079.db2.gz OXKCECKDEITFRD-MRXNPFEDSA-N 0 1 399.230 3.953 20 5 GHBDMN CC1(C)C[C@@H](NCc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(C)(C)O1 ZINC001473408866 1073953118 /nfs/dbraw/zinc/95/31/18/1073953118.db2.gz MXHPSICBRQCHAL-CYBMUJFWSA-N 0 1 380.832 3.734 20 5 GHBDMN COC[C@@H](C)N(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@H]1CCc2ccccc21 ZINC001473691148 1074089914 /nfs/dbraw/zinc/08/99/14/1074089914.db2.gz DJOZADHLQLKCTA-IERDGZPVSA-N 0 1 397.475 3.866 20 5 GHBDMN CC(C)c1cc([C@H]2CCCN(Cc3nnc(-c4ccccc4[N+](=O)[O-])o3)C2)[nH]n1 ZINC001473772642 1074134826 /nfs/dbraw/zinc/13/48/26/1074134826.db2.gz KKCRIFJPEVFMKM-AWEZNQCLSA-N 0 1 396.451 3.871 20 5 GHBDMN CCOc1ccc(NC(=O)CN[C@@H](C)c2ccc(OC)c(C)c2)c([N+](=O)[O-])c1 ZINC001473781493 1074139800 /nfs/dbraw/zinc/13/98/00/1074139800.db2.gz YIOJBUFXMHCVSI-AWEZNQCLSA-N 0 1 387.436 3.600 20 5 GHBDMN CC(C)(CNCc1nc2cc([N+](=O)[O-])ccc2o1)Oc1cc(F)cc(F)c1 ZINC001474516774 1074444872 /nfs/dbraw/zinc/44/48/72/1074444872.db2.gz OVBVYNWQFIYSIJ-UHFFFAOYSA-N 0 1 377.347 3.961 20 5 GHBDMN CC(C)(C)O[C@@H]1C[C@H](NCc2ccc(Cl)cc2[N+](=O)[O-])[C@H]1n1cccn1 ZINC001474528407 1074451898 /nfs/dbraw/zinc/45/18/98/1074451898.db2.gz MAYYNUHOGSWOOZ-USXIJHARSA-N 0 1 378.860 3.732 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N[C@@H](CF)c2ccc(F)cc2)c1 ZINC001475603755 1074925226 /nfs/dbraw/zinc/92/52/26/1074925226.db2.gz IOXRPYTZZAWXBX-LBPRGKRZSA-N 0 1 394.758 3.516 20 5 GHBDMN CC(C)C[N@H+]1Cc2cccc(NC(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)c2C1 ZINC000833487026 604868875 /nfs/dbraw/zinc/86/88/75/604868875.db2.gz AMKBBRUONDOUSN-UHFFFAOYSA-N 0 1 383.404 3.517 20 5 GHBDMN O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CC[C@H]2[C@@H]1CCN2Cc1cccnc1 ZINC001164721768 720376123 /nfs/dbraw/zinc/37/61/23/720376123.db2.gz AYQRNGKMTDIZGS-KBPBESRZSA-N 0 1 394.262 3.545 20 5 GHBDMN O=C([O-])c1ccc([N+](=O)[O-])c(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000583755042 834985021 /nfs/dbraw/zinc/98/50/21/834985021.db2.gz AORFOAOAKSYUTE-AYHJJNSGSA-N 0 1 381.432 3.901 20 5 GHBDMN C[NH+](C)[C@H](CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-])c1ccccc1Cl ZINC000573004314 835200513 /nfs/dbraw/zinc/20/05/13/835200513.db2.gz XBOCBPOGSMBFTI-QGZVFWFLSA-N 0 1 377.828 3.590 20 5 GHBDMN O=C(NCc1ccccc1)[C@@H](NCCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000536211170 835562356 /nfs/dbraw/zinc/56/23/56/835562356.db2.gz VMYBGSWZMLFVDR-QFIPXVFZSA-N 0 1 389.455 3.785 20 5 GHBDMN COc1ccc(CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C2CC2)cc1 ZINC000052866957 835748109 /nfs/dbraw/zinc/74/81/09/835748109.db2.gz VELMZVYKMINGPG-INIZCTEOSA-N 0 1 397.475 3.867 20 5 GHBDMN CCc1ccccc1NC(=O)C[C@H](C)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278703734 835842055 /nfs/dbraw/zinc/84/20/55/835842055.db2.gz NYBBXBMDWIRHES-ZDUSSCGKSA-N 0 1 381.436 3.540 20 5 GHBDMN CCOc1ccccc1[C@@H](CC)NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000179742708 835959193 /nfs/dbraw/zinc/95/91/93/835959193.db2.gz VDBUEWSETNCHLB-GOSISDBHSA-N 0 1 383.448 3.624 20 5 GHBDMN CC(C)Oc1cc(C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000411197870 836093117 /nfs/dbraw/zinc/09/31/17/836093117.db2.gz IAMBXYUBXCXDFS-UHFFFAOYSA-N 0 1 397.475 3.730 20 5 GHBDMN CC(C)Oc1cc(C(=O)N2CCCN(Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000411197870 836093122 /nfs/dbraw/zinc/09/31/22/836093122.db2.gz IAMBXYUBXCXDFS-UHFFFAOYSA-N 0 1 397.475 3.730 20 5 GHBDMN COc1ccc2c(c1)CC[C@@H](N[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)C2 ZINC000612402159 836178453 /nfs/dbraw/zinc/17/84/53/836178453.db2.gz QFYGIMPKMOFLLA-NQIIRXRSSA-N 0 1 392.459 3.573 20 5 GHBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1cncc(-c2ccccc2)c1 ZINC000136732088 836423999 /nfs/dbraw/zinc/42/39/99/836423999.db2.gz NVUVQUHMLPLXJM-UHFFFAOYSA-N 0 1 386.371 3.694 20 5 GHBDMN C[C@@H](NCc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000246974849 836511710 /nfs/dbraw/zinc/51/17/10/836511710.db2.gz JHONDPKCSGSNGC-BRWVUGGUSA-N 0 1 397.475 3.695 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(Br)c(F)c1 ZINC000174648394 836517071 /nfs/dbraw/zinc/51/70/71/836517071.db2.gz ZYWJKWWZNJBAKG-UHFFFAOYSA-N 0 1 389.202 3.606 20 5 GHBDMN Cc1ccc([C@@H](C)NC(=O)NC[C@H](c2cccs2)N(C)C)cc1[N+](=O)[O-] ZINC000175545292 836659494 /nfs/dbraw/zinc/65/94/94/836659494.db2.gz YNBZMGITNOOXAS-CZUORRHYSA-N 0 1 376.482 3.628 20 5 GHBDMN C[C@@H](NCC(=O)Nc1ccc(Br)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000180407681 837227292 /nfs/dbraw/zinc/22/72/92/837227292.db2.gz GTCWNCJIYUSDOA-SNVBAGLBSA-N 0 1 396.216 3.786 20 5 GHBDMN Cc1ccc(NC(=O)CN[C@H](C)c2cccc([N+](=O)[O-])c2)c(Br)c1 ZINC000180439020 837258243 /nfs/dbraw/zinc/25/82/43/837258243.db2.gz VABQUJAORQVDBR-GFCCVEGCSA-N 0 1 392.253 3.955 20 5 GHBDMN COc1ccc([C@@H](NC(=O)CN[C@H](C)c2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000180453626 837280267 /nfs/dbraw/zinc/28/02/67/837280267.db2.gz ZEVZVBHHGJSKGE-SZNDQCEHSA-N 0 1 383.448 3.522 20 5 GHBDMN Cc1ccc(-c2cc(C(=O)Nc3n[nH]c(-c4cccc([N+](=O)[O-])c4)n3)on2)cc1 ZINC000103201735 838376689 /nfs/dbraw/zinc/37/66/89/838376689.db2.gz XZGGKCCIDHAVSS-UHFFFAOYSA-N 0 1 390.359 3.596 20 5 GHBDMN C[C@@H](N[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000189994854 838518306 /nfs/dbraw/zinc/51/83/06/838518306.db2.gz FJNQCLNUTHJDMQ-BFUOFWGJSA-N 0 1 389.402 3.715 20 5 GHBDMN O=C(CN1CC[C@H](C2CC2)C1)Nc1cc(N2CC[C@H](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000535727172 844352034 /nfs/dbraw/zinc/35/20/34/844352034.db2.gz SDKJMNHHDULDSF-ROUUACIJSA-N 0 1 398.507 3.502 20 5 GHBDMN O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3ccc(Cl)c4cccnc34)C2)nc1 ZINC000118866208 838734040 /nfs/dbraw/zinc/73/40/40/838734040.db2.gz OOTJRWHTHMVRCJ-CQSZACIVSA-N 0 1 383.839 3.878 20 5 GHBDMN O=[N+]([O-])c1cc(CN[C@@H]2c3ccccc3CC23CCOCC3)c2c(c1)COCO2 ZINC000290247151 838777663 /nfs/dbraw/zinc/77/76/63/838777663.db2.gz ZTGQWGNQUNHHTE-OAQYLSRUSA-N 0 1 396.443 3.645 20 5 GHBDMN CCCCc1nc2ccc(NC(=O)CN(C)c3ccccc3[N+](=O)[O-])cc2[nH]1 ZINC001125425202 838967598 /nfs/dbraw/zinc/96/75/98/838967598.db2.gz CCRDNGPSTQXZRI-UHFFFAOYSA-N 0 1 381.436 3.889 20 5 GHBDMN O=[N+]([O-])c1ccc(NCc2nc(-c3ccc(F)cc3)n[nH]2)c(Br)c1 ZINC000610410850 839178965 /nfs/dbraw/zinc/17/89/65/839178965.db2.gz GWIZDSGWFFLYQU-UHFFFAOYSA-N 0 1 392.188 3.894 20 5 GHBDMN O=[N+]([O-])c1ccc(NCc2n[nH]c(-c3ccc(F)cc3)n2)c(Br)c1 ZINC000610410850 839178970 /nfs/dbraw/zinc/17/89/70/839178970.db2.gz GWIZDSGWFFLYQU-UHFFFAOYSA-N 0 1 392.188 3.894 20 5 GHBDMN COc1cc(C)c([C@@H](C)N[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1OC ZINC000120175205 839452315 /nfs/dbraw/zinc/45/23/15/839452315.db2.gz CLMBNITWJUYHTE-ZIAGYGMSSA-N 0 1 387.436 3.598 20 5 GHBDMN O=C([O-])c1cc(N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)ccc1[N+](=O)[O-] ZINC000580452345 839582901 /nfs/dbraw/zinc/58/29/01/839582901.db2.gz YSQYTKMWVZXGGG-QFIPXVFZSA-N 0 1 395.459 3.786 20 5 GHBDMN C[C@@H](OC(C)(C)C)[C@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)[O-] ZINC000417581274 841026754 /nfs/dbraw/zinc/02/67/54/841026754.db2.gz FWBRDNXPRKCBKV-PXAZEXFGSA-N 0 1 376.409 3.601 20 5 GHBDMN Cc1ccc2nc([C@@H]3CCCN(c4nc5sccn5c4[N+](=O)[O-])C3)[nH]c2c1 ZINC000302072716 861198394 /nfs/dbraw/zinc/19/83/94/861198394.db2.gz ZKNSHWWANGYBRE-GFCCVEGCSA-N 0 1 382.449 3.873 20 5 GHBDMN Cc1nc(N2CCN(c3cc(C)nc4ccc([N+](=O)[O-])cc43)CC2)sc1C ZINC000302086569 861201501 /nfs/dbraw/zinc/20/15/01/861201501.db2.gz NPDFFNVIOLXZRC-UHFFFAOYSA-N 0 1 383.477 3.851 20 5 GHBDMN CCOc1ccc(CN2CCN(c3ccc4cc([N+](=O)[O-])ccc4n3)CC2)cc1 ZINC000603845346 861263873 /nfs/dbraw/zinc/26/38/73/861263873.db2.gz LCNLYGIQKHGWKO-UHFFFAOYSA-N 0 1 392.459 3.864 20 5 GHBDMN O=[N+]([O-])c1cccc(OCCN2CCC(Oc3ccc(F)cc3F)CC2)c1 ZINC000603850490 861271328 /nfs/dbraw/zinc/27/13/28/861271328.db2.gz KDGGXIZXDDJYIX-UHFFFAOYSA-N 0 1 378.375 3.795 20 5 GHBDMN C[C@@H](CNc1ccc2ncccc2c1[N+](=O)[O-])N1CCN(c2ccccc2)CC1 ZINC000603853714 861275428 /nfs/dbraw/zinc/27/54/28/861275428.db2.gz KHSDIXUFWFWYSD-KRWDZBQOSA-N 0 1 391.475 3.766 20 5 GHBDMN O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N[C@@H]1CCc2nc[nH]c2C1 ZINC000571750653 842780717 /nfs/dbraw/zinc/78/07/17/842780717.db2.gz ZHUMWOFIQNFVER-CQSZACIVSA-N 0 1 393.403 3.789 20 5 GHBDMN Cc1c(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cnn1C1CCCCC1 ZINC000512287111 843312838 /nfs/dbraw/zinc/31/28/38/843312838.db2.gz GEKZTJOFAYASPA-UHFFFAOYSA-N 0 1 395.423 3.642 20 5 GHBDMN O=C(Nc1cccc(-c2n[nH]c3c2CCCC3)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000613895396 843325790 /nfs/dbraw/zinc/32/57/90/843325790.db2.gz XJDNHVKWMXNONP-UHFFFAOYSA-N 0 1 378.388 3.822 20 5 GHBDMN CCOc1cc(CN[C@@H](C)c2cccc(N3CCOC3=O)c2)ccc1[N+](=O)[O-] ZINC000276830329 843411532 /nfs/dbraw/zinc/41/15/32/843411532.db2.gz AWRVCERASOLXNI-AWEZNQCLSA-N 0 1 385.420 3.801 20 5 GHBDMN Cc1ccc(C[NH+]2CCCC2)cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000131485269 861418717 /nfs/dbraw/zinc/41/87/17/861418717.db2.gz CAOFDRUZINLDEZ-UHFFFAOYSA-N 0 1 389.477 3.608 20 5 GHBDMN CC(C)(NCc1ccc(Br)c([N+](=O)[O-])c1)C(=O)Nc1ccccc1 ZINC000731041487 861426027 /nfs/dbraw/zinc/42/60/27/861426027.db2.gz BVONYHUQPIMPNJ-UHFFFAOYSA-N 0 1 392.253 3.864 20 5 GHBDMN CCN(CC)[C@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)c1ccco1 ZINC000128846911 843838945 /nfs/dbraw/zinc/83/89/45/843838945.db2.gz MUIAKSBXPDLZTM-QGZVFWFLSA-N 0 1 382.420 3.549 20 5 GHBDMN CC1(C)C[C@H](N[C@H]2CCN(Cc3ccccc3)C2=O)c2cc([N+](=O)[O-])ccc21 ZINC000433294466 843981753 /nfs/dbraw/zinc/98/17/53/843981753.db2.gz MCQYZOOYHFTFEO-PMACEKPBSA-N 0 1 379.460 3.708 20 5 GHBDMN CC1(C)C[C@@H](N[C@@H]2CCN(Cc3ccccc3)C2=O)c2cc([N+](=O)[O-])ccc21 ZINC000433294469 843981861 /nfs/dbraw/zinc/98/18/61/843981861.db2.gz MCQYZOOYHFTFEO-WOJBJXKFSA-N 0 1 379.460 3.708 20 5 GHBDMN Cc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2-n2cccn2)cc1[N+](=O)[O-] ZINC000603980200 861499582 /nfs/dbraw/zinc/49/95/82/861499582.db2.gz AWUXBJMNOOZLAL-UHFFFAOYSA-N 0 1 392.824 3.543 20 5 GHBDMN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1ccc2c(cnn2C(F)F)c1 ZINC000610955078 844908481 /nfs/dbraw/zinc/90/84/81/844908481.db2.gz PJTXQNJTUJNYBP-UHFFFAOYSA-N 0 1 396.375 3.757 20 5 GHBDMN C[C@H]1CN(Cc2ccc(CNC(=O)Nc3ccc([N+](=O)[O-])cc3)cc2)C[C@H](C)O1 ZINC000047611637 845221412 /nfs/dbraw/zinc/22/14/12/845221412.db2.gz PTWQOOBNVJQANQ-HOTGVXAUSA-N 0 1 398.463 3.526 20 5 GHBDMN CC1(C)CN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CCN1Cc1ccccc1 ZINC000513449088 845472932 /nfs/dbraw/zinc/47/29/32/845472932.db2.gz XNCJGDCRDAELDN-UHFFFAOYSA-N 0 1 397.475 3.558 20 5 GHBDMN COC[C@@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)[C@H]1CCCO1 ZINC000433174076 845584764 /nfs/dbraw/zinc/58/47/64/845584764.db2.gz JQOMRBHQCYVFDE-SJLPKXTDSA-N 0 1 380.828 3.792 20 5 GHBDMN COc1cc(C(=O)Nc2ccc3c(C)[nH]nc3c2)c([N+](=O)[O-])cc1OC(F)F ZINC000538806856 845633335 /nfs/dbraw/zinc/63/33/35/845633335.db2.gz VPWQGHMVEIDBNP-UHFFFAOYSA-N 0 1 392.318 3.642 20 5 GHBDMN CCOc1ccc(NC(=O)CN[C@H](C)c2ccc(F)c(C)c2)c([N+](=O)[O-])c1 ZINC000451160975 846463837 /nfs/dbraw/zinc/46/38/37/846463837.db2.gz HKMQGXLRZLPSCQ-CYBMUJFWSA-N 0 1 375.400 3.730 20 5 GHBDMN C[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000119962611 846572901 /nfs/dbraw/zinc/57/29/01/846572901.db2.gz XSDOTZOAUVGTKC-LLVKDONJSA-N 0 1 378.226 3.647 20 5 GHBDMN C[C@@H](NCC(=O)Nc1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000178647399 848208441 /nfs/dbraw/zinc/20/84/41/848208441.db2.gz UWJJSFLPRZEYPD-LLVKDONJSA-N 0 1 378.226 3.647 20 5 GHBDMN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc2nc(-c3ccco3)[nH]c2c1 ZINC000604182669 861904698 /nfs/dbraw/zinc/90/46/98/861904698.db2.gz GIGIHPKHZNBAPO-UHFFFAOYSA-N 0 1 378.344 3.749 20 5 GHBDMN Cc1ccc([C@@H](C)N[C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)cc1[N+](=O)[O-] ZINC000161531393 848638417 /nfs/dbraw/zinc/63/84/17/848638417.db2.gz FAICPNICDYYAPF-HUUCEWRRSA-N 0 1 391.493 3.565 20 5 GHBDMN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000132188880 861943341 /nfs/dbraw/zinc/94/33/41/861943341.db2.gz GWPBLXQZGNERQH-MRXNPFEDSA-N 0 1 378.392 3.749 20 5 GHBDMN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000132188880 861943351 /nfs/dbraw/zinc/94/33/51/861943351.db2.gz GWPBLXQZGNERQH-MRXNPFEDSA-N 0 1 378.392 3.749 20 5 GHBDMN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000132188685 861943479 /nfs/dbraw/zinc/94/34/79/861943479.db2.gz GWPBLXQZGNERQH-INIZCTEOSA-N 0 1 378.392 3.749 20 5 GHBDMN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000132188685 861943489 /nfs/dbraw/zinc/94/34/89/861943489.db2.gz GWPBLXQZGNERQH-INIZCTEOSA-N 0 1 378.392 3.749 20 5 GHBDMN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000247969501 849083906 /nfs/dbraw/zinc/08/39/06/849083906.db2.gz FKFVDUWTXINRBG-KYNGSXCRSA-N 0 1 385.489 3.637 20 5 GHBDMN COc1c(C(=O)Nc2ccc3nc(-c4ccco4)[nH]c3c2)cccc1[N+](=O)[O-] ZINC000475024826 862065699 /nfs/dbraw/zinc/06/56/99/862065699.db2.gz QDDWEPNETQRIGV-UHFFFAOYSA-N 0 1 378.344 3.992 20 5 GHBDMN CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@@H]3OCC[C@@H]3C2)cc1OC ZINC000518765328 850061365 /nfs/dbraw/zinc/06/13/65/850061365.db2.gz VOPCXTNAPMAFQC-RKVPGOIHSA-N 0 1 378.469 3.639 20 5 GHBDMN CCc1cc(N[C@@H](C)c2n[nH]c([C@H](C)CC)n2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000486794893 850102530 /nfs/dbraw/zinc/10/25/30/850102530.db2.gz ACGWOUJFOIMUQI-OLZOCXBDSA-N 0 1 395.467 3.841 20 5 GHBDMN O=[N+]([O-])c1cc(CN[C@@H]2CCN(c3cccc(Br)c3)C2)cs1 ZINC000487175916 850518599 /nfs/dbraw/zinc/51/85/99/850518599.db2.gz UVQMNIOWPMKJIN-CYBMUJFWSA-N 0 1 382.283 3.787 20 5 GHBDMN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000439901882 850549216 /nfs/dbraw/zinc/54/92/16/850549216.db2.gz NZDCKMRBJLSMBK-MRXNPFEDSA-N 0 1 388.424 3.545 20 5 GHBDMN COc1cc(C(=O)N2CCN(C3CCC(C(C)C)CC3)CC2)ccc1[N+](=O)[O-] ZINC000439986122 850665349 /nfs/dbraw/zinc/66/53/49/850665349.db2.gz CHJYIMNNVRWNTI-UHFFFAOYSA-N 0 1 389.496 3.576 20 5 GHBDMN COc1cc(C=C(Cl)c2nc3cc([N+](=O)[O-])ccc3[nH]2)cc([N+](=O)[O-])c1O ZINC000018064348 850770418 /nfs/dbraw/zinc/77/04/18/850770418.db2.gz MNGIVBNVAPRMAN-WMZJFQQLSA-N 0 1 390.739 3.830 20 5 GHBDMN CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000910376198 851164475 /nfs/dbraw/zinc/16/44/75/851164475.db2.gz XOCLOYMYGHVKRK-QGZVFWFLSA-N 0 1 383.448 3.641 20 5 GHBDMN C[C@H]1C[C@@H](N(C)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000910353318 851167636 /nfs/dbraw/zinc/16/76/36/851167636.db2.gz FDRSKGRQGNWNDR-YJBOKZPZSA-N 0 1 383.448 3.782 20 5 GHBDMN C[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1nc2ccccc2n1C(F)F ZINC000505753191 851182692 /nfs/dbraw/zinc/18/26/92/851182692.db2.gz PAFSLVVWORJTAG-VIFPVBQESA-N 0 1 376.319 3.536 20 5 GHBDMN C[C@@H](c1ccccc1Br)N(C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000505753065 851183398 /nfs/dbraw/zinc/18/33/98/851183398.db2.gz NFQBUOQGLYYIBF-JTQLQIEISA-N 0 1 379.210 3.896 20 5 GHBDMN C[C@@H](CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CCCC[C@H]1C ZINC000436095231 851213321 /nfs/dbraw/zinc/21/33/21/851213321.db2.gz AMKQLJWQPUWHJM-CABCVRRESA-N 0 1 395.478 3.813 20 5 GHBDMN Cc1nc(C)c(-c2csc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)n2)s1 ZINC000505782082 851395785 /nfs/dbraw/zinc/39/57/85/851395785.db2.gz LMCYGGGTXONLIH-UHFFFAOYSA-N 0 1 376.419 3.750 20 5 GHBDMN COc1ccccc1[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCCCC1 ZINC000515782604 851471854 /nfs/dbraw/zinc/47/18/54/851471854.db2.gz RDCGAFCISFZIKR-LJQANCHMSA-N 0 1 398.463 3.952 20 5 GHBDMN CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)N1CCc2ccccc2C1 ZINC000481798243 862289211 /nfs/dbraw/zinc/28/92/11/862289211.db2.gz FEWZENHOPRPYIY-HNNXBMFYSA-N 0 1 399.516 3.883 20 5 GHBDMN Cn1c(C(=O)Nc2ccccc2-c2nc(-c3ccccc3)n[nH]2)ccc1[N+](=O)[O-] ZINC000489123766 852026721 /nfs/dbraw/zinc/02/67/21/852026721.db2.gz XMMKKDOWCDPJBG-UHFFFAOYSA-N 0 1 388.387 3.638 20 5 GHBDMN Cc1ccc(C=Cc2n[nH]c(SCc3nc4cc([N+](=O)[O-])ccc4[nH]3)n2)o1 ZINC000473798700 852061693 /nfs/dbraw/zinc/06/16/93/852061693.db2.gz OLKQCSSLCYEMNR-ALCCZGGFSA-N 0 1 382.405 3.953 20 5 GHBDMN Cc1cc(C(=O)N2CCC(c3ncc(C(F)(F)F)[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000133905893 852096377 /nfs/dbraw/zinc/09/63/77/852096377.db2.gz LHHMLOSOMVZWKD-UHFFFAOYSA-N 0 1 382.342 3.665 20 5 GHBDMN CN(CCOc1ccccc1[N+](=O)[O-])[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000517626247 852167760 /nfs/dbraw/zinc/16/77/60/852167760.db2.gz YKXTZOAFIDOTHA-AEFFLSMTSA-N 0 1 397.258 3.871 20 5 GHBDMN CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000436672103 852170851 /nfs/dbraw/zinc/17/08/51/852170851.db2.gz BWWYUYLILLMJJO-UHFFFAOYSA-N 0 1 380.404 3.921 20 5 GHBDMN O=C(NCCOc1cccc(Cl)c1Cl)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000516189602 852273821 /nfs/dbraw/zinc/27/38/21/852273821.db2.gz SZCMGKYFTVQYKQ-UHFFFAOYSA-N 0 1 395.202 3.587 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CC[C@@H](c2ccccc2C)C1 ZINC000507202071 852651543 /nfs/dbraw/zinc/65/15/43/852651543.db2.gz GIODVJHETHUWRX-JKSUJKDBSA-N 0 1 383.448 3.728 20 5 GHBDMN O=[N+]([O-])c1cccc([C@@H](NC[C@H](O)COc2ccc(F)cc2)c2ccccc2)c1 ZINC000490112812 852760228 /nfs/dbraw/zinc/76/02/28/852760228.db2.gz LNXGZHVKLHDTTA-UNMCSNQZSA-N 0 1 396.418 3.853 20 5 GHBDMN C[C@H](N[C@@H](C)c1ccc(-n2cccn2)c(F)c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000550287629 852999952 /nfs/dbraw/zinc/99/99/52/852999952.db2.gz ITTTVHANTFTFBJ-KBPBESRZSA-N 0 1 397.410 3.597 20 5 GHBDMN Cc1ccc(C[C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c2ccccn2)cc1 ZINC000506472785 853237090 /nfs/dbraw/zinc/23/70/90/853237090.db2.gz UYTPIYYCFHEVDL-FQEVSTJZSA-N 0 1 377.400 3.718 20 5 GHBDMN O=C(NCCOc1ccccc1-c1ccccc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000506109906 853443354 /nfs/dbraw/zinc/44/33/54/853443354.db2.gz WXABFTWNXUKPBY-UHFFFAOYSA-N 0 1 378.384 3.776 20 5 GHBDMN O=C(Nc1ccc(F)c(-c2nc[nH]n2)c1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000439242511 853470777 /nfs/dbraw/zinc/47/07/77/853470777.db2.gz BXZZTQZWRZPQEK-UHFFFAOYSA-N 0 1 383.364 3.986 20 5 GHBDMN C[C@H](N[C@@H](C)c1ccc(OC(F)F)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000044802815 853846400 /nfs/dbraw/zinc/84/64/00/853846400.db2.gz XSPPTFQTSIYDHG-RYUDHWBXSA-N 0 1 379.363 3.874 20 5 GHBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC[C@@H](c3nc4ccccc4o3)C2)c1 ZINC000589494539 854907280 /nfs/dbraw/zinc/90/72/80/854907280.db2.gz XZTBSBMMKANZOG-OAHLLOKOSA-N 0 1 395.415 3.902 20 5 GHBDMN Cc1cc(C2CCN(C(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])CC2)n[nH]1 ZINC000273291047 855160413 /nfs/dbraw/zinc/16/04/13/855160413.db2.gz UWGLQUIALMYXSX-UHFFFAOYSA-N 0 1 394.884 3.778 20 5 GHBDMN CCC[C@H](N[C@@H]1CCCN(Cc2ccccn2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000273307276 855178144 /nfs/dbraw/zinc/17/81/44/855178144.db2.gz VWWGAWVZPWATAE-VQTJNVASSA-N 0 1 382.464 3.612 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2nc(CN[C@@H]3CC[C@@](O)(C(F)(F)F)C3)cs2)c1 ZINC000589938376 855193665 /nfs/dbraw/zinc/19/36/65/855193665.db2.gz NSXOLTHEAWBHGO-ABAIWWIYSA-N 0 1 387.383 3.654 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2ccc(CNCc3ccc(Cn4cncn4)cc3)o2)c1 ZINC000553716967 855336434 /nfs/dbraw/zinc/33/64/34/855336434.db2.gz HIZHLOLSBXXBOR-UHFFFAOYSA-N 0 1 389.415 3.784 20 5 GHBDMN O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1N1CCC(c2nc[nH]n2)CC1 ZINC000301601513 855336680 /nfs/dbraw/zinc/33/66/80/855336680.db2.gz ZWEPKOUNRHQUPB-UHFFFAOYSA-N 0 1 375.738 3.769 20 5 GHBDMN O=C(Nc1c(=O)[nH][nH]c1-c1ccccc1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000590400058 855390817 /nfs/dbraw/zinc/39/08/17/855390817.db2.gz QXJUPFVYEWEWNB-UHFFFAOYSA-N 0 1 379.376 3.517 20 5 GHBDMN COc1cccc(-c2cc(C(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)n[nH]2)c1 ZINC000129558402 855394864 /nfs/dbraw/zinc/39/48/64/855394864.db2.gz ZSUBGYMYQBRUAM-UHFFFAOYSA-N 0 1 392.415 3.798 20 5 GHBDMN CCN(CC)CC(=O)Nc1cccc(NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000553738610 855395873 /nfs/dbraw/zinc/39/58/73/855395873.db2.gz CBYNHSRHJKTSJZ-OAHLLOKOSA-N 0 1 398.463 3.617 20 5 GHBDMN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1cccc(OC)c1)N(C)C ZINC000184655420 855469387 /nfs/dbraw/zinc/46/93/87/855469387.db2.gz NJOJSWBEVXNPTR-UWJYYQICSA-N 0 1 399.491 3.591 20 5 GHBDMN O=C(Nc1nc(-c2ccc3ccccc3n2)n[nH]1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000590557039 855474917 /nfs/dbraw/zinc/47/49/17/855474917.db2.gz YKLDEANMQRIHIJ-UHFFFAOYSA-N 0 1 394.778 3.834 20 5 GHBDMN CC(C)c1nc(CNC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)n[nH]1 ZINC000590768119 855568221 /nfs/dbraw/zinc/56/82/21/855568221.db2.gz NALKLAZDBVKBRU-UHFFFAOYSA-N 0 1 389.481 3.801 20 5 GHBDMN CCc1ccc(C(=O)Nc2nc(-c3cc4ccccc4o3)n[nH]2)cc1[N+](=O)[O-] ZINC000485123761 856138685 /nfs/dbraw/zinc/13/86/85/856138685.db2.gz NELKTRWFRDCLGG-UHFFFAOYSA-N 0 1 377.360 3.941 20 5 GHBDMN CCOC(=O)Cc1ccc(NC[C@@H](c2ccco2)N2CCCC2)c([N+](=O)[O-])c1 ZINC000591890343 856407020 /nfs/dbraw/zinc/40/70/20/856407020.db2.gz FUDWMSGLGSLDAK-SFHVURJKSA-N 0 1 387.436 3.542 20 5 GHBDMN COc1ccccc1[C@@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1C)N1CCCC1 ZINC000043149754 856477611 /nfs/dbraw/zinc/47/76/11/856477611.db2.gz MSTYIRLHJLRRRD-LJQANCHMSA-N 0 1 398.463 3.870 20 5 GHBDMN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(Cl)ccc2N2CCN(C)CC2)c1 ZINC000172684206 856542759 /nfs/dbraw/zinc/54/27/59/856542759.db2.gz ACYDUCKOABKDQK-UHFFFAOYSA-N 0 1 388.855 3.561 20 5 GHBDMN Cc1ccc2nc([C@H]3CCCN3C(=O)CN(C)c3ccccc3[N+](=O)[O-])[nH]c2c1 ZINC000172918054 856660803 /nfs/dbraw/zinc/66/08/03/856660803.db2.gz RNXUNDKLQHQONR-LJQANCHMSA-N 0 1 393.447 3.579 20 5 GHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC[C@H](CSc2ccccc2)C1 ZINC000173250034 856820773 /nfs/dbraw/zinc/82/07/73/856820773.db2.gz PNCGAEMFNYWFAT-ZDUSSCGKSA-N 0 1 382.445 3.726 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000159604252 862852931 /nfs/dbraw/zinc/85/29/31/862852931.db2.gz YXQRIFSSXFOBRH-HNNXBMFYSA-N 0 1 383.452 3.645 20 5 GHBDMN C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000441826492 857139279 /nfs/dbraw/zinc/13/92/79/857139279.db2.gz RJPKTLUDPYZLSL-YESZJQIVSA-N 0 1 389.496 3.616 20 5 GHBDMN COc1ccc(NC(=O)NC[C@H](c2ccc(Cl)cc2)N(C)C)cc1[N+](=O)[O-] ZINC000542957677 857153781 /nfs/dbraw/zinc/15/37/81/857153781.db2.gz RHZTWDPXLDJWMS-MRXNPFEDSA-N 0 1 392.843 3.681 20 5 GHBDMN CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2nc(-c3cccs3)ns2)c1 ZINC000554961362 857198826 /nfs/dbraw/zinc/19/88/26/857198826.db2.gz HEEXZZLAQQNJFB-UHFFFAOYSA-N 0 1 376.419 3.826 20 5 GHBDMN O=C(NCCc1cccs1)C1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000254958268 857262644 /nfs/dbraw/zinc/26/26/44/857262644.db2.gz LECCKPPPZRBYRN-UTCJRWHESA-N 0 1 399.516 3.740 20 5 GHBDMN CCOc1ccc([C@@H](C)N[C@@H](CC)C(=O)NCc2cccs2)cc1[N+](=O)[O-] ZINC000592397125 857336421 /nfs/dbraw/zinc/33/64/21/857336421.db2.gz RKUCSYNJXZMBAS-CJNGLKHVSA-N 0 1 391.493 3.801 20 5 GHBDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)n[nH]1 ZINC000486241612 857566003 /nfs/dbraw/zinc/56/60/03/857566003.db2.gz FTILARKBSDSAQE-DTWKUNHWSA-N 0 1 398.370 3.711 20 5 GHBDMN Cc1onc(OC(F)F)c1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001127992568 857680389 /nfs/dbraw/zinc/68/03/89/857680389.db2.gz SGTSEHZKXYISCQ-UHFFFAOYSA-N 0 1 381.213 3.764 20 5 GHBDMN O=[N+]([O-])c1ccccc1/C=C/CN1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000486434713 857734383 /nfs/dbraw/zinc/73/43/83/857734383.db2.gz PYGVVPUQNQGGQW-MEXJDSSQSA-N 0 1 394.475 3.997 20 5 GHBDMN O=[N+]([O-])c1ccc2c(c1)CN(CCc1nc(-c3ccc(Cl)cc3)no1)CC2 ZINC000131493625 857839679 /nfs/dbraw/zinc/83/96/79/857839679.db2.gz LAICLVAVZLGTHL-UHFFFAOYSA-N 0 1 384.823 3.899 20 5 GHBDMN CCN(C)[C@@H](C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccccc1 ZINC000486734237 858025813 /nfs/dbraw/zinc/02/58/13/858025813.db2.gz TZIMNLDINHDRQC-QGZVFWFLSA-N 0 1 395.381 3.923 20 5 GHBDMN Cc1nn(C(C)(C)C)cc1[C@@H](C)N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000157983170 858068147 /nfs/dbraw/zinc/06/81/47/858068147.db2.gz IYGKHZYOZBJKCU-UKRRQHHQSA-N 0 1 387.484 3.841 20 5 GHBDMN Cc1c(NC(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)cccc1[N+](=O)[O-] ZINC000159778046 862991842 /nfs/dbraw/zinc/99/18/42/862991842.db2.gz BECNFJYBVYMVPW-HNNXBMFYSA-N 0 1 383.452 3.645 20 5 GHBDMN C[C@@H]1CC[C@@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CS1(=O)=O ZINC000594973820 858336213 /nfs/dbraw/zinc/33/62/13/858336213.db2.gz FKZLXXWBDAGEGG-VXGBXAGGSA-N 0 1 398.868 3.564 20 5 GHBDMN COc1ccc(CNCc2cccc(COC[C@H]3CCCO3)c2)cc1[N+](=O)[O-] ZINC000594998061 858361670 /nfs/dbraw/zinc/36/16/70/858361670.db2.gz GANSWPNLXOHIRG-LJQANCHMSA-N 0 1 386.448 3.589 20 5 GHBDMN C[C@H](c1ccccc1)[C@H](O)CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000594999576 858361942 /nfs/dbraw/zinc/36/19/42/858361942.db2.gz BYUSBTRXAUZCPY-AUUYWEPGSA-N 0 1 383.473 3.973 20 5 GHBDMN Cc1ccc2nc([C@H]3CCCN3C(=O)NCCc3ccccc3[N+](=O)[O-])[nH]c2c1 ZINC000466145959 858472909 /nfs/dbraw/zinc/47/29/09/858472909.db2.gz NSCHXJISZGSKFO-LJQANCHMSA-N 0 1 393.447 3.869 20 5 GHBDMN O=[N+]([O-])c1cc(F)ccc1CN1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000595421609 858526253 /nfs/dbraw/zinc/52/62/53/858526253.db2.gz GVPBDYIBSYZEFP-MRXNPFEDSA-N 0 1 381.411 3.899 20 5 GHBDMN C[C@]1(Cc2ccccc2Cl)CCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000595637482 858626016 /nfs/dbraw/zinc/62/60/16/858626016.db2.gz XXGSVAISLYBODH-LJQANCHMSA-N 0 1 375.856 3.507 20 5 GHBDMN CN(CCc1ccc(Br)cc1)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000482676970 858753598 /nfs/dbraw/zinc/75/35/98/858753598.db2.gz KIMMHKVITBNNGJ-UHFFFAOYSA-N 0 1 389.253 3.908 20 5 GHBDMN Cc1c(NC(=O)CCN(Cc2ccco2)C[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000060090388 858847306 /nfs/dbraw/zinc/84/73/06/858847306.db2.gz DBIIDTQWSNIWBF-KRWDZBQOSA-N 0 1 387.436 3.506 20 5 GHBDMN COc1cccc([C@H](CNC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)N(C)C)c1 ZINC000439251844 858851471 /nfs/dbraw/zinc/85/14/71/858851471.db2.gz XKAZOAARJOTNPI-FQEVSTJZSA-N 0 1 385.464 3.760 20 5 GHBDMN COc1ccc(C[C@H](C)NCc2nc(Br)cs2)c([N+](=O)[O-])c1 ZINC001170321336 881355581 /nfs/dbraw/zinc/35/55/81/881355581.db2.gz AILBRZRRCPEJBD-VIFPVBQESA-N 0 1 386.271 3.543 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCc2ccc(Cl)cc2C1 ZINC000153204458 881361364 /nfs/dbraw/zinc/36/13/64/881361364.db2.gz QXPYQNOHKPMDEY-UHFFFAOYSA-N 0 1 389.839 3.644 20 5 GHBDMN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(Br)c(F)c1 ZINC000315791916 858949308 /nfs/dbraw/zinc/94/93/08/858949308.db2.gz UOHIVXGGCXZILB-UHFFFAOYSA-N 0 1 389.202 3.606 20 5 GHBDMN CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN(C)[C@H]2CC[C@H](O)CC2)cc1OC ZINC000439300058 859004481 /nfs/dbraw/zinc/00/44/81/859004481.db2.gz QPZLLRNBVHNRRG-DJIMGWMZSA-N 0 1 380.485 3.764 20 5 GHBDMN C[C@H](C(=O)Nc1nc(-c2ccc(Cl)cc2)n[nH]1)c1ccc([N+](=O)[O-])cc1F ZINC000543617882 859032453 /nfs/dbraw/zinc/03/24/53/859032453.db2.gz IFKFOKRMKWAXPT-VIFPVBQESA-N 0 1 389.774 3.915 20 5 GHBDMN CCc1ccc([C@@H](NCCCN2CCCCC2=O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000544359146 859192826 /nfs/dbraw/zinc/19/28/26/859192826.db2.gz VPRPGAVXQYWJSH-NRFANRHFSA-N 0 1 385.464 3.832 20 5 GHBDMN COc1ccc(C[C@@H](C)N2CCC(Oc3ccc(F)cn3)CC2)c([N+](=O)[O-])c1 ZINC001170355145 881399500 /nfs/dbraw/zinc/39/95/00/881399500.db2.gz VXUFEAAKWGIKDH-CQSZACIVSA-N 0 1 389.427 3.612 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN(Cc1ccc(F)cc1)C(C)(C)C ZINC000474159217 859382838 /nfs/dbraw/zinc/38/28/38/859382838.db2.gz MPDRKEDQLXJXJS-UHFFFAOYSA-N 0 1 389.427 3.982 20 5 GHBDMN Cc1ccncc1[C@@H](C)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000611292120 859684608 /nfs/dbraw/zinc/68/46/08/859684608.db2.gz UFPXRPYIHZYVKI-SECBINFHSA-N 0 1 390.248 3.645 20 5 GHBDMN CCC(=O)N[C@@H]1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000092705108 860109348 /nfs/dbraw/zinc/10/93/48/860109348.db2.gz IGVZHUZXMYWXLN-CYBMUJFWSA-N 0 1 391.855 3.999 20 5 GHBDMN CN1CC[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123854644 860116933 /nfs/dbraw/zinc/11/69/33/860116933.db2.gz ALKYBNXGSSURQE-KSSFIOAISA-N 0 1 391.830 3.810 20 5 GHBDMN Cc1cc(N2CCN(Cc3cccs3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000060858414 860224038 /nfs/dbraw/zinc/22/40/38/860224038.db2.gz YDVVPCRIRDNBQA-UHFFFAOYSA-N 0 1 395.488 3.744 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N2CC[C@H]2c2ccc(Br)cc2)c1[N+](=O)[O-] ZINC000598422395 860297029 /nfs/dbraw/zinc/29/70/29/860297029.db2.gz CWESUVAIOJVIDV-LBPRGKRZSA-N 0 1 393.241 3.791 20 5 GHBDMN O=C(N[C@H]1CCCc2cn[nH]c21)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000484750295 860321311 /nfs/dbraw/zinc/32/13/11/860321311.db2.gz JEBVUQWUZIEZBX-KRWDZBQOSA-N 0 1 377.404 3.869 20 5 GHBDMN COc1cc(CN2CC[C@H](c3ccc4cccnc4n3)C2)c([N+](=O)[O-])cc1F ZINC000602888113 860338896 /nfs/dbraw/zinc/33/88/96/860338896.db2.gz PEUFTUPUWIOTTB-AWEZNQCLSA-N 0 1 382.395 3.675 20 5 GHBDMN COc1cc(CN2CCC[C@@H]2CSC)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000093761092 860345454 /nfs/dbraw/zinc/34/54/54/860345454.db2.gz ABMYBGUYCCEHAV-GFCCVEGCSA-N 0 1 394.415 3.872 20 5 GHBDMN CNC(=O)c1ccc(CNCc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)cc1 ZINC000102421408 860681521 /nfs/dbraw/zinc/68/15/21/860681521.db2.gz FFBXZVQQINFQLC-UHFFFAOYSA-N 0 1 395.415 3.513 20 5 GHBDMN C[C@H](NCC(=O)N1CCC(Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000156277987 860734941 /nfs/dbraw/zinc/73/49/41/860734941.db2.gz MHEOMAYFROGZEA-KRWDZBQOSA-N 0 1 381.476 3.727 20 5 GHBDMN CC1(C)CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCN1Cc1ccccc1 ZINC000609192565 881612659 /nfs/dbraw/zinc/61/26/59/881612659.db2.gz QEXXHTLFRPTUDB-UHFFFAOYSA-N 0 1 392.459 3.813 20 5 GHBDMN O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N1CCN(CC2CC2)CC1 ZINC000522709069 863118470 /nfs/dbraw/zinc/11/84/70/863118470.db2.gz WDHIBWGDKKNJLN-UHFFFAOYSA-N 0 1 396.447 3.947 20 5 GHBDMN Cc1[nH]nc(C(=O)Nc2ccc3nc(-c4ccc(F)cc4)[nH]c3c2)c1[N+](=O)[O-] ZINC000522884134 863642189 /nfs/dbraw/zinc/64/21/89/863642189.db2.gz DBVOSJDRYJJEJJ-UHFFFAOYSA-N 0 1 380.339 3.561 20 5 GHBDMN CCc1[nH]nc(C(=O)N2CCc3cc(Cl)cc(Cl)c3[C@@H]2C)c1[N+](=O)[O-] ZINC000444300128 863838684 /nfs/dbraw/zinc/83/86/84/863838684.db2.gz FKKDEIIZEVGTQI-QMMMGPOBSA-N 0 1 383.235 3.947 20 5 GHBDMN COC(=O)COc1ccc(CN2CCC(c3ccccc3C)CC2)cc1[N+](=O)[O-] ZINC000475102468 864195791 /nfs/dbraw/zinc/19/57/91/864195791.db2.gz SUQZCOATXORBNE-UHFFFAOYSA-N 0 1 398.459 3.835 20 5 GHBDMN CN1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)CC1 ZINC000184794762 864947042 /nfs/dbraw/zinc/94/70/42/864947042.db2.gz ABCFGMLMCATOJN-UHFFFAOYSA-N 0 1 377.510 3.655 20 5 GHBDMN CCN(CC)Cc1ccc(C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)o1 ZINC000608789199 865725175 /nfs/dbraw/zinc/72/51/75/865725175.db2.gz KMEVNAZYWFJBAJ-UHFFFAOYSA-N 0 1 383.408 3.672 20 5 GHBDMN C[C@@H]1CN(Cc2cccc(Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000737413044 866199112 /nfs/dbraw/zinc/19/91/12/866199112.db2.gz YGGZBFHNNQPCDX-ZIAGYGMSSA-N 0 1 386.408 3.856 20 5 GHBDMN COC(=O)COc1ccc(CN(Cc2cccc(F)c2)C(C)C)cc1[N+](=O)[O-] ZINC000475551532 866242890 /nfs/dbraw/zinc/24/28/90/866242890.db2.gz KEYBIYDARHZBNH-UHFFFAOYSA-N 0 1 390.411 3.696 20 5 GHBDMN COC(=O)COc1ccc(C[N@H+]2CCCCC[C@H]2c2ccncc2)cc1[N+](=O)[O-] ZINC000475579404 866414453 /nfs/dbraw/zinc/41/44/53/866414453.db2.gz HEVUHHQFZJHGRD-SFHVURJKSA-N 0 1 399.447 3.659 20 5 GHBDMN COC(=O)COc1ccc(CN2CCCCC[C@H]2c2ccncc2)cc1[N+](=O)[O-] ZINC000475579404 866414458 /nfs/dbraw/zinc/41/44/58/866414458.db2.gz HEVUHHQFZJHGRD-SFHVURJKSA-N 0 1 399.447 3.659 20 5 GHBDMN Cn1cc(CCNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)c2ccc(Cl)cc21 ZINC000444434950 866473388 /nfs/dbraw/zinc/47/33/88/866473388.db2.gz SCDVXSZVCBJBEV-UHFFFAOYSA-N 0 1 397.822 3.589 20 5 GHBDMN COc1ccc2c(c1)CN(C(=O)c1n[nH]c(C)c1[N+](=O)[O-])[C@H](C1CCCCC1)C2 ZINC000444499062 866814723 /nfs/dbraw/zinc/81/47/23/866814723.db2.gz DRNIOUBZAJZHIA-SFHVURJKSA-N 0 1 398.463 3.782 20 5 GHBDMN O=C(Nc1ccc(OC(F)F)c2ncccc12)c1cc(O)cc([N+](=O)[O-])c1 ZINC000475606082 866847528 /nfs/dbraw/zinc/84/75/28/866847528.db2.gz SCKPZYGIDGVULX-UHFFFAOYSA-N 0 1 375.287 3.702 20 5 GHBDMN CCOc1ccc([C@@H](C)N[C@@H](CN2CCOCC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000152670789 866850326 /nfs/dbraw/zinc/85/03/26/866850326.db2.gz WSQXDVJQYXGRCZ-XLIONFOSSA-N 0 1 399.491 3.718 20 5 GHBDMN Cc1ccccc1[C@@H]1C[C@@H](C)N(Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000742149728 867103185 /nfs/dbraw/zinc/10/31/85/867103185.db2.gz PHHZQCPLQPZPPR-SJLPKXTDSA-N 0 1 377.448 3.997 20 5 GHBDMN COc1ccc(C[C@@H]2CCCN(Cn3ncc4ccc([N+](=O)[O-])cc43)C2)cc1 ZINC000742155205 867110513 /nfs/dbraw/zinc/11/05/13/867110513.db2.gz HMDSSCWHIPVREF-KRWDZBQOSA-N 0 1 380.448 3.865 20 5 GHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC(Cc2cc(F)ccc2F)CC1 ZINC000456827817 867216205 /nfs/dbraw/zinc/21/62/05/867216205.db2.gz QNDILZNBFSYTTD-UHFFFAOYSA-N 0 1 376.359 3.674 20 5 GHBDMN Cc1ccccc1[C@@H](CC(F)(F)F)NC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000444784473 867244752 /nfs/dbraw/zinc/24/47/52/867244752.db2.gz NYYYXWRZMGMGLH-GDBMZVCRSA-N 0 1 398.381 3.926 20 5 GHBDMN Cc1cc(C)n(-c2ccccc2NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)n1 ZINC000523727154 867833858 /nfs/dbraw/zinc/83/38/58/867833858.db2.gz FCICJCPFQXNTSY-UHFFFAOYSA-N 0 1 386.433 3.507 20 5 GHBDMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000445245800 868072064 /nfs/dbraw/zinc/07/20/64/868072064.db2.gz WFVBWFQOXOFCRL-UHFFFAOYSA-N 0 1 397.382 3.881 20 5 GHBDMN Cc1cc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c3ncccc23)cc(C)c1F ZINC000462367738 869295927 /nfs/dbraw/zinc/29/59/27/869295927.db2.gz KHNHETQIMRPILR-UHFFFAOYSA-N 0 1 375.381 3.700 20 5 GHBDMN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](c1ccsc1)N(C)C ZINC000462755068 870003535 /nfs/dbraw/zinc/00/35/35/870003535.db2.gz TZMACCIIZXIWHA-MAUKXSAKSA-N 0 1 375.494 3.644 20 5 GHBDMN Cc1ccc([C@H](C)N[C@@H]2CC(=O)N([C@H]3C[C@@H]3c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000540187865 870678454 /nfs/dbraw/zinc/67/84/54/870678454.db2.gz FSELSGDKXALPMT-ZRRCRCOKSA-N 0 1 379.460 3.711 20 5 GHBDMN C[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)[C@@H](C)CN1Cc1ccccc1 ZINC000766439340 870768938 /nfs/dbraw/zinc/76/89/38/870768938.db2.gz BOVYMMPMCFYIAA-CVEARBPZSA-N 0 1 394.475 3.579 20 5 GHBDMN CSc1ccc(OC[C@@H](O)CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC001192929094 870793985 /nfs/dbraw/zinc/79/39/85/870793985.db2.gz MRAJMZHPGQSQNH-SFHVURJKSA-N 0 1 388.489 3.721 20 5 GHBDMN Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)ccc1F ZINC000446989048 870819696 /nfs/dbraw/zinc/81/96/96/870819696.db2.gz BEOUJFYNFHVMDL-UHFFFAOYSA-N 0 1 389.202 3.606 20 5 GHBDMN Cc1sc(C(=O)N2CCC[C@@H](c3nnc(-c4ccccc4)[nH]3)C2)cc1[N+](=O)[O-] ZINC000181357668 870914104 /nfs/dbraw/zinc/91/41/04/870914104.db2.gz GWJFXLMVRUWIMF-CQSZACIVSA-N 0 1 397.460 3.770 20 5 GHBDMN C[C@@H](c1ccccc1)[C@@H](CO)NCc1c(Br)cccc1[N+](=O)[O-] ZINC001168993882 871075544 /nfs/dbraw/zinc/07/55/44/871075544.db2.gz KINNQGYDGVMOTC-BLLLJJGKSA-N 0 1 379.254 3.612 20 5 GHBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC001169111113 871236934 /nfs/dbraw/zinc/23/69/34/871236934.db2.gz HKJOOSUHEYHBAU-KRWDZBQOSA-N 0 1 393.484 3.775 20 5 GHBDMN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cc(F)c(OC(F)F)cc1F ZINC000447274725 871260650 /nfs/dbraw/zinc/26/06/50/871260650.db2.gz OUYMQLJONCFAFU-UHFFFAOYSA-N 0 1 394.302 3.584 20 5 GHBDMN C[C@H](c1ccsc1)N1CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC001169539446 871615469 /nfs/dbraw/zinc/61/54/69/871615469.db2.gz MVZFSTKCPKZWCJ-MRXNPFEDSA-N 0 1 375.494 3.804 20 5 GHBDMN Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000475709361 882537055 /nfs/dbraw/zinc/53/70/55/882537055.db2.gz KLPTVKYPGYXXDV-CYBMUJFWSA-N 0 1 397.431 3.733 20 5 GHBDMN CC[C@H](C)Oc1cc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)ccc1OC ZINC000618821903 872008628 /nfs/dbraw/zinc/00/86/28/872008628.db2.gz XZYIARWQESLJPH-HNNXBMFYSA-N 0 1 388.468 3.814 20 5 GHBDMN CN(C)[C@H](CNc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-])c1ccco1 ZINC000447673408 872075924 /nfs/dbraw/zinc/07/59/24/872075924.db2.gz UCNBHZOPUODBRT-LLVKDONJSA-N 0 1 394.300 3.952 20 5 GHBDMN CN(C)[C@H]1CCOc2c(NC(=O)Cc3ccc([N+](=O)[O-])cc3Cl)cccc21 ZINC000447733298 872218383 /nfs/dbraw/zinc/21/83/83/872218383.db2.gz XSNCXRRPYKITCW-KRWDZBQOSA-N 0 1 389.839 3.815 20 5 GHBDMN C[C@@H](c1ccc(C(F)(F)F)cc1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000609120971 872608225 /nfs/dbraw/zinc/60/82/25/872608225.db2.gz QNSYCDFVGWEMHO-ZDUSSCGKSA-N 0 1 380.370 3.892 20 5 GHBDMN Cc1ccc([C@@H](C)NCc2ccc(S(=O)(=O)C(C)C)cc2)cc1[N+](=O)[O-] ZINC000541024143 872743572 /nfs/dbraw/zinc/74/35/72/872743572.db2.gz KPYUQZRHCYKBQR-OAHLLOKOSA-N 0 1 376.478 3.936 20 5 GHBDMN COC(=O)[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)[C@@H]2CCCC[C@H]12 ZINC001195902987 872744802 /nfs/dbraw/zinc/74/48/02/872744802.db2.gz QMHXPPINQMYEBI-GUDVDZBRSA-N 0 1 390.480 3.936 20 5 GHBDMN O=C(C[N@@H+](C[C@@H]1CCCO1)C1CCCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000152968311 872751633 /nfs/dbraw/zinc/75/16/33/872751633.db2.gz GIAZCLCOFLGIOS-HNNXBMFYSA-N 0 1 381.860 3.610 20 5 GHBDMN O=C(CN(C[C@@H]1CCCO1)C1CCCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000152968311 872751639 /nfs/dbraw/zinc/75/16/39/872751639.db2.gz GIAZCLCOFLGIOS-HNNXBMFYSA-N 0 1 381.860 3.610 20 5 GHBDMN CCc1[nH]nc(C(=O)N2CCC[C@H]2c2ccccc2C(F)(F)F)c1[N+](=O)[O-] ZINC000767857916 872896687 /nfs/dbraw/zinc/89/66/87/872896687.db2.gz OYAKVDUOBVPHDF-ZDUSSCGKSA-N 0 1 382.342 3.876 20 5 GHBDMN Cc1c(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)sc2nc(C)nc(C)c12 ZINC000768150948 873103205 /nfs/dbraw/zinc/10/32/05/873103205.db2.gz NIHXRKKGZANQNU-UHFFFAOYSA-N 0 1 397.504 3.847 20 5 GHBDMN Cc1ccc(NS(=O)(=O)Cc2cc(-c3ccc(F)cc3)no2)cc1[N+](=O)[O-] ZINC000541305391 873329963 /nfs/dbraw/zinc/32/99/63/873329963.db2.gz CEGNOQBRCBARNC-UHFFFAOYSA-N 0 1 391.380 3.639 20 5 GHBDMN Cc1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc(C)c1F ZINC000460420706 873338417 /nfs/dbraw/zinc/33/84/17/873338417.db2.gz CZLPAISKRJUKKO-UHFFFAOYSA-N 0 1 390.339 3.753 20 5 GHBDMN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NC[C@H](c1ccccc1)N1CCCC1 ZINC000448607299 873664788 /nfs/dbraw/zinc/66/47/88/873664788.db2.gz RGPQJVKAXNKMNK-HXUWFJFHSA-N 0 1 395.459 3.511 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)ccc1CN[C@@H](Cc1ccccc1)[C@H](O)C(F)(F)F ZINC001197285432 873712869 /nfs/dbraw/zinc/71/28/69/873712869.db2.gz QDGFPENEWUIJKQ-HOCLYGCPSA-N 0 1 388.773 3.872 20 5 GHBDMN C[C@@H]1CN(C/C=C\c2ccccc2[N+](=O)[O-])CC[C@@H]1NC(=O)OC(C)(C)C ZINC000769421424 874038171 /nfs/dbraw/zinc/03/81/71/874038171.db2.gz BSBKJWIVXCJFGI-OWWQLCIYSA-N 0 1 375.469 3.843 20 5 GHBDMN O=[N+]([O-])c1ccc(N2CCN(CCCSc3ccccc3Cl)CC2)cn1 ZINC000609133224 874131805 /nfs/dbraw/zinc/13/18/05/874131805.db2.gz RZPZSBKGBWWOOA-UHFFFAOYSA-N 0 1 392.912 3.948 20 5 GHBDMN CN(C)c1ccc(C2CCN(CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000775880227 874514753 /nfs/dbraw/zinc/51/47/53/874514753.db2.gz HSHCBNDDWUUGFR-UHFFFAOYSA-N 0 1 396.491 3.503 20 5 GHBDMN CC(C)c1nc2c([nH]1)CC[C@H](C(=O)NCc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000476677933 882836211 /nfs/dbraw/zinc/83/62/11/882836211.db2.gz QRDWJIWJOSRSHD-NSHDSACASA-N 0 1 376.844 3.516 20 5 GHBDMN COc1ccccc1-c1noc([C@H](C)N[C@@H](C)Cc2ccccc2[N+](=O)[O-])n1 ZINC000449278845 874664079 /nfs/dbraw/zinc/66/40/79/874664079.db2.gz MJGHNCXOEUKHFW-KBPBESRZSA-N 0 1 382.420 3.935 20 5 GHBDMN CCN(CC)CC(=O)Nc1cccc(N[C@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000449332529 874716054 /nfs/dbraw/zinc/71/60/54/874716054.db2.gz RWBHYAMNPADUQU-MRXNPFEDSA-N 0 1 384.480 3.918 20 5 GHBDMN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000542209275 875186004 /nfs/dbraw/zinc/18/60/04/875186004.db2.gz AHDCRVFLGYRECW-IAGOWNOFSA-N 0 1 376.840 3.825 20 5 GHBDMN CC[C@H](CNC(=O)c1cc(SC)ccc1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000029911341 875663762 /nfs/dbraw/zinc/66/37/62/875663762.db2.gz CTPZMUAMIIKPAZ-QGZVFWFLSA-N 0 1 399.516 3.883 20 5 GHBDMN Cc1c(NC(=O)[C@H](C)N(C)CCCOc2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000030268910 875949159 /nfs/dbraw/zinc/94/91/59/875949159.db2.gz ZJUAWWGSYZFZDH-HNNXBMFYSA-N 0 1 389.427 3.770 20 5 GHBDMN CN1CC[C@H](NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000450280395 876212746 /nfs/dbraw/zinc/21/27/46/876212746.db2.gz YFRGAEZHBOWBOF-DOTOQJQBSA-N 0 1 393.365 3.789 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@H](NC(=O)OC(C)(C)C)C1CC1 ZINC000850449889 876933673 /nfs/dbraw/zinc/93/36/73/876933673.db2.gz WRTBHXZUKZAYHG-WBMJQRKESA-N 0 1 379.457 3.557 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@@H](C)c1ccc(N2CCCNC2=O)cc1 ZINC000850471067 876949756 /nfs/dbraw/zinc/94/97/56/876949756.db2.gz LUZREYGNTAXVBS-LSDHHAIUSA-N 0 1 398.463 3.935 20 5 GHBDMN CCC[C@@H](C)NC(=O)[C@H]1CCCN(Cc2ccc([N+](=O)[O-])c(OCC)c2)C1 ZINC000492695987 877363799 /nfs/dbraw/zinc/36/37/99/877363799.db2.gz LJNWTFHVWHKDBO-WBVHZDCISA-N 0 1 377.485 3.510 20 5 GHBDMN C[C@H](NCC(=O)N(C)Cc1c(F)cccc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000451099715 877392193 /nfs/dbraw/zinc/39/21/93/877392193.db2.gz MZWUYLPHZZAPJL-LBPRGKRZSA-N 0 1 379.819 3.697 20 5 GHBDMN O=C(NC1CC1)[C@@H](NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000477341171 877464004 /nfs/dbraw/zinc/46/40/04/877464004.db2.gz WQFVZYAHZBEQEO-SFHVURJKSA-N 0 1 391.830 3.539 20 5 GHBDMN Cc1cc(Br)ccc1[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])C(F)(F)F ZINC000851183151 877490209 /nfs/dbraw/zinc/49/02/09/877490209.db2.gz SGNLNWOMXZZABQ-MXWKQRLJSA-N 0 1 382.132 3.569 20 5 GHBDMN COC(=O)COc1ccc(CN(Cc2ccccc2C)C2CC2)cc1[N+](=O)[O-] ZINC000530394497 877699339 /nfs/dbraw/zinc/69/93/39/877699339.db2.gz CRPARWZSIUNOBV-UHFFFAOYSA-N 0 1 384.432 3.620 20 5 GHBDMN COc1cc(CN[C@@H](CCO)c2cccc(C(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000451304718 877779196 /nfs/dbraw/zinc/77/91/96/877779196.db2.gz JEEQNKLXPVTKCC-HNNXBMFYSA-N 0 1 384.354 3.836 20 5 GHBDMN COc1ccc(NC(=O)[C@H](C)N[C@@H](C)c2ccc3c(c2)CCCO3)c([N+](=O)[O-])c1 ZINC000852783133 878599749 /nfs/dbraw/zinc/59/97/49/878599749.db2.gz WYBHVDZPAORUPK-KBPBESRZSA-N 0 1 399.447 3.606 20 5 GHBDMN CN(C)[C@@H](CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000530841193 878636829 /nfs/dbraw/zinc/63/68/29/878636829.db2.gz IPBFJKSRLDRFHG-SFHVURJKSA-N 0 1 390.871 3.693 20 5 GHBDMN C[C@@H](N[C@@H](C)c1ccccc1OC(F)F)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000538145845 878896124 /nfs/dbraw/zinc/89/61/24/878896124.db2.gz QTIVVDSOVZMNBG-NWDGAFQWSA-N 0 1 379.363 3.874 20 5 GHBDMN Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CC[C@@H](CCCO)C2)c([N+](=O)[O-])c1 ZINC000452121916 878969637 /nfs/dbraw/zinc/96/96/37/878969637.db2.gz HCLFTSIGDWKWCZ-DYESRHJHSA-N 0 1 397.475 3.677 20 5 GHBDMN O=C(CN[C@@H](COc1ccccc1)c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000538216349 879033112 /nfs/dbraw/zinc/03/31/12/879033112.db2.gz VVZHQJLJKDKFPY-FQEVSTJZSA-N 0 1 391.427 3.943 20 5 GHBDMN Cc1cc([N+](=O)[O-])c(F)c(C(=O)NC[C@@H](c2cccs2)N2CCCC2)c1F ZINC000854305964 879708726 /nfs/dbraw/zinc/70/87/26/879708726.db2.gz CYISHJVPICWKLZ-ZDUSSCGKSA-N 0 1 395.431 3.810 20 5 GHBDMN O=[N+]([O-])c1cccc([C@@H](NCc2ccc(OCCO)cc2)c2ccccc2)c1 ZINC000494063163 879868118 /nfs/dbraw/zinc/86/81/18/879868118.db2.gz AVOFJNGIRIMWMS-QFIPXVFZSA-N 0 1 378.428 3.845 20 5 GHBDMN COc1cc(C(=O)N[C@H](C)c2nc3ccc(Cl)cc3[nH]2)cc([N+](=O)[O-])c1C ZINC000790630551 879869716 /nfs/dbraw/zinc/86/97/16/879869716.db2.gz LETDMECTHCEHMJ-SNVBAGLBSA-N 0 1 388.811 3.933 20 5 GHBDMN Cc1cc(N2CCC[C@H](c3nncn3C3CC3)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000272802837 880073303 /nfs/dbraw/zinc/07/33/03/880073303.db2.gz FDYZEVWWTXRUMT-AWEZNQCLSA-N 0 1 378.436 3.762 20 5 GHBDMN C[C@@H]1CC[C@H](c2ccccc2)N(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC001170160757 880777995 /nfs/dbraw/zinc/77/79/95/880777995.db2.gz IQALTGRZKQHESZ-OXQOHEQNSA-N 0 1 379.460 3.957 20 5 GHBDMN COc1cccc(-c2nc(C)c(C(=O)Oc3ccc(OC)c([N+](=O)[O-])c3)[nH]2)c1 ZINC000792113643 880905858 /nfs/dbraw/zinc/90/58/58/880905858.db2.gz NFCMKKHJVLBGQS-UHFFFAOYSA-N 0 1 383.360 3.530 20 5 GHBDMN C[C@H](C(=O)N(C)C1CCN(CCC(F)(F)F)CC1)c1cccc([N+](=O)[O-])c1 ZINC000520352592 881032684 /nfs/dbraw/zinc/03/26/84/881032684.db2.gz MLQTWZDLSQVTIH-ZDUSSCGKSA-N 0 1 387.402 3.574 20 5 GHBDMN O=[N+]([O-])c1ccc(CCN2CCN(c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC001168331437 881168513 /nfs/dbraw/zinc/16/85/13/881168513.db2.gz GWTUKKFKPPKXPU-UHFFFAOYSA-N 0 1 379.382 3.978 20 5 GHBDMN COc1ccc(CN(Cn2c3cc([N+](=O)[O-])ccc3oc2=O)[C@@H](C)C2CC2)cc1 ZINC000919945902 881229482 /nfs/dbraw/zinc/22/94/82/881229482.db2.gz QZQSJGYZIYEXOG-AWEZNQCLSA-N 0 1 397.431 3.770 20 5 GHBDMN O=C(Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1)c1cc([N+](=O)[O-])c[nH]1 ZINC000537690908 883155735 /nfs/dbraw/zinc/15/57/35/883155735.db2.gz BRYJTTRXFJYPEI-UHFFFAOYSA-N 0 1 389.240 3.706 20 5 GHBDMN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCS[C@@H](c2ccccc2)C1 ZINC000609800871 883663887 /nfs/dbraw/zinc/66/38/87/883663887.db2.gz ULCYNJRQEOOHBS-LJQANCHMSA-N 0 1 399.472 3.683 20 5 GHBDMN C[C@H](NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000542610661 884166264 /nfs/dbraw/zinc/16/62/64/884166264.db2.gz KWMPWHRCZPMSMP-WTOJCKNJSA-N 0 1 380.404 3.688 20 5 GHBDMN COC(=O)/C=C\c1ccc(NC[C@H](c2ccsc2)N(C)C)c([N+](=O)[O-])c1 ZINC000914571439 884176342 /nfs/dbraw/zinc/17/63/42/884176342.db2.gz RZYFGCHFMWXLJH-XTKXOIQPSA-N 0 1 375.450 3.557 20 5 GHBDMN Cc1cccc2nc(CNC(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)[nH]c21 ZINC000153290004 884465241 /nfs/dbraw/zinc/46/52/41/884465241.db2.gz KVGAPRURRFVVCX-UHFFFAOYSA-N 0 1 391.334 3.703 20 5 GHBDMN C[C@@H](CNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])[N@H+]1CCc2sccc2C1 ZINC000914787536 884792071 /nfs/dbraw/zinc/79/20/71/884792071.db2.gz SVHFOEGRXSGEAV-DXTPNHAXSA-N 0 1 387.461 3.613 20 5 GHBDMN CN(C)[C@H](CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000556474306 885025277 /nfs/dbraw/zinc/02/52/77/885025277.db2.gz HFHSZDLDIHSSBC-GOSISDBHSA-N 0 1 389.883 3.945 20 5 GHBDMN C[C@H](N[C@H]1CCO[C@H]1c1ccc(Cl)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000248954784 885502234 /nfs/dbraw/zinc/50/22/34/885502234.db2.gz BKPIRIJAUXCQQR-IWEFOYFVSA-N 0 1 389.839 3.695 20 5 GHBDMN Cc1ccccc1CN1CCCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000915170158 885934478 /nfs/dbraw/zinc/93/44/78/885934478.db2.gz JDJPTAFJAUIWSE-UHFFFAOYSA-N 0 1 387.867 3.905 20 5 GHBDMN COc1cc(CNc2ccc(C(=O)NC3CCCCC3)cc2)cc([N+](=O)[O-])c1O ZINC000195144634 886470602 /nfs/dbraw/zinc/47/06/02/886470602.db2.gz WANZGWIFEWUCPC-UHFFFAOYSA-N 0 1 399.447 3.984 20 5 GHBDMN Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2n[nH]c(-c3ccccc3)n2)cc1 ZINC000532631688 886587219 /nfs/dbraw/zinc/58/72/19/886587219.db2.gz JSNDUGGRYOJCGR-UHFFFAOYSA-N 0 1 388.387 3.638 20 5 GHBDMN Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2nc(-c3ccccc3)n[nH]2)cc1 ZINC000532631688 886587233 /nfs/dbraw/zinc/58/72/33/886587233.db2.gz JSNDUGGRYOJCGR-UHFFFAOYSA-N 0 1 388.387 3.638 20 5 GHBDMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000193543121 886640147 /nfs/dbraw/zinc/64/01/47/886640147.db2.gz ARSFNGWYUZRLTR-UHFFFAOYSA-N 0 1 383.452 3.607 20 5 GHBDMN C[C@H](NCc1c(F)cc([N+](=O)[O-])cc1F)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000795987998 913136231 /nfs/dbraw/zinc/13/62/31/913136231.db2.gz FUSZHEGUZDZZPQ-QWHCGFSZSA-N 0 1 399.438 3.998 20 5 GHBDMN CCC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000794579538 887494216 /nfs/dbraw/zinc/49/42/16/887494216.db2.gz YSAQZQQYARFSAZ-UHFFFAOYSA-N 0 1 382.825 3.950 20 5 GHBDMN CCC(=O)c1ccc(O)c(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)c1 ZINC000794624444 887693327 /nfs/dbraw/zinc/69/33/27/887693327.db2.gz QFFCZGLRKDXOBE-UHFFFAOYSA-N 0 1 383.404 3.746 20 5 GHBDMN O=C(COc1ccc([N+](=O)[O-])c(F)c1)Nc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000153758005 887697686 /nfs/dbraw/zinc/69/76/86/887697686.db2.gz CKAJKNCGMCWDGS-UHFFFAOYSA-N 0 1 398.272 3.647 20 5 GHBDMN COC(C)(C)c1nsc(NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])n1 ZINC001132225963 888450421 /nfs/dbraw/zinc/45/04/21/888450421.db2.gz WMYYLPWDIUYUGX-UHFFFAOYSA-N 0 1 391.236 3.887 20 5 GHBDMN CC1(C)C[C@H](NCc2ccncc2OC[C@@H]2CCOC2)c2cc([N+](=O)[O-])ccc21 ZINC000287461744 913353525 /nfs/dbraw/zinc/35/35/25/913353525.db2.gz VUOGNBMFKYTGDL-QRWLVFNGSA-N 0 1 397.475 3.917 20 5 GHBDMN COc1cc2c(cc1F)nccc2N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000795055697 889793163 /nfs/dbraw/zinc/79/31/63/889793163.db2.gz AVCPNXFHRYAQSL-UHFFFAOYSA-N 0 1 382.395 3.617 20 5 GHBDMN Cc1nn(CN2CC[C@@]3(C2)CCc2ccccc2O3)c2ccc([N+](=O)[O-])cc12 ZINC000811782005 889955532 /nfs/dbraw/zinc/95/55/32/889955532.db2.gz KPACKVKGGULNSV-OAQYLSRUSA-N 0 1 378.432 3.680 20 5 GHBDMN CCC(=O)c1ccc(O)c(NC(=O)c2cccc([N+](=O)[O-])c2Br)c1 ZINC000812706683 890877524 /nfs/dbraw/zinc/87/75/24/890877524.db2.gz WOOMXHGXWICKIT-UHFFFAOYSA-N 0 1 393.193 3.908 20 5 GHBDMN C[C@H](N[C@@H]1CCCN(C(=O)CCC(F)(F)F)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872069953 891138173 /nfs/dbraw/zinc/13/81/73/891138173.db2.gz ALIPAWIGOGANCN-NWDGAFQWSA-N 0 1 391.365 3.718 20 5 GHBDMN CC(C)c1cc([C@H]2CCCN(c3c([N+](=O)[O-])c(C(F)(F)F)nn3C)C2)[nH]n1 ZINC000872646946 891295311 /nfs/dbraw/zinc/29/53/11/891295311.db2.gz AFBMJEAJWUKBPY-JTQLQIEISA-N 0 1 386.378 3.578 20 5 GHBDMN CCS(=O)(=O)c1cc(Cl)cc(CNCc2cccc([N+](=O)[O-])c2C)c1 ZINC000873130948 891479668 /nfs/dbraw/zinc/47/96/68/891479668.db2.gz MFYBCOYPHPSRSO-UHFFFAOYSA-N 0 1 382.869 3.640 20 5 GHBDMN CC(C)[C@H](c1ccccc1)N(C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000497406381 891521301 /nfs/dbraw/zinc/52/13/01/891521301.db2.gz FVPOOVNBKGLFBR-HXUWFJFHSA-N 0 1 385.420 3.591 20 5 GHBDMN CN(C)[C@@H](CNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1cccs1 ZINC000813370317 891553420 /nfs/dbraw/zinc/55/34/20/891553420.db2.gz FDZPVTIZHQMCSX-LBPRGKRZSA-N 0 1 388.276 3.996 20 5 GHBDMN COc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2C)N2CCCCC2)cc1 ZINC000497694612 892178160 /nfs/dbraw/zinc/17/81/60/892178160.db2.gz XNHJPVZWXSJGFZ-NRFANRHFSA-N 0 1 397.475 3.869 20 5 GHBDMN O=[N+]([O-])c1cccc([C@H](O)C[N@@H+](CCc2ccccn2)Cc2ccc(F)cc2)c1 ZINC000154511331 892516207 /nfs/dbraw/zinc/51/62/07/892516207.db2.gz QFMAZBSADLBNKV-JOCHJYFZSA-N 0 1 395.434 3.907 20 5 GHBDMN COc1cc(CNCC2=CCCOC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000288350116 913739098 /nfs/dbraw/zinc/73/90/98/913739098.db2.gz CAWBVXDNUCMASN-UHFFFAOYSA-N 0 1 384.432 3.619 20 5 GHBDMN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(Sc3ccncc3)cc2)c1 ZINC000194650127 893708444 /nfs/dbraw/zinc/70/84/44/893708444.db2.gz RHYRVEOCFNXCMA-UHFFFAOYSA-N 0 1 387.442 3.942 20 5 GHBDMN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNC[C@@H]1CC2(CO1)CCOCC2 ZINC000877729190 893778660 /nfs/dbraw/zinc/77/86/60/893778660.db2.gz OCNZKXNWWYTSBI-ZDUSSCGKSA-N 0 1 375.252 3.577 20 5 GHBDMN 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C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CCN1Cc1ccccc1 ZINC000156267776 899618932 /nfs/dbraw/zinc/61/89/32/899618932.db2.gz RZHPIHLPAQKQPL-OAHLLOKOSA-N 0 1 387.867 3.985 20 5 GHBDMN O=[N+]([O-])c1ccc(OC(F)F)c(CN2CCC[C@@H]3CC4(CC[C@@H]32)OCCO4)c1 ZINC000825030590 899943814 /nfs/dbraw/zinc/94/38/14/899943814.db2.gz OUBPRPMYRXTWFV-CJNGLKHVSA-N 0 1 398.406 3.704 20 5 GHBDMN C[C@@H]1C[C@@]2(CC[C@@H](CNCc3csc(-c4cccc([N+](=O)[O-])c4)n3)O2)CO1 ZINC000886333070 900939234 /nfs/dbraw/zinc/93/92/34/900939234.db2.gz CISLIRHTSLKIIC-FMEYXAORSA-N 0 1 389.477 3.535 20 5 GHBDMN O=[N+]([O-])c1ccc(CN[C@@H]2c3ccccc3CC23CCOCC3)c([N+](=O)[O-])c1 ZINC000290059199 914502294 /nfs/dbraw/zinc/50/22/94/914502294.db2.gz DZZQBGKLLANMSG-LJQANCHMSA-N 0 1 383.404 3.687 20 5 GHBDMN O=C(NCC1CCN(Cc2ccccc2Cl)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000303251804 914509721 /nfs/dbraw/zinc/50/97/21/914509721.db2.gz BAXZNKJMVMTEAV-UHFFFAOYSA-N 0 1 387.867 3.890 20 5 GHBDMN Cc1cc(N2CCn3c(nnc3C3CCCC3)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000576201146 901800400 /nfs/dbraw/zinc/80/04/00/901800400.db2.gz ONBQZOPZUCZXBR-UHFFFAOYSA-N 0 1 378.436 3.721 20 5 GHBDMN COc1cc(CN2CC[C@@H](c3cccnc3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000576224277 901834381 /nfs/dbraw/zinc/83/43/81/901834381.db2.gz IKBVYIUGFOPHSF-CYBMUJFWSA-N 0 1 379.363 3.589 20 5 GHBDMN COc1cc(-c2nc([C@@H]3CCCN3)no2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000600772876 902893767 /nfs/dbraw/zinc/89/37/67/902893767.db2.gz UBTQMHFKHGYTNY-HNNXBMFYSA-N 0 1 396.403 3.657 20 5 GHBDMN C[C@@H]1C[N@@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CC[C@@H]1C(=O)[O-] ZINC000600798361 902932028 /nfs/dbraw/zinc/93/20/28/902932028.db2.gz ALNBZKCGHNBLCF-QAPCUYQASA-N 0 1 383.448 3.905 20 5 GHBDMN C[C@@H](c1ccncc1)N1CCC(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000139615944 903922718 /nfs/dbraw/zinc/92/27/18/903922718.db2.gz KCUAKYREEFOOFL-ZDUSSCGKSA-N 0 1 388.855 3.599 20 5 GHBDMN CC(C)C1CCC(N2CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)CC2)CC1 ZINC001148942437 904253068 /nfs/dbraw/zinc/25/30/68/904253068.db2.gz MEUGNUAMLHHFQL-UHFFFAOYSA-N 0 1 377.460 3.707 20 5 GHBDMN O=C(CN1CCCC[C@@H]1[C@H]1CCCC[C@H]1O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000578975905 904272709 /nfs/dbraw/zinc/27/27/09/904272709.db2.gz HZOSIUCGABSDJI-QGPMSJSTSA-N 0 1 395.887 3.592 20 5 GHBDMN Cc1cc(N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000579243338 904451391 /nfs/dbraw/zinc/45/13/91/904451391.db2.gz AKZBLFZNLPEEIN-QGZVFWFLSA-N 0 1 383.448 3.560 20 5 GHBDMN C[C@@H](c1ccc(F)cc1)N1CC[C@H](N(C)CCc2ccccc2[N+](=O)[O-])C1=O ZINC000579257823 904458846 /nfs/dbraw/zinc/45/88/46/904458846.db2.gz NXEUTJSGDDSKAW-YWZLYKJASA-N 0 1 385.439 3.570 20 5 GHBDMN O=[N+]([O-])c1ccc2oc(CN3CCC(c4nc5ccccc5[nH]4)CC3)nc2c1 ZINC000177064966 906030453 /nfs/dbraw/zinc/03/04/53/906030453.db2.gz XZVRMLWTDKGLAC-UHFFFAOYSA-N 0 1 377.404 3.992 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C[C@@H](C)NCc2cccnc2Br)c1F ZINC001173182717 906265088 /nfs/dbraw/zinc/26/50/88/906265088.db2.gz KWOOZVWYCSCVIW-SNVBAGLBSA-N 0 1 398.232 3.621 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CCN(C)C[C@@H]2c2ccccc2)c1F ZINC001173186014 906268387 /nfs/dbraw/zinc/26/83/87/906268387.db2.gz QUUFPOKLXNMOLM-DNVCBOLYSA-N 0 1 387.455 3.662 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C[C@@H](C)NCc2c(F)c(F)ccc2OC)c1F ZINC001173189644 906269339 /nfs/dbraw/zinc/26/93/39/906269339.db2.gz PFKHDCXBGWGPJD-SNVBAGLBSA-N 0 1 384.354 3.750 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CCC[C@@H](Oc3cccnc3)C2)c1F ZINC001173189220 906269925 /nfs/dbraw/zinc/26/99/25/906269925.db2.gz JPNBFBVFZGZBNK-GOEBONIOSA-N 0 1 389.427 3.612 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CC[C@H](Oc3cccc(F)c3)C2)c1F ZINC001173192029 906274955 /nfs/dbraw/zinc/27/49/55/906274955.db2.gz HIUQLWLUHLIMMM-CJNGLKHVSA-N 0 1 392.402 3.966 20 5 GHBDMN O=C1CCCCN1C1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000180001713 906653719 /nfs/dbraw/zinc/65/37/19/906653719.db2.gz RRKHKSJEIXBECW-UHFFFAOYSA-N 0 1 383.448 3.832 20 5 GHBDMN CC[C@H](Nc1cccc(CN2CCC[C@@H]2C(N)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000183013362 907312867 /nfs/dbraw/zinc/31/28/67/907312867.db2.gz LHQMGGKVOOXZFT-VQTJNVASSA-N 0 1 382.464 3.608 20 5 GHBDMN C[C@@H](C(=O)OCc1ccc(Br)c([N+](=O)[O-])c1)N1CCCCCC1 ZINC000773444498 907346116 /nfs/dbraw/zinc/34/61/16/907346116.db2.gz ZZHZUMJYMOALJC-LBPRGKRZSA-N 0 1 385.258 3.665 20 5 GHBDMN C[C@@H](C(=O)OCc1ccc(Br)c([N+](=O)[O-])c1)N1[C@H](C)CC[C@H]1C ZINC000773440377 907357200 /nfs/dbraw/zinc/35/72/00/907357200.db2.gz KEHHHVGLWVJOAF-UTUOFQBUSA-N 0 1 385.258 3.662 20 5 GHBDMN CCc1nsc(N2CCCN([C@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)n1 ZINC000245514161 909689456 /nfs/dbraw/zinc/68/94/56/909689456.db2.gz BLYPOWSRMCWGDG-CQSZACIVSA-N 0 1 375.498 3.590 20 5 GHBDMN CCn1cc(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(-c2ccccc2)n1 ZINC001180446791 910146337 /nfs/dbraw/zinc/14/63/37/910146337.db2.gz VOZDCUIYUGNCNE-UHFFFAOYSA-N 0 1 391.475 3.800 20 5 GHBDMN CC(C)C[N@H+]1Cc2cccc(NC(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)c2C1 ZINC000271107717 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GHBDMN CO[C@H]1CS(=O)(=O)C[C@H]1NCc1c2ccccc2c(Cl)c2ccccc21 ZINC001203084124 1023068408 /nfs/dbraw/zinc/06/84/08/1023068408.db2.gz XKYBCGMVLMZMIH-MOPGFXCFSA-N 0 1 389.904 3.548 20 5 GHBDMN COC(=O)c1ccc([C@H](C)Oc2nc(C(F)(F)F)cc(O)c2[N+](=O)[O-])cc1 ZINC001228861836 1033145406 /nfs/dbraw/zinc/14/54/06/1033145406.db2.gz HVKYVWVSPPRPRZ-QMMMGPOBSA-N 0 1 386.282 3.641 20 5 GHBDMN COc1cccc(OC[C@H](C)Oc2nc(C(F)(F)F)cc(O)c2[N+](=O)[O-])c1 ZINC001228860313 1033142955 /nfs/dbraw/zinc/14/29/55/1033142955.db2.gz SUKROVQDXYEZHF-VIFPVBQESA-N 0 1 388.298 3.569 20 5 GHBDMN O=[N+]([O-])c1ccc([C@H](O)CN2CC[C@H](c3cccc(Br)c3)C2)cc1 ZINC000831593546 1024668499 /nfs/dbraw/zinc/66/84/99/1024668499.db2.gz LRSZMFNGKQJQMD-MAUKXSAKSA-N 0 1 391.265 3.880 20 5 GHBDMN C[C@@H](c1ccccn1)N1CC[C@@H](Oc2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC001229086263 1033270963 /nfs/dbraw/zinc/27/09/63/1033270963.db2.gz NZZNDSQYWWBFQL-GXTWGEPZSA-N 0 1 392.253 3.967 20 5 GHBDMN Cc1cc([N+](=O)[O-])cc(C(=O)N2CCN(Cc3ccccc3)C[C@@H](C)C2)c1F 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O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(CNC2(CO)CCCCCCC2)o1 ZINC001308018645 1049767769 /nfs/dbraw/zinc/76/77/69/1049767769.db2.gz UBBITFMJBOVBRJ-UHFFFAOYSA-N 0 1 394.859 3.863 20 5 GHBDMN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC001290312306 1049799037 /nfs/dbraw/zinc/79/90/37/1049799037.db2.gz IBEJJSYPAYIUFQ-INIZCTEOSA-N 0 1 377.441 3.671 20 5 GHBDMN C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC001290893714 1049946065 /nfs/dbraw/zinc/94/60/65/1049946065.db2.gz HPHHQXKDKGAMBD-OAHLLOKOSA-N 0 1 383.448 3.605 20 5 GHBDMN O=C(NCCNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1F ZINC001308325156 1049948890 /nfs/dbraw/zinc/94/88/90/1049948890.db2.gz UFULOFMDOXRJTI-UHFFFAOYSA-N 0 1 383.379 3.514 20 5 GHBDMN COC(=O)NC1CCN(Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CC1 ZINC001330435459 1051009731 /nfs/dbraw/zinc/00/97/31/1051009731.db2.gz WZJNRQDVOSDGCE-UHFFFAOYSA-N 0 1 393.827 3.829 20 5 GHBDMN O=C1O[C@H](CNCc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CN1C1CC1 ZINC001332945985 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GRPUDFCMRHHLPP-UHFFFAOYSA-N 0 1 392.341 3.520 20 5 GHBDMN O=[N+]([O-])c1ccccc1-c1cnn(CN2CC[C@@H](COCc3ccccc3)C2)c1 ZINC000848480568 1057118187 /nfs/dbraw/zinc/11/81/87/1057118187.db2.gz REBJXQWRLMPARG-LJQANCHMSA-N 0 1 392.459 3.955 20 5 GHBDMN C[C@H](OC(=O)c1ccc(O)c(Cl)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000848949640 1057450687 /nfs/dbraw/zinc/45/06/87/1057450687.db2.gz AEDIFEOCHYNSCW-QMMMGPOBSA-N 0 1 399.186 3.791 20 5 GHBDMN O=[N+]([O-])c1ccc(CN[C@@H]2CCc3ccccc3OC2)c(Br)c1 ZINC001327113581 1057599789 /nfs/dbraw/zinc/59/97/89/1057599789.db2.gz NMVYILQFGLZFGB-CQSZACIVSA-N 0 1 377.238 3.841 20 5 GHBDMN CCOC(=O)c1cccc2nc(NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)[nH]c21 ZINC001439999691 1058383235 /nfs/dbraw/zinc/38/32/35/1058383235.db2.gz SZZHYGRSKDMBKR-UHFFFAOYSA-N 0 1 396.403 3.564 20 5 GHBDMN COc1ccc([C@@H]2CCCN2C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)cc1 ZINC001440658575 1058562777 /nfs/dbraw/zinc/56/27/77/1058562777.db2.gz MJBOIBZWJAGOCK-FQEVSTJZSA-N 0 1 392.415 3.971 20 5 GHBDMN COc1ccccc1[C@@H]1CCCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])CC1 ZINC001455097300 1062003044 /nfs/dbraw/zinc/00/30/44/1062003044.db2.gz FLHRXXVOCLGHOD-CQSZACIVSA-N 0 1 386.452 3.860 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)c2ncnc(N3CCN(Cc4ccccc4)CC3)c2c1 ZINC001347048229 1062069582 /nfs/dbraw/zinc/06/95/82/1062069582.db2.gz CKBSKPJVHACBAO-UHFFFAOYSA-N 0 1 383.839 3.514 20 5 GHBDMN CN1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)[C@H](Cc2ccccc2)C1 ZINC001458481527 1063838113 /nfs/dbraw/zinc/83/81/13/1063838113.db2.gz LNUKZSHGNNRVCF-MRXNPFEDSA-N 0 1 379.382 3.977 20 5 GHBDMN Cc1ccc2nc(-c3ccccc3NC(=O)CCn3cc([N+](=O)[O-])cn3)[nH]c2c1 ZINC001437391783 1063846338 /nfs/dbraw/zinc/84/63/38/1063846338.db2.gz IICOYBIITZJRSZ-UHFFFAOYSA-N 0 1 390.403 3.672 20 5 GHBDMN CN(C)CCN(CC1CCCCC1)C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC001464479342 1065035614 /nfs/dbraw/zinc/03/56/14/1065035614.db2.gz VYKXETKJENKDTQ-UHFFFAOYSA-N 0 1 389.496 3.528 20 5 GHBDMN C[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1)N1CCc2ccccc2C1 ZINC001465543303 1065702966 /nfs/dbraw/zinc/70/29/66/1065702966.db2.gz INZCMTPLDDYWFV-ZDUSSCGKSA-N 0 1 388.855 3.817 20 5 GHBDMN O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1ccc(Nc2ccncc2)cc1 ZINC001300212901 1065712917 /nfs/dbraw/zinc/71/29/17/1065712917.db2.gz JGORFUKFPONYAC-UHFFFAOYSA-N 0 1 391.431 3.986 20 5 GHBDMN CN(C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001465969177 1065941286 /nfs/dbraw/zinc/94/12/86/1065941286.db2.gz HRYFQDPTLBRQNH-OAHLLOKOSA-N 0 1 391.830 3.734 20 5 GHBDMN C[C@H](CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)N1CCc2ccccc2C1 ZINC001357359902 1067062754 /nfs/dbraw/zinc/06/27/54/1067062754.db2.gz PDYICFUXSQTSSI-QGZVFWFLSA-N 0 1 393.487 3.580 20 5 GHBDMN O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCCC[C@@H]1Cc1ccccc1F ZINC001460359472 1068940738 /nfs/dbraw/zinc/94/07/38/1068940738.db2.gz YQGPVGSWNWACDC-MSOLQXFVSA-N 0 1 388.439 3.571 20 5 GHBDMN CC[C@@H](c1ccccc1)N1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC001478358059 1078831552 /nfs/dbraw/zinc/83/15/52/1078831552.db2.gz CBKACRUYTGHKLT-NRFANRHFSA-N 0 1 396.491 3.616 20 5 GHBDMN C[C@](CO)(NCc1ccc(OCc2ccncc2)cc1)c1cccc([N+](=O)[O-])c1 ZINC001460617295 1069034404 /nfs/dbraw/zinc/03/44/04/1069034404.db2.gz CNFLNNAVBVYBFB-JOCHJYFZSA-N 0 1 393.443 3.566 20 5 GHBDMN O=c1[nH]ccc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1[N+](=O)[O-] ZINC001472640288 1073591087 /nfs/dbraw/zinc/59/10/87/1073591087.db2.gz DMCNNEGFPCQRJX-UHFFFAOYSA-N 0 1 390.443 3.607 20 5 GHBDMN C[C@H](CNc1ncc([N+](=O)[O-])c2ccccc21)N1CCN(c2ccccc2)CC1 ZINC001472658590 1073601443 /nfs/dbraw/zinc/60/14/43/1073601443.db2.gz NINUCBAVMCJMGE-QGZVFWFLSA-N 0 1 391.475 3.766 20 5 GHBDMN COc1ccc(CN2CC[C@H]2CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)cc1 ZINC001472833787 1073687135 /nfs/dbraw/zinc/68/71/35/1073687135.db2.gz BRRXAKMBHOUUKG-HNNXBMFYSA-N 0 1 393.390 3.891 20 5 GHBDMN COc1c(O)ccc(CN2CCC[C@H]2Cc2cc(F)ccc2F)c1[N+](=O)[O-] ZINC001474586682 1074472553 /nfs/dbraw/zinc/47/25/53/1074472553.db2.gz SPPUJNGBCGVZIQ-HNNXBMFYSA-N 0 1 378.375 3.794 20 5 GHBDMN CCOc1ccc2nc(S[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2c1 ZINC000010732446 204338256 /nfs/dbraw/zinc/33/82/56/204338256.db2.gz AMOAMCMEZKAZSL-NSHDSACASA-N 0 1 386.433 3.989 20 5 GHBDMN CCN1CCN(c2ccc(Cl)cc2NC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000007105995 206220579 /nfs/dbraw/zinc/22/05/79/206220579.db2.gz MPJOZKAHESWVJD-UHFFFAOYSA-N 0 1 388.855 3.642 20 5 GHBDMN O=[N+]([O-])c1cc(CNCc2cccc(-c3ccc(-c4nn[nH]n4)s3)c2)cs1 ZINC000738359655 598888200 /nfs/dbraw/zinc/88/82/00/598888200.db2.gz LHYJHDSVHQPKNG-UHFFFAOYSA-N 0 1 398.473 3.855 20 5 GHBDMN O=C([O-])/C=C/c1ccc(NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000739622408 599960050 /nfs/dbraw/zinc/96/00/50/599960050.db2.gz BAOKIIOUMDFVHT-XSBJJCPUSA-N 0 1 395.459 3.669 20 5 GHBDMN O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000263574820 604680752 /nfs/dbraw/zinc/68/07/52/604680752.db2.gz NZXRGWNFHHPPFV-ZLDLUXBVSA-N 0 1 383.242 3.575 20 5 GHBDMN Cc1ccc2nc(SCCCn3c(=O)oc4ccc([N+](=O)[O-])cc43)[nH]c2c1 ZINC000583522476 834564321 /nfs/dbraw/zinc/56/43/21/834564321.db2.gz IUVLGXWBQQLBES-UHFFFAOYSA-N 0 1 384.417 3.870 20 5 GHBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC000053049572 834569997 /nfs/dbraw/zinc/56/99/97/834569997.db2.gz DWOUMLIVWOJRQZ-OAHLLOKOSA-N 0 1 385.439 3.823 20 5 GHBDMN COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)c2ncccc12 ZINC000584445986 834633993 /nfs/dbraw/zinc/63/39/93/834633993.db2.gz UPZOETVMTJKQMB-UHFFFAOYSA-N 0 1 387.417 3.569 20 5 GHBDMN Cc1cc(F)cc(C(=O)NCC(C)(C)N2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000176789196 834687730 /nfs/dbraw/zinc/68/77/30/834687730.db2.gz VFLMSWIGEUYMIT-UHFFFAOYSA-N 0 1 385.439 3.609 20 5 GHBDMN C[NH+](C)[C@@H](CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-])c1ccccc1Cl ZINC000573004313 835200567 /nfs/dbraw/zinc/20/05/67/835200567.db2.gz XBOCBPOGSMBFTI-KRWDZBQOSA-N 0 1 377.828 3.590 20 5 GHBDMN COc1ccc(NC(=O)CN[C@H](C)c2ccc(OC(C)C)cc2)c([N+](=O)[O-])c1 ZINC000179534906 835868972 /nfs/dbraw/zinc/86/89/72/835868972.db2.gz BJRXKHJNASKNNR-CQSZACIVSA-N 0 1 387.436 3.680 20 5 GHBDMN C[C@@H](N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1cccc(OC(F)F)c1 ZINC000179588916 835887208 /nfs/dbraw/zinc/88/72/08/835887208.db2.gz UEOQSALSPZXUHR-NEPJUHHUSA-N 0 1 379.363 3.874 20 5 GHBDMN COc1ccc(-c2ccc(CN[C@]3(CO)CCc4ccccc43)o2)c([N+](=O)[O-])c1 ZINC000135899424 835928352 /nfs/dbraw/zinc/92/83/52/835928352.db2.gz HYWCCEOCRNMQLG-QFIPXVFZSA-N 0 1 394.427 3.787 20 5 GHBDMN COc1cccc(CC2CCN(C(=O)c3[nH]nc4ccc([N+](=O)[O-])cc43)CC2)c1 ZINC000612335367 836081896 /nfs/dbraw/zinc/08/18/96/836081896.db2.gz NVMHYYAHJIWORF-UHFFFAOYSA-N 0 1 394.431 3.575 20 5 GHBDMN Cn1c2ccccc2nc1[C@H]1CCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411379415 836142589 /nfs/dbraw/zinc/14/25/89/836142589.db2.gz AVJIZXPUZJAGFI-LJQANCHMSA-N 0 1 393.447 3.647 20 5 GHBDMN Cn1c2ccccc2nc1[C@H]1CCCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411379415 836142594 /nfs/dbraw/zinc/14/25/94/836142594.db2.gz AVJIZXPUZJAGFI-LJQANCHMSA-N 0 1 393.447 3.647 20 5 GHBDMN COc1ccc2c(c1)CC[C@H](N[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)C2 ZINC000612402184 836178012 /nfs/dbraw/zinc/17/80/12/836178012.db2.gz UMBQIIGLAZEILO-GHTZIAJQSA-N 0 1 392.459 3.573 20 5 GHBDMN CCOc1cc(CN[C@@H](C)c2ccc3c(c2)O[C@@H](CC)C(=O)N3)ccc1[N+](=O)[O-] ZINC000276954609 844137330 /nfs/dbraw/zinc/13/73/30/844137330.db2.gz USAAROBBIIFSIZ-UGSOOPFHSA-N 0 1 399.447 3.954 20 5 GHBDMN CN(C)[C@@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccccc1 ZINC000024352245 836382397 /nfs/dbraw/zinc/38/23/97/836382397.db2.gz VHDGCKWJXFJACF-QHCPKHFHSA-N 0 1 399.494 3.574 20 5 GHBDMN O=C(Nc1cccc(-c2nnc[nH]2)c1)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000612545704 836389723 /nfs/dbraw/zinc/38/97/23/836389723.db2.gz PYQNAFAXQBGGGJ-UHFFFAOYSA-N 0 1 377.282 3.651 20 5 GHBDMN CCc1[nH]nc(C(=O)N2CCC([C@@H](F)c3ccccc3F)CC2)c1[N+](=O)[O-] ZINC000375991259 836435884 /nfs/dbraw/zinc/43/58/84/836435884.db2.gz HMPWBEIKIPHRBK-OAHLLOKOSA-N 0 1 378.379 3.582 20 5 GHBDMN CSc1ccccc1OC[C@@H](O)CN(Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000411988620 836475075 /nfs/dbraw/zinc/47/50/75/836475075.db2.gz SEAVUFSMYOBMCR-KRWDZBQOSA-N 0 1 390.505 3.967 20 5 GHBDMN O=C(Nc1ccc2nc(C3CCC3)[nH]c2c1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000066645023 836556144 /nfs/dbraw/zinc/55/61/44/836556144.db2.gz NSGNTGORXYDHKQ-UHFFFAOYSA-N 0 1 394.387 3.762 20 5 GHBDMN CC(C)C[C@@H](NS(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000610265065 836958495 /nfs/dbraw/zinc/95/84/95/836958495.db2.gz APUJVXFIAFTFQG-CQSZACIVSA-N 0 1 383.857 3.709 20 5 GHBDMN Cc1nccn1-c1ccc([C@H](C)NCc2cc([N+](=O)[O-])cc3c2OCOC3)cc1 ZINC000175717624 837118175 /nfs/dbraw/zinc/11/81/75/837118175.db2.gz JNJKQXMQOAGCLB-AWEZNQCLSA-N 0 1 394.431 3.806 20 5 GHBDMN COc1ccc(C[C@H]2CCCN(C(=O)c3[nH]nc4ccc([N+](=O)[O-])cc43)C2)cc1 ZINC000579896209 837140707 /nfs/dbraw/zinc/14/07/07/837140707.db2.gz CSBVPWNKPXMRCU-OAHLLOKOSA-N 0 1 394.431 3.575 20 5 GHBDMN C[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N(C)Cc1nc2ccccc2s1 ZINC000180409486 837228368 /nfs/dbraw/zinc/22/83/68/837228368.db2.gz JGNPEUKMWZMDIG-ZIAGYGMSSA-N 0 1 398.488 3.902 20 5 GHBDMN Cc1sc(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)cc1[N+](=O)[O-] ZINC000247213040 837311163 /nfs/dbraw/zinc/31/11/63/837311163.db2.gz CHJGGBPBEBPIMC-BLLLJJGKSA-N 0 1 379.507 3.839 20 5 GHBDMN O=C(Nc1cnn(-c2ccncc2)c1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000683621026 838022374 /nfs/dbraw/zinc/02/23/74/838022374.db2.gz QOCJOBUBNMVJAH-UHFFFAOYSA-N 0 1 381.395 3.514 20 5 GHBDMN CC(C)c1ccc(C(=O)NC2CCN(Cc3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000189059055 838192625 /nfs/dbraw/zinc/19/26/25/838192625.db2.gz QNHDDJOEGABQST-UHFFFAOYSA-N 0 1 382.464 3.508 20 5 GHBDMN Cc1ccc(C2CCN(Cn3cc(-c4ccc([N+](=O)[O-])cc4)cn3)CC2)cn1 ZINC000782941959 838482494 /nfs/dbraw/zinc/48/24/94/838482494.db2.gz NPOITELQKBSECL-UHFFFAOYSA-N 0 1 377.448 3.999 20 5 GHBDMN C[N@@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000549405231 838665150 /nfs/dbraw/zinc/66/51/50/838665150.db2.gz BQEXIFKKBNIPRM-UHFFFAOYSA-N 0 1 384.411 3.894 20 5 GHBDMN O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3ccccc3Oc3cccnc3)C2)nc1 ZINC000118866244 838735374 /nfs/dbraw/zinc/73/53/74/838735374.db2.gz IUXDBCGSQTUJGP-KRWDZBQOSA-N 0 1 391.431 3.864 20 5 GHBDMN O=[N+]([O-])c1ccc(CCCCNc2nc(C(F)(F)F)nc3[nH]cnc32)cc1 ZINC000580276479 839168587 /nfs/dbraw/zinc/16/85/87/839168587.db2.gz DOMSZMVPBCAGKL-UHFFFAOYSA-N 0 1 380.330 3.666 20 5 GHBDMN C[C@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1cccc(F)c1F ZINC000119070615 839450606 /nfs/dbraw/zinc/45/06/06/839450606.db2.gz ZJTNKLHHLFGHOC-QMMMGPOBSA-N 0 1 376.768 3.566 20 5 GHBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@H](CO)[C@H]2C)cc1OC ZINC000412086904 839480616 /nfs/dbraw/zinc/48/06/16/839480616.db2.gz OSWNXAYPYFVHMY-ARFHVFGLSA-N 0 1 380.485 3.621 20 5 GHBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCC[C@H](CO)[C@H]2C)cc1OC ZINC000412086904 839480625 /nfs/dbraw/zinc/48/06/25/839480625.db2.gz OSWNXAYPYFVHMY-ARFHVFGLSA-N 0 1 380.485 3.621 20 5 GHBDMN O=[N+]([O-])c1ccc([O-])cc1CN1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000580846471 840330432 /nfs/dbraw/zinc/33/04/32/840330432.db2.gz MQTPAZPCOLWPEY-RXVVDRJESA-N 0 1 381.476 3.787 20 5 GHBDMN O=C(Nc1ccccc1)[C@H](NCc1cc(O)ccc1[N+](=O)[O-])c1ccccc1 ZINC000549506625 840442381 /nfs/dbraw/zinc/44/23/81/840442381.db2.gz AHCSACWILPEOIF-HXUWFJFHSA-N 0 1 377.400 3.770 20 5 GHBDMN COCCCCN(C)[C@@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000419383535 844567116 /nfs/dbraw/zinc/56/71/16/844567116.db2.gz KVYGTRVKQBMYJQ-HXUWFJFHSA-N 0 1 385.464 3.941 20 5 GHBDMN C[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ncc(-c2ccccc2)o1 ZINC000126290498 840895548 /nfs/dbraw/zinc/89/55/48/840895548.db2.gz WDHNOQCMWBSDLZ-LLVKDONJSA-N 0 1 377.360 3.617 20 5 GHBDMN O=C(c1ccc([O-])cc1)C1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000124680141 841012477 /nfs/dbraw/zinc/01/24/77/841012477.db2.gz JREFKWOQHXGKKN-UHFFFAOYSA-N 0 1 384.432 3.664 20 5 GHBDMN CC(C)(C)C[C@H](NS(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000610261009 841224021 /nfs/dbraw/zinc/22/40/21/841224021.db2.gz QBYAULVRIPUTQH-AWEZNQCLSA-N 0 1 381.429 3.585 20 5 GHBDMN C[C@@H](SCc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000131099337 861194470 /nfs/dbraw/zinc/19/44/70/861194470.db2.gz OOIGZXLTSGCVOG-APWZRJJASA-N 0 1 399.516 3.607 20 5 GHBDMN Cc1cc(N2CCC[C@H](CNC(=O)C(C)(C)C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302137454 861214986 /nfs/dbraw/zinc/21/49/86/861214986.db2.gz DNSCVMFWFJVWSV-OAHLLOKOSA-N 0 1 384.480 3.830 20 5 GHBDMN CCOc1ccc(C(=O)Nc2ccc3nc([C@H]4CCCO4)[nH]c3c2)cc1[N+](=O)[O-] ZINC000109021030 841768218 /nfs/dbraw/zinc/76/82/18/841768218.db2.gz VNXBKUFTDLHPJL-GOSISDBHSA-N 0 1 396.403 3.974 20 5 GHBDMN C[C@H](NCCOc1ccc([N+](=O)[O-])cc1)c1ncc(Br)cc1F ZINC000548306304 842522287 /nfs/dbraw/zinc/52/22/87/842522287.db2.gz QZECORFKYQVRHK-JTQLQIEISA-N 0 1 384.205 3.621 20 5 GHBDMN Cn1nccc1[C@H]1CCCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000510676440 843172020 /nfs/dbraw/zinc/17/20/20/843172020.db2.gz XSKIKXWKKSZRHI-HNNXBMFYSA-N 0 1 383.477 3.831 20 5 GHBDMN COc1ccc(CSCc2nc(-c3ccn4cncc4c3)no2)cc1[N+](=O)[O-] ZINC000351087418 861411788 /nfs/dbraw/zinc/41/17/88/861411788.db2.gz NOFVFAUVLQYGCX-UHFFFAOYSA-N 0 1 397.416 3.735 20 5 GHBDMN Cc1nn(C)c(C(=O)Nc2ccc3nc(-c4ccc(F)cc4)[nH]c3c2)c1[N+](=O)[O-] ZINC000098098723 843399197 /nfs/dbraw/zinc/39/91/97/843399197.db2.gz IMZSKDFMWVNUMW-UHFFFAOYSA-N 0 1 394.366 3.571 20 5 GHBDMN O=[N+]([O-])c1cc(CNCc2ccccc2N2CCOCC2)cc(C(F)(F)F)c1 ZINC000278871625 843415282 /nfs/dbraw/zinc/41/52/82/843415282.db2.gz YPCHZSZBAJZVBA-UHFFFAOYSA-N 0 1 395.381 3.740 20 5 GHBDMN C[C@H]1CN(c2cccc3cnccc32)CCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000549613473 843597186 /nfs/dbraw/zinc/59/71/86/843597186.db2.gz HQDXPRZVFBNYBX-HNNXBMFYSA-N 0 1 378.432 3.559 20 5 GHBDMN CCc1nn(C)c(NC[C@H](c2ccc(OC)cc2)N2CCCCC2)c1[N+](=O)[O-] ZINC000512908292 843975868 /nfs/dbraw/zinc/97/58/68/843975868.db2.gz ASGIQYRZYQVKRT-GOSISDBHSA-N 0 1 387.484 3.538 20 5 GHBDMN COC(=O)c1ccc(CN[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc1OC ZINC000433300651 843986878 /nfs/dbraw/zinc/98/68/78/843986878.db2.gz TZAIUUZQHBJCCA-GOSISDBHSA-N 0 1 384.432 3.902 20 5 GHBDMN Cc1ccc(Oc2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cn2)cc1 ZINC000603979341 861497872 /nfs/dbraw/zinc/49/78/72/861497872.db2.gz QXCLMHPQDDVHSP-UHFFFAOYSA-N 0 1 385.401 3.891 20 5 GHBDMN Cc1c(Cl)cc(S(=O)(=O)Nc2cccc(OC(F)F)c2)cc1[N+](=O)[O-] ZINC000603982322 861502134 /nfs/dbraw/zinc/50/21/34/861502134.db2.gz GXOQDTJNXMDTEP-UHFFFAOYSA-N 0 1 392.767 3.959 20 5 GHBDMN CCN(Cc1ccccc1)C(=O)CN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433158622 845541996 /nfs/dbraw/zinc/54/19/96/845541996.db2.gz KEDKXPBJJNFTDF-HXUWFJFHSA-N 0 1 381.476 3.956 20 5 GHBDMN COc1cccc(C=C2CCN(C(=O)c3n[nH]c(C(C)C)c3[N+](=O)[O-])CC2)c1 ZINC000433978204 845680325 /nfs/dbraw/zinc/68/03/25/845680325.db2.gz ZAMGBCVFFHLMGE-UHFFFAOYSA-N 0 1 384.436 3.770 20 5 GHBDMN CCCOc1ccc([C@@H](C)NCC(=O)Nc2ccccc2[N+](=O)[O-])cc1OC ZINC000539254591 846050058 /nfs/dbraw/zinc/05/00/58/846050058.db2.gz XTPOTYWWZCNKSY-CQSZACIVSA-N 0 1 387.436 3.682 20 5 GHBDMN CCO[C@@H]1C[C@H](N(C)Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C12CCCCC2 ZINC001167540026 846108139 /nfs/dbraw/zinc/10/81/39/846108139.db2.gz UICFAZBVYMRYPU-RBUKOAKNSA-N 0 1 390.480 3.941 20 5 GHBDMN CC[C@@H]1C[C@@]1(NCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1cccc(C)c1 ZINC000502532800 846192985 /nfs/dbraw/zinc/19/29/85/846192985.db2.gz WVRHLYIECBCGAV-VFNWGFHPSA-N 0 1 383.448 3.765 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2ccc(CN3CC[C@@]34CCOC4)o2)c(Br)c1 ZINC000421401177 846194527 /nfs/dbraw/zinc/19/45/27/846194527.db2.gz TTYNCLMYGMHSPB-KRWDZBQOSA-N 0 1 393.237 3.982 20 5 GHBDMN COc1ccc(CCCN(C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1 ZINC000072014219 846198024 /nfs/dbraw/zinc/19/80/24/846198024.db2.gz AMUGPHVXVBTTHI-UHFFFAOYSA-N 0 1 382.420 3.718 20 5 GHBDMN O=C([O-])[C@@H]1CC[N@@H+](Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000263420114 846212734 /nfs/dbraw/zinc/21/27/34/846212734.db2.gz 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KYGPQTASFDJHQZ-UHFFFAOYSA-N 0 1 386.452 3.502 20 5 GHBDMN CCCN1Cc2cccc(N[C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)c2C1 ZINC000067453077 858574773 /nfs/dbraw/zinc/57/47/73/858574773.db2.gz BCYCSEAEZOGFGX-HXUWFJFHSA-N 0 1 380.448 3.538 20 5 GHBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC([C@@H]2CCCCO2)CC1 ZINC000595788928 858688987 /nfs/dbraw/zinc/68/89/87/858688987.db2.gz OJLPMULHYYCPKE-KDOFPFPSSA-N 0 1 386.452 3.987 20 5 GHBDMN CS(=O)(=O)c1cccc(Sc2nc3ccc(Cl)cc3[nH]2)c1[N+](=O)[O-] ZINC000301906981 858736910 /nfs/dbraw/zinc/73/69/10/858736910.db2.gz QXIOCRBQCFOKFV-UHFFFAOYSA-N 0 1 383.838 3.679 20 5 GHBDMN CCN(CC)[C@@H](CNc1ccc([N+](=O)[O-])c(C(N)=O)c1)c1ccccc1Cl ZINC000596056059 858759235 /nfs/dbraw/zinc/75/92/35/858759235.db2.gz VXPXVZXZKOOJDE-SFHVURJKSA-N 0 1 390.871 3.842 20 5 GHBDMN O=C1[C@@H](NCc2ccc([N+](=O)[O-])cc2)CCN1c1ccccc1C(F)(F)F ZINC000184995669 858811299 /nfs/dbraw/zinc/81/12/99/858811299.db2.gz GYLICLMMFTUDHB-HNNXBMFYSA-N 0 1 379.338 3.509 20 5 GHBDMN CN(C)C[C@H](NC(=O)c1csc([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC001170320234 881352899 /nfs/dbraw/zinc/35/28/99/881352899.db2.gz HNKSCWZCWJPLFB-ZDUSSCGKSA-N 0 1 387.383 3.708 20 5 GHBDMN Cc1cccc(S(=O)(=O)CCCSCc2cc(O)ccc2[N+](=O)[O-])c1 ZINC000593198982 858940246 /nfs/dbraw/zinc/94/02/46/858940246.db2.gz OFHLOJYSPVKTEN-UHFFFAOYSA-N 0 1 381.475 3.706 20 5 GHBDMN CCCc1noc(C2CCN([C@@H](C)Cc3ccc(OC)cc3[N+](=O)[O-])CC2)n1 ZINC001170352899 881388138 /nfs/dbraw/zinc/38/81/38/881388138.db2.gz UAEUPMUACNGTMX-AWEZNQCLSA-N 0 1 388.468 3.750 20 5 GHBDMN COc1ccc(NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)c2cccnc12 ZINC000543643194 859180383 /nfs/dbraw/zinc/18/03/83/859180383.db2.gz ZUKFDHLQQYWRIY-UHFFFAOYSA-N 0 1 387.417 3.569 20 5 GHBDMN Cc1ccc(Cc2ccccn2)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000509382788 859246897 /nfs/dbraw/zinc/24/68/97/859246897.db2.gz AEAIBKUAMWWVHT-UHFFFAOYSA-N 0 1 383.429 3.690 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2nc(CN[C@H]3CCN(c4ncccc4F)C3)cs2)c1 ZINC000153928035 859257139 /nfs/dbraw/zinc/25/71/39/859257139.db2.gz UHBJPSUJXILTOV-AWEZNQCLSA-N 0 1 399.451 3.621 20 5 GHBDMN CCCOc1ccc(C(C)(C)NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000483282875 859270436 /nfs/dbraw/zinc/27/04/36/859270436.db2.gz WZQKWRUOWGNYIE-UHFFFAOYSA-N 0 1 397.475 3.798 20 5 GHBDMN COc1ccc(C[C@@H](C)N2C[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC001170355638 881404636 /nfs/dbraw/zinc/40/46/36/881404636.db2.gz NIXLXROAYCGLEF-FMKPAKJESA-N 0 1 393.484 3.522 20 5 GHBDMN O=C(N[C@@H]1CC[N@H+](C2CC2)C1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000611202206 859648363 /nfs/dbraw/zinc/64/83/63/859648363.db2.gz QECYVCLQMCUILZ-CYBMUJFWSA-N 0 1 375.494 3.596 20 5 GHBDMN O=C(N[C@@H]1CCN(C2CC2)C1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000611202206 859648371 /nfs/dbraw/zinc/64/83/71/859648371.db2.gz QECYVCLQMCUILZ-CYBMUJFWSA-N 0 1 375.494 3.596 20 5 GHBDMN C[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H](C)CN1Cc1ccccc1 ZINC000611236039 859658003 /nfs/dbraw/zinc/65/80/03/859658003.db2.gz NNRUAXMGLRUZIS-CVEARBPZSA-N 0 1 380.448 3.831 20 5 GHBDMN COCCCCN(Cc1ccccc1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611265540 859672712 /nfs/dbraw/zinc/67/27/12/859672712.db2.gz LPTLOAIPPIIADT-UHFFFAOYSA-N 0 1 386.448 3.795 20 5 GHBDMN COc1cc(CNCc2ccc([N+](=O)[O-])cc2)cc(Br)c1OC ZINC000237318144 859747152 /nfs/dbraw/zinc/74/71/52/859747152.db2.gz PZFGGSUSWOKTLI-UHFFFAOYSA-N 0 1 381.226 3.664 20 5 GHBDMN COC(=O)COc1ccc(CN[C@H]2CCc3cc(Cl)ccc32)cc1[N+](=O)[O-] ZINC000474355781 859910704 /nfs/dbraw/zinc/91/07/04/859910704.db2.gz STSNEDMKRARLJE-INIZCTEOSA-N 0 1 390.823 3.577 20 5 GHBDMN COC(=O)c1cc([N+](=O)[O-])c(NC[C@@H](c2ccsc2)N(C)C)cc1Cl ZINC000765467530 859982849 /nfs/dbraw/zinc/98/28/49/859982849.db2.gz XSRDXDQPSMZMRK-HNNXBMFYSA-N 0 1 383.857 3.811 20 5 GHBDMN Cc1ccc(-c2n[nH]c(NC(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)c2C)o1 ZINC000161469790 859986139 /nfs/dbraw/zinc/98/61/39/859986139.db2.gz CFWYQLPOBWQTAY-UHFFFAOYSA-N 0 1 392.375 3.633 20 5 GHBDMN COc1ccc([C@@H]2CCCN2C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)cc1F ZINC000598197082 860142191 /nfs/dbraw/zinc/14/21/91/860142191.db2.gz NOOJKFYRRNFYAN-INIZCTEOSA-N 0 1 384.367 3.596 20 5 GHBDMN O=C(NCc1nc2ccc(F)cc2[nH]1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000124207024 860270674 /nfs/dbraw/zinc/27/06/74/860270674.db2.gz GJLONROOZQTFEU-UHFFFAOYSA-N 0 1 382.273 3.559 20 5 GHBDMN CCCOC(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000727797625 860275829 /nfs/dbraw/zinc/27/58/29/860275829.db2.gz QBTWYXIFSLAUFP-UHFFFAOYSA-N 0 1 398.824 3.616 20 5 GHBDMN Cc1csc(CC2(O)CCN([C@@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)n1 ZINC000602891956 860348430 /nfs/dbraw/zinc/34/84/30/860348430.db2.gz FNFVJKZETDTRID-HNNXBMFYSA-N 0 1 375.494 3.799 20 5 GHBDMN NC(=O)[C@@H]1CCCN(Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000155029146 860366961 /nfs/dbraw/zinc/36/69/61/860366961.db2.gz RUXISDLTYJTLRS-CQSZACIVSA-N 0 1 389.839 3.738 20 5 GHBDMN COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000093930999 860378228 /nfs/dbraw/zinc/37/82/28/860378228.db2.gz OHZHPCVJCDJDLR-UHFFFAOYSA-N 0 1 378.450 3.840 20 5 GHBDMN Cc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)nc2C)c(C)c1[N+](=O)[O-] ZINC000598718942 860528077 /nfs/dbraw/zinc/52/80/77/860528077.db2.gz WTKLXTYPEHSMFT-UHFFFAOYSA-N 0 1 389.355 3.735 20 5 GHBDMN O=C1[C@@H](NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CCN1C1CCC1 ZINC000599019544 860742456 /nfs/dbraw/zinc/74/24/56/860742456.db2.gz GRGTXTIESGVRDW-SFHVURJKSA-N 0 1 399.422 3.769 20 5 GHBDMN Cn1c(=O)ccc2c1CCC[C@H]2NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000593694021 860906698 /nfs/dbraw/zinc/90/66/98/860906698.db2.gz HWBVYCOXHCYDFX-QGZVFWFLSA-N 0 1 396.472 3.584 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 ZINC000061231672 861061487 /nfs/dbraw/zinc/06/14/87/861061487.db2.gz RJMROFDOCDBJKD-QGZVFWFLSA-N 0 1 380.404 3.765 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc3nc(-c4ccco4)[nH]c3c2)c1 ZINC000062268708 863164621 /nfs/dbraw/zinc/16/46/21/863164621.db2.gz QFKYGIAQHKSTPO-UHFFFAOYSA-N 0 1 378.344 3.992 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2ncn(CN(CCc3cccc(F)c3)C3CC3)n2)c1 ZINC000733789601 863166034 /nfs/dbraw/zinc/16/60/34/863166034.db2.gz XTOPLCDNFQHOHH-UHFFFAOYSA-N 0 1 381.411 3.657 20 5 GHBDMN CCc1[nH]nc(C(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)c1[N+](=O)[O-] ZINC000444034160 863182844 /nfs/dbraw/zinc/18/28/44/863182844.db2.gz OJUVFGMGWUPIMC-UHFFFAOYSA-N 0 1 383.235 3.992 20 5 GHBDMN CCc1[nH]nc(C(=O)N2CCCCC[C@H]2CC(=O)c2ccccc2)c1[N+](=O)[O-] ZINC000444275430 863797850 /nfs/dbraw/zinc/79/78/50/863797850.db2.gz CMCYVXWHWAPNQX-HNNXBMFYSA-N 0 1 384.436 3.538 20 5 GHBDMN CCc1[nH]nc(C(=O)N2CCC[C@H]2c2nc3ccccc3n2C(C)C)c1[N+](=O)[O-] ZINC000444285578 863818859 /nfs/dbraw/zinc/81/88/59/863818859.db2.gz HESKGBLYBOAJJF-INIZCTEOSA-N 0 1 396.451 3.788 20 5 GHBDMN COc1ccc(CN2CCCN(Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)cc1 ZINC000734835133 864469715 /nfs/dbraw/zinc/46/97/15/864469715.db2.gz NSMZFMKNFRSMAS-UHFFFAOYSA-N 0 1 389.883 3.965 20 5 GHBDMN CCS(=O)(=O)c1ccc(CNC/C(C)=C/c2cccc([N+](=O)[O-])c2)s1 ZINC000475224086 864604657 /nfs/dbraw/zinc/60/46/57/864604657.db2.gz MZBDNWPVEXCDEA-UKTHLTGXSA-N 0 1 380.491 3.643 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2ncn(CN(CCc3ccc(F)cc3)C3CC3)n2)cc1 ZINC000735073452 864606856 /nfs/dbraw/zinc/60/68/56/864606856.db2.gz MLFHTBUZUHUYBS-UHFFFAOYSA-N 0 1 381.411 3.657 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2ncn(CN(CCc3ccc(F)cc3)C3CC3)n2)c1 ZINC000735074173 864606957 /nfs/dbraw/zinc/60/69/57/864606957.db2.gz ZZPAYQUUQRTLQP-UHFFFAOYSA-N 0 1 381.411 3.657 20 5 GHBDMN C[C@@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1nc(-c2ccccc2)cs1 ZINC000184538891 864648663 /nfs/dbraw/zinc/64/86/63/864648663.db2.gz NRCOLNKBPCRSQS-GDBMZVCRSA-N 0 1 399.472 3.809 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2ncn(CN3CC[C@H](CSc4ccccc4)C3)n2)cc1 ZINC000173402453 864714795 /nfs/dbraw/zinc/71/47/95/864714795.db2.gz MPFBIONQZITISM-INIZCTEOSA-N 0 1 395.488 3.925 20 5 GHBDMN O=[N+]([O-])c1ccc2[nH]cc(CCN[C@H](c3ncc[nH]3)c3ccc(F)cc3)c2c1 ZINC000554741261 864815648 /nfs/dbraw/zinc/81/56/48/864815648.db2.gz MKBHDMZIHGTHLY-IBGZPJMESA-N 0 1 379.395 3.860 20 5 GHBDMN C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000554846831 865010990 /nfs/dbraw/zinc/01/09/90/865010990.db2.gz JVMNJCAPANWDPN-LSDHHAIUSA-N 0 1 389.883 3.988 20 5 GHBDMN CCc1[nH]nc(C(=O)N(CCc2ccccc2)Cc2ccccc2)c1[N+](=O)[O-] ZINC000608799853 865701978 /nfs/dbraw/zinc/70/19/78/865701978.db2.gz VPZGWLLDELUMRO-UHFFFAOYSA-N 0 1 378.432 3.765 20 5 GHBDMN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cc(F)ccc1N1CCCCC1 ZINC000608887275 865817968 /nfs/dbraw/zinc/81/79/68/865817968.db2.gz WIYAQRKARYNJME-UHFFFAOYSA-N 0 1 393.440 3.833 20 5 GHBDMN Cc1ccccc1[C@@H]1C[C@H](C)N(Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000742149727 867103349 /nfs/dbraw/zinc/10/33/49/867103349.db2.gz PHHZQCPLQPZPPR-FUHWJXTLSA-N 0 1 377.448 3.997 20 5 GHBDMN CCc1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)c1 ZINC000742231559 867146558 /nfs/dbraw/zinc/14/65/58/867146558.db2.gz LBHOAPWZLGEBTH-UHFFFAOYSA-N 0 1 385.239 3.721 20 5 GHBDMN Cc1ccccc1[C@@H](CC(F)(F)F)NC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000444779561 867184247 /nfs/dbraw/zinc/18/42/47/867184247.db2.gz CFHVPTOPPQRMOE-CRAIPNDOSA-N 0 1 398.381 3.926 20 5 GHBDMN O=C(C1CCN(Cc2ccccc2[N+](=O)[O-])CC1)N(Cc1ccccc1)C1CC1 ZINC000152685716 867189965 /nfs/dbraw/zinc/18/99/65/867189965.db2.gz IBNROTVMDYXMCS-UHFFFAOYSA-N 0 1 393.487 3.998 20 5 GHBDMN CCCCc1nc2ccc(NC(=O)c3cc(C(=O)OC)cc([N+](=O)[O-])c3)cc2[nH]1 ZINC000519921649 867531286 /nfs/dbraw/zinc/53/12/86/867531286.db2.gz LLSUBWBDVDUDCB-UHFFFAOYSA-N 0 1 396.403 3.853 20 5 GHBDMN CNc1ccc(C(=O)Nc2ccc3nc([C@H]4CCCO4)[nH]c3c2)cc1[N+](=O)[O-] ZINC000144025540 868587183 /nfs/dbraw/zinc/58/71/83/868587183.db2.gz AZOLIERSJIBBFP-QGZVFWFLSA-N 0 1 381.392 3.617 20 5 GHBDMN Cc1ccc(-c2n[nH]c(S[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000021731083 868662285 /nfs/dbraw/zinc/66/22/85/868662285.db2.gz WAWDOWJKYSKGLG-GFCCVEGCSA-N 0 1 383.433 3.808 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(Cc2noc(-c3cc(-c4cccs4)n[nH]3)n2)c1 ZINC000445574907 868686851 /nfs/dbraw/zinc/68/68/51/868686851.db2.gz OWLBGGPUHJAXAK-UHFFFAOYSA-N 0 1 383.389 3.696 20 5 GHBDMN O=c1ccc([N+](=O)[O-])cn1CCN1CC=C(c2cccc3ccccc32)CC1 ZINC000535582113 869011776 /nfs/dbraw/zinc/01/17/76/869011776.db2.gz FGCMVUAAFWUNPS-UHFFFAOYSA-N 0 1 375.428 3.699 20 5 GHBDMN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(CC[C@H]2CCCCO2)CC1 ZINC000544410054 869467196 /nfs/dbraw/zinc/46/71/96/869467196.db2.gz RUHZQPBCKCSXFN-OAHLLOKOSA-N 0 1 387.402 3.695 20 5 GHBDMN Cc1[nH]nc(C(=O)N2CCC(c3cccc(Cl)c3Cl)CC2)c1[N+](=O)[O-] ZINC000462780312 870056103 /nfs/dbraw/zinc/05/61/03/870056103.db2.gz WIEZWJKCHXXCIP-UHFFFAOYSA-N 0 1 383.235 3.953 20 5 GHBDMN Cc1ccc([C@H](CNC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)N2CCCC2)o1 ZINC000538744825 870550901 /nfs/dbraw/zinc/55/09/01/870550901.db2.gz UPOWBDWHQMCGTC-KRWDZBQOSA-N 0 1 385.464 3.988 20 5 GHBDMN C[C@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(-c2cccnc2)cc1 ZINC000181284318 870681041 /nfs/dbraw/zinc/68/10/41/870681041.db2.gz DVXVJIRBDQOSIC-HNNXBMFYSA-N 0 1 376.416 3.946 20 5 GHBDMN Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)cc1C ZINC000447002048 870850681 /nfs/dbraw/zinc/85/06/81/870850681.db2.gz YAQCTTCZTQPCIN-UHFFFAOYSA-N 0 1 385.239 3.775 20 5 GHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)c(Br)c1 ZINC000447003698 870854227 /nfs/dbraw/zinc/85/42/27/870854227.db2.gz USPHLQJGOZPUDM-UHFFFAOYSA-N 0 1 391.630 3.812 20 5 GHBDMN CO[C@@H](C)c1nc(CNC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cs1 ZINC000766527725 871003324 /nfs/dbraw/zinc/00/33/24/871003324.db2.gz ILSXLAJUDQBMNV-ZDUSSCGKSA-N 0 1 376.482 3.517 20 5 GHBDMN Cc1cc(NCc2cccc(OCC(=O)N(C)C)c2)c2cc([N+](=O)[O-])ccc2n1 ZINC000181458836 871037876 /nfs/dbraw/zinc/03/78/76/871037876.db2.gz CAEPDQOFTKRLMT-UHFFFAOYSA-N 0 1 394.431 3.531 20 5 GHBDMN Cc1cc(N2CCCC2)ccc1NC(=O)CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000540379463 871175925 /nfs/dbraw/zinc/17/59/25/871175925.db2.gz JWLNFWKADYCYTP-MRXNPFEDSA-N 0 1 382.464 3.793 20 5 GHBDMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000470322812 871294988 /nfs/dbraw/zinc/29/49/88/871294988.db2.gz MQBUPFXITQQEBT-UHFFFAOYSA-N 0 1 384.358 3.906 20 5 GHBDMN O=[N+]([O-])c1ccccc1CN(C[C@H](O)COCc1ccccc1Cl)C1CC1 ZINC000441239450 871356814 /nfs/dbraw/zinc/35/68/14/871356814.db2.gz OXWOCSVOKBAQOD-SFHVURJKSA-N 0 1 390.867 3.790 20 5 GHBDMN O=C(Nc1nnc(C(F)(F)F)s1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000540508398 871445330 /nfs/dbraw/zinc/44/53/30/871445330.db2.gz BBOABJJYFRFASI-UHFFFAOYSA-N 0 1 395.322 3.779 20 5 GHBDMN Cc1ccc([C@@H](C)NCC(=O)N(C)Cc2ccc(Cl)s2)cc1[N+](=O)[O-] ZINC000181839954 871535093 /nfs/dbraw/zinc/53/50/93/871535093.db2.gz SIGYSOIBGPIXGZ-GFCCVEGCSA-N 0 1 381.885 3.927 20 5 GHBDMN O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@H]2COC3(CCCCCC3)O2)c1 ZINC000776959768 882520103 /nfs/dbraw/zinc/52/01/03/882520103.db2.gz WALGAGKNSMCNTG-HNNXBMFYSA-N 0 1 386.395 3.752 20 5 GHBDMN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000462181616 871780182 /nfs/dbraw/zinc/78/01/82/871780182.db2.gz KWTPGSGNTIXSJB-KSSFIOAISA-N 0 1 379.416 3.591 20 5 GHBDMN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000182165639 871937935 /nfs/dbraw/zinc/93/79/35/871937935.db2.gz DBTBELWRUYPTRC-DENIHFKCSA-N 0 1 396.418 3.853 20 5 GHBDMN CN(CCN1CCCC1=O)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000093320149 872075740 /nfs/dbraw/zinc/07/57/40/872075740.db2.gz TXIUIHSWNGHLFW-UHFFFAOYSA-N 0 1 377.828 3.562 20 5 GHBDMN CN(C)[C@H]1CCOc2c(NC(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)cccc21 ZINC000447722774 872210674 /nfs/dbraw/zinc/21/06/74/872210674.db2.gz KZWQUVRXKQMPBF-SFHVURJKSA-N 0 1 380.404 3.714 20 5 GHBDMN CN(C)[C@H]1CCOc2c(NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)cccc21 ZINC000447722833 872210961 /nfs/dbraw/zinc/21/09/61/872210961.db2.gz LNVZYRVECKYUAC-INIZCTEOSA-N 0 1 381.388 3.979 20 5 GHBDMN CN(C)[C@@H]1CCOc2c(NC(=O)Cc3ccc([N+](=O)[O-])cc3Cl)cccc21 ZINC000447733299 872219499 /nfs/dbraw/zinc/21/94/99/872219499.db2.gz XSNCXRRPYKITCW-QGZVFWFLSA-N 0 1 389.839 3.815 20 5 GHBDMN Cc1ccc(C)c(S(=O)(=O)Nc2c(F)cccc2N2CCCC2)c1[N+](=O)[O-] ZINC000191760176 882602130 /nfs/dbraw/zinc/60/21/30/882602130.db2.gz VBXAGPYWEBWHSP-UHFFFAOYSA-N 0 1 393.440 3.752 20 5 GHBDMN CSc1cccc(F)c1CN[C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000552325171 872444296 /nfs/dbraw/zinc/44/42/96/872444296.db2.gz QMCSAJMOUKGTES-GFCCVEGCSA-N 0 1 377.441 3.963 20 5 GHBDMN COc1cc(CN(C)C[C@H]2CCOC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000093840387 872446908 /nfs/dbraw/zinc/44/69/08/872446908.db2.gz YLUSCONVSWWRSK-QGZVFWFLSA-N 0 1 386.448 3.651 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCc2ccccc2[C@H](C)C1 ZINC001195808865 872678452 /nfs/dbraw/zinc/67/84/52/872678452.db2.gz DKUAVKCZSRGNRG-CABCVRRESA-N 0 1 383.448 3.592 20 5 GHBDMN CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CCC[C@H]2C(C)(C)O)cc1OC ZINC000541059229 872818863 /nfs/dbraw/zinc/81/88/63/872818863.db2.gz IBOKXXIHHNOPJM-KUHUBIRLSA-N 0 1 380.485 3.764 20 5 GHBDMN CCc1cnccc1[C@H](C)N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000541194197 873094147 /nfs/dbraw/zinc/09/41/47/873094147.db2.gz YEXGINAFGZBWAH-RYUDHWBXSA-N 0 1 376.844 3.883 20 5 GHBDMN CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000768245402 873205824 /nfs/dbraw/zinc/20/58/24/873205824.db2.gz RSUHHNOEDHNCJH-OAHLLOKOSA-N 0 1 387.436 3.954 20 5 GHBDMN CC(C)(C)OC(=O)N[C@@H]1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000768245402 873205832 /nfs/dbraw/zinc/20/58/32/873205832.db2.gz RSUHHNOEDHNCJH-OAHLLOKOSA-N 0 1 387.436 3.954 20 5 GHBDMN CCNc1ccc(C(=O)Nc2cccc3c2OCC[C@@H]3N(C)C)cc1[N+](=O)[O-] ZINC000448487579 873466496 /nfs/dbraw/zinc/46/64/96/873466496.db2.gz JJBWTMYEYPXSHK-KRWDZBQOSA-N 0 1 384.436 3.664 20 5 GHBDMN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)c1C ZINC000768867715 873631179 /nfs/dbraw/zinc/63/11/79/873631179.db2.gz IPBJXBSCCHLUMF-UHFFFAOYSA-N 0 1 385.785 3.574 20 5 GHBDMN COc1cc(CN(Cc2ccccc2)[C@@H](CO)C(C)C)c([N+](=O)[O-])cc1F ZINC000464695575 874333003 /nfs/dbraw/zinc/33/30/03/874333003.db2.gz XKXULAWCRXQEOD-IBGZPJMESA-N 0 1 376.428 3.762 20 5 GHBDMN C[C@@H]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000464884797 874687457 /nfs/dbraw/zinc/68/74/57/874687457.db2.gz JIDNSXQKBPZQPD-OAHLLOKOSA-N 0 1 387.867 3.985 20 5 GHBDMN Cc1ccc2nc([C@@H]3CCCN(C(=O)c4cc(C)cc([N+](=O)[O-])c4N)C3)[nH]c2c1 ZINC000104876884 874815596 /nfs/dbraw/zinc/81/55/96/874815596.db2.gz FXGONRRJFCRACC-CQSZACIVSA-N 0 1 393.447 3.690 20 5 GHBDMN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC=C(c2ccc(Cl)cc2)CC1 ZINC000542206102 875144830 /nfs/dbraw/zinc/14/48/30/875144830.db2.gz ORZHDFPVBXTEPC-GOSISDBHSA-N 0 1 388.851 3.777 20 5 GHBDMN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000761659356 882975776 /nfs/dbraw/zinc/97/57/76/882975776.db2.gz WVGBELFEMOBWNB-MRXNPFEDSA-N 0 1 381.354 3.612 20 5 GHBDMN O=C(c1cc(C(F)(F)F)ccc1[N+](=O)[O-])N1CCN(C2CCCCC2)CC1 ZINC000450145465 876013644 /nfs/dbraw/zinc/01/36/44/876013644.db2.gz JSMPFXDLMGDJJU-UHFFFAOYSA-N 0 1 385.386 3.704 20 5 GHBDMN COc1cccc(-c2nc(C)c(C(=O)Oc3ccc(OC)cc3[N+](=O)[O-])[nH]2)c1 ZINC000772641115 876045801 /nfs/dbraw/zinc/04/58/01/876045801.db2.gz OYQQQOYMFSWIRW-UHFFFAOYSA-N 0 1 383.360 3.530 20 5 GHBDMN CC(C)N(CCc1nccs1)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000450351521 876314040 /nfs/dbraw/zinc/31/40/40/876314040.db2.gz VFOZLRLUPHRBGC-UHFFFAOYSA-N 0 1 385.449 3.535 20 5 GHBDMN COc1ccc(NC(=O)[C@H](C)N[C@@H](C)c2cc(C)ccc2OC)c([N+](=O)[O-])c1 ZINC000152030517 876546980 /nfs/dbraw/zinc/54/69/80/876546980.db2.gz SVBMDABOVZEWIC-KBPBESRZSA-N 0 1 387.436 3.598 20 5 GHBDMN CC[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1Cl)N1CCc2ccccc2C1 ZINC000858406997 883073972 /nfs/dbraw/zinc/07/39/72/883073972.db2.gz BASPWEDTCLRWNP-MRXNPFEDSA-N 0 1 387.867 3.815 20 5 GHBDMN Cc1ccc2nc([C@H]3CCCN3Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)[nH]c2c1 ZINC000451016286 877237769 /nfs/dbraw/zinc/23/77/69/877237769.db2.gz NJKOXIHDQWRYOX-GOSISDBHSA-N 0 1 376.420 3.993 20 5 GHBDMN Cc1ccc2nc([C@@H]3CCCN3CC(=O)Nc3cc([N+](=O)[O-])ccc3C)[nH]c2c1 ZINC000451017079 877240420 /nfs/dbraw/zinc/24/04/20/877240420.db2.gz OZBODKGZMLUOAD-IBGZPJMESA-N 0 1 393.447 3.864 20 5 GHBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000787405922 877399447 /nfs/dbraw/zinc/39/94/47/877399447.db2.gz HREYGYUFKHEQPU-NTCAYCPXSA-N 0 1 375.469 3.987 20 5 GHBDMN COc1ccc(NC(=O)[C@@H](C)N[C@H](C)c2ccc(F)c(C)c2)c([N+](=O)[O-])c1 ZINC000451164054 877497055 /nfs/dbraw/zinc/49/70/55/877497055.db2.gz RGNHWOKZCOIIBB-CHWSQXEVSA-N 0 1 375.400 3.729 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@H](C)c1ccc(F)c(C)c1 ZINC000451166664 877504192 /nfs/dbraw/zinc/50/41/92/877504192.db2.gz XZBWSQNHLMJOSB-CHWSQXEVSA-N 0 1 375.400 3.729 20 5 GHBDMN COc1ccc(NC(=O)CNC(C)(C)c2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000179608232 877755910 /nfs/dbraw/zinc/75/59/10/877755910.db2.gz KZRVAWNGWMZYHB-UHFFFAOYSA-N 0 1 377.828 3.720 20 5 GHBDMN Cc1cc(C(=O)N[C@@H]2CCc3nc(C4CCCCC4)[nH]c3C2)ccc1[N+](=O)[O-] ZINC000788243664 877943556 /nfs/dbraw/zinc/94/35/56/877943556.db2.gz MNLQDZQOKWZJGB-MRXNPFEDSA-N 0 1 382.464 3.961 20 5 GHBDMN C[C@@H](NCc1cccc(NC(=O)c2ccccn2)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788558337 878150161 /nfs/dbraw/zinc/15/01/61/878150161.db2.gz USPKYGZBCJTEJG-CQSZACIVSA-N 0 1 391.431 3.675 20 5 GHBDMN O=c1oc2ccc([N+](=O)[O-])cc2n1CN1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC000795678742 912338028 /nfs/dbraw/zinc/33/80/28/912338028.db2.gz FZVSUSIOOUMDBL-KZNAEPCWSA-N 0 1 379.416 3.728 20 5 GHBDMN Cc1ccc([N+](=O)[O-])c(C)c1NS(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000180158980 878576644 /nfs/dbraw/zinc/57/66/44/878576644.db2.gz FNONLZMPGAQONU-UHFFFAOYSA-N 0 1 376.221 3.714 20 5 GHBDMN O=C1C[C@H](NCc2ccccc2[N+](=O)[O-])CN1c1cccc(C(F)(F)F)c1 ZINC000538412212 879453574 /nfs/dbraw/zinc/45/35/74/879453574.db2.gz LKYXCNVLMFQWRM-AWEZNQCLSA-N 0 1 379.338 3.509 20 5 GHBDMN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000494069003 879892512 /nfs/dbraw/zinc/89/25/12/879892512.db2.gz MALLAPNXMQBZPZ-RHSMWYFYSA-N 0 1 387.867 3.949 20 5 GHBDMN Cc1cc2n[nH]cc2cc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000790645351 879909950 /nfs/dbraw/zinc/90/99/50/879909950.db2.gz DKZOGYCXYIVRSS-UHFFFAOYSA-N 0 1 380.813 3.542 20 5 GHBDMN CC(C)(C)[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000520156466 879910173 /nfs/dbraw/zinc/91/01/73/879910173.db2.gz KTLCLKCJIICPPY-MRXNPFEDSA-N 0 1 384.404 3.939 20 5 GHBDMN Cc1c(Cl)cc(S(=O)(=O)Nc2cccc3ccncc32)cc1[N+](=O)[O-] ZINC000531527499 880030418 /nfs/dbraw/zinc/03/04/18/880030418.db2.gz UVWZWPRIYLTTAN-UHFFFAOYSA-N 0 1 377.809 3.906 20 5 GHBDMN Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792092134 880921822 /nfs/dbraw/zinc/92/18/22/880921822.db2.gz WTERIGRFJDFXNS-UHFFFAOYSA-N 0 1 396.359 3.867 20 5 GHBDMN O=C1[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C[C@H]2CCCCN12 ZINC000453637537 881187386 /nfs/dbraw/zinc/18/73/86/881187386.db2.gz UYYBIUSSWDOWRC-SJKOYZFVSA-N 0 1 389.839 3.751 20 5 GHBDMN CCCc1[nH]nc(C(=O)N(C)C[C@@H]2CCCO[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000609476879 883239720 /nfs/dbraw/zinc/23/97/20/883239720.db2.gz SFPFAWJZKVRHES-KXBFYZLASA-N 0 1 386.452 3.510 20 5 GHBDMN O=[N+]([O-])c1ccccc1/C=C/CN1CC[C@H](c2nccc(C(F)(F)F)n2)C1 ZINC000897615981 884136003 /nfs/dbraw/zinc/13/60/03/884136003.db2.gz GMSFRRFGPAYGMM-KQIUPUNMSA-N 0 1 378.354 3.906 20 5 GHBDMN CC[C@@H](NCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)[C@H](O)C(F)(F)F ZINC000498360001 884153302 /nfs/dbraw/zinc/15/33/02/884153302.db2.gz VWWWPSXACGORAJ-CJNGLKHVSA-N 0 1 388.342 3.655 20 5 GHBDMN Cc1cc(C[C@@H](C)NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])n[nH]1 ZINC000194772244 884534746 /nfs/dbraw/zinc/53/47/46/884534746.db2.gz NLNFKSZEKHLFLT-CQSZACIVSA-N 0 1 394.431 3.566 20 5 GHBDMN O=C(Nc1cc(Cl)c(O)cc1F)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000286701467 912860378 /nfs/dbraw/zinc/86/03/78/912860378.db2.gz JDPVBEZFTPVPMM-UHFFFAOYSA-N 0 1 393.802 3.948 20 5 GHBDMN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000191412578 884939475 /nfs/dbraw/zinc/93/94/75/884939475.db2.gz BUKNBDNVUZEQLH-INIZCTEOSA-N 0 1 397.479 3.954 20 5 GHBDMN O=C([O-])[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@H]1C(F)(F)F ZINC000263528228 885067365 /nfs/dbraw/zinc/06/73/65/885067365.db2.gz VBJQGCJQINSELK-CHWSQXEVSA-N 0 1 384.310 3.550 20 5 GHBDMN COc1ccc([C@@H](CNc2cc([N+](=O)[O-])ccc2C(C)=O)N(C)C)cc1OC ZINC000807916450 885853448 /nfs/dbraw/zinc/85/34/48/885853448.db2.gz VMGNNTRXXRLWEN-GOSISDBHSA-N 0 1 387.436 3.529 20 5 GHBDMN O=C(N[C@@H](c1ccc(F)cc1)C(F)(F)F)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000498876095 886006045 /nfs/dbraw/zinc/00/60/45/886006045.db2.gz VCBFMRRRMXLFJH-AWEZNQCLSA-N 0 1 382.273 3.644 20 5 GHBDMN Cn1ccnc1[C@@H](NCC1(C)Cc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000556886916 886463577 /nfs/dbraw/zinc/46/35/77/886463577.db2.gz QHQFUIGOPCAHKC-FQEVSTJZSA-N 0 1 376.460 3.812 20 5 GHBDMN Cc1cc(N2CCC[C@@](CO)(c3ccccc3)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000509510242 887458907 /nfs/dbraw/zinc/45/89/07/887458907.db2.gz JQDRTKJDSGHIHR-JOCHJYFZSA-N 0 1 377.444 3.982 20 5 GHBDMN CC(C)(CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000025460893 888525825 /nfs/dbraw/zinc/52/58/25/888525825.db2.gz VSTHBOBOUDFBHP-UHFFFAOYSA-N 0 1 387.867 3.815 20 5 GHBDMN COc1cccc([C@H](CNC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)N(C)C)c1 ZINC000496306368 888698025 /nfs/dbraw/zinc/69/80/25/888698025.db2.gz RQKMINWPYNLWFS-FQEVSTJZSA-N 0 1 399.491 3.934 20 5 GHBDMN CC1=C(C(=O)OCC(C)C)[C@H](c2ccc(C(C)C)c([N+](=O)[O-])c2)NC(=S)N1 ZINC000916190862 888827581 /nfs/dbraw/zinc/82/75/81/888827581.db2.gz CUORZXWPAMKMCW-KRWDZBQOSA-N 0 1 391.493 3.710 20 5 GHBDMN CCc1nc([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)n[nH]1 ZINC000496554704 888894114 /nfs/dbraw/zinc/89/41/14/888894114.db2.gz SGPGGUNZAOYRHO-NSHDSACASA-N 0 1 377.470 3.514 20 5 GHBDMN O=C(Nc1nnc([C@@H]2CCCO2)s1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001132550463 889079246 /nfs/dbraw/zinc/07/92/46/889079246.db2.gz GXGRPLIAMXXOPF-ZDUSSCGKSA-N 0 1 397.416 3.612 20 5 GHBDMN CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000811826485 890043832 /nfs/dbraw/zinc/04/38/32/890043832.db2.gz SHULGWUSAJGLIG-AWEZNQCLSA-N 0 1 393.447 3.523 20 5 GHBDMN CN1CCN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CCC1(C)C ZINC000871155912 890667169 /nfs/dbraw/zinc/66/71/69/890667169.db2.gz HCUVDNSMGKAUJB-UHFFFAOYSA-N 0 1 399.441 3.516 20 5 GHBDMN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1cc(-c2cccs2)[nH]n1 ZINC000917069022 890987556 /nfs/dbraw/zinc/98/75/56/890987556.db2.gz IIIOCDVMAUWAGK-UHFFFAOYSA-N 0 1 376.825 3.972 20 5 GHBDMN C[C@@H](N[C@@H]1CCCN(C(=O)CCC(F)(F)F)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872069954 891138046 /nfs/dbraw/zinc/13/80/46/891138046.db2.gz ALIPAWIGOGANCN-VXGBXAGGSA-N 0 1 391.365 3.718 20 5 GHBDMN Cc1c(NC(=O)[C@@H](C)N2CCC[C@H](OC3CCC3)CC2)cccc1[N+](=O)[O-] ZINC000872279315 891225962 /nfs/dbraw/zinc/22/59/62/891225962.db2.gz HPTFDGXTKQFCSO-WBVHZDCISA-N 0 1 375.469 3.654 20 5 GHBDMN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2nc3cccc(Br)c3[nH]2)c1 ZINC001133613890 891310885 /nfs/dbraw/zinc/31/08/85/891310885.db2.gz XCDSCEBKNHRDTB-UHFFFAOYSA-N 0 1 375.182 3.794 20 5 GHBDMN Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000476005908 892281431 /nfs/dbraw/zinc/28/14/31/892281431.db2.gz GUDHOIKLFJITBY-UHFFFAOYSA-N 0 1 397.431 3.924 20 5 GHBDMN Cc1ccc(-c2n[nH]c(NC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])n2)o1 ZINC000497736728 892289596 /nfs/dbraw/zinc/28/95/96/892289596.db2.gz VOXQTUGTPJVOCN-UHFFFAOYSA-N 0 1 381.270 3.552 20 5 GHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(COc3ccccc3)c2)cc1 ZINC000917763019 892489597 /nfs/dbraw/zinc/48/95/97/892489597.db2.gz CDYKQYOJQPIUDL-UHFFFAOYSA-N 0 1 384.413 3.975 20 5 GHBDMN O=Cc1[nH]nc2cc(C(=O)OCc3cc([N+](=O)[O-])ccc3C(F)(F)F)ccc12 ZINC000815225138 893577763 /nfs/dbraw/zinc/57/77/63/893577763.db2.gz UZEWFRVCDYKDKQ-UHFFFAOYSA-N 0 1 393.277 3.659 20 5 GHBDMN CC(C)(C)c1ccc(CCNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC001185354348 913809069 /nfs/dbraw/zinc/80/90/69/913809069.db2.gz VNGRUEASJRPOSU-UHFFFAOYSA-N 0 1 380.441 3.552 20 5 GHBDMN COc1cc(COC(=O)[C@@H]2CCCCN2C2CCCC2)c([N+](=O)[O-])cc1F ZINC000815448030 893850273 /nfs/dbraw/zinc/85/02/73/893850273.db2.gz DLTHQMJPOFXDTP-INIZCTEOSA-N 0 1 380.416 3.583 20 5 GHBDMN COc1cccc([C@@]2(C)CCN(Cc3nnc(-c4ccccc4[N+](=O)[O-])o3)C2)c1 ZINC000878950709 894746278 /nfs/dbraw/zinc/74/62/78/894746278.db2.gz ZZNHQWRUUTWBDY-NRFANRHFSA-N 0 1 394.431 3.817 20 5 GHBDMN C[N@H+]1CCC[C@@H](CNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000565036015 895362014 /nfs/dbraw/zinc/36/20/14/895362014.db2.gz OPZREFQZGNTNNX-LIRRHRJNSA-N 0 1 389.477 3.778 20 5 GHBDMN CCc1ccc([C@@H](CNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)N(C)C)cc1 ZINC001135926613 895704331 /nfs/dbraw/zinc/70/43/31/895704331.db2.gz NSTZZVOUQZZIGY-HXUWFJFHSA-N 0 1 397.475 3.539 20 5 GHBDMN Cc1cc(N2CC[N@@H+](Cc3ccccc3)C[C@H](C)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000566290898 896218355 /nfs/dbraw/zinc/21/83/55/896218355.db2.gz MDTVQDHKYXFXNS-HNNXBMFYSA-N 0 1 383.448 3.560 20 5 GHBDMN Cc1c(NC(=O)[C@H](C)Sc2nc(-c3ccccc3)n[nH]2)cccc1[N+](=O)[O-] ZINC000042207551 897296765 /nfs/dbraw/zinc/29/67/65/897296765.db2.gz NWFAJMNCFBJBRO-LBPRGKRZSA-N 0 1 383.433 3.808 20 5 GHBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCCC[C@H]2C2(O)CC2)cc1OC ZINC001170950349 897436694 /nfs/dbraw/zinc/43/66/94/897436694.db2.gz XUIOSXWZIDGISZ-YWZLYKJASA-N 0 1 392.496 3.908 20 5 GHBDMN COc1ccc([C@@H]2CCN(C(=O)c3cc(-c4ccc([N+](=O)[O-])cc4)[nH]n3)C2)cc1 ZINC001136548420 898240026 /nfs/dbraw/zinc/24/00/26/898240026.db2.gz IHZSWFFHQGFXSX-MRXNPFEDSA-N 0 1 392.415 3.623 20 5 GHBDMN CCC[N@@H+](C)[C@H](CNC(=O)c1cccc([O-])c1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000569338505 898557202 /nfs/dbraw/zinc/55/72/02/898557202.db2.gz BWTLKZWJCNALBS-MRXNPFEDSA-N 0 1 391.855 3.767 20 5 GHBDMN CCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(OC)c2ncccc12 ZINC000571132904 899756777 /nfs/dbraw/zinc/75/67/77/899756777.db2.gz SJGCMRRURGSLPF-UHFFFAOYSA-N 0 1 387.417 3.515 20 5 GHBDMN O=C(c1cc([N+](=O)[O-])ccc1F)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000825222994 900033925 /nfs/dbraw/zinc/03/39/25/900033925.db2.gz VIJJBFANUQLJIJ-UHFFFAOYSA-N 0 1 395.394 3.539 20 5 GHBDMN COc1cc(CN2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000778944716 902051560 /nfs/dbraw/zinc/05/15/60/902051560.db2.gz WRYGPOUILGDWIX-CQSZACIVSA-N 0 1 393.484 3.729 20 5 GHBDMN COc1ccc(CN2C[C@H]3[C@@H](C2)C3(F)F)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000846112293 902690791 /nfs/dbraw/zinc/69/07/91/902690791.db2.gz UAHVEFHHFBYKMR-CALCHBBNSA-N 0 1 390.386 3.879 20 5 GHBDMN Cn1cc(CN2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000290905314 914863907 /nfs/dbraw/zinc/86/39/07/914863907.db2.gz MLLNAOUOZTVWJB-ICSRJNTNSA-N 0 1 382.464 3.529 20 5 GHBDMN CCCNC(=O)C1(NCc2ccc(Br)c([N+](=O)[O-])c2)CCCCC1 ZINC000779168039 905079543 /nfs/dbraw/zinc/07/95/43/905079543.db2.gz CCKWZVFQPCVJIM-UHFFFAOYSA-N 0 1 398.301 3.676 20 5 GHBDMN Cc1c(CC(=O)Nc2ccc3nc([C@@H]4CCCO4)[nH]c3c2)cccc1[N+](=O)[O-] ZINC000178636473 906366969 /nfs/dbraw/zinc/36/69/69/906366969.db2.gz TYSFCICJLJOMIY-SFHVURJKSA-N 0 1 380.404 3.812 20 5 GHBDMN CCOc1ccc([C@@H](C)NCc2ccc(N3CCOC3=O)cc2)cc1[N+](=O)[O-] ZINC000183738268 907449237 /nfs/dbraw/zinc/44/92/37/907449237.db2.gz IJNBITKCVDSQIR-CQSZACIVSA-N 0 1 385.420 3.801 20 5 GHBDMN CC(C)(COc1ncccc1Br)NCc1cc(F)ccc1[N+](=O)[O-] ZINC000779602997 907860357 /nfs/dbraw/zinc/86/03/57/907860357.db2.gz AFOPPEDIULMZNL-UHFFFAOYSA-N 0 1 398.232 3.839 20 5 GHBDMN O=[N+]([O-])c1ccc(CN2CCC[C@H]2C[C@H](O)c2cccs2)c([N+](=O)[O-])c1 ZINC000194061527 908913073 /nfs/dbraw/zinc/91/30/73/908913073.db2.gz ISOHKOLTUPELIF-BBRMVZONSA-N 0 1 377.422 3.653 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2cnn(CN3CC[C@@H](COc4ccccc4)C3)c2)c1 ZINC000779886487 909060209 /nfs/dbraw/zinc/06/02/09/909060209.db2.gz WWUSBPQOXSINJA-QGZVFWFLSA-N 0 1 378.432 3.817 20 5 GHBDMN CN(C)Cc1ccc(CN(C)Cc2ccccc2[N+](=O)[O-])c2c1OC(F)(F)O2 ZINC001180011029 909880323 /nfs/dbraw/zinc/88/03/23/909880323.db2.gz FMUCXAHEXABEHH-UHFFFAOYSA-N 0 1 393.390 3.610 20 5 GHBDMN COc1c(O)ccc(CN(C)CCCOc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC001180164693 910001532 /nfs/dbraw/zinc/00/15/32/910001532.db2.gz AMDACQAUXGRQNP-UHFFFAOYSA-N 0 1 380.828 3.863 20 5 GHBDMN COc1ccc([C@@H](C)NCc2ccc(OC)c([N+](=O)[O-])c2)cc1Cn1cccn1 ZINC000268810660 910027015 /nfs/dbraw/zinc/02/70/15/910027015.db2.gz IXTLZFGKSHNWCK-OAHLLOKOSA-N 0 1 396.447 3.708 20 5 GHBDMN CCOc1ccc([C@H](C)N[C@H](C)c2ccc3c(c2)CC(=O)N3C)cc1[N+](=O)[O-] ZINC000271028034 910760697 /nfs/dbraw/zinc/76/06/97/910760697.db2.gz BMIVQLGBTOGQOF-KGLIPLIRSA-N 0 1 383.448 3.924 20 5 GHBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)[C@H]1CC[C@H]1c1ccc(F)cc1 ZINC001182600088 911914901 /nfs/dbraw/zinc/91/49/01/911914901.db2.gz KCADFEQXQLNRRF-HOTGVXAUSA-N 0 1 381.367 3.651 20 5 GHBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1C[C@H]2OCCN(Cc3ccccc3)[C@H]2C1 ZINC001182865203 912090122 /nfs/dbraw/zinc/09/01/22/912090122.db2.gz UNSIFTGCAYCYRN-FXPRHUDCSA-N 0 1 393.487 3.583 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2ccc(CN3CCC(F)(F)[C@H](CO)C3)o2)c(Cl)c1 ZINC000291319983 915099025 /nfs/dbraw/zinc/09/90/25/915099025.db2.gz SOCXRQPINVCYSM-NSHDSACASA-N 0 1 386.782 3.958 20 5 GHBDMN CCC1(N2CCOCC2)CCN(c2c(Cl)c(Cl)ccc2[N+](=O)[O-])CC1 ZINC001187224785 915134104 /nfs/dbraw/zinc/13/41/04/915134104.db2.gz UUEIQUYACRWZGT-UHFFFAOYSA-N 0 1 388.295 3.983 20 5 GHBDMN Cc1cc(NCCc2nc(C3CCOCC3)n[nH]2)c([N+](=O)[O-])cc1C(F)(F)F ZINC001187437294 915247558 /nfs/dbraw/zinc/24/75/58/915247558.db2.gz FMPFEAOHBNZWRD-UHFFFAOYSA-N 0 1 399.373 3.589 20 5 GHBDMN Cc1cc(NCCc2n[nH]c(C3CCOCC3)n2)c([N+](=O)[O-])cc1C(F)(F)F ZINC001187437294 915247570 /nfs/dbraw/zinc/24/75/70/915247570.db2.gz FMPFEAOHBNZWRD-UHFFFAOYSA-N 0 1 399.373 3.589 20 5 GHBDMN Cc1ccc([N+](=O)[O-])c(N2CC[C@@]3(C2)CN(Cc2ccccc2)C[C@H](C)O3)c1 ZINC001187430826 915286387 /nfs/dbraw/zinc/28/63/87/915286387.db2.gz QGYPHORHTSNMNB-AVRDEDQJSA-N 0 1 381.476 3.773 20 5 GHBDMN Cc1noc(CSc2nc(-c3ccc(Br)cc3)n[nH]2)c1[N+](=O)[O-] ZINC001188333956 915893936 /nfs/dbraw/zinc/89/39/36/915893936.db2.gz UBIGPKAXJJMTFP-UHFFFAOYSA-N 0 1 396.226 3.731 20 5 GHBDMN Cc1ccc(-c2n[nH]c(SCC(=O)Nc3ccc(F)c([N+](=O)[O-])c3)n2)cc1 ZINC000006148486 916485836 /nfs/dbraw/zinc/48/58/36/916485836.db2.gz USFAAESYEMJWPC-UHFFFAOYSA-N 0 1 387.396 3.558 20 5 GHBDMN CCC1(CC)[C@@H](OC)C[C@@H]1N(C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001191744143 918193357 /nfs/dbraw/zinc/19/33/57/918193357.db2.gz ZDAHOOFPKRXIBF-HOTGVXAUSA-N 0 1 383.876 3.712 20 5 GHBDMN CCn1ccnc1[C@@H]1CCCCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000297100144 919055186 /nfs/dbraw/zinc/05/51/86/919055186.db2.gz OLYQIWJLLAYBDM-SFHVURJKSA-N 0 1 394.435 3.569 20 5 GHBDMN CC(C)(O)C1CN(Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000297435918 919329496 /nfs/dbraw/zinc/32/94/96/919329496.db2.gz OZPLRENILVFBKY-UHFFFAOYSA-N 0 1 392.459 3.650 20 5 GHBDMN C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000800866360 920543848 /nfs/dbraw/zinc/54/38/48/920543848.db2.gz ZILSPCPCACWVPL-UHFFFAOYSA-N 0 1 389.799 3.638 20 5 GHBDMN CN(CCc1cccc([N+](=O)[O-])c1)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000800866360 920543862 /nfs/dbraw/zinc/54/38/62/920543862.db2.gz ZILSPCPCACWVPL-UHFFFAOYSA-N 0 1 389.799 3.638 20 5 GHBDMN C[C@H](c1ccccc1)N1CC[C@@](F)(COC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000802148101 921861661 /nfs/dbraw/zinc/86/16/61/921861661.db2.gz YSWOTJVXNVEVFB-IERDGZPVSA-N 0 1 386.423 3.856 20 5 GHBDMN NCc1nc2c(s1)CCN(Cc1ccc(-c3ccc([N+](=O)[O-])cc3)s1)C2 ZINC000903942459 923419463 /nfs/dbraw/zinc/41/94/63/923419463.db2.gz PNISNKBYUXVLCM-UHFFFAOYSA-N 0 1 386.502 3.797 20 5 GHBDMN CC(C)c1nc2c([nH]1)CC[C@H](C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)C2 ZINC000369581217 923455533 /nfs/dbraw/zinc/45/55/33/923455533.db2.gz ZQWAOKIHPSEUFY-HNNXBMFYSA-N 0 1 382.464 3.737 20 5 GHBDMN COc1ccc(NC(=O)CCN(Cc2ccccc2F)C2CC2)c([N+](=O)[O-])c1 ZINC000411129095 926100745 /nfs/dbraw/zinc/10/07/45/926100745.db2.gz BBZSGCWOWSAHKU-UHFFFAOYSA-N 0 1 387.411 3.736 20 5 GHBDMN COC(=O)NC1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000827933998 926323265 /nfs/dbraw/zinc/32/32/65/926323265.db2.gz HXJRBDAOVBHYSJ-UHFFFAOYSA-N 0 1 393.827 3.829 20 5 GHBDMN CCCN(Cc1ccc(C)cc1)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000726586257 926744336 /nfs/dbraw/zinc/74/43/36/926744336.db2.gz IWJHFDCEWBDOAK-UHFFFAOYSA-N 0 1 396.447 3.542 20 5 GHBDMN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000726601924 926755474 /nfs/dbraw/zinc/75/54/74/926755474.db2.gz UAPAFPDPQXRPDN-MAUKXSAKSA-N 0 1 393.484 3.741 20 5 GHBDMN Cc1c(NC(=O)CCN2CCO[C@H](C3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000544546360 929275163 /nfs/dbraw/zinc/27/51/63/929275163.db2.gz FNCPYVPFQFGENJ-IBGZPJMESA-N 0 1 375.469 3.513 20 5 GHBDMN CC[C@@H]1CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCN1Cc1ccccc1 ZINC000544767785 929560403 /nfs/dbraw/zinc/56/04/03/929560403.db2.gz IZRSWCLROQSEJW-QGZVFWFLSA-N 0 1 392.459 3.813 20 5 GHBDMN COc1ccc(CN2CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000758779361 930164969 /nfs/dbraw/zinc/16/49/69/930164969.db2.gz IMEGFGUXSDFPHM-GOEBONIOSA-N 0 1 393.484 3.729 20 5 GHBDMN CN(C)Cc1cc(-c2noc(-c3c[nH]c4ccc([N+](=O)[O-])cc43)n2)ccc1F ZINC000546454836 930178455 /nfs/dbraw/zinc/17/84/55/930178455.db2.gz FMDTWXQSEJLQFQ-UHFFFAOYSA-N 0 1 381.367 3.994 20 5 GHBDMN COC(=O)[C@H]1CCN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)[C@@H]1C ZINC000470156770 930415759 /nfs/dbraw/zinc/41/57/59/930415759.db2.gz RMAAWOKHZBMDDL-DYVFJYSZSA-N 0 1 388.395 3.910 20 5 GHBDMN O=C(COc1ccc([N+](=O)[O-])c(F)c1)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000759745640 930473676 /nfs/dbraw/zinc/47/36/76/930473676.db2.gz OMAKSDGKXMVDFV-UHFFFAOYSA-N 0 1 380.282 3.565 20 5 GHBDMN COc1cccc(-c2cc(-c3nc(Cc4cccc([N+](=O)[O-])c4C)no3)[nH]n2)c1 ZINC000547196183 930789352 /nfs/dbraw/zinc/78/93/52/930789352.db2.gz ZOMJHVGAEZONQP-UHFFFAOYSA-N 0 1 391.387 3.943 20 5 GHBDMN CC(C)(C(=O)NC[C@@H](c1ccco1)N1CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000547233474 930830284 /nfs/dbraw/zinc/83/02/84/930830284.db2.gz PFMIJLSYGOHEFN-KRWDZBQOSA-N 0 1 389.427 3.558 20 5 GHBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCO[C@H](c2ccccc2C(F)(F)F)C1 ZINC000557897331 931742314 /nfs/dbraw/zinc/74/23/14/931742314.db2.gz VAGIEQPSWNVASV-KRWDZBQOSA-N 0 1 382.338 3.893 20 5 GHBDMN Cc1cc(C)cc([C@@H]2CCN(Cn3cnc(-c4cccc([N+](=O)[O-])c4)n3)C2)c1 ZINC000784030347 931760807 /nfs/dbraw/zinc/76/08/07/931760807.db2.gz PCHYNINWKLKWKS-GOSISDBHSA-N 0 1 377.448 3.917 20 5 GHBDMN O=C([C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1CCc2nc[nH]c2[C@@H]1c1ccccc1 ZINC000827971835 931875072 /nfs/dbraw/zinc/87/50/72/931875072.db2.gz JBJRFJQJYLBFMO-OPYAIIAOSA-N 0 1 388.427 3.596 20 5 GHBDMN COc1cc(CN2CC[C@@H](c3ccccn3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000798965810 932843205 /nfs/dbraw/zinc/84/32/05/932843205.db2.gz ZWARMHIALSYLAP-GFCCVEGCSA-N 0 1 379.363 3.589 20 5 GHBDMN COCc1ccccc1S(=O)(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000560014110 933019979 /nfs/dbraw/zinc/01/99/79/933019979.db2.gz ZZGRRUWKYSJQBM-UHFFFAOYSA-N 0 1 378.450 3.840 20 5 GHBDMN Cc1nn(CN2CCC[C@@H](c3ncc4n3CCCC4)C2)c2cc([N+](=O)[O-])ccc12 ZINC000799941293 933179260 /nfs/dbraw/zinc/17/92/60/933179260.db2.gz PWSRQKOISMGNRZ-MRXNPFEDSA-N 0 1 394.479 3.623 20 5 GHBDMN COC[C@H]1CCN1Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000560568928 933351614 /nfs/dbraw/zinc/35/16/14/933351614.db2.gz OWGKJWBNZZEGSD-HXUWFJFHSA-N 0 1 378.432 3.668 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2cnn(CN3CC[C@@H](COCc4ccccc4)C3)c2)c1 ZINC000777956324 934382612 /nfs/dbraw/zinc/38/26/12/934382612.db2.gz FGMUBKLOOALGTI-LJQANCHMSA-N 0 1 392.459 3.955 20 5 GHBDMN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCc2nc[nH]c2C12CCC2 ZINC000829076334 935762610 /nfs/dbraw/zinc/76/26/10/935762610.db2.gz GYWQMNKMOLDWBR-UHFFFAOYSA-N 0 1 392.868 3.528 20 5 GHBDMN C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NCc1c(F)cc([N+](=O)[O-])cc1F ZINC000829661690 935841148 /nfs/dbraw/zinc/84/11/48/935841148.db2.gz GQOYOMPTAREUKR-ZBEGNZNMSA-N 0 1 385.411 3.608 20 5 GHBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2C[C@H](C(=O)[O-])CC[C@@H]2C)cc1OC ZINC001589459047 954857434 /nfs/dbraw/zinc/85/74/34/954857434.db2.gz SXQSMKSWKJHYRI-SOUVJXGZSA-N 0 1 394.468 3.713 20 5 GHBDMN CC(C)OC[C@H](C(=O)[O-])[N@H+](C)Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001591712045 975602643 /nfs/dbraw/zinc/60/26/43/975602643.db2.gz PGUYBEQBUISGOP-MRXNPFEDSA-N 0 1 396.827 3.818 20 5 GHBDMN CC(C)OC[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001591712045 975602653 /nfs/dbraw/zinc/60/26/53/975602653.db2.gz PGUYBEQBUISGOP-MRXNPFEDSA-N 0 1 396.827 3.818 20 5 GHBDMN CCN(CC)[C@@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)c1ccco1 ZINC000468094019 1015252673 /nfs/dbraw/zinc/25/26/73/1015252673.db2.gz NXNGULGCHWAFEL-INIZCTEOSA-N 0 1 394.859 3.724 20 5 GHBDMN C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc(C(=O)[O-])cc1Br ZINC001598501766 992444182 /nfs/dbraw/zinc/44/41/82/992444182.db2.gz DWFCQOYJIBCOLV-UHFFFAOYSA-N 0 1 393.237 3.730 20 5 GHBDMN C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc(C(=O)[O-])cc1Br ZINC001598501766 992444186 /nfs/dbraw/zinc/44/41/86/992444186.db2.gz DWFCQOYJIBCOLV-UHFFFAOYSA-N 0 1 393.237 3.730 20 5 GHBDMN C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001598502004 992447566 /nfs/dbraw/zinc/44/75/66/992447566.db2.gz LBHBUNNNECDVMF-UHFFFAOYSA-N 0 1 381.388 3.623 20 5 GHBDMN C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001598502004 992447570 /nfs/dbraw/zinc/44/75/70/992447570.db2.gz LBHBUNNNECDVMF-UHFFFAOYSA-N 0 1 381.388 3.623 20 5 GHBDMN Cc1nccc(N2CCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)CC2)n1 ZINC000545549608 1016024528 /nfs/dbraw/zinc/02/45/28/1016024528.db2.gz JYFQRIYMNFSQQF-UHFFFAOYSA-N 0 1 395.488 3.744 20 5 GHBDMN CN1CC[C@@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)[C@@H]1c1ccccc1 ZINC000545845335 1016508714 /nfs/dbraw/zinc/50/87/14/1016508714.db2.gz RKSARIZKAAIOBY-MOPGFXCFSA-N 0 1 385.439 3.573 20 5 GHBDMN O=[N+]([O-])c1ccccc1NCCc1noc(-c2cc(-c3ccc(F)cc3)n[nH]2)n1 ZINC000546382723 1016603254 /nfs/dbraw/zinc/60/32/54/1016603254.db2.gz JKYUUYQYAMUIPB-UHFFFAOYSA-N 0 1 394.366 3.829 20 5 GHBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC(NC(=O)c2ccsc2)CC1 ZINC000470180451 1016743293 /nfs/dbraw/zinc/74/32/93/1016743293.db2.gz NHEJLYJVXBKDMY-RVDMUPIBSA-N 0 1 385.489 3.954 20 5 GHBDMN N[C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)NCC1(c2cnccn2)CC1 ZINC001220992350 1032225710 /nfs/dbraw/zinc/22/57/10/1032225710.db2.gz MXIQNBJAQKLXFI-QFIPXVFZSA-N 0 1 396.494 3.501 20 5 GHBDMN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Oc1[n-]c(=O)nc2ccc([N+](=O)[O-])cc21 ZINC001227094423 1032268134 /nfs/dbraw/zinc/26/81/34/1032268134.db2.gz AZELEEWCSJTAPR-AUUYWEPGSA-N 0 1 394.431 3.533 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)c(Cl)cc1O[C@H]1CC[C@@H](N2CCOCC2)CC1 ZINC001227126121 1032280489 /nfs/dbraw/zinc/28/04/89/1032280489.db2.gz OMQVTUNCRBHAJG-TXEJJXNPSA-N 0 1 375.252 3.924 20 5 GHBDMN Cc1ccc(S(=O)(=O)C[C@@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000158605126 1019991803 /nfs/dbraw/zinc/99/18/03/1019991803.db2.gz QCJAZJKCSFZNCV-GDBMZVCRSA-N 0 1 376.478 3.725 20 5 GHBDMN COc1cc([C@H](C)N[C@H](C)c2cccc(N3CCOC3=O)c2)cc([N+](=O)[O-])c1 ZINC000903078271 1021573846 /nfs/dbraw/zinc/57/38/46/1021573846.db2.gz FCDYUIUTXMIFLF-KGLIPLIRSA-N 0 1 385.420 3.972 20 5 GHBDMN COc1ccc(CN2CC[C@@H](C)[C@@H](CNC(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000835068022 1021850191 /nfs/dbraw/zinc/85/01/91/1021850191.db2.gz CNOIITWXHXRITL-ZBFHGGJFSA-N 0 1 393.484 3.586 20 5 GHBDMN Cc1cc(F)c(S(=O)(=O)Nc2cccnc2-c2ccccc2)cc1[N+](=O)[O-] ZINC000754766474 1022884675 /nfs/dbraw/zinc/88/46/75/1022884675.db2.gz YUDDTVCSTCNWSA-UHFFFAOYSA-N 0 1 387.392 3.905 20 5 GHBDMN Cc1cc(C)c(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)cc1[N+](=O)[O-] ZINC000755087672 1023067453 /nfs/dbraw/zinc/06/74/53/1023067453.db2.gz XSDMAEZDNVQMJQ-UHFFFAOYSA-N 0 1 385.785 3.574 20 5 GHBDMN Cc1nn(CN2CCC[C@H]2Cn2cnc3ccccc32)c2ccc([N+](=O)[O-])cc12 ZINC000755788441 1023378088 /nfs/dbraw/zinc/37/80/88/1023378088.db2.gz FLXXNBQSSLLLFX-KRWDZBQOSA-N 0 1 390.447 3.725 20 5 GHBDMN C/C(=C/C(=O)N(C)C1CCN(CCC(F)(F)F)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000837182878 1024195880 /nfs/dbraw/zinc/19/58/80/1024195880.db2.gz HKEGNEXUOLIBPO-YPKPFQOOSA-N 0 1 399.413 3.873 20 5 GHBDMN O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)N[C@H]2CCCC(F)(F)C2)c1Cl ZINC000830903359 1024232468 /nfs/dbraw/zinc/23/24/68/1024232468.db2.gz GOFXWIWKZDXSHU-ZETCQYMHSA-N 0 1 389.207 3.758 20 5 GHBDMN O=[N+]([O-])c1cccc([C@@H](O)CN2CC[C@@H](c3cccc(Br)c3)C2)c1 ZINC000831594554 1024671199 /nfs/dbraw/zinc/67/11/99/1024671199.db2.gz VTSHKEUBURJETL-QAPCUYQASA-N 0 1 391.265 3.880 20 5 GHBDMN COC(=O)c1cc([N+](=O)[O-])ccc1O[C@H]1CCN(Cc2ccccc2Cl)C1 ZINC001229059608 1033255429 /nfs/dbraw/zinc/25/54/29/1033255429.db2.gz SBXBXOIQZQIDSS-HNNXBMFYSA-N 0 1 390.823 3.688 20 5 GHBDMN CCN1CCN(c2ccc(CNc3ccc([N+](=O)[O-])cc3C(F)F)cn2)CC1 ZINC001162171079 1025648405 /nfs/dbraw/zinc/64/84/05/1025648405.db2.gz SCXCBYJHZXZCBQ-UHFFFAOYSA-N 0 1 391.422 3.681 20 5 GHBDMN COc1cc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)ccc1OCCO ZINC001461083658 1069380297 /nfs/dbraw/zinc/38/02/97/1069380297.db2.gz UCKMMTVPCVBIPP-UHFFFAOYSA-N 0 1 398.415 3.524 20 5 GHBDMN CCS[C@H]1CCC[C@@H]1NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC001210632061 1027582208 /nfs/dbraw/zinc/58/22/08/1027582208.db2.gz ONHCNGIUEZFDEC-JQWIXIFHSA-N 0 1 399.321 3.854 20 5 GHBDMN O=C(Nc1ccc([N+](=O)[O-])c2ccccc12)N[C@H](c1nnc[nH]1)c1ccccc1 ZINC001210683159 1027602381 /nfs/dbraw/zinc/60/23/81/1027602381.db2.gz QDTJIZWOFOQIBQ-SFHVURJKSA-N 0 1 388.387 3.777 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(-c2nc(-c3ncccc3/C=C/N3CCCC3)no2)c1 ZINC001215416103 1029196976 /nfs/dbraw/zinc/19/69/76/1029196976.db2.gz OCINNUDAVWVVJB-XYOKQWHBSA-N 0 1 393.403 3.782 20 5 GHBDMN Cc1cc(-c2nc(-c3cccc(N4CCN(C)CC4)c3)no2)cc([N+](=O)[O-])c1C ZINC001217097739 1030160053 /nfs/dbraw/zinc/16/00/53/1030160053.db2.gz WHTWPTOYPMPSKX-UHFFFAOYSA-N 0 1 393.447 3.680 20 5 GHBDMN CCSc1ccc(CNCc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)cc1 ZINC001461705838 1069691372 /nfs/dbraw/zinc/69/13/72/1069691372.db2.gz CKVPVYMEOHYWHZ-UHFFFAOYSA-N 0 1 390.461 3.548 20 5 GHBDMN N[C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)NC[C@@H]1Cc2ccccc2O1 ZINC001219925417 1031699595 /nfs/dbraw/zinc/69/95/95/1031699595.db2.gz KBWHOMTUXYQYIO-RDPSFJRHSA-N 0 1 396.490 3.983 20 5 GHBDMN CCc1[nH]nc(C(=O)N2CC[C@@H](c3ccc(F)c(F)c3)C2(C)C)c1[N+](=O)[O-] ZINC001153712178 1031716505 /nfs/dbraw/zinc/71/65/05/1031716505.db2.gz DQIJYOKPPXXIMC-NSHDSACASA-N 0 1 378.379 3.567 20 5 GHBDMN COC1CCC(NC(=O)[C@@H](N)Cc2c3ccccc3cc3ccccc32)CC1 ZINC001220222875 1031844484 /nfs/dbraw/zinc/84/44/84/1031844484.db2.gz IPNTUDZSPTVHDQ-XWEVFREBSA-N 0 1 376.500 3.937 20 5 GHBDMN CC(=O)Nc1ccc([N+](=O)[O-])cc1O[C@H]1CCCN([C@H](C)c2ccccn2)C1 ZINC001230251284 1033962472 /nfs/dbraw/zinc/96/24/72/1033962472.db2.gz PCIGRFPVJBMFRS-PBHICJAKSA-N 0 1 384.436 3.553 20 5 GHBDMN O=[N+]([O-])c1cc([N+](=O)[O-])c(O[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1[O-] ZINC001231222776 1034469575 /nfs/dbraw/zinc/46/95/75/1034469575.db2.gz AEKJARVCXDWNCS-MUJYYYPQSA-N 0 1 399.403 3.783 20 5 GHBDMN CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@@H](NCc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC001207732196 1034546592 /nfs/dbraw/zinc/54/65/92/1034546592.db2.gz CNILWDOFAQVQFR-ILXRZTDVSA-N 0 1 381.860 3.878 20 5 GHBDMN O=C(c1ccc(Nc2c(Cl)ccc([N+](=O)[O-])c2Cl)cc1)N1CCNCC1 ZINC001159528678 1034642875 /nfs/dbraw/zinc/64/28/75/1034642875.db2.gz LYQDBCYZNFXEAE-UHFFFAOYSA-N 0 1 395.246 3.691 20 5 GHBDMN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)Nc1nc(-c2ccccc2Cl)n[nH]1 ZINC001160566130 1035003958 /nfs/dbraw/zinc/00/39/58/1035003958.db2.gz NPZUDTAWAHVRLF-UHFFFAOYSA-N 0 1 399.794 3.635 20 5 GHBDMN C[C@]1(c2ccccc2)CC[C@H](N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)C1 ZINC001462275873 1070137989 /nfs/dbraw/zinc/13/79/89/1070137989.db2.gz NESYVBKMQGLGIS-CVDCTZTESA-N 0 1 393.487 3.863 20 5 GHBDMN CC(C)[C@@H](CNCc1ccc([N+](=O)[O-])cc1Cl)ONC(=O)OC(C)(C)C ZINC001462359678 1070198571 /nfs/dbraw/zinc/19/85/71/1070198571.db2.gz QFHNFXQKVGSGQF-OAHLLOKOSA-N 0 1 387.864 3.819 20 5 GHBDMN O=[N+]([O-])c1ccc(N2CCC(N3CCO[C@@H](Cc4ccccc4)C3)CC2)cc1 ZINC001254480390 1040268324 /nfs/dbraw/zinc/26/83/24/1040268324.db2.gz FHQYAZLNUDMCMW-QFIPXVFZSA-N 0 1 381.476 3.507 20 5 GHBDMN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC2CC1(CNC(=O)OC(C)(C)C)C2 ZINC001254552294 1040321901 /nfs/dbraw/zinc/32/19/01/1040321901.db2.gz KATBFQHAOJLUGE-ZUIJCZDSSA-N 0 1 375.469 3.515 20 5 GHBDMN Cc1ccc(CNCc2ccc(C(=O)OCc3ccccc3)[nH]2)cc1[N+](=O)[O-] ZINC001462510110 1070313017 /nfs/dbraw/zinc/31/30/17/1070313017.db2.gz ABLSWPOCJXYWHJ-UHFFFAOYSA-N 0 1 379.416 3.878 20 5 GHBDMN O=C(Cc1cc(Cl)cc(Cl)c1)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC001306508953 1048711657 /nfs/dbraw/zinc/71/16/57/1048711657.db2.gz DCJGTRFGOPXDEO-UHFFFAOYSA-N 0 1 392.202 3.868 20 5 GHBDMN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc2c(=O)[nH]c(=S)[nH]c2c1 ZINC001306883783 1048943584 /nfs/dbraw/zinc/94/35/84/1048943584.db2.gz FUKCZESBJNPKPT-UHFFFAOYSA-N 0 1 398.444 3.583 20 5 GHBDMN O=C([O-])CC[C@@H]1CCC[N@@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000901552999 1049114811 /nfs/dbraw/zinc/11/48/11/1049114811.db2.gz GRSSCMBKNVVZOB-INIZCTEOSA-N 0 1 375.469 3.662 20 5 GHBDMN CC(C)c1nc(CC2CCN(Cc3cc(Cl)ccc3[N+](=O)[O-])CC2)n[nH]1 ZINC001307890537 1049669739 /nfs/dbraw/zinc/66/97/39/1049669739.db2.gz SHBJCXXZIORSTR-UHFFFAOYSA-N 0 1 377.876 3.944 20 5 GHBDMN Cc1ccc(NC(=O)[C@H](c2ccccc2)N2C[C@@H]3CSC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001308074515 1049820908 /nfs/dbraw/zinc/82/09/08/1049820908.db2.gz RGQNZRVEKVJBNS-QKLQHJQFSA-N 0 1 397.500 3.878 20 5 GHBDMN COc1ccc(CNCc2cnn(Cc3ccccc3Cl)c2)cc1[N+](=O)[O-] ZINC001308252036 1049926826 /nfs/dbraw/zinc/92/68/26/1049926826.db2.gz FWALDHFXJYJYQQ-UHFFFAOYSA-N 0 1 386.839 3.791 20 5 GHBDMN COc1ccccc1-c1noc([C@@H](C)NCCCOc2ccc([N+](=O)[O-])cc2)n1 ZINC001330636866 1051049996 /nfs/dbraw/zinc/04/99/96/1051049996.db2.gz FRWKTQVXTPOROK-CQSZACIVSA-N 0 1 398.419 3.773 20 5 GHBDMN CC(C)(C)OC(=O)N1CC[C@@H](CCN2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001345025027 1054859051 /nfs/dbraw/zinc/85/90/51/1054859051.db2.gz VNKGLUYYPSDJMP-OAHLLOKOSA-N 0 1 375.469 3.600 20 5 GHBDMN COc1ccc(C[C@H](C)N(C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC001319416396 1055238488 /nfs/dbraw/zinc/23/84/88/1055238488.db2.gz QWJFCJCHYXUPJC-ZDUSSCGKSA-N 0 1 391.855 3.758 20 5 GHBDMN C[C@@H]1CCCN(C(=O)CCN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC001319904507 1055532841 /nfs/dbraw/zinc/53/28/41/1055532841.db2.gz KKZCOABCVSCVBV-VGOFRKELSA-N 0 1 381.476 3.922 20 5 GHBDMN COC(=O)[C@@H]1CCCC[C@@]1(C)NCc1ccc([N+](=O)[O-])cc1Br ZINC001320413278 1055791912 /nfs/dbraw/zinc/79/19/12/1055791912.db2.gz VQBURDQCNGXFGY-XJKSGUPXSA-N 0 1 385.258 3.569 20 5 GHBDMN CC(C)CNC(=O)CNCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC001322713468 1056814320 /nfs/dbraw/zinc/81/43/20/1056814320.db2.gz KGSNTXHTYFUYJB-UHFFFAOYSA-N 0 1 391.855 3.902 20 5 GHBDMN Cn1cc([C@H]2CN(Cc3ccc([N+](=O)[O-])cc3Br)CC2(C)C)cn1 ZINC001326715787 1057540643 /nfs/dbraw/zinc/54/06/43/1057540643.db2.gz FIGNAKGAEOVUQA-OAHLLOKOSA-N 0 1 393.285 3.716 20 5 GHBDMN C[C@@H](CCC(C)(C)C)C(=O)Nc1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC001439683379 1058261706 /nfs/dbraw/zinc/26/17/06/1058261706.db2.gz ZCPJTCLVSAAMMK-HNNXBMFYSA-N 0 1 376.501 3.748 20 5 GHBDMN C[C@H](CCC(C)(C)C)C(=O)Nc1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC001439683381 1058262267 /nfs/dbraw/zinc/26/22/67/1058262267.db2.gz ZCPJTCLVSAAMMK-OAHLLOKOSA-N 0 1 376.501 3.748 20 5 GHBDMN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc2nc(N(C)C)[nH]c2c1 ZINC001448495585 1060199967 /nfs/dbraw/zinc/19/99/67/1060199967.db2.gz QCKCTCUYKLNVIA-AWEZNQCLSA-N 0 1 381.436 3.745 20 5 GHBDMN CCC[N@@H+](C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1[O-])c1ccc(Cl)cc1 ZINC001449265176 1060366187 /nfs/dbraw/zinc/36/61/87/1060366187.db2.gz NPXJQXMTYFQBQA-KRWDZBQOSA-N 0 1 391.855 3.767 20 5 GHBDMN O=C(Nc1ccccc1-c1nc2ccc(Cl)cc2[nH]1)c1c[nH]nc1[N+](=O)[O-] ZINC001452831236 1061027108 /nfs/dbraw/zinc/02/71/08/1061027108.db2.gz GIQRLJNXUBZRHS-UHFFFAOYSA-N 0 1 382.767 3.767 20 5 GHBDMN CN(Cc1nc2ccc(C(F)(F)F)cc2[nH]1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC001453266291 1061098437 /nfs/dbraw/zinc/09/84/37/1061098437.db2.gz OCWJXHNULALBBY-UHFFFAOYSA-N 0 1 392.337 3.691 20 5 GHBDMN Cc1cccc(CN2CC[C@H](NC(=O)c3cc(Cl)c(F)c([N+](=O)[O-])c3)C2)c1 ZINC001454306038 1061708141 /nfs/dbraw/zinc/70/81/41/1061708141.db2.gz AHRCLTZILINVSP-HNNXBMFYSA-N 0 1 391.830 3.700 20 5 GHBDMN CC[C@H](c1ccccc1)N1CCN(C(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC001456979136 1062937303 /nfs/dbraw/zinc/93/73/03/1062937303.db2.gz ISSDOTPGLFRWJJ-BHIFYINESA-N 0 1 393.487 3.994 20 5 GHBDMN CN(CCNC(=O)CCc1ccc([N+](=O)[O-])cc1Cl)Cc1ccc(F)cc1 ZINC001457393065 1063134053 /nfs/dbraw/zinc/13/40/53/1063134053.db2.gz FXUTURSGQDVVJV-UHFFFAOYSA-N 0 1 393.846 3.568 20 5 GHBDMN CC(C)(C)N1CC[C@](F)(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC001348844835 1063350211 /nfs/dbraw/zinc/35/02/11/1063350211.db2.gz QWNCOYKPRUTQTO-GOSISDBHSA-N 0 1 392.456 3.869 20 5 GHBDMN Cc1ccccc1CN1CCN(c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)CC1 ZINC001458060460 1063536369 /nfs/dbraw/zinc/53/63/69/1063536369.db2.gz FSYDBTRZGREKDI-UHFFFAOYSA-N 0 1 397.866 3.822 20 5 GHBDMN Cn1c(=O)c([N+](=O)[O-])c(NCc2nc3ccc(Cl)cc3[nH]2)c2ccccc21 ZINC001458430380 1063800134 /nfs/dbraw/zinc/80/01/34/1063800134.db2.gz YPDLLPURTBMQEO-UHFFFAOYSA-N 0 1 383.795 3.589 20 5 GHBDMN CCOC(=O)C[C@@](C)(NCc1ccc([N+](=O)[O-])cc1Br)C(C)C ZINC001460001558 1064335123 /nfs/dbraw/zinc/33/51/23/1064335123.db2.gz XUIOKSZPNBHEIH-MRXNPFEDSA-N 0 1 387.274 3.815 20 5 GHBDMN COCCN(C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)[C@H](C)c1ccccc1 ZINC001464557298 1065080378 /nfs/dbraw/zinc/08/03/78/1065080378.db2.gz TUJXWUJYRGZAOX-OAHLLOKOSA-N 0 1 394.431 3.835 20 5 GHBDMN O=C(NCc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCCCN1Cc1ccccc1 ZINC001466055574 1065968199 /nfs/dbraw/zinc/96/81/99/1065968199.db2.gz ANHUAXXOZDWTAA-LJQANCHMSA-N 0 1 387.867 3.919 20 5 GHBDMN Cc1ccc([C@H]2C[C@H](C)N(CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C2)cc1 ZINC001473431536 1067559615 /nfs/dbraw/zinc/55/96/15/1067559615.db2.gz GCVGOTQXQBBMOU-LPHOPBHVSA-N 0 1 379.460 3.670 20 5 GHBDMN CCN1[C@H](C)CN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C[C@@H]1C ZINC001469608199 1068255524 /nfs/dbraw/zinc/25/55/24/1068255524.db2.gz RSQIRCIFLJQBSP-CALCHBBNSA-N 0 1 397.475 3.729 20 5 GHBDMN CN(Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C[C@]12CCC[C@H]1OCC2 ZINC001460969688 1069303620 /nfs/dbraw/zinc/30/36/20/1069303620.db2.gz CMKFDUUKNCMCSR-CRAIPNDOSA-N 0 1 392.843 3.689 20 5 GHBDMN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(C2CCCC2)[C@H](C)C1 ZINC001471826633 1073228224 /nfs/dbraw/zinc/22/82/24/1073228224.db2.gz QAMXMJUNOLUMNF-CABCVRRESA-N 0 1 377.510 3.551 20 5 GHBDMN Cc1cc([C@@H]2CCCCN2C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n[nH]1 ZINC001472103004 1073335659 /nfs/dbraw/zinc/33/56/59/1073335659.db2.gz JSBUCTXSRWMWRL-KRWDZBQOSA-N 0 1 383.452 3.594 20 5 GHBDMN COc1ccc(CN2CC[C@@H]2CNc2ccc([N+](=O)[O-])c3cccnc23)cc1 ZINC001472834192 1073687016 /nfs/dbraw/zinc/68/70/16/1073687016.db2.gz SVVPUEHAXWDBQN-MRXNPFEDSA-N 0 1 378.432 3.838 20 5 GHBDMN CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN(C)CC2(O)CCCC2)cc1OC ZINC001473299270 1073911273 /nfs/dbraw/zinc/91/12/73/1073911273.db2.gz HQVBQFUBUPRMMY-OAHLLOKOSA-N 0 1 380.485 3.765 20 5 GHBDMN CC[C@H]1CN(Cc2cc(OC)c(F)cc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC001473365257 1073936516 /nfs/dbraw/zinc/93/65/16/1073936516.db2.gz ARMLJDNPCFCMDJ-SFHVURJKSA-N 0 1 387.455 3.839 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC2CC1(CNC(=O)OC(C)(C)C)C2 ZINC001473641752 1074063700 /nfs/dbraw/zinc/06/37/00/1074063700.db2.gz VBJZLTXASVAIHK-BQTBQCLESA-N 0 1 375.469 3.953 20 5 GHBDMN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@H](c2c[nH]c3ncccc23)C1 ZINC001473720688 1074106360 /nfs/dbraw/zinc/10/63/60/1074106360.db2.gz AJFUBPJFRRZBLZ-CABCVRRESA-N 0 1 393.447 3.678 20 5 GHBDMN COc1ccc(NC(=O)[C@H](C)N2CCC[C@H](C3CCC3)CC2)c([N+](=O)[O-])c1 ZINC001473741684 1074118832 /nfs/dbraw/zinc/11/88/32/1074118832.db2.gz LKLKKGGKASGBCV-HOCLYGCPSA-N 0 1 375.469 3.833 20 5 GHBDMN CC(=O)Nc1ccc2c(CN[C@H](C)c3ccc([N+](=O)[O-])cc3)cc(=O)oc2c1 ZINC001473784453 1074140643 /nfs/dbraw/zinc/14/06/43/1074140643.db2.gz XMPMTKQSFOBCFY-GFCCVEGCSA-N 0 1 381.388 3.510 20 5 GHBDMN Cc1ccc([N+](=O)[O-])c(C)c1CN1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC001474368058 1074366506 /nfs/dbraw/zinc/36/65/06/1074366506.db2.gz GCYFFBDXKWSJCF-QGZVFWFLSA-N 0 1 386.427 3.747 20 5 GHBDMN CC(C)(C)OC(=O)NC1(CNCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC001474727080 1074536382 /nfs/dbraw/zinc/53/63/82/1074536382.db2.gz XCBFNWMQMKQRHK-UHFFFAOYSA-N 0 1 389.374 3.761 20 5 GHBDMN COC[C@H](C)N[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000003284540 203995244 /nfs/dbraw/zinc/99/52/44/203995244.db2.gz XEGRIMOWSHYSAU-SJCJKPOMSA-N 0 1 377.828 3.553 20 5 GHBDMN C[C@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736137186 598355752 /nfs/dbraw/zinc/35/57/52/598355752.db2.gz WCHPAQIPDUHQEW-ZDUSSCGKSA-N 0 1 390.403 3.886 20 5 GHBDMN Cc1cc(N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832896513 602320050 /nfs/dbraw/zinc/32/00/50/602320050.db2.gz AMEBNRBHGWMOID-KRWDZBQOSA-N 0 1 380.404 3.731 20 5 GHBDMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000263519549 604679596 /nfs/dbraw/zinc/67/95/96/604679596.db2.gz QJTBSZAUJMOUMT-VUCTXSBTSA-N 0 1 387.461 3.936 20 5 GHBDMN CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000825961788 608524187 /nfs/dbraw/zinc/52/41/87/608524187.db2.gz MNWORNPXLAMFFV-UHFFFAOYSA-N 0 1 390.403 3.667 20 5 GHBDMN CCN(CC)[C@@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])c1ccccc1Cl ZINC000180619692 837403922 /nfs/dbraw/zinc/40/39/22/837403922.db2.gz WXSJTAHWMUXGJI-KRWDZBQOSA-N 0 1 390.871 3.643 20 5 GHBDMN CC[C@H](N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccc2c(c1)OCCO2 ZINC000180637109 837402671 /nfs/dbraw/zinc/40/26/71/837402671.db2.gz ZBLYSPPCGAKCEQ-ZBFHGGJFSA-N 0 1 399.447 3.742 20 5 GHBDMN Cc1ccc2c(c1C)OC[C@H]2NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000536095958 834819081 /nfs/dbraw/zinc/81/90/81/834819081.db2.gz ZYKBGNMDDXKQDA-LJQANCHMSA-N 0 1 378.432 3.835 20 5 GHBDMN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179332769 835531273 /nfs/dbraw/zinc/53/12/73/835531273.db2.gz ZUDSQHMLMABNNS-GFCCVEGCSA-N 0 1 397.460 3.825 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@H](C)c1cc(C)sc1C ZINC000179373952 835651471 /nfs/dbraw/zinc/65/14/71/835651471.db2.gz YFNVZXNTZPXUOB-NEPJUHHUSA-N 0 1 377.466 3.960 20 5 GHBDMN C[C@@H](c1ccc(F)cc1)N1CC[C@@H](N(C)CCc2cccc([N+](=O)[O-])c2)C1=O ZINC000549686548 844115054 /nfs/dbraw/zinc/11/50/54/844115054.db2.gz HQZSAMDCQVCTAL-MGPUTAFESA-N 0 1 385.439 3.570 20 5 GHBDMN Cc1cccc(C)c1NC(=O)CCCN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000136584580 836165380 /nfs/dbraw/zinc/16/53/80/836165380.db2.gz KEBXERLGZBGVLT-UHFFFAOYSA-N 0 1 396.491 3.753 20 5 GHBDMN CCOc1cc(CN[C@H](C)c2ccc3c(c2)O[C@@H](CC)C(=O)N3)ccc1[N+](=O)[O-] ZINC000276954596 844137411 /nfs/dbraw/zinc/13/74/11/844137411.db2.gz USAAROBBIIFSIZ-ACJLOTCBSA-N 0 1 399.447 3.954 20 5 GHBDMN CC(C)Oc1cc(C(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)ccc1[N+](=O)[O-] ZINC000411520846 836197510 /nfs/dbraw/zinc/19/75/10/836197510.db2.gz XCTHYXWRBFASPI-SFHVURJKSA-N 0 1 389.427 3.554 20 5 GHBDMN Cc1[nH]ncc1C1CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000375914042 836198937 /nfs/dbraw/zinc/19/89/37/836198937.db2.gz YTHZNXDSBIKDQC-UHFFFAOYSA-N 0 1 397.460 3.770 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000043127034 836244743 /nfs/dbraw/zinc/24/47/43/836244743.db2.gz RBSIIYNKYLDYDO-INIZCTEOSA-N 0 1 388.424 3.545 20 5 GHBDMN CC(C)N(CCn1cc([N+](=O)[O-])cn1)Cc1cc(Br)ccc1F ZINC000472439627 836380605 /nfs/dbraw/zinc/38/06/05/836380605.db2.gz UQEDYQKOTFMFTG-UHFFFAOYSA-N 0 1 385.237 3.604 20 5 GHBDMN COc1cc(CN(C)CCc2cccs2)c([N+](=O)[O-])cc1OCC(F)F ZINC000180204815 836666633 /nfs/dbraw/zinc/66/66/33/836666633.db2.gz TVLYBZCXHQOERE-UHFFFAOYSA-N 0 1 386.420 3.983 20 5 GHBDMN Cc1ccc([C@H](C)NC(=O)NC[C@H](c2ccco2)N2CCCC2)cc1[N+](=O)[O-] ZINC000175553429 836679232 /nfs/dbraw/zinc/67/92/32/836679232.db2.gz LEBMGDIYELUMEB-MAUKXSAKSA-N 0 1 386.452 3.694 20 5 GHBDMN Cc1ccc(NC(=O)CN[C@@H](C)c2cccc([N+](=O)[O-])c2)c(Br)c1 ZINC000180439002 837258073 /nfs/dbraw/zinc/25/80/73/837258073.db2.gz VABQUJAORQVDBR-LBPRGKRZSA-N 0 1 392.253 3.955 20 5 GHBDMN CC(C)(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000110204898 837915905 /nfs/dbraw/zinc/91/59/05/837915905.db2.gz LYJCXIVCICNEKV-UHFFFAOYSA-N 0 1 387.867 3.815 20 5 GHBDMN CC(C)N1C[C@@H](C)[C@H](NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 ZINC000275628284 838079367 /nfs/dbraw/zinc/07/93/67/838079367.db2.gz JFJHUUHWNVIUCU-CWTRNNRKSA-N 0 1 399.441 3.830 20 5 GHBDMN CN(C)[C@H]1CCOc2c(NC(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)cccc21 ZINC000412304044 838244775 /nfs/dbraw/zinc/24/47/75/838244775.db2.gz MZMGEAOFUDOQKL-SCTDSRPQSA-N 0 1 381.432 3.722 20 5 GHBDMN COc1ccc(NC(=O)CCN[C@H](C)c2ccc(F)cc2F)c([N+](=O)[O-])c1 ZINC000181580608 838541972 /nfs/dbraw/zinc/54/19/72/838541972.db2.gz BTJNDQZQQFSECE-LLVKDONJSA-N 0 1 379.363 3.561 20 5 GHBDMN CC(=O)c1c(C)cc(C)c(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1C ZINC000118866271 838735323 /nfs/dbraw/zinc/73/53/23/838735323.db2.gz PGKOPDIBNQTOLO-QGZVFWFLSA-N 0 1 382.464 3.804 20 5 GHBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000610390239 838949763 /nfs/dbraw/zinc/94/97/63/838949763.db2.gz WFNKBFYJRGWBEG-INIZCTEOSA-N 0 1 379.460 3.957 20 5 GHBDMN C[C@@]1(c2ccccc2)CCCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC001167367478 839046802 /nfs/dbraw/zinc/04/68/02/839046802.db2.gz KKDBONGNOKOYML-RBBKRZOGSA-N 0 1 379.460 3.754 20 5 GHBDMN C[C@@H](c1ccncc1)N1CCC(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000155644219 839205576 /nfs/dbraw/zinc/20/55/76/839205576.db2.gz NQWSZNARVXYYJK-ZDUSSCGKSA-N 0 1 388.855 3.599 20 5 GHBDMN C[C@H](c1ccncc1)N1CCC(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000155644328 839206739 /nfs/dbraw/zinc/20/67/39/839206739.db2.gz NQWSZNARVXYYJK-CYBMUJFWSA-N 0 1 388.855 3.599 20 5 GHBDMN CC[C@H](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[N@H+]1CCc2ccccc2C1 ZINC000109891400 839476903 /nfs/dbraw/zinc/47/69/03/839476903.db2.gz JABPPMMPZKOGMX-QGZVFWFLSA-N 0 1 392.459 3.643 20 5 GHBDMN C[C@@H](Nc1ccc(-c2nc(C3(N)CCCC3)no2)cc1[N+](=O)[O-])c1ccccn1 ZINC000261890573 839844058 /nfs/dbraw/zinc/84/40/58/839844058.db2.gz XJCGPJOJGWVLQG-CYBMUJFWSA-N 0 1 394.435 3.941 20 5 GHBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN(Cc1ccccc1)CC1(O)CCCC1 ZINC000134318745 840205489 /nfs/dbraw/zinc/20/54/89/840205489.db2.gz IASRBMBFABAYJO-UHFFFAOYSA-N 0 1 397.475 3.649 20 5 GHBDMN COc1cc2c(c(OC)c1OC)CCN([C@H](C)c1ccccc1[N+](=O)[O-])CC2 ZINC000432035535 840561864 /nfs/dbraw/zinc/56/18/64/840561864.db2.gz VHVQWDIKXXBNKG-CQSZACIVSA-N 0 1 386.448 3.782 20 5 GHBDMN CN(C[C@H]1CCCO[C@@H]1c1ccccc1)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000050863866 840947312 /nfs/dbraw/zinc/94/73/12/840947312.db2.gz LGRFDBOHJGCDRT-FOIQADDNSA-N 0 1 394.431 3.711 20 5 GHBDMN CCN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@@H](C)Cc1ccc(OC)cc1 ZINC000066856882 840956785 /nfs/dbraw/zinc/95/67/85/840956785.db2.gz GIZNMPULBJNQLO-ZDUSSCGKSA-N 0 1 382.420 3.573 20 5 GHBDMN C[C@@H](OC(C)(C)C)[C@H]([NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)[O-] ZINC000417579313 841024382 /nfs/dbraw/zinc/02/43/82/841024382.db2.gz AJVRLZZJHHMLIE-PXAZEXFGSA-N 0 1 376.409 3.601 20 5 GHBDMN COc1cccc([C@@H]2[C@@H](Nc3nc4sccn4c3[N+](=O)[O-])CCN2C2CC2)c1 ZINC000302076127 861198663 /nfs/dbraw/zinc/19/86/63/861198663.db2.gz WGZKNTQSNRRMOG-JKSUJKDBSA-N 0 1 399.476 3.703 20 5 GHBDMN CCN1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C[C@H]1C ZINC000500111315 841464371 /nfs/dbraw/zinc/46/43/71/841464371.db2.gz IEWWBKLSOMRCLZ-SJORKVTESA-N 0 1 396.491 3.762 20 5 GHBDMN Cc1cc(NCc2ccccc2CS(C)(=O)=O)c2cc([N+](=O)[O-])ccc2n1 ZINC000302093871 861205506 /nfs/dbraw/zinc/20/55/06/861205506.db2.gz QYCYDROMUAYDKO-UHFFFAOYSA-N 0 1 385.445 3.608 20 5 GHBDMN COc1ccc([C@H](C)NCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c(C)c1OC ZINC000570115349 842258969 /nfs/dbraw/zinc/25/89/69/842258969.db2.gz GROFAUJURGWBIT-AWEZNQCLSA-N 0 1 387.436 3.518 20 5 GHBDMN C[C@@H]1CN(Cc2ccc(CNc3c4c(ccc3[N+](=O)[O-])NCC4)cc2)C[C@H](C)O1 ZINC000302491375 861291762 /nfs/dbraw/zinc/29/17/62/861291762.db2.gz ZDSVRIUPHKWYND-IYBDPMFKSA-N 0 1 396.491 3.784 20 5 GHBDMN COc1ccccc1[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1C)N1CCCCC1 ZINC000055752089 861303680 /nfs/dbraw/zinc/30/36/80/861303680.db2.gz IIQFGEGVULNNQR-HXUWFJFHSA-N 0 1 397.475 3.869 20 5 GHBDMN Cc1cccc(CN2CCCC[C@@H]2C(=O)NCCc2cccc([N+](=O)[O-])c2)c1 ZINC001266862249 842673680 /nfs/dbraw/zinc/67/36/80/842673680.db2.gz FSOORVBORBZULA-OAQYLSRUSA-N 0 1 381.476 3.617 20 5 GHBDMN CC(C)(C)c1cccc(OCCNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)c1 ZINC001126203611 842844811 /nfs/dbraw/zinc/84/48/11/842844811.db2.gz PHIZEEMMPOQZQI-UHFFFAOYSA-N 0 1 382.420 3.577 20 5 GHBDMN Cc1ccc(CN[C@H]2CCCN([C@@H](C)c3ccccc3F)C2=O)cc1[N+](=O)[O-] ZINC000555607345 861400346 /nfs/dbraw/zinc/40/03/46/861400346.db2.gz YXXXBRFXKBVNCN-KXBFYZLASA-N 0 1 385.439 3.884 20 5 GHBDMN CC[C@H]1C[C@]1(NCc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)c1cccc(C)c1 ZINC000500507492 843555975 /nfs/dbraw/zinc/55/59/75/843555975.db2.gz JOVGRGJPNBXMOH-HTAPYJJXSA-N 0 1 398.459 3.870 20 5 GHBDMN CCOc1ccccc1[C@@H](CC)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000509751231 843895600 /nfs/dbraw/zinc/89/56/00/843895600.db2.gz MNOIIRQEROAZBB-CQSZACIVSA-N 0 1 382.413 3.562 20 5 GHBDMN COc1cc(OCC(=O)Nc2cccc3c2CN(CC(C)C)C3)ccc1[N+](=O)[O-] ZINC000162178448 861479865 /nfs/dbraw/zinc/47/98/65/861479865.db2.gz ZAPCDJGVLYTOMO-UHFFFAOYSA-N 0 1 399.447 3.593 20 5 GHBDMN CSc1cccc(C(=O)N2CCCN(Cc3ccccc3C)CC2)c1[N+](=O)[O-] ZINC000614442894 844881959 /nfs/dbraw/zinc/88/19/59/844881959.db2.gz LMFAEKOJQXSNHA-UHFFFAOYSA-N 0 1 399.516 3.973 20 5 GHBDMN COC[C@H](C)N(CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCc2ccccc21 ZINC000599683238 861523614 /nfs/dbraw/zinc/52/36/14/861523614.db2.gz OMZCIKZTRDWEDB-KXBFYZLASA-N 0 1 383.448 3.558 20 5 GHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000611558307 845320822 /nfs/dbraw/zinc/32/08/22/845320822.db2.gz CNXVVKOHMWRVDN-UHFFFAOYSA-N 0 1 380.322 3.634 20 5 GHBDMN Cc1cc(C)c(S(=O)(=O)Nc2ncc(C)c(-c3ccccc3)n2)cc1[N+](=O)[O-] ZINC000433133226 845467533 /nfs/dbraw/zinc/46/75/33/845467533.db2.gz NTEOBBWEQZKWJE-UHFFFAOYSA-N 0 1 398.444 3.778 20 5 GHBDMN CC[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1cccc(Cl)c1 ZINC000182590803 845494570 /nfs/dbraw/zinc/49/45/70/845494570.db2.gz IUBGKKHPXBXFOD-OAHLLOKOSA-N 0 1 377.828 3.936 20 5 GHBDMN CCOCCC1(CN[C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CCCC1 ZINC000513678344 846224974 /nfs/dbraw/zinc/22/49/74/846224974.db2.gz LWKUKBPVSOHHEO-IBGZPJMESA-N 0 1 386.496 3.994 20 5 GHBDMN Cn1ccnc1[C@@H](NCCc1c[nH]c2ccccc12)c1ccc([N+](=O)[O-])cc1 ZINC000513661487 846227148 /nfs/dbraw/zinc/22/71/48/846227148.db2.gz PCEJJBNYVGEKJE-FQEVSTJZSA-N 0 1 375.432 3.731 20 5 GHBDMN O=C(NC1(c2cccc(Br)c2)CCCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000422016989 846770053 /nfs/dbraw/zinc/77/00/53/846770053.db2.gz HHZLQJGDWKUYSM-UHFFFAOYSA-N 0 1 393.241 3.670 20 5 GHBDMN NC(=O)c1ccc(CN2CCC([C@H](F)c3ccccc3F)CC2)c([N+](=O)[O-])c1 ZINC000511096736 846785384 /nfs/dbraw/zinc/78/53/84/846785384.db2.gz QIYOZLONJYZXHZ-IBGZPJMESA-N 0 1 389.402 3.756 20 5 GHBDMN Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@H]2NCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000185942835 846809336 /nfs/dbraw/zinc/80/93/36/846809336.db2.gz WBHRNHLXIHPQIM-UXHICEINSA-N 0 1 388.489 3.778 20 5 GHBDMN COc1cccc([C@@H]2[C@@H](NC(=O)c3cccc([N+](=O)[O-])c3C)CCN2C2CC2)c1 ZINC000183275001 847025785 /nfs/dbraw/zinc/02/57/85/847025785.db2.gz KTKGYEUBMIORGN-PZJWPPBQSA-N 0 1 395.459 3.620 20 5 GHBDMN CCN(CC)[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)c1ccco1 ZINC000599830101 861755485 /nfs/dbraw/zinc/75/54/85/861755485.db2.gz QJEGUBXLNCINAO-SFHVURJKSA-N 0 1 397.435 3.941 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC000582526468 847499746 /nfs/dbraw/zinc/49/97/46/847499746.db2.gz JEEMPOYLDSLISZ-UHFFFAOYSA-N 0 1 378.303 3.862 20 5 GHBDMN C[C@@H](NC(=O)NC[C@H](c1ccco1)N1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000604120669 861800658 /nfs/dbraw/zinc/80/06/58/861800658.db2.gz YUEDCCJJIQEFJQ-CRAIPNDOSA-N 0 1 386.452 3.775 20 5 GHBDMN O=[N+]([O-])c1ccc2oc(=S)n(CN3CCN(Cc4ccccc4)CC3)c2c1 ZINC000016834303 847680642 /nfs/dbraw/zinc/68/06/42/847680642.db2.gz HIFMGZQEYZFTRP-UHFFFAOYSA-N 0 1 384.461 3.647 20 5 GHBDMN O=[N+]([O-])c1cnc2ccc(N3CCC[C@H]3c3nc4ccc(Cl)cc4[nH]3)nn21 ZINC000502359595 847799134 /nfs/dbraw/zinc/79/91/34/847799134.db2.gz YXFGLTDMWJIXCD-ZDUSSCGKSA-N 0 1 383.799 3.509 20 5 GHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCc2cc(-c3ccccc3)oc2C1 ZINC000473543059 847840436 /nfs/dbraw/zinc/84/04/36/847840436.db2.gz BZXVPRSMRAOJMI-UHFFFAOYSA-N 0 1 388.383 3.930 20 5 GHBDMN O=[N+]([O-])c1ccc(CN[C@@H]2CCN(c3ccc(Br)cc3)C2)c(F)c1 ZINC000479920822 847948172 /nfs/dbraw/zinc/94/81/72/847948172.db2.gz SDEYTWYJYSMGRV-CQSZACIVSA-N 0 1 394.244 3.865 20 5 GHBDMN CC[C@@H]1CN(c2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000582727199 848160537 /nfs/dbraw/zinc/16/05/37/848160537.db2.gz CPHNEHTZCDLASW-QGZVFWFLSA-N 0 1 383.448 3.702 20 5 GHBDMN Cc1ccc([C@H](C)N[C@@H](C)C(=O)NCc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000178689928 848549260 /nfs/dbraw/zinc/54/92/60/848549260.db2.gz PNMYWNSQTKHTJK-KBPBESRZSA-N 0 1 375.856 3.912 20 5 GHBDMN CCC[C@@H](N[C@H](C)c1cccc(S(=O)(=O)NC)c1)c1cccc([N+](=O)[O-])c1 ZINC000161452475 848695168 /nfs/dbraw/zinc/69/51/68/848695168.db2.gz UXVWACATJUCNQD-AUUYWEPGSA-N 0 1 391.493 3.695 20 5 GHBDMN Cc1cccc([C@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C(F)(F)F)c1 ZINC000504327651 850025655 /nfs/dbraw/zinc/02/56/55/850025655.db2.gz DXEQKYPMVZSBEP-HNNXBMFYSA-N 0 1 378.310 3.813 20 5 GHBDMN CC[C@H](C)c1nc([C@H](C)Nc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)n[nH]1 ZINC000486796757 850106239 /nfs/dbraw/zinc/10/62/39/850106239.db2.gz LKDZDOWZUHNEQH-KBPBESRZSA-N 0 1 396.451 3.795 20 5 GHBDMN CN(C)[C@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1cccc(F)c1 ZINC000027592350 850450242 /nfs/dbraw/zinc/45/02/42/850450242.db2.gz GWWZBVPTLXJHLZ-MRXNPFEDSA-N 0 1 387.436 3.981 20 5 GHBDMN O=[N+]([O-])c1ccc(CN[C@H]2CCN(c3cccc(Br)c3)C2)c(F)c1 ZINC000487188278 850535475 /nfs/dbraw/zinc/53/54/75/850535475.db2.gz NSDGCPWRLSKUCU-AWEZNQCLSA-N 0 1 394.244 3.865 20 5 GHBDMN Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)c3ccc([N+](=O)[O-])c(C(=O)[O-])c3)C2)s1 ZINC000910378012 851177057 /nfs/dbraw/zinc/17/70/57/851177057.db2.gz CVIPWBHXSWMFFR-AWEZNQCLSA-N 0 1 389.477 3.621 20 5 GHBDMN CCCOC(=O)c1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)cc1 ZINC000766043054 862235922 /nfs/dbraw/zinc/23/59/22/862235922.db2.gz OYNSNEHDFSWFME-UHFFFAOYSA-N 0 1 392.433 3.579 20 5 GHBDMN COc1c(F)cc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1[N+](=O)[O-] ZINC000488301616 851376203 /nfs/dbraw/zinc/37/62/03/851376203.db2.gz WHLRPHSMZLQTDL-UHFFFAOYSA-N 0 1 395.195 3.850 20 5 GHBDMN COc1ccc2[nH]cc(C3=CCN(C(=O)c4cc(O)cc([N+](=O)[O-])c4)CC3)c2c1 ZINC000505783564 851399271 /nfs/dbraw/zinc/39/92/71/851399271.db2.gz SJAJYIGWBNHUIM-UHFFFAOYSA-N 0 1 393.399 3.720 20 5 GHBDMN O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCN(CC2CCCCC2)CC1 ZINC000488464511 851531734 /nfs/dbraw/zinc/53/17/34/851531734.db2.gz XBVSOXDGDJNQBZ-UHFFFAOYSA-N 0 1 397.422 3.534 20 5 GHBDMN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCC(CCN2CCOCC2)CC1 ZINC000507034753 852481466 /nfs/dbraw/zinc/48/14/66/852481466.db2.gz HWLSTKYBXGOSJR-UHFFFAOYSA-N 0 1 387.402 3.552 20 5 GHBDMN Cc1cc(S(=O)(=O)Nc2ccc(F)c(Br)c2)ccc1[N+](=O)[O-] ZINC000438723794 852779560 /nfs/dbraw/zinc/77/95/60/852779560.db2.gz NILWUDZKFSNPMA-UHFFFAOYSA-N 0 1 389.202 3.606 20 5 GHBDMN O=C(NCCc1cc(Cl)ccc1Br)c1cc(O)cc([N+](=O)[O-])c1 ZINC000507329952 852799524 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0 1 388.493 3.633 20 5 GHBDMN O=C(NC[C@H](c1ccco1)N1CCCCC1)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000055415893 853906850 /nfs/dbraw/zinc/90/68/50/853906850.db2.gz CMGCZGFQALWAEN-GOSISDBHSA-N 0 1 382.420 3.626 20 5 GHBDMN Cc1ccc(CN2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)cc1[N+](=O)[O-] ZINC000589197895 854743107 /nfs/dbraw/zinc/74/31/07/854743107.db2.gz ORQFQISHCJYICT-HNNXBMFYSA-N 0 1 381.354 3.970 20 5 GHBDMN Cc1ccc(CN2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)cc1[N+](=O)[O-] ZINC000589197898 854743257 /nfs/dbraw/zinc/74/32/57/854743257.db2.gz ORQFQISHCJYICT-OAHLLOKOSA-N 0 1 381.354 3.970 20 5 GHBDMN C[C@@H]1C[N@H+](Cc2ccc(CNc3cc(C(=O)[O-])ccc3[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000572527785 854863499 /nfs/dbraw/zinc/86/34/99/854863499.db2.gz MFEZCTMWNUMGIY-GASCZTMLSA-N 0 1 399.447 3.514 20 5 GHBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN(C)C[C@@H]2CCCO[C@H]2c2ccccc2)c1 ZINC000589499440 854911369 /nfs/dbraw/zinc/91/13/69/854911369.db2.gz QSTWWAHNXDYVNP-RXVVDRJESA-N 0 1 398.459 3.981 20 5 GHBDMN 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/nfs/dbraw/zinc/99/98/58/855999858.db2.gz ZAOAFYHPTZCVBX-MRVPVSSYSA-N 0 1 391.840 3.894 20 5 GHBDMN CCOc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)c(C)c1 ZINC000184815558 856291212 /nfs/dbraw/zinc/29/12/12/856291212.db2.gz CSGHEXFMAPTVJU-UHFFFAOYSA-N 0 1 387.417 3.651 20 5 GHBDMN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1[nH]nc2ccc(Br)cc21 ZINC000171957055 856314066 /nfs/dbraw/zinc/31/40/66/856314066.db2.gz TWQBZTYVTQWPHI-UHFFFAOYSA-N 0 1 389.209 3.506 20 5 GHBDMN O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3cc(Cl)cc4cccnc43)C2)nc1 ZINC000172358617 856409942 /nfs/dbraw/zinc/40/99/42/856409942.db2.gz IQGPUZLBRIUPRJ-INIZCTEOSA-N 0 1 383.839 3.878 20 5 GHBDMN O=[N+]([O-])c1cccc(NS(=O)(=O)c2cc(Cl)ccc2Br)c1 ZINC000485395348 856457584 /nfs/dbraw/zinc/45/75/84/856457584.db2.gz NGKLUBUHMPSNHO-UHFFFAOYSA-N 0 1 391.630 3.812 20 5 GHBDMN O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccc(Br)c(Cl)c2)cc1 ZINC000542930759 856882400 /nfs/dbraw/zinc/88/24/00/856882400.db2.gz WDNUHAVKJYNLGT-UHFFFAOYSA-N 0 1 391.630 3.812 20 5 GHBDMN C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000569107190 856919822 /nfs/dbraw/zinc/91/98/22/856919822.db2.gz PJKZYAROCTWUHQ-ZDUSSCGKSA-N 0 1 389.839 3.830 20 5 GHBDMN COc1cc([C@@H](C)NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)ccc1OC(C)C ZINC000026949117 857083370 /nfs/dbraw/zinc/08/33/70/857083370.db2.gz DYRUKNHOTRTVGX-GFCCVEGCSA-N 0 1 398.419 3.758 20 5 GHBDMN Cc1csc(Sc2ccc(-c3nc([C@H]4CCCN4)no3)cc2[N+](=O)[O-])n1 ZINC000592357187 857194640 /nfs/dbraw/zinc/19/46/40/857194640.db2.gz SPWSGUMDAHAVCI-LLVKDONJSA-N 0 1 389.462 3.985 20 5 GHBDMN COC(C)(C)CN[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000174262540 857238778 /nfs/dbraw/zinc/23/87/78/857238778.db2.gz BTMQRQOFLMNIRH-KRWDZBQOSA-N 0 1 391.855 3.943 20 5 GHBDMN C[C@@H](NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)c1nnc[nH]1 ZINC000174546844 857341411 /nfs/dbraw/zinc/34/14/11/857341411.db2.gz BFNGDVXAENSIRP-SNVBAGLBSA-N 0 1 387.783 3.650 20 5 GHBDMN C[C@@H]1CN(Cc2ccc(CNc3ncc(Cl)cc3[N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000301750324 857551932 /nfs/dbraw/zinc/55/19/32/857551932.db2.gz UIWYHAOJHKNPCI-ZIAGYGMSSA-N 0 1 390.871 3.865 20 5 GHBDMN C[C@@H]1CN(Cc2ccc(CNc3ncc(Cl)cc3[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000301750323 857552097 /nfs/dbraw/zinc/55/20/97/857552097.db2.gz UIWYHAOJHKNPCI-OKILXGFUSA-N 0 1 390.871 3.865 20 5 GHBDMN COc1ccc(Cl)cc1CN(C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000027739548 857637084 /nfs/dbraw/zinc/63/70/84/857637084.db2.gz FNIGQGUTJHBPTF-UHFFFAOYSA-N 0 1 377.828 3.717 20 5 GHBDMN CCOc1ccc(C(=O)N2CCCN(Cc3ccccc3C)CC2)cc1[N+](=O)[O-] ZINC000027387770 857962954 /nfs/dbraw/zinc/96/29/54/857962954.db2.gz GPIDZHSTJIUXFB-UHFFFAOYSA-N 0 1 397.475 3.650 20 5 GHBDMN COC(=O)c1ccc2c(c1)CN(c1cc(C)nc3ccc([N+](=O)[O-])cc31)CC2 ZINC000543048125 858099568 /nfs/dbraw/zinc/09/95/68/858099568.db2.gz VCSVBDSFFXUGGE-UHFFFAOYSA-N 0 1 377.400 3.801 20 5 GHBDMN CCC[C@H](N[C@@H]1CCc2c1cccc2[N+](=O)[O-])C(=O)N1CCc2sccc2C1 ZINC000594495364 858192225 /nfs/dbraw/zinc/19/22/25/858192225.db2.gz RDRCYIRGPHYSRR-MSOLQXFVSA-N 0 1 399.516 3.987 20 5 GHBDMN CCC[C@@H](N[C@H]1CCc2c1cccc2[N+](=O)[O-])C(=O)N1CCc2sccc2C1 ZINC000594495368 858192551 /nfs/dbraw/zinc/19/25/51/858192551.db2.gz RDRCYIRGPHYSRR-ZWKOTPCHSA-N 0 1 399.516 3.987 20 5 GHBDMN CCOc1ccc(CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C(C)C)cc1 ZINC000521760634 858305006 /nfs/dbraw/zinc/30/50/06/858305006.db2.gz KVOKUCHGNGTDNZ-UHFFFAOYSA-N 0 1 382.420 3.921 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](c1ccccc1F)C(C)C ZINC000595686151 858647188 /nfs/dbraw/zinc/64/71/88/858647188.db2.gz QYMHFFMPDONAKL-IBGZPJMESA-N 0 1 375.400 3.668 20 5 GHBDMN COC(=O)[C@@H]1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H]2CCCC[C@@H]12 ZINC000595733517 858669693 /nfs/dbraw/zinc/66/96/93/858669693.db2.gz RFJKCKWTPIOFBN-IPMKNSEASA-N 0 1 399.447 3.804 20 5 GHBDMN COC(=O)c1cnc([C@H]2CCCN([C@H](C)c3ccccc3[N+](=O)[O-])C2)s1 ZINC000595921082 858735282 /nfs/dbraw/zinc/73/52/82/858735282.db2.gz SSDRALNVKKNXFX-OLZOCXBDSA-N 0 1 375.450 3.779 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N(C)Cc2ccc(F)cc2Br)c1[N+](=O)[O-] ZINC000482792069 858865704 /nfs/dbraw/zinc/86/57/04/858865704.db2.gz HILJNZXNLURXLV-UHFFFAOYSA-N 0 1 399.220 3.615 20 5 GHBDMN CC(C)(C)C1=CCN(CCNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC1 ZINC000556991197 881355021 /nfs/dbraw/zinc/35/50/21/881355021.db2.gz SBLRKDYKVHZQNO-UHFFFAOYSA-N 0 1 397.422 3.604 20 5 GHBDMN C[C@H](C(=O)NCc1cccc([N+](=O)[O-])c1)N1CCC(Cc2ccccc2)CC1 ZINC000522242416 858885139 /nfs/dbraw/zinc/88/51/39/858885139.db2.gz UURJVHUBHJRPOD-QGZVFWFLSA-N 0 1 381.476 3.554 20 5 GHBDMN O=C(Nc1nc2ccc(Br)cc2[nH]1)c1ccc(F)cc1[N+](=O)[O-] ZINC000466267184 858932702 /nfs/dbraw/zinc/93/27/02/858932702.db2.gz YNUGPKKAXBAJTA-UHFFFAOYSA-N 0 1 379.145 3.625 20 5 GHBDMN CN(C)[C@H](CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1ccsc1 ZINC000543255744 859046096 /nfs/dbraw/zinc/04/60/96/859046096.db2.gz AJQVMSVCHDISQZ-CQSZACIVSA-N 0 1 399.925 3.821 20 5 GHBDMN Cc1cc(F)cc(C(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000760593619 859197380 /nfs/dbraw/zinc/19/73/80/859197380.db2.gz VUHNUIDLPDOCQK-SFHVURJKSA-N 0 1 385.439 3.779 20 5 GHBDMN Cc1ccnc(-c2ccc(NS(=O)(=O)c3cc([N+](=O)[O-])cc(C)c3C)cc2)n1 ZINC000522365365 859223226 /nfs/dbraw/zinc/22/32/26/859223226.db2.gz SXBVIJOJCUPREA-UHFFFAOYSA-N 0 1 398.444 3.778 20 5 GHBDMN COc1cc(C(=O)Nc2ccccc2-c2nnc(C(C)C)[nH]2)ccc1[N+](=O)[O-] ZINC000160849312 859288240 /nfs/dbraw/zinc/28/82/40/859288240.db2.gz BWCWKSLQHGSBCZ-UHFFFAOYSA-N 0 1 381.392 3.764 20 5 GHBDMN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](c2ccccc2)C(F)(F)F)cc1C ZINC000060505385 859396912 /nfs/dbraw/zinc/39/69/12/859396912.db2.gz SJCSRLGEIZIEHZ-HNNXBMFYSA-N 0 1 388.367 3.794 20 5 GHBDMN CCCCCc1cc(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n[nH]1 ZINC000597313342 859448670 /nfs/dbraw/zinc/44/86/70/859448670.db2.gz JLJBLBGRFVLOPP-UHFFFAOYSA-N 0 1 386.452 3.734 20 5 GHBDMN CCc1ccc([C@H](NCC2(O)Cc3ccccc3C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543403986 859588166 /nfs/dbraw/zinc/58/81/66/859588166.db2.gz DSCPGNOZHJHTGS-JOCHJYFZSA-N 0 1 392.455 3.959 20 5 GHBDMN CCN1CCN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C[C@H]1C ZINC000611095398 859608529 /nfs/dbraw/zinc/60/85/29/859608529.db2.gz ZNPDDVGKZBBUKX-OAHLLOKOSA-N 0 1 384.436 3.945 20 5 GHBDMN COC(=O)c1ccc(C(C)C)c(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000466470975 859660238 /nfs/dbraw/zinc/66/02/38/859660238.db2.gz AWUNPXXSDRKDIG-UHFFFAOYSA-N 0 1 392.433 3.614 20 5 GHBDMN COc1ccc(C[C@@H](C)N2CCC(O)(c3ccccc3F)CC2)c([N+](=O)[O-])c1 ZINC001170345402 881451552 /nfs/dbraw/zinc/45/15/52/881451552.db2.gz JUSONYVUEHGYEE-OAHLLOKOSA-N 0 1 388.439 3.657 20 5 GHBDMN Cc1cc(N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000520412275 881458592 /nfs/dbraw/zinc/45/85/92/881458592.db2.gz RJUWLDYQNYZDPM-QGZVFWFLSA-N 0 1 383.448 3.560 20 5 GHBDMN CC(C)CN1Cc2cccc(NC(=O)c3cc([N+](=O)[O-])cc4c3OCCO4)c2C1 ZINC000534343436 859761871 /nfs/dbraw/zinc/76/18/71/859761871.db2.gz DVRCXGIEOSEPQO-UHFFFAOYSA-N 0 1 397.431 3.590 20 5 GHBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)[C@H]1CCc2c1cccc2Cl ZINC000611442242 859762958 /nfs/dbraw/zinc/76/29/58/859762958.db2.gz FKINBLJYSWVTSN-AWEZNQCLSA-N 0 1 383.795 3.702 20 5 GHBDMN CCN(CC)Cc1ccc(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000611499352 859786683 /nfs/dbraw/zinc/78/66/83/859786683.db2.gz PKFCKYSPXGQNQR-UHFFFAOYSA-N 0 1 379.844 3.656 20 5 GHBDMN CCOC(=O)c1cc(C(=O)Nc2cc(F)cc(Cl)c2O)cc([N+](=O)[O-])c1 ZINC000474444044 860113492 /nfs/dbraw/zinc/11/34/92/860113492.db2.gz GGMJHONLRPGYHB-UHFFFAOYSA-N 0 1 382.731 3.522 20 5 GHBDMN CCCc1[nH]nc(C(=O)N2CCC[C@H](Oc3ccccc3Cl)C2)c1[N+](=O)[O-] ZINC000131347856 860168122 /nfs/dbraw/zinc/16/81/22/860168122.db2.gz NISRYFRXVIRSPN-LBPRGKRZSA-N 0 1 392.843 3.607 20 5 GHBDMN Cc1ccc(NC(=O)c2cc(Br)cc3nc[nH]c32)cc1[N+](=O)[O-] ZINC000499988119 860398299 /nfs/dbraw/zinc/39/82/99/860398299.db2.gz NXVPATROTAZWCE-UHFFFAOYSA-N 0 1 375.182 3.794 20 5 GHBDMN C[C@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(-c2ccncc2)cc1 ZINC000155106260 860401149 /nfs/dbraw/zinc/40/11/49/860401149.db2.gz ZGGWWFYKJUNOML-HNNXBMFYSA-N 0 1 376.416 3.946 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2ncn(CN3CCC[C@H](Cc4ccccc4)C3)n2)cc1 ZINC000729984947 860485414 /nfs/dbraw/zinc/48/54/14/860485414.db2.gz BOOPUSYALNXTBZ-GOSISDBHSA-N 0 1 377.448 3.766 20 5 GHBDMN CC(=O)c1ccc(NC(=O)CCN(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000155704950 860580756 /nfs/dbraw/zinc/58/07/56/860580756.db2.gz RTEVQXHDNGXDHC-UHFFFAOYSA-N 0 1 381.432 3.791 20 5 GHBDMN C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000603673057 861005060 /nfs/dbraw/zinc/00/50/60/861005060.db2.gz QCTYFIQTUFYHTG-HNNXBMFYSA-N 0 1 383.448 3.605 20 5 GHBDMN CC1(C)CN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CCN1Cc1ccccc1 ZINC000609192581 881612678 /nfs/dbraw/zinc/61/26/78/881612678.db2.gz SNPRWBPXXSZDMX-UHFFFAOYSA-N 0 1 392.459 3.813 20 5 GHBDMN CCc1[nH]nc(C(=O)N2CCC[C@@H]2Cc2c(F)cccc2Cl)c1[N+](=O)[O-] ZINC000444040716 863201783 /nfs/dbraw/zinc/20/17/83/863201783.db2.gz ZJERZFSXZGIUIW-SNVBAGLBSA-N 0 1 380.807 3.520 20 5 GHBDMN CCc1[nH]nc(C(=O)N(Cc2ccccc2)Cc2ccccc2F)c1[N+](=O)[O-] ZINC000444045529 863221464 /nfs/dbraw/zinc/22/14/64/863221464.db2.gz VTKXFRPEPVPVSW-UHFFFAOYSA-N 0 1 382.395 3.862 20 5 GHBDMN COC(=O)COc1ccc(CN(C)Cc2ccc(C(C)C)c([N+](=O)[O-])c2)cc1 ZINC000482501748 863227515 /nfs/dbraw/zinc/22/75/15/863227515.db2.gz CDDXLARJBPMKOH-UHFFFAOYSA-N 0 1 386.448 3.902 20 5 GHBDMN Cc1ccc2nc([C@@H]3CCCN(C(=O)CNc4ccccc4[N+](=O)[O-])C3)[nH]c2c1 ZINC000159994681 863230932 /nfs/dbraw/zinc/23/09/32/863230932.db2.gz DLWZORSADFBJOQ-OAHLLOKOSA-N 0 1 393.447 3.598 20 5 GHBDMN CCc1cc(CNCc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)[nH]n1 ZINC000733900734 863331217 /nfs/dbraw/zinc/33/12/17/863331217.db2.gz DCXZJIOFYIKIFZ-UHFFFAOYSA-N 0 1 396.447 3.758 20 5 GHBDMN CCc1cc(CNCc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)n[nH]1 ZINC000733900734 863331226 /nfs/dbraw/zinc/33/12/26/863331226.db2.gz DCXZJIOFYIKIFZ-UHFFFAOYSA-N 0 1 396.447 3.758 20 5 GHBDMN O=C(CSc1nc(C=Cc2ccccc2)n[nH]1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000842131417 864034341 /nfs/dbraw/zinc/03/43/41/864034341.db2.gz CBENLKUITQOETN-TWGQIWQCSA-N 0 1 399.407 3.753 20 5 GHBDMN CC[C@@](C)(COc1ncccc1Cl)NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792873213 881762719 /nfs/dbraw/zinc/76/27/19/881762719.db2.gz RURKTVJBKVLHMR-KRWDZBQOSA-N 0 1 394.815 3.889 20 5 GHBDMN COc1c(C(=O)Nc2nc(-c3ccc(C(C)(C)C)cc3)n[nH]2)cccc1[N+](=O)[O-] ZINC000475326301 864785661 /nfs/dbraw/zinc/78/56/61/864785661.db2.gz UIKJXRFSZGGBIU-UHFFFAOYSA-N 0 1 395.419 3.938 20 5 GHBDMN COc1c(C(=O)N2CCC[C@@H]2c2nc3ccc(C)cc3[nH]2)cccc1[N+](=O)[O-] ZINC000475388759 864923087 /nfs/dbraw/zinc/92/30/87/864923087.db2.gz QSDMFGDWBIBGSY-QGZVFWFLSA-N 0 1 380.404 3.765 20 5 GHBDMN C[C@H](C(=O)N1CCCN(Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000184913601 865042183 /nfs/dbraw/zinc/04/21/83/865042183.db2.gz HTHPADHTRBAGGH-INIZCTEOSA-N 0 1 385.439 3.572 20 5 GHBDMN C[C@@H]1C[C@H](c2ccc(F)cc2)CN1Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000736597249 865247939 /nfs/dbraw/zinc/24/79/39/865247939.db2.gz WNXAYKWUSVNHAU-PBHICJAKSA-N 0 1 381.411 3.828 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2noc(CN3CC[C@@H](Cc4ccc(F)cc4)C3)n2)cc1 ZINC000121293131 865276263 /nfs/dbraw/zinc/27/62/63/865276263.db2.gz ZBDWRJNWPMZXJD-HNNXBMFYSA-N 0 1 382.395 3.849 20 5 GHBDMN CCCNC(=O)CNCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000121300139 865337419 /nfs/dbraw/zinc/33/74/19/865337419.db2.gz UEIPCFNDEIIBGE-UHFFFAOYSA-N 0 1 377.828 3.656 20 5 GHBDMN COc1cc(CNC[C@H](O)c2ccco2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000747098934 881871426 /nfs/dbraw/zinc/87/14/26/881871426.db2.gz JFTDFVRWZMGRKU-SFHVURJKSA-N 0 1 398.415 3.599 20 5 GHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc3nc(C4CC4)sc3c2)cc1 ZINC000063879512 865526513 /nfs/dbraw/zinc/52/65/13/865526513.db2.gz PZZQETDOEQWPLH-UHFFFAOYSA-N 0 1 375.431 3.883 20 5 GHBDMN COCCN(CCc1ccccc1)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000534113336 866141908 /nfs/dbraw/zinc/14/19/08/866141908.db2.gz CDTBSNVWPIYGQG-UHFFFAOYSA-N 0 1 381.432 3.941 20 5 GHBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC001170425895 881947098 /nfs/dbraw/zinc/94/70/98/881947098.db2.gz URBKYBAAWGQYBT-INIZCTEOSA-N 0 1 399.403 3.669 20 5 GHBDMN O=C(Cc1cccc([N+](=O)[O-])c1)Nc1cc(Br)cc(Cl)c1O ZINC000534206416 866272881 /nfs/dbraw/zinc/27/28/81/866272881.db2.gz RIQRBYIQZYGWGD-UHFFFAOYSA-N 0 1 385.601 3.898 20 5 GHBDMN O=C(OCc1cc(F)ccc1[N+](=O)[O-])[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000741328806 866411274 /nfs/dbraw/zinc/41/12/74/866411274.db2.gz VLGBCVLKJAFOGR-HNNXBMFYSA-N 0 1 390.386 3.828 20 5 GHBDMN C[C@@H](N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cc2cccc(F)c2o1 ZINC000475699697 882027808 /nfs/dbraw/zinc/02/78/08/882027808.db2.gz XPWJDAOJMXVBSZ-SJKOYZFVSA-N 0 1 383.379 3.936 20 5 GHBDMN Cc1ncc(-c2ccccc2)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000534793361 867501722 /nfs/dbraw/zinc/50/17/22/867501722.db2.gz MIFBZDFSBNLWFT-UHFFFAOYSA-N 0 1 387.392 3.905 20 5 GHBDMN CCCN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@H]1CCCc2cccnc21 ZINC000479364801 867630233 /nfs/dbraw/zinc/63/02/33/867630233.db2.gz WUPTWMLEZSWZEN-KRWDZBQOSA-N 0 1 379.420 3.796 20 5 GHBDMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000445082585 867719892 /nfs/dbraw/zinc/71/98/92/867719892.db2.gz KKUIAURTYDRCQT-UHFFFAOYSA-N 0 1 393.875 3.653 20 5 GHBDMN COc1cccc(F)c1NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000479536178 867966098 /nfs/dbraw/zinc/96/60/98/867966098.db2.gz KIRSWZDCGRVTAP-UHFFFAOYSA-N 0 1 395.195 3.850 20 5 GHBDMN COc1ccc([C@@H](C)NCC(=O)Nc2ccc([N+](=O)[O-])cc2C)c(C)c1OC ZINC000553960129 868501729 /nfs/dbraw/zinc/50/17/29/868501729.db2.gz VRQVCIULAPVJNV-CQSZACIVSA-N 0 1 387.436 3.518 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCc1cc(F)ccc1F ZINC000462293728 869183871 /nfs/dbraw/zinc/18/38/71/869183871.db2.gz JISRUFNQAVASLD-UHFFFAOYSA-N 0 1 397.186 3.658 20 5 GHBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(-c2nccc(C)n2)c1 ZINC000524549739 869241205 /nfs/dbraw/zinc/24/12/05/869241205.db2.gz OASLNQXWFBWXFV-UHFFFAOYSA-N 0 1 398.444 3.723 20 5 GHBDMN Cn1cc(CN2Cc3ccc(O)cc3C3(CC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000462832391 870181193 /nfs/dbraw/zinc/18/11/93/870181193.db2.gz GZAUIDLTEICMFB-UHFFFAOYSA-N 0 1 390.443 3.748 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2cc(NS(=O)(=O)Cc3ccccc3Cl)[nH]n2)c1 ZINC000446785098 870400388 /nfs/dbraw/zinc/40/03/88/870400388.db2.gz KNVQKVYLNWELCU-UHFFFAOYSA-N 0 1 392.824 3.580 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2cc(NS(=O)(=O)Cc3ccccc3Cl)n[nH]2)c1 ZINC000446785098 870400393 /nfs/dbraw/zinc/40/03/93/870400393.db2.gz KNVQKVYLNWELCU-UHFFFAOYSA-N 0 1 392.824 3.580 20 5 GHBDMN O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2N[C@@H]2CCOc3c(F)ccc(F)c32)n1 ZINC000462950382 870511566 /nfs/dbraw/zinc/51/15/66/870511566.db2.gz QYAJWIFLCMNGQK-KFWWJZLASA-N 0 1 378.379 3.667 20 5 GHBDMN CNc1c(C(=O)Nc2nc3ccc(Br)cc3[nH]2)cccc1[N+](=O)[O-] ZINC000462992819 870639676 /nfs/dbraw/zinc/63/96/76/870639676.db2.gz NWRKXVYATBWEAR-UHFFFAOYSA-N 0 1 390.197 3.528 20 5 GHBDMN CC(C)(CNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])CC(F)(F)F ZINC001192904230 870760447 /nfs/dbraw/zinc/76/04/47/870760447.db2.gz BRKHRCDZXTUJRT-UHFFFAOYSA-N 0 1 392.758 3.644 20 5 GHBDMN COc1ccc(-c2nsc(NC(=O)c3cc(F)c(F)cc3[N+](=O)[O-])n2)cc1 ZINC000103034969 871071376 /nfs/dbraw/zinc/07/13/76/871071376.db2.gz PQWXOESMODUZPC-UHFFFAOYSA-N 0 1 392.343 3.652 20 5 GHBDMN Cn1cnc([N+](=O)[O-])c1CN[C@H](c1ccc(Br)cc1)C1CCC1 ZINC000540375770 871108777 /nfs/dbraw/zinc/10/87/77/871108777.db2.gz KOYXPXMNICWMCZ-HNNXBMFYSA-N 0 1 379.258 3.722 20 5 GHBDMN Cc1ccccc1C1CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC001169103577 871177057 /nfs/dbraw/zinc/17/70/57/871177057.db2.gz VWEMXGKBEZFBLN-NRFANRHFSA-N 0 1 379.460 3.888 20 5 GHBDMN CNc1ccc(C(=O)Nc2nc3ccc(Br)cc3[nH]2)cc1[N+](=O)[O-] ZINC000525727167 871344230 /nfs/dbraw/zinc/34/42/30/871344230.db2.gz SLNYTGLVCPZOTB-UHFFFAOYSA-N 0 1 390.197 3.528 20 5 GHBDMN COc1ccccc1[C@H](CC(C)C)NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000540475072 871352302 /nfs/dbraw/zinc/35/23/02/871352302.db2.gz BUKIXHNEOWSRLH-IBGZPJMESA-N 0 1 397.475 3.870 20 5 GHBDMN CC1(C)CC[C@@H]2C[C@@H](NS(=O)(=O)c3cccnc3[N+](=O)[O-])c3cccc1c32 ZINC000540653361 871849430 /nfs/dbraw/zinc/84/94/30/871849430.db2.gz FFTFMCDUBXSTLR-IUODEOHRSA-N 0 1 387.461 3.568 20 5 GHBDMN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2NCc2nccn2CCc2ccccc2)n1 ZINC000447582054 871881613 /nfs/dbraw/zinc/88/16/13/871881613.db2.gz XMUQFBXSZKBDSV-RTBURBONSA-N 0 1 394.479 3.504 20 5 GHBDMN CCN(C[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1)CC(F)(F)F ZINC000182211877 872011494 /nfs/dbraw/zinc/01/14/94/872011494.db2.gz KTLAGWLBGLINPG-GFCCVEGCSA-N 0 1 379.810 3.954 20 5 GHBDMN CN(C)[C@H]1CCOc2c(NC(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)cccc21 ZINC000447722669 872210281 /nfs/dbraw/zinc/21/02/81/872210281.db2.gz KJGXBERJAJFGJB-SFHVURJKSA-N 0 1 396.447 3.807 20 5 GHBDMN CCc1cc(C)cc(CC)c1NS(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000619507939 872694044 /nfs/dbraw/zinc/69/40/44/872694044.db2.gz KNFFQGQHSKFZAS-UHFFFAOYSA-N 0 1 378.450 3.837 20 5 GHBDMN CC1(CNCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)OCCO1 ZINC000768633692 873457362 /nfs/dbraw/zinc/45/73/62/873457362.db2.gz PBVPVKXLRIGHIB-UHFFFAOYSA-N 0 1 378.812 3.893 20 5 GHBDMN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000448648565 873721438 /nfs/dbraw/zinc/72/14/38/873721438.db2.gz MDSLODNSDQXCMH-FQEVSTJZSA-N 0 1 395.459 3.511 20 5 GHBDMN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1CCC(OC2CCCC2)CC1 ZINC000448848899 874074693 /nfs/dbraw/zinc/07/46/93/874074693.db2.gz QQWTVXDUFOWSRE-UHFFFAOYSA-N 0 1 384.436 3.549 20 5 GHBDMN CC(C)c1ccc(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1[N+](=O)[O-] ZINC000769462025 874086396 /nfs/dbraw/zinc/08/63/96/874086396.db2.gz FMPYUEPJRMUWEM-OAHLLOKOSA-N 0 1 385.424 3.708 20 5 GHBDMN C[C@H](NCc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000541687418 874093265 /nfs/dbraw/zinc/09/32/65/874093265.db2.gz SQTZFNMCJQRQIX-WTOJCKNJSA-N 0 1 380.404 3.688 20 5 GHBDMN CN(C)C(=O)N[C@H]1CCCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000449747671 875343304 /nfs/dbraw/zinc/34/33/04/875343304.db2.gz XUIYVRRYJOCJKM-AWEZNQCLSA-N 0 1 388.493 3.559 20 5 GHBDMN O=[N+]([O-])c1ccc([O-])cc1CN1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000549865627 875730260 /nfs/dbraw/zinc/73/02/60/875730260.db2.gz PCOYYOANAOUYBT-JOCHJYFZSA-N 0 1 381.476 3.789 20 5 GHBDMN Cc1ccc(NC(=O)c2ccc(NCc3n[nH]c(C4CC4)n3)c([N+](=O)[O-])c2)cc1 ZINC000450630166 876709081 /nfs/dbraw/zinc/70/90/81/876709081.db2.gz TXBCJJOZDRTEBT-UHFFFAOYSA-N 0 1 392.419 3.763 20 5 GHBDMN CCCCCNC(=O)C1CCN(Cc2ccc([N+](=O)[O-])c(OCC)c2)CC1 ZINC000492415026 876769462 /nfs/dbraw/zinc/76/94/62/876769462.db2.gz FBYVLPIACJJRMD-UHFFFAOYSA-N 0 1 377.485 3.512 20 5 GHBDMN CC(C)c1nnc(-c2ccccc2NC(=O)CCNc2ccccc2[N+](=O)[O-])[nH]1 ZINC000492636030 877237396 /nfs/dbraw/zinc/23/73/96/877237396.db2.gz KPXUICZUFKPNGC-UHFFFAOYSA-N 0 1 394.435 3.944 20 5 GHBDMN Cc1cc(N2CCCC2)ccc1NC(=O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451106165 877364511 /nfs/dbraw/zinc/36/45/11/877364511.db2.gz VPGBBGOFMPREIZ-INIZCTEOSA-N 0 1 382.464 3.793 20 5 GHBDMN COc1cc(Cl)c(C)cc1NC(=O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451107470 877365860 /nfs/dbraw/zinc/36/58/60/877365860.db2.gz RWHSWACBTJIPQZ-LBPRGKRZSA-N 0 1 377.828 3.855 20 5 GHBDMN C[C@H](NCC(=O)NCc1ccc(F)cc1C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000451107012 877367588 /nfs/dbraw/zinc/36/75/88/877367588.db2.gz QXRDIFFKLHDAOZ-NSHDSACASA-N 0 1 399.344 3.720 20 5 GHBDMN CCOc1cc(CN[C@H](C)c2cccc(N3CCCC3=O)c2)ccc1[N+](=O)[O-] ZINC000492764161 877498870 /nfs/dbraw/zinc/49/88/70/877498870.db2.gz BGVKYJZRAICFGQ-OAHLLOKOSA-N 0 1 383.448 3.971 20 5 GHBDMN CN(C(=O)CNC1(c2cccc(C(F)(F)F)c2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000477435908 877649209 /nfs/dbraw/zinc/64/92/09/877649209.db2.gz JRNGSPDJPPTWNH-UHFFFAOYSA-N 0 1 393.365 3.855 20 5 GHBDMN CC(C)(NC(=O)NC[C@H](c1ccco1)N1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000487535745 877663801 /nfs/dbraw/zinc/66/38/01/877663801.db2.gz IZBXDIFQVKGDNN-QGZVFWFLSA-N 0 1 386.452 3.559 20 5 GHBDMN COc1cccc([C@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)N(C)C)c1 ZINC000787810563 877676643 /nfs/dbraw/zinc/67/66/43/877676643.db2.gz GTOWAXCLOVTURG-INIZCTEOSA-N 0 1 392.843 3.681 20 5 GHBDMN CCN(CC)[C@H](CNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])c1ccco1 ZINC000477621023 877958882 /nfs/dbraw/zinc/95/88/82/877958882.db2.gz XQWYBWQIKOLPHZ-OAHLLOKOSA-N 0 1 379.844 3.963 20 5 GHBDMN O=[N+]([O-])c1cccc([C@H](O)CN2CCc3nc(-c4ccccc4)sc3C2)c1 ZINC000852474405 878356436 /nfs/dbraw/zinc/35/64/36/878356436.db2.gz ARGQVUDHUUCYKT-GOSISDBHSA-N 0 1 381.457 3.810 20 5 GHBDMN CCOC(=O)N(C)C1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000130840970 878752579 /nfs/dbraw/zinc/75/25/79/878752579.db2.gz PILWMXHMCVECGM-UHFFFAOYSA-N 0 1 387.436 3.908 20 5 GHBDMN O=[N+]([O-])c1cn(CN2CC[C@H](Cc3ccc(F)cc3)C2)nc1-c1ccccn1 ZINC000853497406 879063699 /nfs/dbraw/zinc/06/36/99/879063699.db2.gz YHBQIDJRSOLABO-MRXNPFEDSA-N 0 1 381.411 3.515 20 5 GHBDMN C[C@H]1C[C@H](c2ccc(F)cc2)CN1Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853497032 879063829 /nfs/dbraw/zinc/06/38/29/879063829.db2.gz OHHZYAHQYJXUKO-HOCLYGCPSA-N 0 1 381.411 3.828 20 5 GHBDMN COc1ccc(C[C@H](C)CN(C)Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)cc1 ZINC000853505399 879068066 /nfs/dbraw/zinc/06/80/66/879068066.db2.gz WKANMENBYIOKBR-INIZCTEOSA-N 0 1 395.463 3.630 20 5 GHBDMN O=C1[C@H](NCc2ccc([N+](=O)[O-])c(Cl)c2)CCN1c1ccc(Cl)c(F)c1 ZINC000761525209 879245758 /nfs/dbraw/zinc/24/57/58/879245758.db2.gz DGWBQOYGBGCFQX-OAHLLOKOSA-N 0 1 398.221 3.936 20 5 GHBDMN Cc1ccc(C=Cc2n[nH]c(SCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])n2)o1 ZINC000789907356 879352803 /nfs/dbraw/zinc/35/28/03/879352803.db2.gz HPFWEEOIMPAODK-SREVYHEPSA-N 0 1 387.377 3.985 20 5 GHBDMN Cc1c(CN[C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)cccc1[N+](=O)[O-] ZINC000790541084 879793596 /nfs/dbraw/zinc/79/35/96/879793596.db2.gz CKSCBSUVDPZMJQ-MRXNPFEDSA-N 0 1 393.365 3.817 20 5 GHBDMN O=C(Nc1ccc2nc(-c3cccc(F)c3)[nH]c2c1)c1ccc([N+](=O)[O-])cn1 ZINC000531627531 880214087 /nfs/dbraw/zinc/21/40/87/880214087.db2.gz LLTKAOMFDTXVQF-UHFFFAOYSA-N 0 1 377.335 3.925 20 5 GHBDMN CCc1nc(C2CCN(c3ccc(C)c(Br)c3[N+](=O)[O-])CC2)n[nH]1 ZINC000804647735 883164006 /nfs/dbraw/zinc/16/40/06/883164006.db2.gz AVZXUQFJWSTTKM-UHFFFAOYSA-N 0 1 394.273 3.730 20 5 GHBDMN CCc1nnc(C2CCN(c3ccc(C)c(Br)c3[N+](=O)[O-])CC2)[nH]1 ZINC000804647735 883164010 /nfs/dbraw/zinc/16/40/10/883164010.db2.gz AVZXUQFJWSTTKM-UHFFFAOYSA-N 0 1 394.273 3.730 20 5 GHBDMN Cc1ccc(CN[C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)cc1[N+](=O)[O-] ZINC000609616203 883459881 /nfs/dbraw/zinc/45/98/81/883459881.db2.gz KHTDOVBKEPAKTE-MRXNPFEDSA-N 0 1 393.365 3.817 20 5 GHBDMN Cc1c(Cl)cc(S(=O)(=O)Nc2ccc(-c3cc[nH]n3)cc2)cc1[N+](=O)[O-] ZINC000064621313 883774021 /nfs/dbraw/zinc/77/40/21/883774021.db2.gz PKTXHHMZRXJRJA-UHFFFAOYSA-N 0 1 392.824 3.748 20 5 GHBDMN CC(C)(C)OC(=O)N1CC[C@]2(C1)CCCN(Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000805792364 884075712 /nfs/dbraw/zinc/07/57/12/884075712.db2.gz BFJUHSFYWVKMAR-HXUWFJFHSA-N 0 1 375.469 3.818 20 5 GHBDMN CCc1c(NC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)[nH]nc1-c1ccncc1 ZINC000191165046 884526223 /nfs/dbraw/zinc/52/62/23/884526223.db2.gz GPLSPIIVPWBQOB-UHFFFAOYSA-N 0 1 381.392 3.512 20 5 GHBDMN O=[N+]([O-])c1ccc(OC2CCN(C[C@@H](O)c3cccc(Cl)c3)CC2)cc1 ZINC000174802459 884905281 /nfs/dbraw/zinc/90/52/81/884905281.db2.gz TZAWVMVKBXGGGX-LJQANCHMSA-N 0 1 376.840 3.825 20 5 GHBDMN CN(C)Cc1cc(-c2noc(COc3ccc([N+](=O)[O-])c(F)c3)n2)ccc1F ZINC000762085400 885359953 /nfs/dbraw/zinc/35/99/53/885359953.db2.gz OUYQKGKCVJHZID-UHFFFAOYSA-N 0 1 390.346 3.564 20 5 GHBDMN CC(C)(C)N1CC[C@@](F)(C(=O)O[C@@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)C1 ZINC000861444728 885510865 /nfs/dbraw/zinc/51/08/65/885510865.db2.gz BVIUVJWHGRKYDM-BBRMVZONSA-N 0 1 392.349 3.954 20 5 GHBDMN Cc1ccccc1CN1CCCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000915170258 885934146 /nfs/dbraw/zinc/93/41/46/885934146.db2.gz RHCWCZDYHZMYID-UHFFFAOYSA-N 0 1 387.867 3.905 20 5 GHBDMN COc1cc(CNc2ccc(C(=O)N3CCC(C)CC3)cc2)cc([N+](=O)[O-])c1O ZINC000195141850 886466996 /nfs/dbraw/zinc/46/69/96/886466996.db2.gz OLUUGNBGHQUAHN-UHFFFAOYSA-N 0 1 399.447 3.793 20 5 GHBDMN CC(C)n1cc([C@@H](C)N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000542572196 886949156 /nfs/dbraw/zinc/94/91/56/886949156.db2.gz BIJPNMNFKGSKHY-VXGBXAGGSA-N 0 1 379.848 3.703 20 5 GHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N(CCc1ccccc1)Cc1ccncc1 ZINC000475906837 887370116 /nfs/dbraw/zinc/37/01/16/887370116.db2.gz RKYLUBRGVJHZSU-UHFFFAOYSA-N 0 1 377.400 3.581 20 5 GHBDMN O=C(c1cccc(Br)c1O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000532680995 887676615 /nfs/dbraw/zinc/67/66/15/887676615.db2.gz XPZCBHJNDPQHLO-UHFFFAOYSA-N 0 1 391.221 3.868 20 5 GHBDMN O=[N+]([O-])c1ccc(Cl)c(OC[C@H]2CN(Cc3ccccc3)CCCO2)c1 ZINC000809996899 888052565 /nfs/dbraw/zinc/05/25/65/888052565.db2.gz MQPYCGLAERUQGX-QGZVFWFLSA-N 0 1 376.840 3.918 20 5 GHBDMN Cc1ccc(CN[C@H](C)c2ccc(S(=O)(=O)C(F)F)cc2)cc1[N+](=O)[O-] ZINC000866539275 888923869 /nfs/dbraw/zinc/92/38/69/888923869.db2.gz AUMAJHIMCADAFJ-GFCCVEGCSA-N 0 1 384.404 3.750 20 5 GHBDMN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C(F)(F)F)nc1 ZINC000121144522 888964745 /nfs/dbraw/zinc/96/47/45/888964745.db2.gz ZHXYHVXAJYFNGC-UHFFFAOYSA-N 0 1 395.746 3.771 20 5 GHBDMN O=C(NCC1(c2cccc(Cl)c2)CCC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001132599583 889138009 /nfs/dbraw/zinc/13/80/09/889138009.db2.gz CKVIMEQOFWVIGF-UHFFFAOYSA-N 0 1 384.823 3.976 20 5 GHBDMN O=C(c1cccc(Br)c1O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000533006658 889508800 /nfs/dbraw/zinc/50/88/00/889508800.db2.gz DYDUNFPKKHYLRI-UHFFFAOYSA-N 0 1 391.221 3.868 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2cnn(CN3CC[C@]4(C3)CCc3ccccc3O4)c2)cc1 ZINC000811782851 889957436 /nfs/dbraw/zinc/95/74/36/889957436.db2.gz SRVYSMHSDHMBGY-QFIPXVFZSA-N 0 1 390.443 3.886 20 5 GHBDMN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC([C@H](O)c3ccc(Cl)cc3)CC2)c1 ZINC000154199417 890272594 /nfs/dbraw/zinc/27/25/94/890272594.db2.gz VNWGUIYQLCSNHT-VQTJNVASSA-N 0 1 390.867 3.727 20 5 GHBDMN O=C([O-])/C=C\c1ccc(N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000917062729 890898661 /nfs/dbraw/zinc/89/86/61/890898661.db2.gz WHSMNWRMVORNSG-FYGXRCCRSA-N 0 1 381.432 3.769 20 5 GHBDMN Cc1c(NC(=O)[C@@H](C)N[C@@H](C)c2ccc(C(F)(F)F)nc2)cccc1[N+](=O)[O-] ZINC000871935087 891092651 /nfs/dbraw/zinc/09/26/51/891092651.db2.gz QTEZATCDZUUUHV-NWDGAFQWSA-N 0 1 396.369 3.995 20 5 GHBDMN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1ccc(CS(C)(=O)=O)cc1 ZINC000872024469 891122928 /nfs/dbraw/zinc/12/29/28/891122928.db2.gz AXFCMFDVELSKJY-CYBMUJFWSA-N 0 1 394.518 3.712 20 5 GHBDMN COc1ccc(CCCN(C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000497455845 891626730 /nfs/dbraw/zinc/62/67/30/891626730.db2.gz IQXROIJKTQMJGC-UHFFFAOYSA-N 0 1 391.855 3.760 20 5 GHBDMN CC(C)c1n[nH]c(COC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)n1 ZINC000813900397 892080758 /nfs/dbraw/zinc/08/07/58/892080758.db2.gz VXIZYTYMYRUBKB-UHFFFAOYSA-N 0 1 381.392 3.937 20 5 GHBDMN CC(C)c1nc(COC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)n[nH]1 ZINC000813900397 892080777 /nfs/dbraw/zinc/08/07/77/892080777.db2.gz VXIZYTYMYRUBKB-UHFFFAOYSA-N 0 1 381.392 3.937 20 5 GHBDMN C[C@@H](N[C@H](C)c1ccc2c(c1)OCO2)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000192465277 892502232 /nfs/dbraw/zinc/50/22/32/892502232.db2.gz WVQLQGICZZPHFH-GHMZBOCLSA-N 0 1 391.811 3.655 20 5 GHBDMN O=[N+]([O-])c1cnn(C2CC(N[C@@H](c3cccc(Cl)c3)c3ccccn3)C2)c1 ZINC000877085783 893475996 /nfs/dbraw/zinc/47/59/96/893475996.db2.gz REDOWLROAVZDKV-RJYAGPCLSA-N 0 1 383.839 3.922 20 5 GHBDMN CCN(CC)CC(=O)Nc1cccc(N[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000815626708 894059218 /nfs/dbraw/zinc/05/92/18/894059218.db2.gz KIIGDQPHWXPYKU-AWEZNQCLSA-N 0 1 385.468 3.630 20 5 GHBDMN CCOc1ccc([C@H](C)NCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1OC ZINC000537065839 894284902 /nfs/dbraw/zinc/28/49/02/894284902.db2.gz DJJIAYHCUPXISS-AWEZNQCLSA-N 0 1 387.436 3.600 20 5 GHBDMN O=[N+]([O-])c1cccc(Br)c1NCC1(N2CCCCC2)CCOCC1 ZINC001185478764 913897676 /nfs/dbraw/zinc/89/76/76/913897676.db2.gz MMGPEYOPTUTOTQ-UHFFFAOYSA-N 0 1 398.301 3.804 20 5 GHBDMN CCCSc1ccc([N+](=O)[O-])cc1C(=O)OCc1nnc(C(C)(C)C)[nH]1 ZINC000816406114 894783270 /nfs/dbraw/zinc/78/32/70/894783270.db2.gz FYRPGWSGQHDANK-UHFFFAOYSA-N 0 1 378.454 3.870 20 5 GHBDMN CCCSc1ccc([N+](=O)[O-])cc1C(=O)OCc1n[nH]c(C(C)(C)C)n1 ZINC000816406114 894783279 /nfs/dbraw/zinc/78/32/79/894783279.db2.gz FYRPGWSGQHDANK-UHFFFAOYSA-N 0 1 378.454 3.870 20 5 GHBDMN O=[N+]([O-])c1ccc([C@H](NC2CCN(Cc3ccncc3)CC2)C(F)(F)F)cc1 ZINC000565088943 895385004 /nfs/dbraw/zinc/38/50/04/895385004.db2.gz LWJCLOJGJHDAKT-SFHVURJKSA-N 0 1 394.397 3.847 20 5 GHBDMN Cc1ccc(CN2CCC3(CCN3C(=O)OC(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000817417232 895592339 /nfs/dbraw/zinc/59/23/39/895592339.db2.gz IBAZIGZGZHOSAH-UHFFFAOYSA-N 0 1 375.469 3.879 20 5 GHBDMN C[C@@H]1C[C@@H]1c1ccc(CNS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)o1 ZINC001185616392 913993059 /nfs/dbraw/zinc/99/30/59/913993059.db2.gz ZHKWPIKPTKVDMD-KCJUWKMLSA-N 0 1 388.804 3.582 20 5 GHBDMN CCc1ccc([C@H](CNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)N(C)C)cc1 ZINC001135926612 895703399 /nfs/dbraw/zinc/70/33/99/895703399.db2.gz NSTZZVOUQZZIGY-FQEVSTJZSA-N 0 1 397.475 3.539 20 5 GHBDMN COc1cc(CN2CCC3(CCCCO3)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000880454116 895717304 /nfs/dbraw/zinc/71/73/04/895717304.db2.gz BNDYFKAGGWUKNC-UHFFFAOYSA-N 0 1 386.395 3.740 20 5 GHBDMN Cc1nc2ccccc2n1C[C@@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000774911230 914012300 /nfs/dbraw/zinc/01/23/00/914012300.db2.gz XBKQVFVHQBYFDI-KRWDZBQOSA-N 0 1 395.419 3.826 20 5 GHBDMN Cc1cc(S(=O)(=O)Nc2cccc3ccc(O)cc32)cc([N+](=O)[O-])c1F ZINC000778567887 896828202 /nfs/dbraw/zinc/82/82/02/896828202.db2.gz SNXGRKSBPCPGTA-UHFFFAOYSA-N 0 1 376.365 3.702 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C ZINC000130382262 897069964 /nfs/dbraw/zinc/06/99/64/897069964.db2.gz UINJDUCKNQGZJL-UHFFFAOYSA-N 0 1 385.785 3.574 20 5 GHBDMN CC[N@@H+](CCC1CCN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])CC1)CC(C)C ZINC000568024005 897542223 /nfs/dbraw/zinc/54/22/23/897542223.db2.gz BMMJZGGTXYMKHY-UHFFFAOYSA-N 0 1 377.485 3.521 20 5 GHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(F)c(N3CCCCC3)c(F)c2)cc1 ZINC000778670425 898175101 /nfs/dbraw/zinc/17/51/01/898175101.db2.gz NTWPEOJBFLUORV-UHFFFAOYSA-N 0 1 397.403 3.664 20 5 GHBDMN COC(=O)c1ccc(CNC/C(C)=C\c2cccc([N+](=O)[O-])c2)nc1C1CC1 ZINC000568933833 898222040 /nfs/dbraw/zinc/22/20/40/898222040.db2.gz WJBJTOBTGVOGQX-UVTDQMKNSA-N 0 1 381.432 3.847 20 5 GHBDMN O=C(NCCOc1ccc([N+](=O)[O-])cc1)c1cc(Cl)c2ccccc2c1O ZINC001136668749 898839676 /nfs/dbraw/zinc/83/96/76/898839676.db2.gz AFXMWYRIGZQBCK-UHFFFAOYSA-N 0 1 386.791 3.916 20 5 GHBDMN Cc1[nH]nc(C(=O)N2C[C@H](C)C[C@H]2c2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-] ZINC000331537506 898965136 /nfs/dbraw/zinc/96/51/36/898965136.db2.gz HMKZAGSHZGXAQH-RNCFNFMXSA-N 0 1 382.342 3.868 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N2C[C@H](c3ccccc3Cl)OC[C@@H]2C)c1[N+](=O)[O-] ZINC000331543400 898969467 /nfs/dbraw/zinc/96/94/67/898969467.db2.gz HIVDNZFKFZMZDC-SMDDNHRTSA-N 0 1 392.843 3.697 20 5 GHBDMN O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[C@H](C(F)(F)F)[C@H](CO)C2)o1 ZINC000289722338 914313646 /nfs/dbraw/zinc/31/36/46/914313646.db2.gz PJYZCXOGMANYMM-WFASDCNBSA-N 0 1 384.354 3.848 20 5 GHBDMN CN(C)C(=O)C[C@@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])c2ccc(Cl)cc21 ZINC000570829872 899623334 /nfs/dbraw/zinc/62/33/34/899623334.db2.gz RIYDVLGUEUCPBA-GFCCVEGCSA-N 0 1 389.839 3.536 20 5 GHBDMN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC(c3ncc(C(F)(F)F)[nH]3)CC2)c1 ZINC000332427743 899662024 /nfs/dbraw/zinc/66/20/24/899662024.db2.gz CPMLZGFBVVQJHI-UHFFFAOYSA-N 0 1 382.342 3.665 20 5 GHBDMN O=[N+]([O-])c1cccc(Br)c1CN1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000824696251 899771563 /nfs/dbraw/zinc/77/15/63/899771563.db2.gz JFWNLSMQVYZNLF-VMGRFDJRSA-N 0 1 383.286 3.873 20 5 GHBDMN C[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccc(OC(F)F)cc1 ZINC000045341491 900197827 /nfs/dbraw/zinc/19/78/27/900197827.db2.gz IVSNEWPLJKQTKW-SECBINFHSA-N 0 1 376.319 3.564 20 5 GHBDMN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC000843904954 900318516 /nfs/dbraw/zinc/31/85/16/900318516.db2.gz TUIMGEOQQVQALK-HNNXBMFYSA-N 0 1 385.439 3.636 20 5 GHBDMN O=C([O-])/C=C\c1ccc(NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000844209861 900604053 /nfs/dbraw/zinc/60/40/53/900604053.db2.gz YCOWJKJBZKYUDF-CNRGFGOASA-N 0 1 381.432 3.627 20 5 GHBDMN Cn1cc([N+](=O)[O-])cc1C(=O)N1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000575139507 901130845 /nfs/dbraw/zinc/13/08/45/901130845.db2.gz HHMDHECPAIBSOA-HNNXBMFYSA-N 0 1 387.827 3.830 20 5 GHBDMN Cc1csc(C[C@H]2CCCN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)n1 ZINC000886699064 901233015 /nfs/dbraw/zinc/23/30/15/901233015.db2.gz SEVBHAHZDDAQND-CQSZACIVSA-N 0 1 389.477 3.681 20 5 GHBDMN Cn1cc([C@H]2CN(Cc3cccc([N+](=O)[O-])c3Br)CC2(C)C)cn1 ZINC000846933840 903315404 /nfs/dbraw/zinc/31/54/04/903315404.db2.gz XQEZHQHGKKRZRM-CQSZACIVSA-N 0 1 393.285 3.716 20 5 GHBDMN Cn1c(SCc2n[nH]c(C(C)(C)C)n2)nc2cc3ccccc3cc2c1=O ZINC000577939610 903368162 /nfs/dbraw/zinc/36/81/62/903368162.db2.gz XLQVVSAKYLDPHY-UHFFFAOYSA-N 0 1 379.489 3.795 20 5 GHBDMN O=[N+]([O-])c1cc(CN[C@H](c2nnc[nH]2)c2ccccc2)cc(C(F)(F)F)c1 ZINC000577981503 903410517 /nfs/dbraw/zinc/41/05/17/903410517.db2.gz UXCXWVWULCHLEO-HNNXBMFYSA-N 0 1 377.326 3.611 20 5 GHBDMN CN(Cc1cc(C(C)(C)C)[nH]n1)Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000773341260 905338060 /nfs/dbraw/zinc/33/80/60/905338060.db2.gz QEXKICPYZMRPIF-UHFFFAOYSA-N 0 1 375.454 3.982 20 5 GHBDMN O=[N+]([O-])c1ccc2c(c1)CC[C@@H](N1CCN(c3ncccc3Cl)CC1)CC2 ZINC001172920117 905990987 /nfs/dbraw/zinc/99/09/87/905990987.db2.gz IONRGIGEICWYIE-KRWDZBQOSA-N 0 1 386.883 3.713 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CC[C@](CF)(C(F)(F)F)C2)c1F ZINC001173182414 906262980 /nfs/dbraw/zinc/26/29/80/906262980.db2.gz RPNUEGQSROGZOT-ZUZCIYMTSA-N 0 1 382.329 3.897 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CC[C@@H](Oc3cccc(C)n3)C2)c1F ZINC001173191490 906273725 /nfs/dbraw/zinc/27/37/25/906273725.db2.gz CNLPCENZEADORT-HUUCEWRRSA-N 0 1 389.427 3.530 20 5 GHBDMN CCCOC(=O)c1ccc(S(=O)(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)cc1 ZINC000773378468 906456387 /nfs/dbraw/zinc/45/63/87/906456387.db2.gz HAHRXVBTFAMZNN-UHFFFAOYSA-N 0 1 392.433 3.579 20 5 GHBDMN O=C(CN[C@H]1CCCc2c(O)cccc21)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000192363373 907604505 /nfs/dbraw/zinc/60/45/05/907604505.db2.gz QGNJWMINJFYFAI-HNNXBMFYSA-N 0 1 375.812 3.560 20 5 GHBDMN Cc1nn(CN2CCC[C@@H]2Cc2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000779859881 909051091 /nfs/dbraw/zinc/05/10/91/909051091.db2.gz ZRJTWSCDHILRJY-OAHLLOKOSA-N 0 1 379.258 3.527 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2ccc(CNC[C@H]3CS(=O)(=O)c4ccccc43)o2)c1 ZINC001178783554 909225873 /nfs/dbraw/zinc/22/58/73/909225873.db2.gz SUNGSTKWRFDGIR-HNNXBMFYSA-N 0 1 398.440 3.516 20 5 GHBDMN CC(C)(C)OC(=O)N1CCC[C@@](C)(CN2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001180267077 910054923 /nfs/dbraw/zinc/05/49/23/910054923.db2.gz NLYBCWHQMDDZNO-NRFANRHFSA-N 0 1 389.496 3.990 20 5 GHBDMN C[C@@H](NCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1OCCc2sccc21 ZINC000795482853 910621074 /nfs/dbraw/zinc/62/10/74/910621074.db2.gz SNIOBATZCWZSJI-QGHHPUGFSA-N 0 1 395.868 3.540 20 5 GHBDMN CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](c2cccs2)N2CCCC2)c1 ZINC000283385563 911490662 /nfs/dbraw/zinc/49/06/62/911490662.db2.gz GCDJLTNHBQOETP-KRWDZBQOSA-N 0 1 389.477 3.622 20 5 GHBDMN O=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000363129363 917811676 /nfs/dbraw/zinc/81/16/76/917811676.db2.gz GBMVQJYNYHNPEV-UHFFFAOYSA-N 0 1 391.830 3.782 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2nnc(CN3CCCC[C@@H]3[C@@H](O)c3ccccc3)o2)cc1 ZINC000369827942 923651885 /nfs/dbraw/zinc/65/18/85/923651885.db2.gz BHQJRMCAGHDUCD-QUCCMNQESA-N 0 1 394.431 3.733 20 5 GHBDMN O=C(OCCc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnc(C3CC3)[nH]2)cc1 ZINC000748897177 923903848 /nfs/dbraw/zinc/90/38/48/923903848.db2.gz JCRGJCSZEPMGFQ-UHFFFAOYSA-N 0 1 378.388 3.657 20 5 GHBDMN Cc1c(COC(=O)c2ccc(-c3nnc(C4CC4)[nH]3)cc2)cccc1[N+](=O)[O-] ZINC000748898226 923905169 /nfs/dbraw/zinc/90/51/69/923905169.db2.gz POGOZJWLXGSLSB-UHFFFAOYSA-N 0 1 378.388 3.923 20 5 GHBDMN CCOc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OCC)c(C)c1 ZINC000410410105 925622693 /nfs/dbraw/zinc/62/26/93/925622693.db2.gz WPSNFIWEOHYNMF-UHFFFAOYSA-N 0 1 380.422 3.501 20 5 GHBDMN COc1cc(CN2CCOCC3(CC3)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000544034311 928715071 /nfs/dbraw/zinc/71/50/71/928715071.db2.gz VDMZVYSDBLLUCJ-UHFFFAOYSA-N 0 1 398.459 3.795 20 5 GHBDMN CCOc1ccc([C@@H](C)NCc2cccc(S(=O)(=O)CC)c2)cc1[N+](=O)[O-] ZINC000467418596 929050895 /nfs/dbraw/zinc/05/08/95/929050895.db2.gz NVJBHWJIRRSETB-CQSZACIVSA-N 0 1 392.477 3.638 20 5 GHBDMN CCOCc1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)c1 ZINC000753079276 929194376 /nfs/dbraw/zinc/19/43/76/929194376.db2.gz BLHIPDCOLGVOTQ-UHFFFAOYSA-N 0 1 384.841 3.894 20 5 GHBDMN CCc1[nH]nc(C(=O)N2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)c1[N+](=O)[O-] ZINC000753512239 929384135 /nfs/dbraw/zinc/38/41/35/929384135.db2.gz LOISYKGPTJWWTR-LLVKDONJSA-N 0 1 382.342 3.529 20 5 GHBDMN O=[N+]([O-])c1ccc(N2CCC(N[C@@H]3COc4cc(F)cc(F)c43)CC2)cc1 ZINC000753596908 929438035 /nfs/dbraw/zinc/43/80/35/929438035.db2.gz VJWIGSKBKISKPO-QGZVFWFLSA-N 0 1 375.375 3.565 20 5 GHBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC(NC(=O)c2ccoc2C)CC1 ZINC000470175886 930433744 /nfs/dbraw/zinc/43/37/44/930433744.db2.gz SXLPVEHAXPJQQG-QINSGFPZSA-N 0 1 383.448 3.794 20 5 GHBDMN Nc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc2nc(-c3cccc(F)c3)[nH]c2c1 ZINC000546839098 930475455 /nfs/dbraw/zinc/47/54/55/930475455.db2.gz VAMNQLZWWSSYAW-UHFFFAOYSA-N 0 1 392.350 3.507 20 5 GHBDMN CN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000470658760 930794806 /nfs/dbraw/zinc/79/48/06/930794806.db2.gz KSXVLFMJIOENSN-QGZVFWFLSA-N 0 1 387.867 3.985 20 5 GHBDMN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000470981847 931074971 /nfs/dbraw/zinc/07/49/71/931074971.db2.gz FASMGHJQGSMQNB-KRWDZBQOSA-N 0 1 397.475 3.730 20 5 GHBDMN COc1cc(C)cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)c1C ZINC000782486575 931239421 /nfs/dbraw/zinc/23/94/21/931239421.db2.gz XGNNAYUWMMDRPH-UHFFFAOYSA-N 0 1 384.841 3.983 20 5 GHBDMN COc1ccc2c(c1)CCC[C@@H]2N(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000558061759 931821738 /nfs/dbraw/zinc/82/17/38/931821738.db2.gz HXTDGQXFBWSKQS-IBGZPJMESA-N 0 1 399.447 3.560 20 5 GHBDMN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(Cc3c(F)cccc3[N+](=O)[O-])C[C@@H]21 ZINC000784509274 931918103 /nfs/dbraw/zinc/91/81/03/931918103.db2.gz MDQWOAPIZZAZRI-JKIFEVAISA-N 0 1 393.459 3.859 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)ccc1OC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000558462875 932015657 /nfs/dbraw/zinc/01/56/57/932015657.db2.gz PXULMEXJZDXURS-KRWDZBQOSA-N 0 1 376.840 3.918 20 5 GHBDMN C[C@@H](c1ccccc1)[C@@H](CO)NCc1ccc([N+](=O)[O-])cc1Br ZINC001116650903 933683492 /nfs/dbraw/zinc/68/34/92/933683492.db2.gz GVVAVNCFCUTFPC-YVEFUNNKSA-N 0 1 379.254 3.612 20 5 GHBDMN Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)Nc2cccc(Cl)c2O)c1 ZINC001137932627 935877234 /nfs/dbraw/zinc/87/72/34/935877234.db2.gz DYIBUHDQDNGZSX-UHFFFAOYSA-N 0 1 386.795 3.759 20 5 GHBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]2C[C@H](C(=O)[O-])C[C@H](C)C2)cc1OC ZINC001589459097 954857335 /nfs/dbraw/zinc/85/73/35/954857335.db2.gz VZRZLXDXUZXTMJ-OFQRWUPVSA-N 0 1 394.468 3.571 20 5 GHBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2C[C@@H](C(=O)[O-])CC[C@H]2C)cc1OC ZINC001589459048 954857947 /nfs/dbraw/zinc/85/79/47/954857947.db2.gz SXQSMKSWKJHYRI-ZNMIVQPWSA-N 0 1 394.468 3.713 20 5 GHBDMN Cc1cccc([C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Br)C(=O)[O-])c1 ZINC001594398016 958792520 /nfs/dbraw/zinc/79/25/20/958792520.db2.gz PBDMSEFEVRXABU-HNNXBMFYSA-N 0 1 379.210 3.581 20 5 GHBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2C3CCC2(C(=O)[O-])CC3)cc1OC ZINC001594964099 982716615 /nfs/dbraw/zinc/71/66/15/982716615.db2.gz CWLNPFMBXDSBSH-LMVFOVOHSA-N 0 1 392.452 3.610 20 5 GHBDMN C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@H](C(=O)[O-])c1cccc(Br)c1 ZINC001598519519 992662130 /nfs/dbraw/zinc/66/21/30/992662130.db2.gz WGRTZNNFKSKSGA-HNNXBMFYSA-N 0 1 397.200 3.754 20 5 GHBDMN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1nc2ccccc2n1C1CC1 ZINC000545560825 1016035652 /nfs/dbraw/zinc/03/56/52/1016035652.db2.gz QICXOBWHNHTGBX-AWEZNQCLSA-N 0 1 393.447 3.786 20 5 GHBDMN C[C@]1(CNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CC[N@@H+](Cc2ccccc2)C1 ZINC001594033533 997620296 /nfs/dbraw/zinc/62/02/96/997620296.db2.gz YLKWECWAXTYNRK-OAQYLSRUSA-N 0 1 383.448 3.546 20 5 GHBDMN COc1ccc(F)c(-c2noc(-c3cc(-c4cccc([N+](=O)[O-])c4)n[nH]3)n2)c1 ZINC001212995235 1032278661 /nfs/dbraw/zinc/27/86/61/1032278661.db2.gz PVTXZKKGLQSJEM-UHFFFAOYSA-N 0 1 381.323 3.850 20 5 GHBDMN Cn1ncc2cc(-c3noc(-c4cc(-c5cccc([N+](=O)[O-])c5)n[nH]4)n3)ccc21 ZINC001212995280 1032308599 /nfs/dbraw/zinc/30/85/99/1032308599.db2.gz RQEDIQYLFZMFAG-UHFFFAOYSA-N 0 1 387.359 3.589 20 5 GHBDMN CCOC(=O)c1ccc(OC(C(=O)c2ccco2)c2ccco2)c([N+](=O)[O-])c1 ZINC001227297077 1032360378 /nfs/dbraw/zinc/36/03/78/1032360378.db2.gz KFTAJDQDYJKIDT-GOSISDBHSA-N 0 1 385.328 3.961 20 5 GHBDMN CCOC(=O)c1ccc(O[C@@H](C(=O)c2ccco2)c2ccco2)c([N+](=O)[O-])c1 ZINC001227297077 1032360382 /nfs/dbraw/zinc/36/03/82/1032360382.db2.gz KFTAJDQDYJKIDT-GOSISDBHSA-N 0 1 385.328 3.961 20 5 GHBDMN COC(=O)c1sc([N+](=O)[O-])cc1O[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1C ZINC001227541783 1032457785 /nfs/dbraw/zinc/45/77/85/1032457785.db2.gz ONNGHIGHGTUXAU-BBRMVZONSA-N 0 1 390.461 3.732 20 5 GHBDMN COC(=O)c1sc([N+](=O)[O-])cc1O[C@H]1CN(Cc2ccccc2)CC[C@@H]1C ZINC001227541783 1032457791 /nfs/dbraw/zinc/45/77/91/1032457791.db2.gz ONNGHIGHGTUXAU-BBRMVZONSA-N 0 1 390.461 3.732 20 5 GHBDMN COC(=O)c1cccc(O[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C)c1[N+](=O)[O-] ZINC001227894193 1032674284 /nfs/dbraw/zinc/67/42/84/1032674284.db2.gz KTCZEWASCLZOKG-DNVCBOLYSA-N 0 1 384.432 3.671 20 5 GHBDMN C[C@@H](CNc1ncnc2sc([N+](=O)[O-])cc21)N1CCc2sccc2C1 ZINC000561142225 1017802513 /nfs/dbraw/zinc/80/25/13/1017802513.db2.gz SIAPEWYYURLVCI-JTQLQIEISA-N 0 1 375.479 3.520 20 5 GHBDMN CCCc1[nH]nc(C(=O)N2CC[C@@H](Sc3cccc(Cl)c3)C2)c1[N+](=O)[O-] ZINC000561885248 1017967060 /nfs/dbraw/zinc/96/70/60/1017967060.db2.gz RQFWTFYEKYWTDZ-CYBMUJFWSA-N 0 1 394.884 3.931 20 5 GHBDMN COc1cc(CN2CCSCC[C@H]2C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000191813602 1020815356 /nfs/dbraw/zinc/81/53/56/1020815356.db2.gz ZZZNPAVCRQNSLN-LLVKDONJSA-N 0 1 394.415 3.872 20 5 GHBDMN CC(C)(CCC(=O)OC[C@H]1CCCN(Cc2cc(F)ccc2F)C1)[N+](=O)[O-] ZINC000835153506 1021929544 /nfs/dbraw/zinc/92/95/44/1021929544.db2.gz QODZZPRHRVVDSU-AWEZNQCLSA-N 0 1 384.423 3.556 20 5 GHBDMN O=[N+]([O-])c1ccc(C(F)(F)n2cncc2CNCc2ccccc2)nc1Cl ZINC001156482014 1033057381 /nfs/dbraw/zinc/05/73/81/1033057381.db2.gz CINRCNNPURYVDI-UHFFFAOYSA-N 0 1 393.781 3.727 20 5 GHBDMN COc1ccc2c(c1)C[C@@H](C(C)C)CN2C([O-])=[NH+]c1c(C)cncc1[N+](=O)[O-] ZINC001203066919 1022571292 /nfs/dbraw/zinc/57/12/92/1022571292.db2.gz DSZLTEFQSSKTFJ-OAHLLOKOSA-N 0 1 384.436 3.596 20 5 GHBDMN CCOc1cc(CN2C[C@@H](CNC(=O)OC(C)(C)C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000755067668 1023057220 /nfs/dbraw/zinc/05/72/20/1023057220.db2.gz QLGSGGQMBLAGAE-GDBMZVCRSA-N 0 1 393.484 3.729 20 5 GHBDMN COc1ccc(OC)c([C@H](C)Oc2nc(C(F)(F)F)cc(O)c2[N+](=O)[O-])c1 ZINC001228861005 1033144672 /nfs/dbraw/zinc/14/46/72/1033144672.db2.gz ZMIOFGHIJBWOJK-QMMMGPOBSA-N 0 1 388.298 3.871 20 5 GHBDMN CN(C(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1CCN(CCC(F)(F)F)CC1 ZINC000837184816 1024203493 /nfs/dbraw/zinc/20/34/93/1024203493.db2.gz MSDKDXGYIZMNFF-UHFFFAOYSA-N 0 1 393.793 3.737 20 5 GHBDMN COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1O[C@@H]1CCN(Cc2ccccc2)C1 ZINC001228964398 1033203209 /nfs/dbraw/zinc/20/32/09/1033203209.db2.gz WCTDDAKJLVXWES-OAHLLOKOSA-N 0 1 390.823 3.688 20 5 GHBDMN COc1cc(C(=O)Nc2ccc3oc(CN4CCCC4)nc3c2)ccc1[N+](=O)[O-] ZINC001141466819 1025140418 /nfs/dbraw/zinc/14/04/18/1025140418.db2.gz DWQOSNLKVANAJR-UHFFFAOYSA-N 0 1 396.403 3.593 20 5 GHBDMN CC[C@H](C)c1nc([C@H](C)NC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)n[nH]1 ZINC001156832013 1033264481 /nfs/dbraw/zinc/26/44/81/1033264481.db2.gz KOQVRNRWVWGWCC-QWRGUYRKSA-N 0 1 379.848 3.690 20 5 GHBDMN O=[N+]([O-])c1ccc([O-])cc1C[NH+]1CCC([C@H](O)c2cc(F)ccc2F)CC1 ZINC000839158110 1025660463 /nfs/dbraw/zinc/66/04/63/1025660463.db2.gz VADIMTPWXSXPSJ-IBGZPJMESA-N 0 1 378.375 3.524 20 5 GHBDMN CCOC(=O)c1c(CN)ncn1-c1cnc2c3ccccc3c3ccccc3c2n1 ZINC001162532863 1025781780 /nfs/dbraw/zinc/78/17/80/1025781780.db2.gz XIJZFJTYXDBWIT-UHFFFAOYSA-N 0 1 397.438 3.757 20 5 GHBDMN Cc1[nH]ncc1CN(C)C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC001162890561 1025955074 /nfs/dbraw/zinc/95/50/74/1025955074.db2.gz SYEWWWGNLWPTCQ-UHFFFAOYSA-N 0 1 379.420 3.511 20 5 GHBDMN O=[N+]([O-])c1cccc(CN2CCc3ccc(O)cc3CC2)c1Br ZINC000839513005 1025997022 /nfs/dbraw/zinc/99/70/22/1025997022.db2.gz UJRPHQRCXLTLHL-UHFFFAOYSA-N 0 1 377.238 3.664 20 5 GHBDMN COc1cc(CN(C)C[C@H](O)c2cccc(Br)c2)ccc1[N+](=O)[O-] ZINC000839640400 1026147788 /nfs/dbraw/zinc/14/77/88/1026147788.db2.gz KWLPMCIKABRSIK-INIZCTEOSA-N 0 1 395.253 3.531 20 5 GHBDMN CSc1cccc([C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])c2cc(F)ccc2F)c1 ZINC000839690884 1026205806 /nfs/dbraw/zinc/20/58/06/1026205806.db2.gz JDKHRJYHBZLGNN-OIISXLGYSA-N 0 1 378.400 3.558 20 5 GHBDMN CNC(=O)c1cc(Oc2ccc(Nc3ccc(O)c([N+](=O)[O-])c3)cc2)ccn1 ZINC001210400132 1027489911 /nfs/dbraw/zinc/48/99/11/1027489911.db2.gz BVVMGDGODSJEFP-UHFFFAOYSA-N 0 1 380.360 3.591 20 5 GHBDMN COC(=O)c1cc(Br)c(C)c(Nc2ccc(O)c([N+](=O)[O-])c2)c1 ZINC001210398701 1027490057 /nfs/dbraw/zinc/49/00/57/1027490057.db2.gz JPXCUTQKIHPPLM-UHFFFAOYSA-N 0 1 381.182 3.902 20 5 GHBDMN Cc1cc(S(=O)(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)c(C)cc1[N+](=O)[O-] ZINC000840945168 1027977467 /nfs/dbraw/zinc/97/74/67/1027977467.db2.gz BYCONOPFNGVQSK-UHFFFAOYSA-N 0 1 379.394 3.537 20 5 GHBDMN COc1ccc(-c2noc(-c3cc(O)cc([N+](=O)[O-])c3)n2)c(Cl)c1OC ZINC001216924345 1030004541 /nfs/dbraw/zinc/00/45/41/1030004541.db2.gz FWJYGUMQHSSYDN-UHFFFAOYSA-N 0 1 377.740 3.688 20 5 GHBDMN Cc1ccc(F)cc1-c1noc(-c2cc([N+](=O)[O-])cc(N3CCN(C)CC3)c2)n1 ZINC001217018473 1030094820 /nfs/dbraw/zinc/09/48/20/1030094820.db2.gz SLFMYXMPOOUNDT-UHFFFAOYSA-N 0 1 397.410 3.511 20 5 GHBDMN Cc1cc(F)cc(-c2noc(-c3cc([N+](=O)[O-])cc(N4CCN(C)CC4)c3)n2)c1 ZINC001217019881 1030096830 /nfs/dbraw/zinc/09/68/30/1030096830.db2.gz DQZWTHXDIPEHJQ-UHFFFAOYSA-N 0 1 397.410 3.511 20 5 GHBDMN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC001217146225 1030195538 /nfs/dbraw/zinc/19/55/38/1030195538.db2.gz CHKHOHIXGYIERY-OAHLLOKOSA-N 0 1 386.452 3.636 20 5 GHBDMN COC(=O)C1=C[C@H](O[C@@H](C)c2cccc([N+](=O)[O-])c2)CN(Cc2ccccc2)C1 ZINC001223427342 1030569496 /nfs/dbraw/zinc/56/94/96/1030569496.db2.gz LKPJSHFCGWVWEK-KKSFZXQISA-N 0 1 396.443 3.656 20 5 GHBDMN O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CCN[C@@H](Cc2ccccc2)C1 ZINC001150935382 1030713485 /nfs/dbraw/zinc/71/34/85/1030713485.db2.gz KQUVGXZJFRNQRU-AWEZNQCLSA-N 0 1 394.258 3.558 20 5 GHBDMN C[C@@H](C(=O)N1CCc2nc[nH]c2[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC001151237195 1030817224 /nfs/dbraw/zinc/81/72/24/1030817224.db2.gz QTHJMLLXMUYPML-XCLFUZPHSA-N 0 1 394.406 3.735 20 5 GHBDMN Cc1ccc(-c2n[nH]cc2CNCc2ccc(Br)cc2[N+](=O)[O-])o1 ZINC001461719626 1069700849 /nfs/dbraw/zinc/70/08/49/1069700849.db2.gz JUIKADQIICNTOV-UHFFFAOYSA-N 0 1 391.225 3.939 20 5 GHBDMN CC(=O)Nc1cc(NC(=O)[C@@H](N)Cc2c3ccccc3cc3ccccc32)ccn1 ZINC001218649997 1031020163 /nfs/dbraw/zinc/02/01/63/1031020163.db2.gz PZPHDGUYJQNMOQ-QFIPXVFZSA-N 0 1 398.466 3.855 20 5 GHBDMN O=[N+]([O-])c1cc(Br)cnc1O[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001225746396 1031577093 /nfs/dbraw/zinc/57/70/93/1031577093.db2.gz HOBVTGLTDROTFU-OAHLLOKOSA-N 0 1 392.253 3.796 20 5 GHBDMN O=[N+]([O-])c1cc(Br)cnc1O[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001225746396 1031577114 /nfs/dbraw/zinc/57/71/14/1031577114.db2.gz HOBVTGLTDROTFU-OAHLLOKOSA-N 0 1 392.253 3.796 20 5 GHBDMN O=C(Nc1nc(C2CCC2)n[nH]1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC001153735439 1031724115 /nfs/dbraw/zinc/72/41/15/1031724115.db2.gz UZGGFVAPWHQIRD-UHFFFAOYSA-N 0 1 378.392 3.976 20 5 GHBDMN O=C(Nc1n[nH]c(C2CCC2)n1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC001153735439 1031724131 /nfs/dbraw/zinc/72/41/31/1031724131.db2.gz UZGGFVAPWHQIRD-UHFFFAOYSA-N 0 1 378.392 3.976 20 5 GHBDMN Nc1ccc2n(C(=O)c3c(O)cc4ccccc4c3O)c3ccccc3cc-2c1=O ZINC001154027891 1031884472 /nfs/dbraw/zinc/88/44/72/1031884472.db2.gz GNXSATFJWIRNQI-UHFFFAOYSA-N 0 1 396.402 3.941 20 5 GHBDMN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1COCC[C@@H]1c1ccccc1 ZINC001157251613 1033494928 /nfs/dbraw/zinc/49/49/28/1033494928.db2.gz IWNYITOGDYEQHB-LJQANCHMSA-N 0 1 378.388 3.546 20 5 GHBDMN COC(=O)c1cc(O[C@H]2CCCN(Cc3ccccc3)C2)c(F)cc1[N+](=O)[O-] ZINC001229941571 1033805176 /nfs/dbraw/zinc/80/51/76/1033805176.db2.gz KERLVCIVFQDCBF-HNNXBMFYSA-N 0 1 388.395 3.564 20 5 GHBDMN Cc1cnc(CN)n1-c1nc2ccccc2cc1COc1ccccc1[N+](=O)[O-] ZINC001158169156 1033950675 /nfs/dbraw/zinc/95/06/75/1033950675.db2.gz HMBCQLQKLQVRNR-UHFFFAOYSA-N 0 1 389.415 3.675 20 5 GHBDMN Nc1cccc(CN2CCN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)CC2)c1 ZINC001158484927 1034103834 /nfs/dbraw/zinc/10/38/34/1034103834.db2.gz CRQAJZFESLIYEX-UHFFFAOYSA-N 0 1 389.459 3.561 20 5 GHBDMN O=[N+]([O-])c1cc2cn[nH]c2cc1OC[C@@H]1Cc2cccc(Br)c2O1 ZINC001230601631 1034142941 /nfs/dbraw/zinc/14/29/41/1034142941.db2.gz PDBBSBBFNPVXCF-NSHDSACASA-N 0 1 390.193 3.616 20 5 GHBDMN C[C@H](c1nc2ccc(Cl)cc2[nH]1)N(C)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC001158884266 1034319147 /nfs/dbraw/zinc/31/91/47/1034319147.db2.gz SKDNGPAFAYQRBC-LLVKDONJSA-N 0 1 388.811 3.723 20 5 GHBDMN Cc1nc(O[C@H]2CCN(Cc3ccccc3)C2)c([N+](=O)[O-])cc1Br ZINC001231122251 1034412170 /nfs/dbraw/zinc/41/21/70/1034412170.db2.gz RVOREBVFIFONJE-AWEZNQCLSA-N 0 1 392.253 3.714 20 5 GHBDMN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC001254552052 1040319894 /nfs/dbraw/zinc/31/98/94/1040319894.db2.gz IMZTUKVPDYXLKV-MRXNPFEDSA-N 0 1 389.496 3.859 20 5 GHBDMN CO[C@@H](CN1CCN([C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1)c1ccccc1 ZINC001254567057 1040341677 /nfs/dbraw/zinc/34/16/77/1040341677.db2.gz VXUXFETTZUYCHQ-AVRDEDQJSA-N 0 1 383.492 3.531 20 5 GHBDMN CCOc1cc2c(cc1OCC)CN([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)CC2 ZINC001254606392 1040379122 /nfs/dbraw/zinc/37/91/22/1040379122.db2.gz DZBATQWYFLXFEJ-FQEVSTJZSA-N 0 1 382.460 3.918 20 5 GHBDMN O=[N+]([O-])c1cc(Br)cc(O)c1O[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001234880309 1040395296 /nfs/dbraw/zinc/39/52/96/1040395296.db2.gz ARUPTRGWEFNXRP-CQSZACIVSA-N 0 1 393.237 3.716 20 5 GHBDMN O=[N+]([O-])c1cc(Br)cc([O-])c1O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001234880309 1040395305 /nfs/dbraw/zinc/39/53/05/1040395305.db2.gz ARUPTRGWEFNXRP-CQSZACIVSA-N 0 1 393.237 3.716 20 5 GHBDMN O=[N+]([O-])c1cc(Br)cc([O-])c1O[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001234880309 1040395311 /nfs/dbraw/zinc/39/53/11/1040395311.db2.gz ARUPTRGWEFNXRP-CQSZACIVSA-N 0 1 393.237 3.716 20 5 GHBDMN COc1cc(N2CCC(N3CCC[C@@H]3c3cc(C)on3)CC2)ccc1[N+](=O)[O-] ZINC001256094595 1041523261 /nfs/dbraw/zinc/52/32/61/1041523261.db2.gz MTZSDTISXJIIQX-GOSISDBHSA-N 0 1 386.452 3.706 20 5 GHBDMN CCCN(C(=O)c1ccc([N+](=O)[O-])cc1[O-])[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001292563182 1043788558 /nfs/dbraw/zinc/78/85/58/1043788558.db2.gz PXFHPEMINKZVBZ-LJQANCHMSA-N 0 1 397.475 3.817 20 5 GHBDMN O=S(=O)(Nc1cccc2nc3ccccc3nc21)c1ccc2c(c1)CCO2 ZINC001259356788 1045096772 /nfs/dbraw/zinc/09/67/72/1045096772.db2.gz ZIBNZLBNANXADP-UHFFFAOYSA-N 0 1 377.425 3.519 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N(C)CCOc2ccccc2C(C)(C)C)c1[N+](=O)[O-] ZINC001297177733 1045469461 /nfs/dbraw/zinc/46/94/61/1045469461.db2.gz DYPLIUTZRRTELA-UHFFFAOYSA-N 0 1 388.468 3.890 20 5 GHBDMN O=C(Nc1ccc2oc(CN3CCCC3)nc2c1)c1cc(F)ccc1[N+](=O)[O-] ZINC001298544085 1045864022 /nfs/dbraw/zinc/86/40/22/1045864022.db2.gz BHFQGKTVIMCHPT-UHFFFAOYSA-N 0 1 384.367 3.723 20 5 GHBDMN 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CC(=O)Nc1sc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)nc1-c1ccccc1 ZINC000479361530 847607600 /nfs/dbraw/zinc/60/76/00/847607600.db2.gz RFPCQWFWJREBGH-UHFFFAOYSA-N 0 1 398.400 3.635 20 5 GHBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC(c2ccccn2)CC1 ZINC000366795934 847786123 /nfs/dbraw/zinc/78/61/23/847786123.db2.gz HWDFPKPVOUNSJV-AWEZNQCLSA-N 0 1 379.420 3.980 20 5 GHBDMN O=[N+]([O-])c1cc(CSc2nc(-c3ccc4c(c3)OCCO4)n[nH]2)cs1 ZINC000502411200 847852892 /nfs/dbraw/zinc/85/28/92/847852892.db2.gz VKGBVBVMHUSIJG-UHFFFAOYSA-N 0 1 376.419 3.505 20 5 GHBDMN O=[N+]([O-])c1cccc(F)c1CSc1nc(-c2ccc3c(c2)OCCO3)n[nH]1 ZINC000502455263 847911095 /nfs/dbraw/zinc/91/10/95/847911095.db2.gz JGVGUIWTSPDSCN-UHFFFAOYSA-N 0 1 388.380 3.583 20 5 GHBDMN O=C(CCNCc1ccc([N+](=O)[O-])cc1F)Nc1ccc(Br)cc1 ZINC000479930438 847963451 /nfs/dbraw/zinc/96/34/51/847963451.db2.gz WPOUCKZRDNIDFP-UHFFFAOYSA-N 0 1 396.216 3.615 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(Oc2ccccc2)nc1 ZINC000511181422 848040988 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3.893 20 5 GHBDMN CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](c2ccc(Cl)cc2)N(C)C)c1 ZINC000574102006 857246820 /nfs/dbraw/zinc/24/68/20/857246820.db2.gz ABXQOYSELNQZOC-GOSISDBHSA-N 0 1 391.855 3.680 20 5 GHBDMN CC[C@H](NCc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)c1ccccc1F ZINC000593666436 857650533 /nfs/dbraw/zinc/65/05/33/857650533.db2.gz SXJRLUGDJXJDFR-INIZCTEOSA-N 0 1 376.384 3.527 20 5 GHBDMN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000521209398 857735241 /nfs/dbraw/zinc/73/52/41/857735241.db2.gz YDBQPMUCJSOTQY-UHFFFAOYSA-N 0 1 396.794 3.627 20 5 GHBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000521772579 858299195 /nfs/dbraw/zinc/29/91/95/858299195.db2.gz JMBDYFCUANDOMR-HNNXBMFYSA-N 0 1 384.816 3.817 20 5 GHBDMN CCS(=O)(=O)C1(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000594992627 858359608 /nfs/dbraw/zinc/35/96/08/858359608.db2.gz HWDYCFIVSWIPCV-UHFFFAOYSA-N 0 1 398.868 3.565 20 5 GHBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC[C@@H]2c2nc3ccc(C)cc3[nH]2)c1 ZINC000593028591 858567310 /nfs/dbraw/zinc/56/73/10/858567310.db2.gz HXSDFIMNUVNHTJ-LJQANCHMSA-N 0 1 394.431 3.903 20 5 GHBDMN Cc1c(NC(=O)[C@H](C)N2CCC[C@H]([C@H]3CCCCO3)C2)cccc1[N+](=O)[O-] ZINC000595786963 858687829 /nfs/dbraw/zinc/68/78/29/858687829.db2.gz DIVUKACZQFPSFL-TXPKVOOTSA-N 0 1 375.469 3.511 20 5 GHBDMN O=c1[nH]ccc(NC[C@H]2CCCCN2Cc2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000596123669 858785388 /nfs/dbraw/zinc/78/53/88/858785388.db2.gz ZEVFCSHCNQOXID-OAHLLOKOSA-N 0 1 376.844 3.815 20 5 GHBDMN CN1CC[C@@H](CNc2cc[nH]c(=O)c2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000596177288 858814829 /nfs/dbraw/zinc/81/48/29/858814829.db2.gz DGDCOBFENVRFIM-NHYWBVRUSA-N 0 1 380.807 3.593 20 5 GHBDMN Cc1ccc(S(=O)(=O)CCCSCc2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000593198871 858940096 /nfs/dbraw/zinc/94/00/96/858940096.db2.gz MGNNZKSITVTFHE-UHFFFAOYSA-N 0 1 381.475 3.706 20 5 GHBDMN Cc1c(C)c(C)c(CS(=O)(=O)Cc2cc(O)ccc2[N+](=O)[O-])c(C)c1C ZINC000593203013 858949280 /nfs/dbraw/zinc/94/92/80/858949280.db2.gz DETMMYJYYLCUOF-UHFFFAOYSA-N 0 1 377.462 3.958 20 5 GHBDMN O=C(c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000568152777 859032436 /nfs/dbraw/zinc/03/24/36/859032436.db2.gz KAMZOHVGVJVDFW-IYBDPMFKSA-N 0 1 383.473 3.713 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000543635285 859140262 /nfs/dbraw/zinc/14/02/62/859140262.db2.gz OZRKPBYAYHWZBG-IEBWSBKVSA-N 0 1 391.830 3.757 20 5 GHBDMN CCCOc1ccc(C(C)(C)NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000483271493 859260824 /nfs/dbraw/zinc/26/08/24/859260824.db2.gz YHLXDDOCNKXTPI-UHFFFAOYSA-N 0 1 385.464 3.871 20 5 GHBDMN COCCN(Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])[C@@H]1CC[C@H](C)C1 ZINC000483409292 859344158 /nfs/dbraw/zinc/34/41/58/859344158.db2.gz ARCBBCKQJORWPW-GXTWGEPZSA-N 0 1 388.411 3.842 20 5 GHBDMN Cc1ccc([C@@H](CN2CCOCC2)N[C@@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000532201515 881412333 /nfs/dbraw/zinc/41/23/33/881412333.db2.gz AHSJROUJDDPCDL-PGRDOPGGSA-N 0 1 383.492 3.936 20 5 GHBDMN O=C(NCc1nc2ccc(Cl)cc2[nH]1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000611223253 859656308 /nfs/dbraw/zinc/65/63/08/859656308.db2.gz WVYCPMCYNKGAHC-UHFFFAOYSA-N 0 1 381.779 3.603 20 5 GHBDMN COc1cc(CN2CCCOC[C@H]2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000611272422 859676086 /nfs/dbraw/zinc/67/60/86/859676086.db2.gz JSTAVJPUGDFBAO-MRXNPFEDSA-N 0 1 386.448 3.793 20 5 GHBDMN Cc1c(Br)c(NC[C@@H](c2ccsc2)N(C)C)ncc1[N+](=O)[O-] ZINC000543448471 859752254 /nfs/dbraw/zinc/75/22/54/859752254.db2.gz HXWYTPZFFYLJMC-LBPRGKRZSA-N 0 1 385.287 3.837 20 5 GHBDMN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000611488327 859783192 /nfs/dbraw/zinc/78/31/92/859783192.db2.gz JEGRGXZYWWSXRK-QGZVFWFLSA-N 0 1 397.479 3.709 20 5 GHBDMN O=C([C@@H]1CC12CCN(C/C=C\c1ccccc1[N+](=O)[O-])CC2)N1CCCCC1 ZINC000611532325 859797868 /nfs/dbraw/zinc/79/78/68/859797868.db2.gz VFRNAMNCWQHUFH-QJSCKGPTSA-N 0 1 383.492 3.723 20 5 GHBDMN COc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1C(C)C ZINC000484267115 859916499 /nfs/dbraw/zinc/91/64/99/859916499.db2.gz VBWJBONLXXARHV-UHFFFAOYSA-N 0 1 380.422 3.536 20 5 GHBDMN O=C(Nc1[nH]nc2c1cccc2Cl)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000154347860 860075636 /nfs/dbraw/zinc/07/56/36/860075636.db2.gz ZNRSNCFAHIUGAV-UHFFFAOYSA-N 0 1 382.767 3.563 20 5 GHBDMN CC(C)(C)OC(=O)[C@H]1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)c2ccccc21 ZINC000598203749 860149545 /nfs/dbraw/zinc/14/95/45/860149545.db2.gz GKOVRZXZYJJQMY-KRWDZBQOSA-N 0 1 398.415 3.776 20 5 GHBDMN C[C@@H](N[C@@H]1CCO[C@H]1c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000602919169 860367997 /nfs/dbraw/zinc/36/79/97/860367997.db2.gz XWPMEWMQFQUOAE-PJSAGSTRSA-N 0 1 389.839 3.695 20 5 GHBDMN C[C@@H]1[C@H](C)N(C)CCN1C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000542664528 860459750 /nfs/dbraw/zinc/45/97/50/860459750.db2.gz ZPRHNAWLKBWGMJ-LSDHHAIUSA-N 0 1 384.436 3.943 20 5 GHBDMN Cc1[nH]c(SCC(=O)NCc2ccccc2[N+](=O)[O-])nc1Cc1ccccc1 ZINC000053268924 860732876 /nfs/dbraw/zinc/73/28/76/860732876.db2.gz PVXAIYUJVQOPID-UHFFFAOYSA-N 0 1 396.472 3.626 20 5 GHBDMN COc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])cc1OC ZINC000593733481 861082745 /nfs/dbraw/zinc/08/27/45/861082745.db2.gz UUVWKRYOEKCIMT-INIZCTEOSA-N 0 1 386.404 3.647 20 5 GHBDMN COc1ccc([C@@H]2CCC[N@H+]2Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])cc1OC ZINC000593733481 861082755 /nfs/dbraw/zinc/08/27/55/861082755.db2.gz UUVWKRYOEKCIMT-INIZCTEOSA-N 0 1 386.404 3.647 20 5 GHBDMN CSc1cccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c3ncccc23)c1 ZINC000509220675 863079247 /nfs/dbraw/zinc/07/92/47/863079247.db2.gz YJXFDVJQSRMQMO-UHFFFAOYSA-N 0 1 375.431 3.666 20 5 GHBDMN CN(C)CCN(C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)C1CCCC1 ZINC000444011347 863145003 /nfs/dbraw/zinc/14/50/03/863145003.db2.gz PGPJVTVMKQWJBQ-UHFFFAOYSA-N 0 1 377.488 3.628 20 5 GHBDMN Cc1c(NC(=O)[C@H](C)N2CC[C@H](COCc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000444162986 863570473 /nfs/dbraw/zinc/57/04/73/863570473.db2.gz AJRMYWYVNOIYGF-HKUYNNGSSA-N 0 1 397.475 3.769 20 5 GHBDMN COC(=O)COc1ccc(C[N@H+]2CC[C@@H](c3cc(C)cc(C)c3)C2)cc1[N+](=O)[O-] ZINC000475091973 864143304 /nfs/dbraw/zinc/14/33/04/864143304.db2.gz KWEQAGUGEQDRHT-GOSISDBHSA-N 0 1 398.459 3.753 20 5 GHBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000494477250 881775878 /nfs/dbraw/zinc/77/58/78/881775878.db2.gz QLMUOZYYXBQUFP-KXBFYZLASA-N 0 1 389.839 3.615 20 5 GHBDMN O=C(CCC(=O)c1ccc2ccc3cccc4ccc1c2c34)NCc1c[nH]nn1 ZINC000735079134 864609962 /nfs/dbraw/zinc/60/99/62/864609962.db2.gz CKIGZWBGFHEEFB-UHFFFAOYSA-N 0 1 382.423 3.981 20 5 GHBDMN C[C@H](OC(=O)c1c(F)cc(O)cc1F)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000735950933 865069964 /nfs/dbraw/zinc/06/99/64/865069964.db2.gz QYIFXDHMNZPBHE-QMMMGPOBSA-N 0 1 391.286 3.547 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1ccc(OC2CCCC2)nc1 ZINC000608874767 865776406 /nfs/dbraw/zinc/77/64/06/865776406.db2.gz CLLIJJPTTJVPOA-UHFFFAOYSA-N 0 1 397.840 3.765 20 5 GHBDMN CC(C)CCN1Cc2cccc(NC(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)c2C1 ZINC000609063842 866292880 /nfs/dbraw/zinc/29/28/80/866292880.db2.gz RFPDYOOTQONNKW-UHFFFAOYSA-N 0 1 397.431 3.938 20 5 GHBDMN COC(=O)COc1ccc(CN(C)[C@H](C)c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000475583022 866434289 /nfs/dbraw/zinc/43/42/89/866434289.db2.gz VFTCOHBFFAESPK-CYBMUJFWSA-N 0 1 392.839 3.993 20 5 GHBDMN Cc1cccc2c(=O)c(C(=O)N(C)Cc3cc([N+](=O)[O-])ccc3Cl)c[nH]c12 ZINC000741747198 866751772 /nfs/dbraw/zinc/75/17/72/866751772.db2.gz YFBMSUFGJNCNKO-UHFFFAOYSA-N 0 1 385.807 3.670 20 5 GHBDMN O=C(C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1)N(Cc1ccccc1)C1CC1 ZINC000152675696 866849486 /nfs/dbraw/zinc/84/94/86/866849486.db2.gz QZFSIWACRUDUHX-UHFFFAOYSA-N 0 1 393.487 3.998 20 5 GHBDMN C[C@H](N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cc2cccc(F)c2o1 ZINC000475699698 882027641 /nfs/dbraw/zinc/02/76/41/882027641.db2.gz XPWJDAOJMXVBSZ-YVEFUNNKSA-N 0 1 383.379 3.936 20 5 GHBDMN CC[C@H](NCc1ccc(Br)c([N+](=O)[O-])c1)c1c(C)nn(C)c1C ZINC000742387528 867254113 /nfs/dbraw/zinc/25/41/13/867254113.db2.gz CQJQRAVTTYSQBT-AWEZNQCLSA-N 0 1 381.274 3.949 20 5 GHBDMN O=C(Nc1cc(Cl)c(O)cc1F)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000553686237 867936988 /nfs/dbraw/zinc/93/69/88/867936988.db2.gz CZZFDBRMEQNVPX-UHFFFAOYSA-N 0 1 376.731 3.531 20 5 GHBDMN CCOc1ccc([C@@H](C)N[C@H](C)C(=O)N2Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC000479554202 868044106 /nfs/dbraw/zinc/04/41/06/868044106.db2.gz LZXXBOANIWZXGR-HUUCEWRRSA-N 0 1 383.448 3.575 20 5 GHBDMN O=[N+]([O-])c1cc(CN2CCC[C@H](c3nc4ccccc4o3)C2)c2c(c1)COCO2 ZINC000029825263 868790581 /nfs/dbraw/zinc/79/05/81/868790581.db2.gz CACIWMRHXIELOC-AWEZNQCLSA-N 0 1 395.415 3.982 20 5 GHBDMN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCN(C3CCC(C)CC3)CC2)c1 ZINC000524542284 869228835 /nfs/dbraw/zinc/22/88/35/869228835.db2.gz JXZHEYBEANFAEF-UHFFFAOYSA-N 0 1 377.510 3.653 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCCc1ccc(F)cc1 ZINC000462479706 869537731 /nfs/dbraw/zinc/53/77/31/869537731.db2.gz YPSZXUHLJAYTIV-UHFFFAOYSA-N 0 1 393.223 3.562 20 5 GHBDMN Cc1cc(C2CCN(c3ccc([N+](=O)[O-])c(OCc4ccccc4)n3)CC2)[nH]n1 ZINC000462691869 869903427 /nfs/dbraw/zinc/90/34/27/869903427.db2.gz MDKBRTICSZJAJQ-UHFFFAOYSA-N 0 1 393.447 3.984 20 5 GHBDMN O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)o1 ZINC000446973746 870833403 /nfs/dbraw/zinc/83/34/03/870833403.db2.gz FLEUNJDNACHHPT-YVEFUNNKSA-N 0 1 384.354 3.990 20 5 GHBDMN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCC[C@H]([C@@H](O)C(F)(F)F)C2)o1 ZINC000446973746 870833407 /nfs/dbraw/zinc/83/34/07/870833407.db2.gz FLEUNJDNACHHPT-YVEFUNNKSA-N 0 1 384.354 3.990 20 5 GHBDMN O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)o1 ZINC000446973745 870833498 /nfs/dbraw/zinc/83/34/98/870833498.db2.gz FLEUNJDNACHHPT-SJKOYZFVSA-N 0 1 384.354 3.990 20 5 GHBDMN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)o1 ZINC000446973745 870833501 /nfs/dbraw/zinc/83/35/01/870833501.db2.gz FLEUNJDNACHHPT-SJKOYZFVSA-N 0 1 384.354 3.990 20 5 GHBDMN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H](c3nnc(-c4ccccc4)[nH]3)C2)c1 ZINC000181343533 870886822 /nfs/dbraw/zinc/88/68/22/870886822.db2.gz VZYHZMWELMWRHK-INIZCTEOSA-N 0 1 391.431 3.708 20 5 GHBDMN COc1ccc2c(c1)CCCN2C(=O)CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181821538 871504817 /nfs/dbraw/zinc/50/48/17/871504817.db2.gz QHNXPUCFMCDANL-OAHLLOKOSA-N 0 1 383.448 3.542 20 5 GHBDMN COc1cc(CNc2nnc(Cc3cccc(F)c3)s2)cc([N+](=O)[O-])c1O ZINC000181821902 871504995 /nfs/dbraw/zinc/50/49/95/871504995.db2.gz SMVVVKMRNUGDFD-UHFFFAOYSA-N 0 1 390.396 3.503 20 5 GHBDMN C[C@@H]1CN(c2cccc3cnccc32)CCN1CCOc1cccc([N+](=O)[O-])c1 ZINC001169864707 871969057 /nfs/dbraw/zinc/96/90/57/871969057.db2.gz RBHRTFXFGMNGQZ-QGZVFWFLSA-N 0 1 392.459 3.733 20 5 GHBDMN CC(C)(CO)[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000429722015 872011250 /nfs/dbraw/zinc/01/12/50/872011250.db2.gz SBYYHGAZGVBWHT-SFHVURJKSA-N 0 1 391.855 3.536 20 5 GHBDMN CC1CCC(N2CCN(C(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CC1 ZINC000463730714 872427410 /nfs/dbraw/zinc/42/74/10/872427410.db2.gz FTMQSKJMTRZPSG-UHFFFAOYSA-N 0 1 399.413 3.950 20 5 GHBDMN Cc1c(Br)n[nH]c1C(=O)Nc1cc2cccnc2c2ncccc12 ZINC001195599304 872498271 /nfs/dbraw/zinc/49/82/71/872498271.db2.gz JOQQHGHFTLFPSH-UHFFFAOYSA-N 0 1 382.221 3.829 20 5 GHBDMN Cc1ccc(Sc2ccc(CN[C@H](CO)[C@H]3CCCO3)cc2[N+](=O)[O-])cc1 ZINC000447968739 872580985 /nfs/dbraw/zinc/58/09/85/872580985.db2.gz RPMXDHCSIKERER-IEBWSBKVSA-N 0 1 388.489 3.684 20 5 GHBDMN CCCOc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)cc1 ZINC000463783331 872596965 /nfs/dbraw/zinc/59/69/65/872596965.db2.gz BOXYLNAHLNKJAY-UHFFFAOYSA-N 0 1 387.417 3.733 20 5 GHBDMN CCOc1ccc(NC(=O)CN[C@@H](C)c2cc(C)sc2C)c([N+](=O)[O-])c1 ZINC000182761930 872754450 /nfs/dbraw/zinc/75/44/50/872754450.db2.gz IBEADWTXWFPLEM-LBPRGKRZSA-N 0 1 377.466 3.961 20 5 GHBDMN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1ccccc1Nc1ccncc1 ZINC000619581270 872767978 /nfs/dbraw/zinc/76/79/78/872767978.db2.gz AOXSFONVFDXKKJ-UHFFFAOYSA-N 0 1 387.399 3.818 20 5 GHBDMN Cc1cccc(-c2n[nH]cc2CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000768149895 873095447 /nfs/dbraw/zinc/09/54/47/873095447.db2.gz GFEMLOVPATVOBT-UHFFFAOYSA-N 0 1 377.448 3.616 20 5 GHBDMN C[C@@H](O)CN(Cc1ccccc1)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000768891095 873651417 /nfs/dbraw/zinc/65/14/17/873651417.db2.gz AOHUESJCVMTEBJ-CYBMUJFWSA-N 0 1 379.254 3.740 20 5 GHBDMN C[C@@H]1C[C@@H]1c1ccc(CCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)o1 ZINC000609135933 874238469 /nfs/dbraw/zinc/23/84/69/874238469.db2.gz GZBMORBULQIKLD-ABAIWWIYSA-N 0 1 381.392 3.668 20 5 GHBDMN C[C@@](CO)(Cc1ccccc1F)NCc1ccc([N+](=O)[O-])cc1Br ZINC001198219576 874279950 /nfs/dbraw/zinc/27/99/50/874279950.db2.gz QTEJADKKMKTHHZ-KRWDZBQOSA-N 0 1 397.244 3.580 20 5 GHBDMN Cc1ccc([C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)N2CCCC2)o1 ZINC000541833870 874357264 /nfs/dbraw/zinc/35/72/64/874357264.db2.gz RJWUJCBSNIGSKO-INIZCTEOSA-N 0 1 376.388 3.594 20 5 GHBDMN CN(C)[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1)c1ccc(F)cc1 ZINC000770018461 874408131 /nfs/dbraw/zinc/40/81/31/874408131.db2.gz YNQAYKSZRXBIAO-MRXNPFEDSA-N 0 1 380.807 3.812 20 5 GHBDMN CN(C)Cc1cc(CNC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)ccc1F ZINC000770018026 874408146 /nfs/dbraw/zinc/40/81/46/874408146.db2.gz GBVRFKZEXRALSO-UHFFFAOYSA-N 0 1 380.807 3.771 20 5 GHBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCC[C@@H](COC)C2)cc1OC ZINC000541987163 874677964 /nfs/dbraw/zinc/67/79/64/874677964.db2.gz LXRBLPSWAMBEBD-JKSUJKDBSA-N 0 1 380.485 3.887 20 5 GHBDMN CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C[C@@H]1CC=CCC1 ZINC000542252545 875226686 /nfs/dbraw/zinc/22/66/86/875226686.db2.gz JQJBLEIGZTXXHO-GFCCVEGCSA-N 0 1 382.258 3.584 20 5 GHBDMN COc1cccc(-c2nc(C)c(C(=O)OCc3ccc([N+](=O)[O-])cc3F)[nH]2)c1 ZINC000772108981 875701144 /nfs/dbraw/zinc/70/11/44/875701144.db2.gz YYQMACOZHCLSHV-UHFFFAOYSA-N 0 1 385.351 3.798 20 5 GHBDMN C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000776198182 875778438 /nfs/dbraw/zinc/77/84/38/875778438.db2.gz URZTVOOCLMYJOR-HNNXBMFYSA-N 0 1 399.447 3.806 20 5 GHBDMN Cn1cccc1[C@H]1CCCCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000450066727 875932025 /nfs/dbraw/zinc/93/20/25/875932025.db2.gz HPTGDVITUCRKBB-LJQANCHMSA-N 0 1 379.420 3.691 20 5 GHBDMN CCN1CCN(c2ccccc2NC(=O)c2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000858259220 882983068 /nfs/dbraw/zinc/98/30/68/882983068.db2.gz WIOXBUIQFVIEGI-UHFFFAOYSA-N 0 1 388.855 3.642 20 5 GHBDMN C[C@H]1CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)C[C@@H](c2ccsc2)O1 ZINC000450163333 876027771 /nfs/dbraw/zinc/02/77/71/876027771.db2.gz SUXZWKAXRKDIRY-SGTLLEGYSA-N 0 1 398.444 3.649 20 5 GHBDMN Cc1nc2cc(NCc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)ccc2n1C ZINC000151963128 876302603 /nfs/dbraw/zinc/30/26/03/876302603.db2.gz KAEPNHWXTXEOOK-UHFFFAOYSA-N 0 1 376.420 3.803 20 5 GHBDMN COc1cc2c(c(OC)c1OC)CCN(C/C=C\c1ccccc1[N+](=O)[O-])CC2 ZINC000537660184 883054732 /nfs/dbraw/zinc/05/47/32/883054732.db2.gz ATCZPMYPHVZDQT-VURMDHGXSA-N 0 1 398.459 3.735 20 5 GHBDMN CCc1[nH]n(Cc2ccccc2C)c(=O)c1CCNc1ccc([N+](=O)[O-])nc1 ZINC000450718549 876816506 /nfs/dbraw/zinc/81/65/06/876816506.db2.gz OFALCMHHFOIBAU-QGZVFWFLSA-N 0 1 381.436 3.525 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@@H](C)c1ccc(N2CCNC2=O)cc1 ZINC000850475675 876952999 /nfs/dbraw/zinc/95/29/99/876952999.db2.gz BJLVFNHZHYPEEF-UONOGXRCSA-N 0 1 384.436 3.545 20 5 GHBDMN Cc1cc(S(=O)(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)c(C)s1 ZINC000551474302 877261039 /nfs/dbraw/zinc/26/10/39/877261039.db2.gz WSVLOBDYWXMSHX-UHFFFAOYSA-N 0 1 391.268 3.836 20 5 GHBDMN Cc1cccc(C(=O)N[C@@H]2CCc3nc(C4CCCCC4)[nH]c3C2)c1[N+](=O)[O-] ZINC000788247457 877950886 /nfs/dbraw/zinc/95/08/86/877950886.db2.gz USWKZUXEPGBPME-OAHLLOKOSA-N 0 1 382.464 3.961 20 5 GHBDMN Cc1noc(CN2CCCC[C@H]2[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000852095199 878074843 /nfs/dbraw/zinc/07/48/43/878074843.db2.gz LLBYFPQIOAYKRR-GJZGRUSLSA-N 0 1 394.472 3.503 20 5 GHBDMN C[C@@H](N[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000180447557 878896183 /nfs/dbraw/zinc/89/61/83/878896183.db2.gz CQXMUMRYWWUTSA-MNOVXSKESA-N 0 1 392.799 3.834 20 5 GHBDMN CN(C)[C@H](CNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1cccs1 ZINC000493439715 879434415 /nfs/dbraw/zinc/43/44/15/879434415.db2.gz KJTBPCTZEQOCOB-MRXNPFEDSA-N 0 1 375.494 3.987 20 5 GHBDMN CC[C@H](NCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1ccc(Cl)s1 ZINC000544448348 879553397 /nfs/dbraw/zinc/55/33/97/879553397.db2.gz FMNWAPWSCIDLRK-NSHDSACASA-N 0 1 383.857 3.998 20 5 GHBDMN CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NCc2ccc3nc[nH]c3c2)CC1 ZINC000854811990 880067712 /nfs/dbraw/zinc/06/77/12/880067712.db2.gz XGJHMKCAPDLOBM-UHFFFAOYSA-N 0 1 393.447 3.637 20 5 GHBDMN COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)cc1 ZINC000791433380 880401935 /nfs/dbraw/zinc/40/19/35/880401935.db2.gz VMHJTNZZALAURD-UHFFFAOYSA-N 0 1 377.205 3.711 20 5 GHBDMN O=C(N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000476855981 883282912 /nfs/dbraw/zinc/28/29/12/883282912.db2.gz UGJIEFATGYMUFQ-LBPRGKRZSA-N 0 1 396.230 3.616 20 5 GHBDMN CCOC(=O)c1cc(C(=O)Nc2cc(Cl)c(O)cc2F)cc([N+](=O)[O-])c1 ZINC000805261806 883725469 /nfs/dbraw/zinc/72/54/69/883725469.db2.gz NYDPQJPDKFICHD-UHFFFAOYSA-N 0 1 382.731 3.522 20 5 GHBDMN CCN(CC)CC(=O)Nc1cccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1 ZINC000805312380 883780327 /nfs/dbraw/zinc/78/03/27/883780327.db2.gz OETAFVJPHSCNNQ-JLHYYAGUSA-N 0 1 396.447 3.527 20 5 GHBDMN CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000609891300 883799812 /nfs/dbraw/zinc/79/98/12/883799812.db2.gz XBULEUWPPAAZMC-QGHHPUGFSA-N 0 1 388.811 3.631 20 5 GHBDMN C[C@]1(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CCN(Cc2ccccc2)C1 ZINC001130393274 884105353 /nfs/dbraw/zinc/10/53/53/884105353.db2.gz JATSWWILXCSHBW-NRFANRHFSA-N 0 1 379.416 3.735 20 5 GHBDMN C[C@@H]1CN(c2cccc(Cl)c2)CCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC001170501122 884455281 /nfs/dbraw/zinc/45/52/81/884455281.db2.gz MWFONNLWOSKNNK-OAHLLOKOSA-N 0 1 375.856 3.838 20 5 GHBDMN O=[N+]([O-])c1sc(CNC[C@@H]2CCC3(CCC3)CO2)cc1Br ZINC001183822101 912860802 /nfs/dbraw/zinc/86/08/02/912860802.db2.gz CRSDRSPSROHXPV-JTQLQIEISA-N 0 1 375.288 3.858 20 5 GHBDMN O=C([O-])/C=C\c1ccc(NCCC[N@H+]2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000914787233 884791123 /nfs/dbraw/zinc/79/11/23/884791123.db2.gz GIDCOTFQSJLOBC-CLFYSBASSA-N 0 1 381.432 3.553 20 5 GHBDMN C[C@@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@H](C)[C@@H](C)N1Cc1ccccc1 ZINC001130668300 884807302 /nfs/dbraw/zinc/80/73/02/884807302.db2.gz HDZMFSDBNPIWSW-KZNAEPCWSA-N 0 1 381.476 3.647 20 5 GHBDMN Cc1cccnc1[C@@H](NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C(C)C ZINC000118839761 886248259 /nfs/dbraw/zinc/24/82/59/886248259.db2.gz QVSMKIJOABCQNB-KRWDZBQOSA-N 0 1 376.844 3.877 20 5 GHBDMN Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)cc1[N+](=O)[O-] ZINC000762591065 886479385 /nfs/dbraw/zinc/47/93/85/886479385.db2.gz YZNNYCWZHUHEDB-UHFFFAOYSA-N 0 1 385.785 3.574 20 5 GHBDMN O=[N+]([O-])c1cccc(N2CCN(C[C@H](O)c3ccc4ccccc4c3)CC2)c1 ZINC000915680051 887314530 /nfs/dbraw/zinc/31/45/30/887314530.db2.gz ZZEBHRONAVAWAZ-QFIPXVFZSA-N 0 1 377.444 3.604 20 5 GHBDMN Cc1c(CNCc2cc(Br)cc3c2OCC3)cccc1[N+](=O)[O-] ZINC000322692801 887588814 /nfs/dbraw/zinc/58/88/14/887588814.db2.gz ORIICUMUFXAKQM-UHFFFAOYSA-N 0 1 377.238 3.890 20 5 GHBDMN C[C@@H](NCc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000809626513 887624366 /nfs/dbraw/zinc/62/43/66/887624366.db2.gz KSXYZOQQOUPDMG-FOIQADDNSA-N 0 1 389.883 3.627 20 5 GHBDMN COc1cccc(C(=O)Nc2ccc3nc([C@@H]4CCCO4)[nH]c3c2)c1[N+](=O)[O-] ZINC000194146948 888071876 /nfs/dbraw/zinc/07/18/76/888071876.db2.gz JQAPGEAGUUOJLV-INIZCTEOSA-N 0 1 382.376 3.584 20 5 GHBDMN CCN1CCN(c2cc(N(C)C(=O)C[C@@H]3CCC[C@@H]3C)cc([N+](=O)[O-])c2)CC1 ZINC001132062953 888131374 /nfs/dbraw/zinc/13/13/74/888131374.db2.gz ORNAFAUMTICEQL-IRXDYDNUSA-N 0 1 388.512 3.526 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(C)CCCCc1ccccc1 ZINC000532920188 889333476 /nfs/dbraw/zinc/33/34/76/889333476.db2.gz XYMIWRFRFKRFIZ-MRXNPFEDSA-N 0 1 385.464 3.885 20 5 GHBDMN CC1(C)C[C@H](NCc2ccncc2OC[C@H]2CCOC2)c2cc([N+](=O)[O-])ccc21 ZINC000287461747 913353142 /nfs/dbraw/zinc/35/31/42/913353142.db2.gz VUOGNBMFKYTGDL-YWZLYKJASA-N 0 1 397.475 3.917 20 5 GHBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC[C@H]2C[C@@H](O)c2cccs2)c1 ZINC000811467335 889627317 /nfs/dbraw/zinc/62/73/17/889627317.db2.gz KJZBGYJANVPJHT-DOTOQJQBSA-N 0 1 390.461 3.531 20 5 GHBDMN C[C@H](CNC(=O)OC(C)(C)C)NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811490655 889641500 /nfs/dbraw/zinc/64/15/00/889641500.db2.gz SILIWUCGLIDCBR-SECBINFHSA-N 0 1 378.256 3.904 20 5 GHBDMN CN(Cc1cc(F)ccc1Oc1cccc(Cl)c1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001133074045 890079544 /nfs/dbraw/zinc/07/95/44/890079544.db2.gz IXYSLOIXMNFCDP-HZPDHXFCSA-N 0 1 378.787 3.895 20 5 GHBDMN COc1ccc(NC(=O)CN(C)[C@H](C)Cc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000533438726 890517351 /nfs/dbraw/zinc/51/73/51/890517351.db2.gz NFJIWBXVIHRJNF-CYBMUJFWSA-N 0 1 391.855 3.758 20 5 GHBDMN O=C([O-])/C=C/c1ccc(N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000917062731 890898077 /nfs/dbraw/zinc/89/80/77/890898077.db2.gz WHSMNWRMVORNSG-SXAWMYDMSA-N 0 1 381.432 3.769 20 5 GHBDMN O=[N+]([O-])c1ccc(CCNCc2cn(-c3cccc(Cl)c3Cl)nn2)cc1 ZINC000533640111 891010505 /nfs/dbraw/zinc/01/05/05/891010505.db2.gz KXRPZXDCUJYFOE-UHFFFAOYSA-N 0 1 392.246 3.815 20 5 GHBDMN CCN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H](C)[C@H](O)c1ccccc1 ZINC000812850144 891043082 /nfs/dbraw/zinc/04/30/82/891043082.db2.gz LWGOCSBSUMKNHO-LIRRHRJNSA-N 0 1 382.420 3.589 20 5 GHBDMN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2NCc2nc(-c3ccncc3)cs2)n1 ZINC000872121743 891166875 /nfs/dbraw/zinc/16/68/75/891166875.db2.gz OMCAILIZJNEKOL-GOEBONIOSA-N 0 1 384.465 3.583 20 5 GHBDMN COc1cc(CN[C@H](C)c2ccccc2[N+](=O)[O-])cc(Br)c1O ZINC000873184275 891510657 /nfs/dbraw/zinc/51/06/57/891510657.db2.gz JLSQGLIDXQFYEQ-SNVBAGLBSA-N 0 1 381.226 3.922 20 5 GHBDMN CN1CCN(c2ccc([N+](=O)[O-])c(NC(=O)C/C=C\c3ccc(F)cc3)c2)CC1 ZINC001134197040 892459308 /nfs/dbraw/zinc/45/93/08/892459308.db2.gz AZTOPODUNXRXEK-IHWYPQMZSA-N 0 1 398.438 3.528 20 5 GHBDMN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000192455598 892466164 /nfs/dbraw/zinc/46/61/64/892466164.db2.gz VOFCVFOBQHWRBW-MRXNPFEDSA-N 0 1 391.431 3.708 20 5 GHBDMN CC(C)(C)OC(=O)N1C[C@@H]2CCN(Cc3ccc([N+](=O)[O-])cc3F)CC[C@@H]2C1 ZINC000814676385 893055735 /nfs/dbraw/zinc/05/57/35/893055735.db2.gz LDLRUYXDVNMPQP-GASCZTMLSA-N 0 1 393.459 3.813 20 5 GHBDMN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@H](C)N1CCc2ccccc2C1 ZINC000536685997 893532255 /nfs/dbraw/zinc/53/22/55/893532255.db2.gz WXVLUWAVHPYZMH-MRXNPFEDSA-N 0 1 381.476 3.697 20 5 GHBDMN CCN(Cc1nc2c(s1)C[C@@H](C)CC2)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC001135013326 893832668 /nfs/dbraw/zinc/83/26/68/893832668.db2.gz UJJOUZVYGKYTDV-NSHDSACASA-N 0 1 399.476 3.715 20 5 GHBDMN O=C(c1c(O)cc(Cl)cc1Cl)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000748009801 894036126 /nfs/dbraw/zinc/03/61/26/894036126.db2.gz IIKTXUWZUJIUAX-UHFFFAOYSA-N 0 1 396.230 3.570 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(CN2CCCC3(CCOCC3)C2)o1 ZINC000878132019 894041885 /nfs/dbraw/zinc/04/18/85/894041885.db2.gz IFVPIPITCFHQBY-UHFFFAOYSA-N 0 1 392.843 3.691 20 5 GHBDMN CC[C@@H]1OCC[C@H]1N[C@@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000459784766 894185722 /nfs/dbraw/zinc/18/57/22/894185722.db2.gz YAAHGIRPEKBBCH-YZGWKJHDSA-N 0 1 383.448 3.740 20 5 GHBDMN C[C@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1Cl ZINC000537114741 894364384 /nfs/dbraw/zinc/36/43/84/894364384.db2.gz GELGIVOTXORDIO-AAEUAGOBSA-N 0 1 385.247 3.992 20 5 GHBDMN Cc1ccc([C@@H](C)NCC(=O)N(CC(C)C)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000537174058 894492106 /nfs/dbraw/zinc/49/21/06/894492106.db2.gz VFVMCBASBOIJQX-CYBMUJFWSA-N 0 1 375.391 3.601 20 5 GHBDMN O=C(N[C@H](c1ccccc1)[C@@H](O)c1ccccc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000816794983 895081331 /nfs/dbraw/zinc/08/13/31/895081331.db2.gz NDVTWPPGPFUAJN-UXHICEINSA-N 0 1 378.384 3.505 20 5 GHBDMN Cc1cc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000565366705 895568788 /nfs/dbraw/zinc/56/87/88/895568788.db2.gz GACBGQJAXBBJLD-UHFFFAOYSA-N 0 1 389.839 3.577 20 5 GHBDMN O=[N+]([O-])c1ccc(NCC2(CN3CCOCC3)CCCCC2)cc1OC(F)F ZINC001185677052 914037467 /nfs/dbraw/zinc/03/74/67/914037467.db2.gz QWWLMJHEWCYMGW-UHFFFAOYSA-N 0 1 399.438 3.891 20 5 GHBDMN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC001136192529 896398213 /nfs/dbraw/zinc/39/82/13/896398213.db2.gz GYYKZVYIBNKQSK-UHFFFAOYSA-N 0 1 397.475 3.650 20 5 GHBDMN CC(=O)Nc1ccc(C)cc1NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C ZINC000130643006 897170233 /nfs/dbraw/zinc/17/02/33/897170233.db2.gz ALTRLCGDOHVKNQ-UHFFFAOYSA-N 0 1 397.840 3.624 20 5 GHBDMN Cc1c(NC(=O)[C@@H](C)Sc2nc(-c3ccccc3)n[nH]2)cccc1[N+](=O)[O-] ZINC000042207548 897296686 /nfs/dbraw/zinc/29/66/86/897296686.db2.gz NWFAJMNCFBJBRO-GFCCVEGCSA-N 0 1 383.433 3.808 20 5 GHBDMN O=C(Nc1ccc2oc(CN3CCCC3)nc2c1)c1ccc(F)cc1[N+](=O)[O-] ZINC000820493176 897358863 /nfs/dbraw/zinc/35/88/63/897358863.db2.gz NWBYKBCKHZKODK-UHFFFAOYSA-N 0 1 384.367 3.723 20 5 GHBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCCC[C@@H]2C2(O)CC2)cc1OC ZINC001170950343 897436713 /nfs/dbraw/zinc/43/67/13/897436713.db2.gz XUIOSXWZIDGISZ-MGPUTAFESA-N 0 1 392.496 3.908 20 5 GHBDMN CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CCCC[C@H]2C2(O)CC2)cc1OC ZINC001170950347 897436804 /nfs/dbraw/zinc/43/68/04/897436804.db2.gz XUIOSXWZIDGISZ-QRWLVFNGSA-N 0 1 392.496 3.908 20 5 GHBDMN Cc1cccc2nc(CNC(=O)[C@@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])[nH]c21 ZINC000155216491 898436002 /nfs/dbraw/zinc/43/60/02/898436002.db2.gz SBPFGSFEJGNBCA-LLVKDONJSA-N 0 1 388.811 3.517 20 5 GHBDMN Cc1[nH]nc(C(=O)N2CC[C@H](C)[C@@H]2c2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-] ZINC000331454548 898904310 /nfs/dbraw/zinc/90/43/10/898904310.db2.gz AECHXBCUFVNHGR-LKFCYVNXSA-N 0 1 382.342 3.868 20 5 GHBDMN Cc1cc(Cl)c(C(=O)N2CCCN(Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000823899848 899291043 /nfs/dbraw/zinc/29/10/43/899291043.db2.gz WYYNWTQHVHAKRN-UHFFFAOYSA-N 0 1 387.867 3.905 20 5 GHBDMN COc1cc(CN[C@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)c([N+](=O)[O-])cc1F ZINC000570640943 899463065 /nfs/dbraw/zinc/46/30/65/899463065.db2.gz FETITRQVQHOZOO-QFBILLFUSA-N 0 1 395.381 3.556 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@H](c1ncccc1C)C(C)C ZINC000118841086 899481402 /nfs/dbraw/zinc/48/14/02/899481402.db2.gz HLUOOVXXPJRNAU-KDOFPFPSSA-N 0 1 386.452 3.621 20 5 GHBDMN CCN1CCc2ccc(NC(=O)c3cc(-c4ccc([N+](=O)[O-])cc4)n[nH]3)cc21 ZINC001143622533 900238431 /nfs/dbraw/zinc/23/84/31/900238431.db2.gz QRBMKRUBAVPDQF-UHFFFAOYSA-N 0 1 377.404 3.620 20 5 GHBDMN O=C([O-])/C=C/c1ccc(NC[C@@H]2CCC[N@H+]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000844211790 900605593 /nfs/dbraw/zinc/60/55/93/900605593.db2.gz ZHPGVDVKDYLUHE-CKDFRHGISA-N 0 1 381.432 3.769 20 5 GHBDMN COc1ccc(-c2nnc(NC(=O)c3cc(F)cc(C)c3[N+](=O)[O-])s2)cc1 ZINC000136349205 900633014 /nfs/dbraw/zinc/63/30/14/900633014.db2.gz JLSFKGVOXOBKLB-UHFFFAOYSA-N 0 1 388.380 3.822 20 5 GHBDMN C[C@H](C(=O)NC1CCN(Cc2ccc(F)cc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000574137750 900790375 /nfs/dbraw/zinc/79/03/75/900790375.db2.gz ZPQSTWYOZDBOMY-HNNXBMFYSA-N 0 1 385.439 3.618 20 5 GHBDMN CCCN1Cc2cccc(N[C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3OC)c2C1 ZINC000066968491 901032079 /nfs/dbraw/zinc/03/20/79/901032079.db2.gz PPSNVGOZRALFRU-AWEZNQCLSA-N 0 1 398.463 3.768 20 5 GHBDMN CCOc1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000047608677 902204562 /nfs/dbraw/zinc/20/45/62/902204562.db2.gz BPLVZYYJRYIJSZ-KGLIPLIRSA-N 0 1 387.436 3.680 20 5 GHBDMN O=C([O-])/C=C\c1ccc(OCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000846236536 902810487 /nfs/dbraw/zinc/81/04/87/902810487.db2.gz MFGOHQBPDRYDAO-XGICHPGQSA-N 0 1 382.416 3.736 20 5 GHBDMN Cc1c([C@@H](C)N[C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cccc1[N+](=O)[O-] ZINC000133798151 903422867 /nfs/dbraw/zinc/42/28/67/903422867.db2.gz IALUMQXNKYUVFF-HUUCEWRRSA-N 0 1 391.493 3.565 20 5 GHBDMN C[C@H](c1ccc(F)cc1)N1CC[C@@H](N(C)CCc2ccccc2[N+](=O)[O-])C1=O ZINC000579257820 904458947 /nfs/dbraw/zinc/45/89/47/904458947.db2.gz NXEUTJSGDDSKAW-FOIQADDNSA-N 0 1 385.439 3.570 20 5 GHBDMN CCOc1ccc(NC(=O)CNC2(c3ccc(C)cc3)CCC2)c([N+](=O)[O-])c1 ZINC001171724083 904949874 /nfs/dbraw/zinc/94/98/74/904949874.db2.gz LLMITYAUVMJNNI-UHFFFAOYSA-N 0 1 383.448 3.909 20 5 GHBDMN CCOC[C@@H]1CN([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)Cc2cnn(CC)c21 ZINC001172909032 905970301 /nfs/dbraw/zinc/97/03/01/905970301.db2.gz QPBUESMAMAPCHU-VQTJNVASSA-N 0 1 398.507 3.695 20 5 GHBDMN COc1cc(C(=O)Nc2ccc3nc([C@@H]4CCCO4)[nH]c3c2)cc([N+](=O)[O-])c1C ZINC000190434800 906036543 /nfs/dbraw/zinc/03/65/43/906036543.db2.gz NRFCXDDKZCVOQW-KRWDZBQOSA-N 0 1 396.403 3.892 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CCC[C@H](C(=O)OC(C)(C)C)C2)c1F ZINC001173189682 906269197 /nfs/dbraw/zinc/26/91/97/906269197.db2.gz LTFRTRUBSBIFKC-KBPBESRZSA-N 0 1 396.459 3.727 20 5 GHBDMN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCN(c2nccc3ccccc32)CC1 ZINC001173225439 906307650 /nfs/dbraw/zinc/30/76/50/906307650.db2.gz CEDWZNAIJAMUQB-KRWDZBQOSA-N 0 1 376.460 3.896 20 5 GHBDMN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCN(c2ncccc2C(F)(F)F)CC1 ZINC001173229001 906313308 /nfs/dbraw/zinc/31/33/08/906313308.db2.gz PRNKXIKOKNZOFH-AWEZNQCLSA-N 0 1 394.397 3.762 20 5 GHBDMN O=C(Nc1ccc(OC(=O)c2cc([N+](=O)[O-])ccc2O)cc1)c1ccsc1 ZINC000779662831 908079594 /nfs/dbraw/zinc/07/95/94/908079594.db2.gz ALQBNNBBBCJRJF-UHFFFAOYSA-N 0 1 384.369 3.833 20 5 GHBDMN CC(C)CCSc1ccc(C(=O)NC2(c3nnc[nH]3)CCC2)cc1[N+](=O)[O-] ZINC000194286816 908870986 /nfs/dbraw/zinc/87/09/86/908870986.db2.gz FFNRZTABSKYDQP-UHFFFAOYSA-N 0 1 389.481 3.660 20 5 GHBDMN O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3cc4ccnc(Cl)c4s3)C2)nc1 ZINC001179937658 909815332 /nfs/dbraw/zinc/81/53/32/909815332.db2.gz NZVVAGOUNJRQEF-GFCCVEGCSA-N 0 1 389.868 3.939 20 5 GHBDMN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1ccc2nc(-c3ccccn3)[nH]c2c1 ZINC000801891412 921584077 /nfs/dbraw/zinc/58/40/77/921584077.db2.gz LKTFOIPBPQYWBX-UHFFFAOYSA-N 0 1 392.350 3.507 20 5 GHBDMN COC(=O)COc1ccc([C@H](C)NCc2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000274458081 911340841 /nfs/dbraw/zinc/34/08/41/911340841.db2.gz LVEHIMGPPDAPAJ-LBPRGKRZSA-N 0 1 378.812 3.651 20 5 GHBDMN C[C@@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1OCCc2sccc21 ZINC000292457769 915694398 /nfs/dbraw/zinc/69/43/98/915694398.db2.gz QCDHDWJNKUCQQI-BMLIUANNSA-N 0 1 395.868 3.540 20 5 GHBDMN C[C@@H](NCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1-n1cccn1 ZINC000775400462 917433855 /nfs/dbraw/zinc/43/38/55/917433855.db2.gz JDWVCJJFOXYUPZ-CYBMUJFWSA-N 0 1 399.838 3.723 20 5 GHBDMN CN(CCCCCc1cc(-c2ccccc2)no1)Cc1cn(C)nc1[N+](=O)[O-] ZINC001190713577 917501295 /nfs/dbraw/zinc/50/12/95/917501295.db2.gz NGRYALXYACBNCX-UHFFFAOYSA-N 0 1 383.452 3.828 20 5 GHBDMN O=C1[C@H](NCc2ccc([N+](=O)[O-])cc2)CCN1c1ccc(C(F)(F)F)cc1 ZINC000113306745 919367445 /nfs/dbraw/zinc/36/74/45/919367445.db2.gz WHQGMKBKFPXRSF-MRXNPFEDSA-N 0 1 379.338 3.509 20 5 GHBDMN C[C@H](c1cc(F)ccc1F)N(C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000117335900 919538308 /nfs/dbraw/zinc/53/83/08/919538308.db2.gz ZXQMWSNBTVQVBQ-GFCCVEGCSA-N 0 1 391.374 3.864 20 5 GHBDMN O=[N+]([O-])c1ccc(CNC[C@H](O)c2cccc(Br)c2)c(Cl)c1 ZINC000800289209 919846077 /nfs/dbraw/zinc/84/60/77/919846077.db2.gz JTJGWPFMJKOMTN-HNNXBMFYSA-N 0 1 385.645 3.834 20 5 GHBDMN O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccccc1-c1nnc[nH]1 ZINC000364816646 920045192 /nfs/dbraw/zinc/04/51/92/920045192.db2.gz XPYRDRXTAPGGHE-UHFFFAOYSA-N 0 1 395.422 3.579 20 5 GHBDMN O=[N+]([O-])c1cc(CN2C[C@H]3CCC[C@@]3(c3nc(-c4cccnc4)no3)C2)cs1 ZINC000365169435 920461497 /nfs/dbraw/zinc/46/14/97/920461497.db2.gz JERLDDOTAJWXMK-DNVCBOLYSA-N 0 1 397.460 3.655 20 5 GHBDMN CC[C@@](C)(NCCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1nc(C)cs1 ZINC000298743854 920876525 /nfs/dbraw/zinc/87/65/25/920876525.db2.gz WAIQSJLFQHFMQN-GOSISDBHSA-N 0 1 392.481 3.612 20 5 GHBDMN O=[N+]([O-])c1ccc(CN2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)cc1F ZINC000801522447 921092894 /nfs/dbraw/zinc/09/28/94/921092894.db2.gz SDCVMVNOTJGVLP-UHFFFAOYSA-N 0 1 381.411 3.899 20 5 GHBDMN CC[C@H](CSc1ccccc1[N+](=O)[O-])NCc1nc(CN(C)C)cs1 ZINC000903223266 922868128 /nfs/dbraw/zinc/86/81/28/922868128.db2.gz ZMUJLJDGGKJCOE-CYBMUJFWSA-N 0 1 380.539 3.773 20 5 GHBDMN Cn1cc([C@@]2(CN[C@H](c3ccccc3)c3cccc([N+](=O)[O-])c3)CCCO2)cn1 ZINC000903362458 922960950 /nfs/dbraw/zinc/96/09/50/922960950.db2.gz ZUDDZZREHLSITR-YADHBBJMSA-N 0 1 392.459 3.713 20 5 GHBDMN O=[N+]([O-])c1cc(CN[C@H](c2ccccc2)C2CCOCC2)c2c(c1)COCO2 ZINC000369343416 923289498 /nfs/dbraw/zinc/28/94/98/923289498.db2.gz MXGKVPRICVDERU-HXUWFJFHSA-N 0 1 384.432 3.719 20 5 GHBDMN O=C(OCc1c(F)cccc1[N+](=O)[O-])c1ccc(-c2nnc(C3CC3)[nH]2)cc1 ZINC000748897637 923904170 /nfs/dbraw/zinc/90/41/70/923904170.db2.gz MGJIBHOAZFHYNX-UHFFFAOYSA-N 0 1 382.351 3.753 20 5 GHBDMN C[C@@H](N[C@@H](C)C(=O)Nc1ccc2c(c1)OC(F)(F)O2)c1cccc([N+](=O)[O-])c1 ZINC000410224118 925431034 /nfs/dbraw/zinc/43/10/34/925431034.db2.gz KEWOSOMPXJPYAF-MNOVXSKESA-N 0 1 393.346 3.594 20 5 GHBDMN O=[N+]([O-])c1cc(CN2CCCC[C@@H]2[C@H](O)c2ccccc2)c2c(c1)COCO2 ZINC000726972396 926966506 /nfs/dbraw/zinc/96/65/06/926966506.db2.gz AOHFQDMBXVSYQD-WOJBJXKFSA-N 0 1 384.432 3.549 20 5 GHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000412667572 927712480 /nfs/dbraw/zinc/71/24/80/927712480.db2.gz HOWUBFFNWGXWGY-QGZVFWFLSA-N 0 1 376.416 3.881 20 5 GHBDMN CCc1ccc([C@H](NC[C@@H]2CCCN2CCOC)c2ccc([N+](=O)[O-])cc2)o1 ZINC000544359188 929088560 /nfs/dbraw/zinc/08/85/60/929088560.db2.gz VZZKIJDJLVEMTI-GHTZIAJQSA-N 0 1 387.480 3.540 20 5 GHBDMN CCc1ccc([C@H](NC[C@H]2CCCN2CCOC)c2ccc([N+](=O)[O-])cc2)o1 ZINC000544359845 929089586 /nfs/dbraw/zinc/08/95/86/929089586.db2.gz VZZKIJDJLVEMTI-WIYYLYMNSA-N 0 1 387.480 3.540 20 5 GHBDMN O=C(CCCCc1cn[nH]n1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000469238403 929722001 /nfs/dbraw/zinc/72/20/01/929722001.db2.gz JTJPEMZYJVSPKE-UHFFFAOYSA-N 0 1 381.392 3.857 20 5 GHBDMN CC[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CCN1Cc1ccccc1 ZINC000546054477 929810300 /nfs/dbraw/zinc/81/03/00/929810300.db2.gz GITYJYCWCQIWHG-MRXNPFEDSA-N 0 1 386.427 3.862 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000469503089 929949022 /nfs/dbraw/zinc/94/90/22/929949022.db2.gz JBJLGRSFTNKVBY-QGZVFWFLSA-N 0 1 395.381 3.955 20 5 GHBDMN COc1cc(Cc2noc(-c3cc(-c4ccc(F)cc4)n[nH]3)n2)ccc1[N+](=O)[O-] ZINC000546476569 930197920 /nfs/dbraw/zinc/19/79/20/930197920.db2.gz ZOXUYRMHHNVJOL-UHFFFAOYSA-N 0 1 395.350 3.773 20 5 GHBDMN O=C(NC[C@H](c1ccco1)N1CCCCC1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470143521 930402780 /nfs/dbraw/zinc/40/27/80/930402780.db2.gz WUDVMEJNCPZXEX-MRXNPFEDSA-N 0 1 376.388 3.676 20 5 GHBDMN CN(C(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000470819449 930939303 /nfs/dbraw/zinc/93/93/03/930939303.db2.gz FOWCBRRWANHPEQ-MRXNPFEDSA-N 0 1 387.867 3.985 20 5 GHBDMN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000470837072 930956906 /nfs/dbraw/zinc/95/69/06/930956906.db2.gz RXMJXQLYDSHOIO-DOTOQJQBSA-N 0 1 383.448 3.559 20 5 GHBDMN Cc1c(NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)cnn1CC(C)C ZINC000783841304 931686923 /nfs/dbraw/zinc/68/69/23/931686923.db2.gz JOUIZUOTOPJLAL-UHFFFAOYSA-N 0 1 386.861 3.518 20 5 GHBDMN C/C(=C/C(=O)NC[C@@H](C)N1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000783895753 931708307 /nfs/dbraw/zinc/70/83/07/931708307.db2.gz KOXQHCQOMPNGDJ-VZVUQDNOSA-N 0 1 379.460 3.561 20 5 GHBDMN COc1cccc([C@H]2C[C@@H](C)CN2Cn2nc(C)c3cc([N+](=O)[O-])cnc32)c1 ZINC000784006503 931751997 /nfs/dbraw/zinc/75/19/97/931751997.db2.gz GTNUROMURQFFRS-BFUOFWGJSA-N 0 1 381.436 3.697 20 5 GHBDMN CCc1ccc([C@H](NC[C@H]2CCN2C2CCOCC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000927105881 932414667 /nfs/dbraw/zinc/41/46/67/932414667.db2.gz VSTDLPRWFWAJRU-DENIHFKCSA-N 0 1 399.491 3.683 20 5 GHBDMN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC000777953862 934369383 /nfs/dbraw/zinc/36/93/83/934369383.db2.gz AWMHPXFPXFZBHD-RHSMWYFYSA-N 0 1 389.402 3.638 20 5 GHBDMN O=C([O-])[C@@H]1CCCN(c2ccc(C[N@H+](Cc3cccc([N+](=O)[O-])c3)C3CC3)o2)C1 ZINC001574652290 962449406 /nfs/dbraw/zinc/44/94/06/962449406.db2.gz WEWCUNNOZSQLRB-MRXNPFEDSA-N 0 1 399.447 3.653 20 5 GHBDMN O=C([O-])[C@@H]1CCCN(c2ccc(C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C3CC3)o2)C1 ZINC001574652290 962449421 /nfs/dbraw/zinc/44/94/21/962449421.db2.gz WEWCUNNOZSQLRB-MRXNPFEDSA-N 0 1 399.447 3.653 20 5 GHBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@@H](C)[C@H](C(=O)[O-])C2)cc1OC ZINC001603511931 973509793 /nfs/dbraw/zinc/50/97/93/973509793.db2.gz AOAIBDKBJCOSAG-SQWLQELKSA-N 0 1 394.468 3.571 20 5 GHBDMN CC[C@@H]1c2ccsc2CC[N@H+]1Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001595505077 981280911 /nfs/dbraw/zinc/28/09/11/981280911.db2.gz WATNCFZHZLLHQU-CQSZACIVSA-N 0 1 376.434 3.629 20 5 GHBDMN CC[C@@H]1c2ccsc2CC[N@@H+]1Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001595505077 981280915 /nfs/dbraw/zinc/28/09/15/981280915.db2.gz WATNCFZHZLLHQU-CQSZACIVSA-N 0 1 376.434 3.629 20 5 GHBDMN CCCCCC[C@](O)(C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)C(=O)[O-] ZINC001595696255 982225761 /nfs/dbraw/zinc/22/57/61/982225761.db2.gz DWONHKZPZVWEQZ-XLIONFOSSA-N 0 1 378.469 3.560 20 5 GHBDMN C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001594542200 986179787 /nfs/dbraw/zinc/17/97/87/986179787.db2.gz GDYSYQJAKBWXGV-JIPZTSHUSA-N 0 1 397.475 3.539 20 5 GHBDMN C[C@@H]([NH2+][C@H](C(=O)[O-])c1ccccc1Br)c1cccc([N+](=O)[O-])c1 ZINC001593194365 994134461 /nfs/dbraw/zinc/13/44/61/994134461.db2.gz FZOGEFPBIMSPEG-BMIGLBTASA-N 0 1 379.210 3.834 20 5 GHBDMN COc1ccc(C[NH2+][C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)cc1[N+](=O)[O-] ZINC001599570991 998365498 /nfs/dbraw/zinc/36/54/98/998365498.db2.gz GMOMROWJVHAXKG-OAHLLOKOSA-N 0 1 385.203 3.826 20 5 GHBDMN COc1cc(C(=O)Nc2cccc3c2OCC[C@@H]3N(C)C)cc([N+](=O)[O-])c1C ZINC000469146296 1016556255 /nfs/dbraw/zinc/55/62/55/1016556255.db2.gz YUGWKLNESADTOU-INIZCTEOSA-N 0 1 385.420 3.549 20 5 GHBDMN Cc1ccc(C(=O)c2cc([O-])c(O[C@H]3CCC[N@@H+](C)CC3)c([N+](=O)[O-])c2)cc1 ZINC001227699029 1032521543 /nfs/dbraw/zinc/52/15/43/1032521543.db2.gz CBHDJWIGDSPNEL-KRWDZBQOSA-N 0 1 384.432 3.703 20 5 GHBDMN Cc1ccc(C(=O)c2cc([O-])c(O[C@H]3CCC[N@H+](C)CC3)c([N+](=O)[O-])c2)cc1 ZINC001227699029 1032521547 /nfs/dbraw/zinc/52/15/47/1032521547.db2.gz CBHDJWIGDSPNEL-KRWDZBQOSA-N 0 1 384.432 3.703 20 5 GHBDMN Cc1ccc(C(=O)c2cc(O)c(OC3CCN(C4CC4)CC3)c([N+](=O)[O-])c2)cc1 ZINC001227701779 1032523044 /nfs/dbraw/zinc/52/30/44/1032523044.db2.gz IUGJNSAUBGPYME-UHFFFAOYSA-N 0 1 396.443 3.845 20 5 GHBDMN COc1ccc2c(c1)CCC[C@H]2N(C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000558062414 1017104206 /nfs/dbraw/zinc/10/42/06/1017104206.db2.gz CWMLXMLBKVSBNR-HXUWFJFHSA-N 0 1 383.448 3.576 20 5 GHBDMN CCCc1[nH]nc(C(=O)N2CC[C@H](Sc3cccc(Cl)c3)C2)c1[N+](=O)[O-] ZINC000561885249 1017967196 /nfs/dbraw/zinc/96/71/96/1017967196.db2.gz RQFWTFYEKYWTDZ-ZDUSSCGKSA-N 0 1 394.884 3.931 20 5 GHBDMN COc1c(C(=O)N[C@@H]2CCc3nc(C4CCCCC4)[nH]c3C2)cccc1[N+](=O)[O-] ZINC001155839010 1032736691 /nfs/dbraw/zinc/73/66/91/1032736691.db2.gz MSRBCKADDBHSQO-CQSZACIVSA-N 0 1 398.463 3.662 20 5 GHBDMN CN(C)[C@@H]1CCOc2c(NC(=O)CCc3cc(F)ccc3[N+](=O)[O-])cccc21 ZINC000935717267 1019037894 /nfs/dbraw/zinc/03/78/94/1019037894.db2.gz HVXFEYCRAVTRMN-GOSISDBHSA-N 0 1 387.411 3.690 20 5 GHBDMN O=c1nc2cc([N+](=O)[O-])ccc2c(O[C@H](c2ccccc2)C2CCOCC2)[nH]1 ZINC001228241467 1032859663 /nfs/dbraw/zinc/85/96/63/1032859663.db2.gz CEYMHSWOQAFIEL-GOSISDBHSA-N 0 1 381.388 3.790 20 5 GHBDMN C[C@H](Oc1nc(C2CC2)[nH]c(=O)c1[N+](=O)[O-])c1ncc(C(F)(F)F)cc1F ZINC001228610004 1033005558 /nfs/dbraw/zinc/00/55/58/1033005558.db2.gz LNLPPYQJOFIFEZ-LURJTMIESA-N 0 1 388.277 3.661 20 5 GHBDMN COC(=O)c1cc(O[C@@H]2CCN(Cc3ccc(Cl)cc3)C2)cc([N+](=O)[O-])c1 ZINC001228772139 1033088567 /nfs/dbraw/zinc/08/85/67/1033088567.db2.gz VEJIVRBWFCNHFI-QGZVFWFLSA-N 0 1 390.823 3.688 20 5 GHBDMN CO[C@@H]1CS(=O)(=O)C[C@@H]1NCc1c2ccccc2c(Cl)c2ccccc21 ZINC001203084126 1023068300 /nfs/dbraw/zinc/06/83/00/1023068300.db2.gz XKYBCGMVLMZMIH-RBUKOAKNSA-N 0 1 389.904 3.548 20 5 GHBDMN Cc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)cc1Cl ZINC000836782506 1023363125 /nfs/dbraw/zinc/36/31/25/1023363125.db2.gz WJWQIHHOHWAMHT-GFCCVEGCSA-N 0 1 389.843 3.572 20 5 GHBDMN Cc1nn(CN2CCC[C@@H]2Cn2cnc3ccccc32)c2ccc([N+](=O)[O-])cc12 ZINC000755788444 1023378808 /nfs/dbraw/zinc/37/88/08/1023378808.db2.gz FLXXNBQSSLLLFX-QGZVFWFLSA-N 0 1 390.447 3.725 20 5 GHBDMN O=[N+]([O-])c1c(O)cc(C(F)(F)F)nc1O[C@H]1C[C@@H](OCc2ccccc2)C1 ZINC001228859079 1033141007 /nfs/dbraw/zinc/14/10/07/1033141007.db2.gz IKYSEGABIZUCAL-TXEJJXNPSA-N 0 1 384.310 3.841 20 5 GHBDMN O=C(Cc1ccc(F)cc1[N+](=O)[O-])Nc1ccc2oc(CN3CCCC3)nc2c1 ZINC001141466775 1025140464 /nfs/dbraw/zinc/14/04/64/1025140464.db2.gz DERNKHZPGMQTLA-UHFFFAOYSA-N 0 1 398.394 3.652 20 5 GHBDMN Nc1nc(NC2CCN(Cc3ccccc3C(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC001162032353 1025550911 /nfs/dbraw/zinc/55/09/11/1025550911.db2.gz INJMARRZWPYPQY-UHFFFAOYSA-N 0 1 395.385 3.667 20 5 GHBDMN Nc1cc([N+](=O)[O-])cnc1NC1CCN(Cc2ccccc2C(F)(F)F)CC1 ZINC001162033213 1025552825 /nfs/dbraw/zinc/55/28/25/1025552825.db2.gz MJPYXILQLKNLQA-UHFFFAOYSA-N 0 1 395.385 3.667 20 5 GHBDMN CCOC(=O)c1cc([N+](=O)[O-])c(NCCN2CCc3ccccc3C2)cc1C ZINC001162098328 1025604549 /nfs/dbraw/zinc/60/45/49/1025604549.db2.gz ANCVRBXTAQKMMC-UHFFFAOYSA-N 0 1 383.448 3.550 20 5 GHBDMN Cc1c(Br)c(N[C@H](C)CN2C[C@H](C)C[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC001162243635 1025688930 /nfs/dbraw/zinc/68/89/30/1025688930.db2.gz COIMPDPZSNKAGZ-IJLUTSLNSA-N 0 1 385.306 3.839 20 5 GHBDMN O=[N+]([O-])c1ccc(N2CC3(CN(Cc4ccccc4)C3)C2)nc1-c1ccccc1 ZINC001165125600 1026619851 /nfs/dbraw/zinc/61/98/51/1026619851.db2.gz ZVQXYZHWJOJHGM-UHFFFAOYSA-N 0 1 386.455 3.979 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N2CCc3oc(-c4ccccc4)cc3C2)c1[N+](=O)[O-] ZINC001165478534 1026740894 /nfs/dbraw/zinc/74/08/94/1026740894.db2.gz BDHXYXRLUVZHFG-UHFFFAOYSA-N 0 1 380.404 3.900 20 5 GHBDMN CN1Cc2ccccc2[C@@H]1CNCc1c(Br)cccc1[N+](=O)[O-] ZINC001203409507 1027321055 /nfs/dbraw/zinc/32/10/55/1027321055.db2.gz ZOSPZZFGJCHCCV-KRWDZBQOSA-N 0 1 376.254 3.634 20 5 GHBDMN Nc1ccc2cc3ccc(Nc4ccc(CN5CCOCC5)nc4)cc3nc2c1 ZINC001203477094 1027366235 /nfs/dbraw/zinc/36/62/35/1027366235.db2.gz INIWLDBTQAWBJU-UHFFFAOYSA-N 0 1 385.471 3.941 20 5 GHBDMN CC(C)(C)OC(=O)[C@@H]1CCC[C@@H]1NCc1c(Br)cccc1[N+](=O)[O-] ZINC001203960440 1027757331 /nfs/dbraw/zinc/75/73/31/1027757331.db2.gz CDQNQEFCNIHCLZ-RISCZKNCSA-N 0 1 399.285 3.957 20 5 GHBDMN O=C(NCc1cc(Cl)cc(Br)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC001142320076 1028685525 /nfs/dbraw/zinc/68/55/25/1028685525.db2.gz KQJVJFXBNYYLOD-UHFFFAOYSA-N 0 1 385.601 3.646 20 5 GHBDMN O=C(CSc1nc(C=Cc2ccccc2)n[nH]1)Nc1cc([N+](=O)[O-])ccc1F ZINC000842131080 1029085413 /nfs/dbraw/zinc/08/54/13/1029085413.db2.gz QLRNEAXIOFVKQC-TWGQIWQCSA-N 0 1 399.407 3.753 20 5 GHBDMN CN1CCN(c2cccc(-c3noc(-c4ccc([N+](=O)[O-])cc4Cl)n3)c2)CC1 ZINC001215685742 1029347501 /nfs/dbraw/zinc/34/75/01/1029347501.db2.gz KGCVGFIRDGRZLI-UHFFFAOYSA-N 0 1 399.838 3.717 20 5 GHBDMN O=[N+]([O-])c1cc(O)ccc1-c1nc(-c2ncccc2OCc2ccccc2)no1 ZINC001216894826 1029985015 /nfs/dbraw/zinc/98/50/15/1029985015.db2.gz XDZAUNOPFWEXEG-UHFFFAOYSA-N 0 1 390.355 3.991 20 5 GHBDMN CCN(CC)Cc1ccc(C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000843509211 1030056336 /nfs/dbraw/zinc/05/63/36/1030056336.db2.gz ZHZYQOACDNDTPC-UHFFFAOYSA-N 0 1 379.844 3.955 20 5 GHBDMN CN1CCN(c2cc(-c3nc(-c4ccc(Cl)cc4)no3)cc([N+](=O)[O-])c2)CC1 ZINC001217020190 1030097694 /nfs/dbraw/zinc/09/76/94/1030097694.db2.gz LJXWGZYEAJQCAR-UHFFFAOYSA-N 0 1 399.838 3.717 20 5 GHBDMN Cc1ccc(-c2nc(-c3ccccc3N3CCN(C)CC3)no2)c([N+](=O)[O-])c1C ZINC001217104952 1030169644 /nfs/dbraw/zinc/16/96/44/1030169644.db2.gz PPYSVFFKXIWXNY-UHFFFAOYSA-N 0 1 393.447 3.680 20 5 GHBDMN C[C@H](c1ccccn1)N1CCC[C@@H](OCc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC001223488524 1030601141 /nfs/dbraw/zinc/60/11/41/1030601141.db2.gz AOTQFCFBEUMENC-RDTXWAMCSA-N 0 1 386.408 3.640 20 5 GHBDMN CCc1ccc(C(=O)N2CCc3nc[nH]c3[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC001151236927 1030817878 /nfs/dbraw/zinc/81/78/78/1030817878.db2.gz PBSCAGBDBJQTSW-FQEVSTJZSA-N 0 1 376.416 3.668 20 5 GHBDMN C[C@@H](c1ccccn1)N1CCC[C@@H](OCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001224102130 1030884556 /nfs/dbraw/zinc/88/45/56/1030884556.db2.gz WPFCUKPEUOLQMW-WMLDXEAASA-N 0 1 386.408 3.640 20 5 GHBDMN CC(C)(C)OC(=O)N1CC[C@]2(CCC[C@H]2Oc2cc(O)ccc2[N+](=O)[O-])C1 ZINC001225488751 1031436867 /nfs/dbraw/zinc/43/68/67/1031436867.db2.gz LCAKVRLAIVCQER-VQIMIIECSA-N 0 1 378.425 3.859 20 5 GHBDMN COc1cc(F)cc(-c2noc(-c3cc(-c4ccc([N+](=O)[O-])cc4)n[nH]3)n2)c1 ZINC001213008325 1033574938 /nfs/dbraw/zinc/57/49/38/1033574938.db2.gz FROQVHZKDVBTOT-UHFFFAOYSA-N 0 1 381.323 3.850 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2cc(-c3nc(-c4ccc(-n5ccnc5)cc4)no3)[nH]n2)cc1 ZINC001213008415 1033578156 /nfs/dbraw/zinc/57/81/56/1033578156.db2.gz JWHOKDHPCXOUDJ-UHFFFAOYSA-N 0 1 399.370 3.888 20 5 GHBDMN CC(=O)c1ccccc1-c1noc(-c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)n1 ZINC001213008444 1033579674 /nfs/dbraw/zinc/57/96/74/1033579674.db2.gz LHTFAKAZNQDUTE-UHFFFAOYSA-N 0 1 375.344 3.905 20 5 GHBDMN COC(=O)c1ccc(C)c([N+](=O)[O-])c1O[C@H]1CCCN(Cc2ccccc2)C1 ZINC001229903003 1033783750 /nfs/dbraw/zinc/78/37/50/1033783750.db2.gz KDCPWWMKGAIUFF-KRWDZBQOSA-N 0 1 384.432 3.733 20 5 GHBDMN CC(C)(C)OC(=O)N1CCC[C@H](Oc2cc3[nH]ncc3cc2[N+](=O)[O-])CC1 ZINC001230596924 1034139986 /nfs/dbraw/zinc/13/99/86/1034139986.db2.gz XDMOGMRABSQELT-ZDUSSCGKSA-N 0 1 376.413 3.640 20 5 GHBDMN N[C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC001160692898 1035037687 /nfs/dbraw/zinc/03/76/87/1035037687.db2.gz HINATROZNPFLPV-XXBNENTESA-N 0 1 398.510 3.992 20 5 GHBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)[C@H]1CCC[C@H]1Cc1ccccc1 ZINC001160727373 1035045105 /nfs/dbraw/zinc/04/51/05/1035045105.db2.gz NCWBCHQDWUXWSP-YJBOKZPZSA-N 0 1 391.431 3.977 20 5 GHBDMN Cc1cc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)ccc1N1CCN(C)CC1 ZINC001248674585 1036044278 /nfs/dbraw/zinc/04/42/78/1036044278.db2.gz DVGZEUYWUUDDLW-UHFFFAOYSA-N 0 1 394.431 3.654 20 5 GHBDMN O=[N+]([O-])c1ccc(CCc2nc(-c3ncccc3/C=C/N3CCCC3)no2)cc1 ZINC001247607363 1038273905 /nfs/dbraw/zinc/27/39/05/1038273905.db2.gz UOVDETPHCWXLCD-RVDMUPIBSA-N 0 1 391.431 3.892 20 5 GHBDMN CC(C)[C@H](CNCc1ccc([N+](=O)[O-])cc1Cl)ONC(=O)OC(C)(C)C ZINC001462359675 1070198669 /nfs/dbraw/zinc/19/86/69/1070198669.db2.gz QFHNFXQKVGSGQF-HNNXBMFYSA-N 0 1 387.864 3.819 20 5 GHBDMN COc1cc(CC[N+](=O)[O-])ccc1O[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 ZINC001233984171 1039742485 /nfs/dbraw/zinc/74/24/85/1039742485.db2.gz FCKHZLUWSYVOPA-GOSISDBHSA-N 0 1 390.867 3.821 20 5 GHBDMN COc1ccc(C(=O)C2CCN([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)cc1 ZINC001254602443 1040372341 /nfs/dbraw/zinc/37/23/41/1040372341.db2.gz FXXPLOJIVKFHAG-HXUWFJFHSA-N 0 1 380.444 3.666 20 5 GHBDMN O=C(Nc1ccc(-n2cccn2)c(F)c1)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001291714063 1043413819 /nfs/dbraw/zinc/41/38/19/1043413819.db2.gz YSZNOFZEDFKWCN-UHFFFAOYSA-N 0 1 392.350 3.562 20 5 GHBDMN C[C@@H]1CN(CCc2nnc(-c3cc4c(cccc4[N+](=O)[O-])s3)o2)C[C@@H](C)O1 ZINC001258037445 1044364655 /nfs/dbraw/zinc/36/46/55/1044364655.db2.gz XKWZNTVUZQAXHL-VXGBXAGGSA-N 0 1 388.449 3.511 20 5 GHBDMN COc1ccc2nc([C@H](C)NC(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)[nH]c2c1 ZINC001296768663 1045369386 /nfs/dbraw/zinc/36/93/86/1045369386.db2.gz RJMZQCAYUMXKSM-NSHDSACASA-N 0 1 395.419 3.545 20 5 GHBDMN O=[N+]([O-])c1ccc([C@H](O)CNCc2cc(Cl)ccc2Br)cc1 ZINC001262557667 1046268932 /nfs/dbraw/zinc/26/89/32/1046268932.db2.gz IPRMKFQWFYIXCD-OAHLLOKOSA-N 0 1 385.645 3.834 20 5 GHBDMN COc1cc(C(=O)N2CCC[C@H](c3cc(C(C)C)[nH]n3)C2)c([N+](=O)[O-])cc1F ZINC001303319495 1047358486 /nfs/dbraw/zinc/35/84/86/1047358486.db2.gz HCUWLRFYKCFGNJ-LBPRGKRZSA-N 0 1 390.415 3.609 20 5 GHBDMN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1CC[C@@H](c2c(F)cccc2F)C1 ZINC001303458047 1047395755 /nfs/dbraw/zinc/39/57/55/1047395755.db2.gz YFCJJVQJAAKURC-CYBMUJFWSA-N 0 1 398.369 3.893 20 5 GHBDMN CC(C)c1ncc(CNC(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)[nH]1 ZINC001304104930 1047587624 /nfs/dbraw/zinc/58/76/24/1047587624.db2.gz NFGNXJDKWHZLQG-GASCZTMLSA-N 0 1 399.495 3.854 20 5 GHBDMN O=[N+]([O-])c1cccc2c1ccnc2NCCN1CCN(c2ccc(F)cc2)CC1 ZINC001306928453 1048963925 /nfs/dbraw/zinc/96/39/25/1048963925.db2.gz TXEKTGXPTVCSDU-UHFFFAOYSA-N 0 1 395.438 3.516 20 5 GHBDMN O=[N+]([O-])c1cnc2ccc(Cl)cc2c1NCCN1CCc2sccc2C1 ZINC001306942417 1048971430 /nfs/dbraw/zinc/97/14/30/1048971430.db2.gz ARNORDVSYZUVGY-UHFFFAOYSA-N 0 1 388.880 3.750 20 5 GHBDMN O=[N+]([O-])c1cnc2ccc(Cl)cc2c1NCc1nc(-c2ccc(F)cc2)n[nH]1 ZINC001306962943 1048982343 /nfs/dbraw/zinc/98/23/43/1048982343.db2.gz YXSLLSRWBLLDSW-UHFFFAOYSA-N 0 1 398.785 3.755 20 5 GHBDMN O=[N+]([O-])c1cnc2ccc(Cl)cc2c1NCc1n[nH]c(-c2ccc(F)cc2)n1 ZINC001306962943 1048982349 /nfs/dbraw/zinc/98/23/49/1048982349.db2.gz YXSLLSRWBLLDSW-UHFFFAOYSA-N 0 1 398.785 3.755 20 5 GHBDMN C[N@@H+](Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000902006122 1049246821 /nfs/dbraw/zinc/24/68/21/1049246821.db2.gz VHLLZWKKHWWANW-NRFANRHFSA-N 0 1 397.475 3.713 20 5 GHBDMN CCOC(=O)c1cccc2nc(NC(=O)c3c(Cl)cccc3[N+](=O)[O-])[nH]c21 ZINC001289643255 1049573412 /nfs/dbraw/zinc/57/34/12/1049573412.db2.gz ARMIIXLMUOPFFY-UHFFFAOYSA-N 0 1 388.767 3.554 20 5 GHBDMN CC(C)c1cc([C@@H]2CCCN([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)[nH]n1 ZINC001308053972 1049803019 /nfs/dbraw/zinc/80/30/19/1049803019.db2.gz BLLGDUDWBHLFLZ-HUUCEWRRSA-N 0 1 385.468 3.648 20 5 GHBDMN C[C@@H](NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)[C@H](O)C(F)(F)F ZINC001308488644 1049988152 /nfs/dbraw/zinc/98/81/52/1049988152.db2.gz PIFUKNHIVCEKQZ-HWPZZCPQSA-N 0 1 388.317 3.928 20 5 GHBDMN CCS(=O)(=O)C1(CNCc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CC1 ZINC001328083272 1050388191 /nfs/dbraw/zinc/38/81/91/1050388191.db2.gz BWWNFPCSNQVQDZ-UHFFFAOYSA-N 0 1 398.868 3.565 20 5 GHBDMN Cc1cc([C@H]2CCCCN2S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2C)n[nH]1 ZINC001309895920 1051031199 /nfs/dbraw/zinc/03/11/99/1051031199.db2.gz LXSLYCNEFFBPKI-CQSZACIVSA-N 0 1 398.872 3.504 20 5 GHBDMN CN(C(=O)Nc1ccc(F)c([N+](=O)[O-])c1)C1CCN(CCC(F)(F)F)CC1 ZINC001331749126 1051366252 /nfs/dbraw/zinc/36/62/52/1051366252.db2.gz LNLCGQCWUXOFRF-UHFFFAOYSA-N 0 1 392.353 3.614 20 5 GHBDMN COc1ccc(C[C@H](C)N(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC001334278057 1051926764 /nfs/dbraw/zinc/92/67/64/1051926764.db2.gz DORITOURCLDZHS-ZDUSSCGKSA-N 0 1 391.855 3.758 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N2CC(Cc3c(F)cccc3Cl)C2)c1[N+](=O)[O-] ZINC001319889929 1055525098 /nfs/dbraw/zinc/52/50/98/1055525098.db2.gz LTWDSKGKWBDIMZ-UHFFFAOYSA-N 0 1 380.807 3.549 20 5 GHBDMN CC[C@H](N[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1ccc(F)cc1 ZINC001320152766 1055677948 /nfs/dbraw/zinc/67/79/48/1055677948.db2.gz GDKBGKOJZJFILX-WBMJQRKESA-N 0 1 375.400 3.810 20 5 GHBDMN Cc1cc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)ccc1N1CCN(C)CC1 ZINC001321952233 1056456203 /nfs/dbraw/zinc/45/62/03/1056456203.db2.gz TUUFIPMFHLRXNC-UHFFFAOYSA-N 0 1 388.855 3.561 20 5 GHBDMN CC(=O)N1CCCN(Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CC1 ZINC001323282351 1056948240 /nfs/dbraw/zinc/94/82/40/1056948240.db2.gz OGEDGVKOLBNBAM-UHFFFAOYSA-N 0 1 377.828 3.562 20 5 GHBDMN O=C(Nc1nnc(C(F)F)s1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001355883978 1057304714 /nfs/dbraw/zinc/30/47/14/1057304714.db2.gz WTLXMCZXBXSAQC-UHFFFAOYSA-N 0 1 377.332 3.698 20 5 GHBDMN CN1CCN(c2ccc([N+](=O)[O-])c(NC(=O)c3sccc3C(F)F)c2)CC1 ZINC001339183789 1058997244 /nfs/dbraw/zinc/99/72/44/1058997244.db2.gz GYNPKVOKVKMTPG-UHFFFAOYSA-N 0 1 396.419 3.598 20 5 GHBDMN Cc1ccc(-c2cc(C(=O)Nc3n[nH]c4ccc([N+](=O)[O-])cc43)[nH]n2)cc1C ZINC001447290154 1059944754 /nfs/dbraw/zinc/94/47/54/1059944754.db2.gz UWXPVAKLSMSGSX-UHFFFAOYSA-N 0 1 376.376 3.730 20 5 GHBDMN C[NH+](C)Cc1ccc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1Cl ZINC001448738798 1060258588 /nfs/dbraw/zinc/25/85/88/1060258588.db2.gz QVBGHXASOCBYED-UHFFFAOYSA-N 0 1 384.219 3.921 20 5 GHBDMN CCN1[C@H](C)CN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C[C@@H]1C ZINC001452584850 1060966812 /nfs/dbraw/zinc/96/68/12/1060966812.db2.gz XBCQNEYVURHFTA-IYBDPMFKSA-N 0 1 382.464 3.893 20 5 GHBDMN CCOc1ccc(C(=O)Nc2ccc(Nc3ccncc3)cc2)cc1[N+](=O)[O-] ZINC001452741875 1060999262 /nfs/dbraw/zinc/99/92/62/1060999262.db2.gz YAGRJRNNRNNDOW-UHFFFAOYSA-N 0 1 378.388 3.806 20 5 GHBDMN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1cccc(CN2CCSCC2)c1 ZINC001434920806 1062112939 /nfs/dbraw/zinc/11/29/39/1062112939.db2.gz FMTPUCSPNOFSSJ-UHFFFAOYSA-N 0 1 389.452 3.843 20 5 GHBDMN C[C@@H]1CN(CCCNc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C[C@@H](C)O1 ZINC001458087940 1063556983 /nfs/dbraw/zinc/55/69/83/1063556983.db2.gz YYAKENDFSCCHRJ-HUUCEWRRSA-N 0 1 388.443 3.707 20 5 GHBDMN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2cc(Cl)c(F)cc2[nH]1 ZINC001437915093 1063950253 /nfs/dbraw/zinc/95/02/53/1063950253.db2.gz JYRAECBMQFWSGQ-UHFFFAOYSA-N 0 1 377.763 3.582 20 5 GHBDMN COc1ccc2c(c1)CCN(Cc1ccc([N+](=O)[O-])cc1Br)CC2 ZINC001459879972 1064254720 /nfs/dbraw/zinc/25/47/20/1064254720.db2.gz BVPVQRGNZYJRRF-UHFFFAOYSA-N 0 1 391.265 3.967 20 5 GHBDMN COc1ccc(OCCN2CCC[C@H]2Cc2cc(F)ccc2F)c([N+](=O)[O-])c1 ZINC001460301011 1068913993 /nfs/dbraw/zinc/91/39/93/1068913993.db2.gz MTIRFKKXEDTSTA-INIZCTEOSA-N 0 1 392.402 3.968 20 5 GHBDMN C[C@H](NC[C@@H](O)COc1cc(Cl)cc(Cl)c1)c1ccccc1[N+](=O)[O-] ZINC001460723691 1069125805 /nfs/dbraw/zinc/12/58/05/1069125805.db2.gz GOFAVKWJINHIPG-SMDDNHRTSA-N 0 1 385.247 3.992 20 5 GHBDMN Cc1cccc(CN2CC[C@@H](NC(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC001470711435 1072697949 /nfs/dbraw/zinc/69/79/49/1072697949.db2.gz NBNJPBVOXDNXFO-SJLPKXTDSA-N 0 1 399.516 3.775 20 5 GHBDMN O=C(Nc1cc(F)cc(Cl)c1O)c1cc([N+](=O)[O-])ncc1Br ZINC001472549816 1073546610 /nfs/dbraw/zinc/54/66/10/1073546610.db2.gz HJHDBPRJYAUSBL-UHFFFAOYSA-N 0 1 390.552 3.503 20 5 GHBDMN CC1(C)CN(C2(CNc3nc4sccn4c3[N+](=O)[O-])CCCCC2)CCO1 ZINC001472691730 1073622141 /nfs/dbraw/zinc/62/21/41/1073622141.db2.gz WFKZNYYDAHMSIO-UHFFFAOYSA-N 0 1 393.513 3.530 20 5 GHBDMN CCn1c(=O)c2cc3ccccc3cc2nc1SC[C@@H](C)CN1CCOCC1 ZINC001472953965 1073734136 /nfs/dbraw/zinc/73/41/36/1073734136.db2.gz XEEIKSUDVXVJRN-INIZCTEOSA-N 0 1 397.544 3.630 20 5 GHBDMN CCN(Cc1cc(OC)c(F)cc1[N+](=O)[O-])[C@H](COC)Cc1ccccc1 ZINC001473214175 1073864397 /nfs/dbraw/zinc/86/43/97/1073864397.db2.gz VKNNDYPVNCDPKO-KRWDZBQOSA-N 0 1 376.428 3.822 20 5 GHBDMN COc1ccc(NC(=O)[C@H](C)N[C@H](C)COCC2CCCCC2)c([N+](=O)[O-])c1 ZINC001473815610 1074157511 /nfs/dbraw/zinc/15/75/11/1074157511.db2.gz JUQWMUKBKHKEBN-CABCVRRESA-N 0 1 393.484 3.505 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@]1(C)Cc1cccs1 ZINC001473849034 1074174566 /nfs/dbraw/zinc/17/45/66/1074174566.db2.gz YTUIDBRZHSZHRU-LJQANCHMSA-N 0 1 389.477 3.701 20 5 GHBDMN COc1ccc(CN[C@H](Cn2ccnc2)c2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC001474082109 1074257668 /nfs/dbraw/zinc/25/76/68/1074257668.db2.gz KMTJGEKBRXRAIM-LJQANCHMSA-N 0 1 380.448 3.948 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NC[C@H]1CCCC12CC2 ZINC001475555004 1074912962 /nfs/dbraw/zinc/91/29/62/1074912962.db2.gz ITVNYYMFHNJIGK-SECBINFHSA-N 0 1 379.265 3.760 20 5 GHBDMN O=C([O-])/C=C/c1ccc(NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000739622406 599960276 /nfs/dbraw/zinc/96/02/76/599960276.db2.gz BAOKIIOUMDFVHT-QRBZPYHOSA-N 0 1 395.459 3.669 20 5 GHBDMN CCC[N@@H+](CC)Cc1ccc(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000737017812 600192228 /nfs/dbraw/zinc/19/22/28/600192228.db2.gz DWGVFJILDSVYKT-UHFFFAOYSA-N 0 1 385.420 3.777 20 5 GHBDMN CC(C)N(C)Cc1cnc2n1CCN(c1ccc3cccc([N+](=O)[O-])c3n1)[C@@H]2C ZINC001164862541 720954805 /nfs/dbraw/zinc/95/48/05/720954805.db2.gz VZOLVKRUOUIPLK-OAHLLOKOSA-N 0 1 394.479 3.761 20 5 GHBDMN Clc1ccc2ccc3ccc(N4C[C@H]5CN(CC6CC6)C[C@@H](C4)O5)nc3c2n1 ZINC001164966839 722072585 /nfs/dbraw/zinc/07/25/85/722072585.db2.gz FRJOSDQWMUMUSR-HDICACEKSA-N 0 1 394.906 3.736 20 5 GHBDMN CC[C@@H](N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccc2c(c1)OCCO2 ZINC000180637126 837402940 /nfs/dbraw/zinc/40/29/40/837402940.db2.gz ZBLYSPPCGAKCEQ-GDBMZVCRSA-N 0 1 399.447 3.742 20 5 GHBDMN CCOc1cccc([C@H](C)N[C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c1 ZINC000180705194 837485386 /nfs/dbraw/zinc/48/53/86/837485386.db2.gz OBIPVIMMHYGXMR-UONOGXRCSA-N 0 1 387.436 3.680 20 5 GHBDMN Cc1nc2c(n1[C@H]1CCN(c3cc(C(F)(F)F)ncc3[N+](=O)[O-])C1)CCCC2 ZINC000278384337 834906426 /nfs/dbraw/zinc/90/64/26/834906426.db2.gz LVXYTPPLTMZCFI-LBPRGKRZSA-N 0 1 395.385 3.844 20 5 GHBDMN O=C(NCCc1ccc([N+](=O)[O-])cc1)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000181090634 837824937 /nfs/dbraw/zinc/82/49/37/837824937.db2.gz YGGBJUGSHPAXQX-UHFFFAOYSA-N 0 1 375.335 3.773 20 5 GHBDMN COc1ccc(CNC(=O)C2CCN([C@@H](C)c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000472349171 835318146 /nfs/dbraw/zinc/31/81/46/835318146.db2.gz LFFQGKIJYLJTRZ-INIZCTEOSA-N 0 1 397.475 3.693 20 5 GHBDMN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179332760 835531418 /nfs/dbraw/zinc/53/14/18/835531418.db2.gz ZUDSQHMLMABNNS-LBPRGKRZSA-N 0 1 397.460 3.825 20 5 GHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H]2CCCc3ccc(Cl)cc32)cc1 ZINC000584080935 835563002 /nfs/dbraw/zinc/56/30/02/835563002.db2.gz APEDKRRHYDGPLG-SFHVURJKSA-N 0 1 394.880 3.689 20 5 GHBDMN COc1ccc(CNC(=O)C2CCN([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000472363427 835565544 /nfs/dbraw/zinc/56/55/44/835565544.db2.gz YLOPJUGETRQLQN-MRXNPFEDSA-N 0 1 397.475 3.693 20 5 GHBDMN CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000573159714 835805558 /nfs/dbraw/zinc/80/55/58/835805558.db2.gz FZRJCXWFQKSLAZ-OAHLLOKOSA-N 0 1 397.401 3.825 20 5 GHBDMN O=[N+]([O-])c1ccccc1CCNCc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000547738914 835910563 /nfs/dbraw/zinc/91/05/63/835910563.db2.gz JEPBNJIAHPHFML-UHFFFAOYSA-N 0 1 392.246 3.815 20 5 GHBDMN CC(C)Oc1cccc([C@H](C)NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1 ZINC000179672313 835932602 /nfs/dbraw/zinc/93/26/02/835932602.db2.gz FYJOKHHECNPOMJ-HNNXBMFYSA-N 0 1 383.448 3.622 20 5 GHBDMN CC(=O)N1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000179809679 836006937 /nfs/dbraw/zinc/00/69/37/836006937.db2.gz CJNQGZVJZYWWOG-UHFFFAOYSA-N 0 1 377.828 3.562 20 5 GHBDMN COc1ccc(C[C@H](C)CN(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000535629076 836059727 /nfs/dbraw/zinc/05/97/27/836059727.db2.gz RRRYTBMMXWXNHR-HNNXBMFYSA-N 0 1 385.464 3.661 20 5 GHBDMN CCOc1cc(N2CCN(C[C@H]3CCC4(CCCC4)O3)CC2)ccc1[N+](=O)[O-] ZINC000548936703 836313366 /nfs/dbraw/zinc/31/33/66/836313366.db2.gz ZNTKPYZNIIQMFT-GOSISDBHSA-N 0 1 389.496 3.607 20 5 GHBDMN CCS(=O)(=O)c1cc(Cl)cc(CN[C@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000582615718 836506539 /nfs/dbraw/zinc/50/65/39/836506539.db2.gz CPABKYWBJYGLMK-KRWDZBQOSA-N 0 1 394.880 3.819 20 5 GHBDMN Cc1ccc([C@@H](C)NC(=O)NC[C@H](c2cccc(F)c2)N(C)C)cc1[N+](=O)[O-] ZINC000175570683 836711563 /nfs/dbraw/zinc/71/15/63/836711563.db2.gz GLDCWHYSFCDWIO-AUUYWEPGSA-N 0 1 388.443 3.705 20 5 GHBDMN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000180027790 836755206 /nfs/dbraw/zinc/75/52/06/836755206.db2.gz LZQKYTQQSWJJPU-OAHLLOKOSA-N 0 1 383.452 3.535 20 5 GHBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCCC[C@@H]2[C@H](C)O)cc1OC ZINC000580366484 837340534 /nfs/dbraw/zinc/34/05/34/837340534.db2.gz DXQMTOSKZFYHJC-YQQAZPJKSA-N 0 1 380.485 3.764 20 5 GHBDMN C[C@H](c1ccncc1)N1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000155441546 837838305 /nfs/dbraw/zinc/83/83/05/837838305.db2.gz LMFMBFBJYZRLCV-CYBMUJFWSA-N 0 1 388.855 3.599 20 5 GHBDMN COCC[C@@H](C)N[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000101583152 837964654 /nfs/dbraw/zinc/96/46/54/837964654.db2.gz MYZMKQUVFISSTH-ACJLOTCBSA-N 0 1 391.855 3.943 20 5 GHBDMN COc1ccc(NC(=O)[C@@H](C)N[C@H](C)c2ccc(C)c(F)c2)c([N+](=O)[O-])c1 ZINC000181359537 837999389 /nfs/dbraw/zinc/99/93/89/837999389.db2.gz VMDFADQGNFDTQK-CHWSQXEVSA-N 0 1 375.400 3.729 20 5 GHBDMN CCOc1ccc([C@H](C)N[C@H]2CCN(Cc3ccc(C)cc3)C2=O)cc1[N+](=O)[O-] ZINC000189089796 838068847 /nfs/dbraw/zinc/06/88/47/838068847.db2.gz DZTXKNCWUHMDHO-LPHOPBHVSA-N 0 1 397.475 3.754 20 5 GHBDMN CC(C)N1C[C@H](NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)[C@@H](C)C1 ZINC000275628276 838080139 /nfs/dbraw/zinc/08/01/39/838080139.db2.gz JFJHUUHWNVIUCU-BUXKBTBVSA-N 0 1 399.441 3.830 20 5 GHBDMN COc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2F)c([N+](=O)[O-])c1 ZINC000102748354 838213488 /nfs/dbraw/zinc/21/34/88/838213488.db2.gz CPIMFLYUHNKDCP-UHFFFAOYSA-N 0 1 394.302 3.562 20 5 GHBDMN O=C(NCCc1ccccc1[N+](=O)[O-])Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000548054431 838749944 /nfs/dbraw/zinc/74/99/44/838749944.db2.gz SYBPPLSVQSLFJU-UHFFFAOYSA-N 0 1 375.335 3.773 20 5 GHBDMN CCN1CCC(NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])(C(F)(F)F)CC1 ZINC000891213512 838861584 /nfs/dbraw/zinc/86/15/84/838861584.db2.gz ODGNRVQXKSGQMY-UHFFFAOYSA-N 0 1 393.793 3.703 20 5 GHBDMN C[C@@H](N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(-n2cccn2)c(F)c1 ZINC000549829474 844397526 /nfs/dbraw/zinc/39/75/26/844397526.db2.gz LCHNXZIFMXNGJQ-KGLIPLIRSA-N 0 1 397.410 3.597 20 5 GHBDMN CCOc1ccc([C@H](C)NCC(=O)Nc2ccccc2[N+](=O)[O-])cc1OCC ZINC000120296629 840219389 /nfs/dbraw/zinc/21/93/89/840219389.db2.gz APQAIPRFOZSEME-AWEZNQCLSA-N 0 1 387.436 3.682 20 5 GHBDMN CC(=O)c1ccc(O)c(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c1 ZINC000512558455 844519281 /nfs/dbraw/zinc/51/92/81/844519281.db2.gz DQNCFJIHMFBDBT-UHFFFAOYSA-N 0 1 397.431 3.992 20 5 GHBDMN O=[N+]([O-])c1ccc2c(c1)[C@H](NCCS(=O)(=O)c1ccc(F)cc1)CCCC2 ZINC000417310668 840707310 /nfs/dbraw/zinc/70/73/10/840707310.db2.gz MKRSNUMHOQXSFZ-LJQANCHMSA-N 0 1 392.452 3.565 20 5 GHBDMN CCN1CCN(c2ccccc2NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000047379040 840773825 /nfs/dbraw/zinc/77/38/25/840773825.db2.gz KNKADNQPCUSMMZ-INIZCTEOSA-N 0 1 397.479 3.619 20 5 GHBDMN CCCCc1nc(C(=O)OCC)c(NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)[nH]1 ZINC000573544945 844589927 /nfs/dbraw/zinc/58/99/27/844589927.db2.gz UNLFVTMWHZDJDN-GFCCVEGCSA-N 0 1 388.424 3.579 20 5 GHBDMN CC[C@@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1OCC(=O)N(C)C ZINC000165700751 841360367 /nfs/dbraw/zinc/36/03/67/841360367.db2.gz ZSJUKQSUQFNBHW-DNVCBOLYSA-N 0 1 385.464 3.864 20 5 GHBDMN CCC[C@@H](C)NC(=O)[C@H]1CCCN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)C1 ZINC000302153437 861221438 /nfs/dbraw/zinc/22/14/38/861221438.db2.gz IFRVYXLIMZMLOO-ZBFHGGJFSA-N 0 1 384.480 3.973 20 5 GHBDMN C[C@H](OC[C@@H](O)CN(C)Cc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000046836077 841880079 /nfs/dbraw/zinc/88/00/79/841880079.db2.gz PEYBCYNZSHCAAE-KSSFIOAISA-N 0 1 378.856 3.819 20 5 GHBDMN CCN1C[C@@H](C)N(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C[C@@H]1C ZINC001266797194 842005884 /nfs/dbraw/zinc/00/58/84/842005884.db2.gz IEGFCTDQAVEOQH-JKSUJKDBSA-N 0 1 382.464 3.893 20 5 GHBDMN CC[C@@H](CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCc2ccccc2C1 ZINC000512023183 842173611 /nfs/dbraw/zinc/17/36/11/842173611.db2.gz IJZPTOLQNKBLNV-SFHVURJKSA-N 0 1 392.459 3.643 20 5 GHBDMN O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3cc(-c4ccc(Cl)cc4)no3)C2)nc1 ZINC000112655627 842358378 /nfs/dbraw/zinc/35/83/78/842358378.db2.gz VAJXCSZZTMCDGK-OAHLLOKOSA-N 0 1 399.838 3.985 20 5 GHBDMN COC(=O)c1cnc(C2CCN([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)s1 ZINC000599554429 861328801 /nfs/dbraw/zinc/32/88/01/861328801.db2.gz DLILTRRIGMQVMR-LBPRGKRZSA-N 0 1 375.450 3.779 20 5 GHBDMN Cn1ccnc1C[C@H]1CCCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000182091116 842726976 /nfs/dbraw/zinc/72/69/76/842726976.db2.gz SMHQEGGOVOQCQJ-OAHLLOKOSA-N 0 1 397.504 3.907 20 5 GHBDMN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1nnc(Cc2ccc(C)cc2)s1 ZINC000548426480 843411646 /nfs/dbraw/zinc/41/16/46/843411646.db2.gz XHBQDRJLNXJDHQ-UHFFFAOYSA-N 0 1 398.444 3.997 20 5 GHBDMN O=[N+]([O-])c1ccccc1OCCN1CCC(Cc2nc(C3CCC3)no2)CC1 ZINC000599641677 861439302 /nfs/dbraw/zinc/43/93/02/861439302.db2.gz NYXRPEHYZHLXTK-UHFFFAOYSA-N 0 1 386.452 3.579 20 5 GHBDMN C[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1OC(F)F ZINC000056196578 861451905 /nfs/dbraw/zinc/45/19/05/861451905.db2.gz BMFHEHYWINOXPL-RYUDHWBXSA-N 0 1 379.363 3.874 20 5 GHBDMN COc1ccc(S(=O)(=O)Nc2ccccc2OC2CCCC2)cc1[N+](=O)[O-] ZINC000603981305 861500862 /nfs/dbraw/zinc/50/08/62/861500862.db2.gz VWFJUJAEZDTWTO-UHFFFAOYSA-N 0 1 392.433 3.726 20 5 GHBDMN C[C@H]1CN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[C@@H]1c1ccccc1 ZINC001167499368 845307313 /nfs/dbraw/zinc/30/73/13/845307313.db2.gz HMAXEJDIRWEGCQ-JXFKEZNVSA-N 0 1 379.460 3.610 20 5 GHBDMN COc1ccc(C[N@@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000611252192 845319745 /nfs/dbraw/zinc/31/97/45/845319745.db2.gz HIHZIKLHBKOMDC-UHFFFAOYSA-N 0 1 396.447 3.645 20 5 GHBDMN COc1ccc(CN(C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000611252192 845319755 /nfs/dbraw/zinc/31/97/55/845319755.db2.gz HIHZIKLHBKOMDC-UHFFFAOYSA-N 0 1 396.447 3.645 20 5 GHBDMN Cc1cccc(CN(Cc2ccccn2)C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])c1 ZINC000433762899 845323966 /nfs/dbraw/zinc/32/39/66/845323966.db2.gz SSHKXAHJSHCXQP-UHFFFAOYSA-N 0 1 393.447 3.987 20 5 GHBDMN CCOc1ccc2nc(S[C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])[nH]c2c1 ZINC000004830337 845437636 /nfs/dbraw/zinc/43/76/36/845437636.db2.gz GZUPPVAFVBUUCQ-NSHDSACASA-N 0 1 386.433 3.989 20 5 GHBDMN COC[C@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)[C@@H]1CCCO1 ZINC000433174078 845585268 /nfs/dbraw/zinc/58/52/68/845585268.db2.gz JQOMRBHQCYVFDE-WMZOPIPTSA-N 0 1 380.828 3.792 20 5 GHBDMN CO[C@@H](c1ccccc1Cl)[C@@H](C)NCC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000481525923 861601191 /nfs/dbraw/zinc/60/11/91/861601191.db2.gz DMTBJAXLTPEWGM-BFUOFWGJSA-N 0 1 391.855 3.861 20 5 GHBDMN O=[N+]([O-])c1ccccc1CCNCc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000548722846 846821997 /nfs/dbraw/zinc/82/19/97/846821997.db2.gz NQPUBJYQXJOENJ-UHFFFAOYSA-N 0 1 392.246 3.815 20 5 GHBDMN C[C@@H](NCC(=O)Nc1cccc(Br)c1)c1cccc([N+](=O)[O-])c1 ZINC000137205599 847005392 /nfs/dbraw/zinc/00/53/92/847005392.db2.gz QKFLHGSBZJNIAP-LLVKDONJSA-N 0 1 378.226 3.647 20 5 GHBDMN CCc1[nH]n(Cc2ccccc2C)c(=O)c1CCNc1ncc([N+](=O)[O-])cc1F ZINC000413307215 847140910 /nfs/dbraw/zinc/14/09/10/847140910.db2.gz AAVFTYRTAZWVMO-MRXNPFEDSA-N 0 1 399.426 3.664 20 5 GHBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1cccc([C@@H]2CCCOC2)c1 ZINC000501842647 847238394 /nfs/dbraw/zinc/23/83/94/847238394.db2.gz PLJGRUOSKHVGTG-MRXNPFEDSA-N 0 1 393.403 3.526 20 5 GHBDMN CCCOc1cc(C)ccc1NS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000511144452 847445496 /nfs/dbraw/zinc/44/54/96/847445496.db2.gz KDPUMMFWORCCLR-UHFFFAOYSA-N 0 1 380.422 3.501 20 5 GHBDMN O=C(c1ccccc1)c1ccccc1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000479501788 847670071 /nfs/dbraw/zinc/67/00/71/847670071.db2.gz KNAZVEIDQCQBIU-UHFFFAOYSA-N 0 1 382.397 3.627 20 5 GHBDMN O=[N+]([O-])c1ccc(NCCc2cc(-c3ccncc3)[nH]n2)c(Br)c1 ZINC000503552123 847791985 /nfs/dbraw/zinc/79/19/85/847791985.db2.gz QLBKJGHSJPQQCD-UHFFFAOYSA-N 0 1 388.225 3.797 20 5 GHBDMN O=C(NCc1ccnc(OC2CCCCC2)c1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000503827690 847955881 /nfs/dbraw/zinc/95/58/81/847955881.db2.gz IOVXVNSTEGGQOG-UHFFFAOYSA-N 0 1 395.419 3.508 20 5 GHBDMN CN(C)Cc1ccc(CNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1F ZINC000121851654 848101271 /nfs/dbraw/zinc/10/12/71/848101271.db2.gz AJVZYUSPLCKKED-UHFFFAOYSA-N 0 1 399.344 3.744 20 5 GHBDMN Cc1ccc(NS(=O)(=O)c2cc(F)ccc2Br)cc1[N+](=O)[O-] ZINC000135603137 848192499 /nfs/dbraw/zinc/19/24/99/848192499.db2.gz LLLRHTRTLCENJO-UHFFFAOYSA-N 0 1 389.202 3.606 20 5 GHBDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])n[nH]1 ZINC000277916049 848466661 /nfs/dbraw/zinc/46/66/61/848466661.db2.gz RBOSPAKVXFDSPZ-RKDXNWHRSA-N 0 1 385.346 3.736 20 5 GHBDMN CN(CCCOc1ccc(Cl)cc1)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000604186021 861909451 /nfs/dbraw/zinc/90/94/51/861909451.db2.gz YLZQIHRQVJTLPG-UHFFFAOYSA-N 0 1 388.811 3.666 20 5 GHBDMN CC[C@H](C)c1nc([C@H](C)NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)n[nH]1 ZINC000277962707 848656466 /nfs/dbraw/zinc/65/64/66/848656466.db2.gz ULIJOXVBIHCIDG-QWRGUYRKSA-N 0 1 377.420 3.521 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@](F)(c2ccccc2)C1 ZINC000514877469 849028374 /nfs/dbraw/zinc/02/83/74/849028374.db2.gz LQHYTXRECBXWKQ-FQEVSTJZSA-N 0 1 387.411 3.503 20 5 GHBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@@H]3OCC[C@@H]3C2)cc1OC ZINC000518765327 850061160 /nfs/dbraw/zinc/06/11/60/850061160.db2.gz VOPCXTNAPMAFQC-DAYGRLMNSA-N 0 1 378.469 3.639 20 5 GHBDMN CC[C@@H](C)c1nc([C@@H](C)Nc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)n[nH]1 ZINC000486796760 850106083 /nfs/dbraw/zinc/10/60/83/850106083.db2.gz LKDZDOWZUHNEQH-ZIAGYGMSSA-N 0 1 396.451 3.795 20 5 GHBDMN O=C(Nc1nnc(Cc2cccc(Cl)c2)s1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000506680659 850421214 /nfs/dbraw/zinc/42/12/14/850421214.db2.gz IBDUXUFFTPMZHO-UHFFFAOYSA-N 0 1 390.808 3.648 20 5 GHBDMN COc1cccc([C@H](CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)N(C)C)c1 ZINC000027595095 850473602 /nfs/dbraw/zinc/47/36/02/850473602.db2.gz GASOQDHYMWMYBH-KRWDZBQOSA-N 0 1 399.472 3.851 20 5 GHBDMN O=C([O-])c1ccc([N+](=O)[O-])c(NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)c1 ZINC000910345745 851141159 /nfs/dbraw/zinc/14/11/59/851141159.db2.gz ZLPSUIMYMZIQOU-UHFFFAOYSA-N 0 1 391.374 3.648 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(OC2CCCC2)cc1 ZINC000028260675 851312866 /nfs/dbraw/zinc/31/28/66/851312866.db2.gz XYOJGBFOPJKQLX-UHFFFAOYSA-N 0 1 392.433 3.726 20 5 GHBDMN CCOc1cc(CN(C)Cc2cc(O)ccc2[N+](=O)[O-])ccc1OC(F)F ZINC000506177386 852039650 /nfs/dbraw/zinc/03/96/50/852039650.db2.gz DPYXEWRJZWWLHV-UHFFFAOYSA-N 0 1 382.363 3.933 20 5 GHBDMN Cc1ccc([C@@H](C)NC(=O)NC[C@@H](C)N2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000489327648 852232958 /nfs/dbraw/zinc/23/29/58/852232958.db2.gz YRAVMPRYRQTAOK-IAGOWNOFSA-N 0 1 396.491 3.710 20 5 GHBDMN O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ncc(C(F)(F)F)[nH]1 ZINC000506916012 852330139 /nfs/dbraw/zinc/33/01/39/852330139.db2.gz HWJZBOCYPICTBZ-UHFFFAOYSA-N 0 1 386.333 3.535 20 5 GHBDMN Cc1nc(S(=O)(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)[nH]c1-c1ccccc1 ZINC000506943884 852350518 /nfs/dbraw/zinc/35/05/18/852350518.db2.gz IZBWDJDRNRLTBS-UHFFFAOYSA-N 0 1 393.371 3.545 20 5 GHBDMN COc1ccc2[nH]cc(C3CCN(C(=O)c4cc(O)cc([N+](=O)[O-])c4)CC3)c2c1 ZINC000505919519 852589569 /nfs/dbraw/zinc/58/95/69/852589569.db2.gz RWZWPWKISNZABJ-UHFFFAOYSA-N 0 1 395.415 3.810 20 5 GHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000507302570 852779618 /nfs/dbraw/zinc/77/96/18/852779618.db2.gz JIHBQVSHEGHBEY-LLVKDONJSA-N 0 1 385.351 3.601 20 5 GHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000507302573 852779806 /nfs/dbraw/zinc/77/98/06/852779806.db2.gz JIHBQVSHEGHBEY-NSHDSACASA-N 0 1 385.351 3.601 20 5 GHBDMN CCN(CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)CCC(F)(F)F ZINC000427292687 852942679 /nfs/dbraw/zinc/94/26/79/852942679.db2.gz SQVVYFLOLIETET-UHFFFAOYSA-N 0 1 389.399 3.814 20 5 GHBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000519890469 853587586 /nfs/dbraw/zinc/58/75/86/853587586.db2.gz BJFAGDBZYRKKMQ-GOEBONIOSA-N 0 1 378.425 3.739 20 5 GHBDMN CCN(C(=O)c1ccc([N+](=O)[O-])c(Cl)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000760658156 853696837 /nfs/dbraw/zinc/69/68/37/853696837.db2.gz RUCOXFRSIALXTB-KRWDZBQOSA-N 0 1 387.867 3.985 20 5 GHBDMN Cc1c(NC(=O)[C@@H](C)N(C)CCCOCc2ccccc2)cccc1[N+](=O)[O-] ZINC000439480242 853707218 /nfs/dbraw/zinc/70/72/18/853707218.db2.gz CMCZZKPMRPTSID-QGZVFWFLSA-N 0 1 385.464 3.769 20 5 GHBDMN CC[C@@H](c1ccccc1)N1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC001126497511 853734942 /nfs/dbraw/zinc/73/49/42/853734942.db2.gz LQEZYIAGYKVZBT-DGDFFNOKSA-N 0 1 379.460 3.904 20 5 GHBDMN CC[C@H](N[C@H](C)c1cccc(NS(C)(=O)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000164258782 853798509 /nfs/dbraw/zinc/79/85/09/853798509.db2.gz PISXIIHDWRWHTM-ACJLOTCBSA-N 0 1 377.466 3.768 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N(C)[C@@H]2C[C@H](Oc3ccccc3)C2(C)C)c1[N+](=O)[O-] ZINC000588778429 854414785 /nfs/dbraw/zinc/41/47/85/854414785.db2.gz IZDNEXVJUYMFGH-CABCVRRESA-N 0 1 386.452 3.759 20 5 GHBDMN CCOc1ccc([C@H](C)NCC(=O)Nc2ccc(OCC)cc2[N+](=O)[O-])cc1 ZINC000589241864 854757189 /nfs/dbraw/zinc/75/71/89/854757189.db2.gz CJUKHOMHRQLGFV-AWEZNQCLSA-N 0 1 387.436 3.682 20 5 GHBDMN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1cc(-c2ccccc2)on1 ZINC000482005751 862600955 /nfs/dbraw/zinc/60/09/55/862600955.db2.gz FIGUIXDIDJDTPU-AWEZNQCLSA-N 0 1 380.404 3.757 20 5 GHBDMN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cnc(C(F)(F)F)cc2C)c1C ZINC000589557555 855026292 /nfs/dbraw/zinc/02/62/92/855026292.db2.gz ASMINIMLGUYCOU-UHFFFAOYSA-N 0 1 389.355 3.735 20 5 GHBDMN CN(CCCN(C)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl)Cc1ccco1 ZINC000553719265 855333994 /nfs/dbraw/zinc/33/39/94/855333994.db2.gz AUUQNUOBDKKCGB-UHFFFAOYSA-N 0 1 394.859 3.505 20 5 GHBDMN O=C(Nc1c(=O)[nH][nH]c1-c1ccccc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000590399248 855390262 /nfs/dbraw/zinc/39/02/62/855390262.db2.gz IPHAMUUWOBNIGB-UHFFFAOYSA-N 0 1 393.403 3.543 20 5 GHBDMN COc1ccc(OCCN2CCC[C@H]2c2ccc3c(c2)OCO3)c([N+](=O)[O-])c1 ZINC000441502019 855483437 /nfs/dbraw/zinc/48/34/37/855483437.db2.gz RAXHEOUKLFGWGX-INIZCTEOSA-N 0 1 386.404 3.548 20 5 GHBDMN COc1cc(CNc2ncc(Cc3cccc(F)c3)s2)cc([N+](=O)[O-])c1O ZINC000542753324 855634352 /nfs/dbraw/zinc/63/43/52/855634352.db2.gz DGIWHFVPOOXKGY-UHFFFAOYSA-N 0 1 389.408 3.529 20 5 GHBDMN CN(C(=O)CSc1nc(C=Cc2ccccc2)n[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000591374527 855955861 /nfs/dbraw/zinc/95/58/61/855955861.db2.gz KVTGRBDABKWZBI-GHXNOFRVSA-N 0 1 395.444 3.638 20 5 GHBDMN Cc1ccc2nc([C@@H]3CCCN(C(=O)c4cc([N+](=O)[O-])cnc4C)C3)[nH]c2c1 ZINC000171197494 856023587 /nfs/dbraw/zinc/02/35/87/856023587.db2.gz WOSZCYNBDOWFJE-CQSZACIVSA-N 0 1 379.420 3.503 20 5 GHBDMN CN(C)[C@@H](CNC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000172464302 856448192 /nfs/dbraw/zinc/44/81/92/856448192.db2.gz KWQMRVOEYCOKNQ-KRWDZBQOSA-N 0 1 390.509 3.581 20 5 GHBDMN CN(C)[C@@H](CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cccc(F)c1 ZINC000173131499 856753884 /nfs/dbraw/zinc/75/38/84/856753884.db2.gz DFOMWQIACJLNMR-INIZCTEOSA-N 0 1 399.344 3.785 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H](c1ccccc1)C1(CO)CC=CC1 ZINC000592177686 856761744 /nfs/dbraw/zinc/76/17/44/856761744.db2.gz NNKHLIVQMRAHIS-OAQYLSRUSA-N 0 1 395.459 3.501 20 5 GHBDMN COc1ccc(OCCN2CCC(Nc3ccc(F)cc3)CC2)c([N+](=O)[O-])c1 ZINC000173283779 856832045 /nfs/dbraw/zinc/83/20/45/856832045.db2.gz PQOVJTKZRDKJJD-UHFFFAOYSA-N 0 1 389.427 3.698 20 5 GHBDMN C[C@H](c1cccc(Br)c1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000485673027 856910378 /nfs/dbraw/zinc/91/03/78/856910378.db2.gz SBBXHXWYCNKGQI-IUODEOHRSA-N 0 1 391.269 4.000 20 5 GHBDMN CCCc1[nH]nc(C(=O)N2CCn3c(cc4cc(Cl)ccc43)C2)c1[N+](=O)[O-] ZINC000427962205 856938569 /nfs/dbraw/zinc/93/85/69/856938569.db2.gz FAYXQVOEHGKYNR-UHFFFAOYSA-N 0 1 387.827 3.535 20 5 GHBDMN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(Oc3ccccc3F)nc2)c1 ZINC000442245629 857649377 /nfs/dbraw/zinc/64/93/77/857649377.db2.gz RTOLZFOJNIMNQX-UHFFFAOYSA-N 0 1 389.364 3.722 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCc1cccc(CN2CCCC2=O)c1 ZINC000595008927 858365433 /nfs/dbraw/zinc/36/54/33/858365433.db2.gz WOMDVUCFSPYMCM-HNNXBMFYSA-N 0 1 383.448 3.577 20 5 GHBDMN O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000521835091 858372629 /nfs/dbraw/zinc/37/26/29/858372629.db2.gz AMTTWJNQIYXAOC-UHFFFAOYSA-N 0 1 391.830 3.782 20 5 GHBDMN Cc1cc(N2CCC(C[N@H+](C)Cc3ccccc3)CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000592972029 858458060 /nfs/dbraw/zinc/45/80/60/858458060.db2.gz OTBZFPIFVDKYQV-UHFFFAOYSA-N 0 1 397.475 3.950 20 5 GHBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@H]2c3ccccc3CC23CCOCC3)c1 ZINC000593028578 858567289 /nfs/dbraw/zinc/56/72/89/858567289.db2.gz HVXADUSFAMUILJ-FQEVSTJZSA-N 0 1 396.443 3.565 20 5 GHBDMN COC(=O)[C@@H]1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H]2CCCC[C@H]12 ZINC000595733519 858669804 /nfs/dbraw/zinc/66/98/04/858669804.db2.gz RFJKCKWTPIOFBN-QRVBRYPASA-N 0 1 399.447 3.804 20 5 GHBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@@H](N(C)c2ccccc2)C1 ZINC000595829802 858702639 /nfs/dbraw/zinc/70/26/39/858702639.db2.gz YXDOCFZISPTKIZ-HNAYVOBHSA-N 0 1 393.447 3.917 20 5 GHBDMN O=C(CCN1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000593126547 858720305 /nfs/dbraw/zinc/72/03/05/858720305.db2.gz WDAPDBSRYRCODE-ACRUOGEOSA-N 0 1 395.459 3.918 20 5 GHBDMN O=c1[nH]ccc(NC[C@@H]2CCCCN2Cc2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000596123668 858785106 /nfs/dbraw/zinc/78/51/06/858785106.db2.gz ZEVFCSHCNQOXID-HNNXBMFYSA-N 0 1 376.844 3.815 20 5 GHBDMN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000185021972 858896904 /nfs/dbraw/zinc/89/69/04/858896904.db2.gz CCJCDGRNKJNIFH-IEBWSBKVSA-N 0 1 385.464 3.710 20 5 GHBDMN O=[N+]([O-])c1ccc(Nc2ccc(CCN3CCOCC3)cc2)c2ncccc12 ZINC000301932422 859179187 /nfs/dbraw/zinc/17/91/87/859179187.db2.gz PEMPKOXHJOEFFR-UHFFFAOYSA-N 0 1 378.432 3.761 20 5 GHBDMN O=[N+]([O-])c1ccc(CN(Cc2ccc(Cl)cc2-n2cncn2)C2CC2)cc1 ZINC000474145147 859276711 /nfs/dbraw/zinc/27/67/11/859276711.db2.gz OTXVEFONMBSWMY-UHFFFAOYSA-N 0 1 383.839 3.994 20 5 GHBDMN COc1ccc(NC(=O)CN[C@H](C)c2ccc3c(c2)CCCC3)c([N+](=O)[O-])c1 ZINC000499721982 859292563 /nfs/dbraw/zinc/29/25/63/859292563.db2.gz XEZDTPRSJWIHRQ-CQSZACIVSA-N 0 1 383.448 3.772 20 5 GHBDMN CCc1ccc([C@@H](NC2CCN(C(=O)C3CC3)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543406574 859602502 /nfs/dbraw/zinc/60/25/02/859602502.db2.gz KQXGUKIGJVBFQR-NRFANRHFSA-N 0 1 397.475 3.830 20 5 GHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000593371781 859653292 /nfs/dbraw/zinc/65/32/92/859653292.db2.gz WHGDRXNMUPMBED-FHWLQOOXSA-N 0 1 392.415 3.606 20 5 GHBDMN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1COc2c1cccc2Cl ZINC000611336855 859712994 /nfs/dbraw/zinc/71/29/94/859712994.db2.gz SZTNSAQTCQZGIO-MEDUHNTESA-N 0 1 375.812 3.689 20 5 GHBDMN O=C(C[C@H]1CCc2ccccc2C1)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000483981437 859741538 /nfs/dbraw/zinc/74/15/38/859741538.db2.gz TZODQZXSOCIGFB-ZDUSSCGKSA-N 0 1 377.404 3.514 20 5 GHBDMN Cc1ccc([C@H](C)NCc2cccc(C(=O)NC[C@@H]3CCCO3)c2)cc1[N+](=O)[O-] ZINC000154225552 860026062 /nfs/dbraw/zinc/02/60/62/860026062.db2.gz NQDOZBXZHZLIGY-JXFKEZNVSA-N 0 1 397.475 3.663 20 5 GHBDMN Cc1c([C@@H](C)NCc2cccc(C(=O)NC[C@H]3CCCO3)c2)cccc1[N+](=O)[O-] ZINC000154234930 860029170 /nfs/dbraw/zinc/02/91/70/860029170.db2.gz JWSCCOFSNPSBBD-VQIMIIECSA-N 0 1 397.475 3.663 20 5 GHBDMN CC[C@H](NCc1cccc(C(=O)NC[C@@H]2CCCO2)c1)c1cccc([N+](=O)[O-])c1 ZINC000154248371 860032671 /nfs/dbraw/zinc/03/26/71/860032671.db2.gz QRBRAINWHYFPAE-SFTDATJTSA-N 0 1 397.475 3.745 20 5 GHBDMN O=C(Nc1[nH]nc2c1cccc2Cl)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000154382477 860092076 /nfs/dbraw/zinc/09/20/76/860092076.db2.gz CHYPTLLDNCAWPD-UHFFFAOYSA-N 0 1 382.767 3.563 20 5 GHBDMN Cc1ccc2nc([C@@H]3CCCN(C(=O)Cc4ccc(F)cc4[N+](=O)[O-])C3)[nH]c2c1 ZINC000593545944 860291696 /nfs/dbraw/zinc/29/16/96/860291696.db2.gz HOSDQIFWHKFJET-OAHLLOKOSA-N 0 1 396.422 3.867 20 5 GHBDMN COc1cc(NCc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)ccc1[N+](=O)[O-] ZINC000301332221 860456553 /nfs/dbraw/zinc/45/65/53/860456553.db2.gz BMPNFJCDCOMLGS-HOTGVXAUSA-N 0 1 385.464 3.825 20 5 GHBDMN COc1ccc([C@@H]2CCN(Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)cc1 ZINC000155320418 860477165 /nfs/dbraw/zinc/47/71/65/860477165.db2.gz NNXDGTWHKBWSQV-MRXNPFEDSA-N 0 1 380.404 3.643 20 5 GHBDMN CN(c1ccccc1)c1ccc(CN[C@@H]2CCN(C3CCC3)C2=O)cc1[N+](=O)[O-] ZINC000599020019 860743191 /nfs/dbraw/zinc/74/31/91/860743191.db2.gz MDWKMZTUJLUPGW-LJQANCHMSA-N 0 1 394.475 3.606 20 5 GHBDMN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@H]2c2ccc(Cl)cc2)c1 ZINC000603497583 860768815 /nfs/dbraw/zinc/76/88/15/860768815.db2.gz FAPFTGFLDAZSCG-MJGOQNOKSA-N 0 1 376.840 3.825 20 5 GHBDMN CC(C)(C)N(CC(=O)Nc1ccc(F)cc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000555415067 860841046 /nfs/dbraw/zinc/84/10/46/860841046.db2.gz ANLFYRABTYRODP-UHFFFAOYSA-N 0 1 375.400 3.679 20 5 GHBDMN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C)N1CCc2ccccc2C1 ZINC000025634733 860940156 /nfs/dbraw/zinc/94/01/56/860940156.db2.gz HFSHFIFQNICWHF-JKSUJKDBSA-N 0 1 399.516 3.638 20 5 GHBDMN COc1ccc2nc(S[C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)[nH]c2c1 ZINC000021828826 860949967 /nfs/dbraw/zinc/94/99/67/860949967.db2.gz KIJJOJSELWPXIF-NSHDSACASA-N 0 1 386.433 3.907 20 5 GHBDMN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN[C@@H](c2nnc[nH]2)c2ccccc2)c1 ZINC000555460987 860951447 /nfs/dbraw/zinc/95/14/47/860951447.db2.gz GPSOCLOPQOQXRY-OAHLLOKOSA-N 0 1 377.326 3.611 20 5 GHBDMN COc1cc(Br)ccc1[C@@H](C)NCc1cc(O)ccc1[N+](=O)[O-] ZINC000555460649 860952402 /nfs/dbraw/zinc/95/24/02/860952402.db2.gz AGJOMGLLYBWGOK-SNVBAGLBSA-N 0 1 381.226 3.922 20 5 GHBDMN O=C([O-])C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1ccc(C(F)(F)F)cc1 ZINC000593744606 861137485 /nfs/dbraw/zinc/13/74/85/861137485.db2.gz RQTBKXSWRGJTOD-UHFFFAOYSA-N 0 1 398.337 3.579 20 5 GHBDMN CCc1[nH]nc(C(=O)N2CCc3ccccc3[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000444193092 863652831 /nfs/dbraw/zinc/65/28/31/863652831.db2.gz ZYVJJSWGBCEJGO-LJQANCHMSA-N 0 1 376.416 3.668 20 5 GHBDMN COc1cccc([C@@H](CNC(=O)Nc2cc([N+](=O)[O-])ccc2C)N2CCCC2)c1 ZINC000043149703 864200442 /nfs/dbraw/zinc/20/04/42/864200442.db2.gz XVWAHEDOAIFHMR-HXUWFJFHSA-N 0 1 398.463 3.870 20 5 GHBDMN COC(=O)[C@H]1CCCC[C@]1(C)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000499256585 881746280 /nfs/dbraw/zinc/74/62/80/881746280.db2.gz QQYLJUDPGKIRBY-APWZRJJASA-N 0 1 389.477 3.930 20 5 GHBDMN C[C@H](C(=O)N[C@H]1CCCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000184919995 865042288 /nfs/dbraw/zinc/04/22/88/865042288.db2.gz XFPYXHDDRGMLKV-RDJZCZTQSA-N 0 1 385.439 3.618 20 5 GHBDMN COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000792937779 881829507 /nfs/dbraw/zinc/82/95/07/881829507.db2.gz YYVFYEHKSTZBNN-CXAGYDPISA-N 0 1 376.840 3.758 20 5 GHBDMN CCCCc1nc2ccc(NC(=O)c3cc([N+](=O)[O-])cc4c3OCCO4)cc2[nH]1 ZINC000608940436 865845418 /nfs/dbraw/zinc/84/54/18/865845418.db2.gz DNHBPYVMJWOYPI-UHFFFAOYSA-N 0 1 396.403 3.837 20 5 GHBDMN CCN(CC)C(=O)[C@@H](Cc1ccccc1)NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783593010 866153845 /nfs/dbraw/zinc/15/38/45/866153845.db2.gz RGCBGRGPEKAOPJ-GOSISDBHSA-N 0 1 389.883 3.818 20 5 GHBDMN COCC[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC000456307744 866399109 /nfs/dbraw/zinc/39/91/09/866399109.db2.gz YGVQFLWDKWPAFR-MRXNPFEDSA-N 0 1 398.337 3.827 20 5 GHBDMN CC(C)CNC(=O)c1ccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1Cl ZINC000475606928 866804348 /nfs/dbraw/zinc/80/43/48/866804348.db2.gz VKZTVYPFZONMPC-UHFFFAOYSA-N 0 1 391.811 3.592 20 5 GHBDMN CCCc1[nH]nc(C(=O)N2CCC(Cc3cc(F)cc(F)c3)CC2)c1[N+](=O)[O-] ZINC000456735280 867084264 /nfs/dbraw/zinc/08/42/64/867084264.db2.gz WSLPNOLHUYABQV-UHFFFAOYSA-N 0 1 392.406 3.644 20 5 GHBDMN C[C@H]1CN(Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)CC[C@@H]1c1ccccc1 ZINC000742163302 867087170 /nfs/dbraw/zinc/08/71/70/867087170.db2.gz BLBOVEVQSAVOIV-JXFKEZNVSA-N 0 1 377.448 3.936 20 5 GHBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H](C)c1ccc(Br)cc1 ZINC000444738223 867125805 /nfs/dbraw/zinc/12/58/05/867125805.db2.gz RQHSCBWLLHGNHK-LBPRGKRZSA-N 0 1 392.253 3.955 20 5 GHBDMN CN1CC[C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[C@H]1c1ccccc1 ZINC000534754726 867383388 /nfs/dbraw/zinc/38/33/88/867383388.db2.gz QXTGLGZOAXBTRW-VQIMIIECSA-N 0 1 381.457 3.985 20 5 GHBDMN O=C(NC[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1)OCc1ccccc1 ZINC000793298686 882077136 /nfs/dbraw/zinc/07/71/36/882077136.db2.gz NODVHIWBXYHTMW-IBGZPJMESA-N 0 1 383.448 3.733 20 5 GHBDMN Cc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2F)c([N+](=O)[O-])c1 ZINC000609068683 867398773 /nfs/dbraw/zinc/39/87/73/867398773.db2.gz SDWNJPLFTNJPDZ-UHFFFAOYSA-N 0 1 378.303 3.862 20 5 GHBDMN CCCN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@@H]1CCCc2cccnc21 ZINC000479364802 867630311 /nfs/dbraw/zinc/63/03/11/867630311.db2.gz WUPTWMLEZSWZEN-QGZVFWFLSA-N 0 1 379.420 3.796 20 5 GHBDMN Cc1ccc([C@H](CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)N2CCCC2)o1 ZINC000524059180 868464357 /nfs/dbraw/zinc/46/43/57/868464357.db2.gz HOVSTUJQEOGHRG-INIZCTEOSA-N 0 1 377.828 3.717 20 5 GHBDMN COc1ccc([C@@H](C)NCC(=O)Nc2c(C)cccc2[N+](=O)[O-])c(C)c1OC ZINC000553958415 868498073 /nfs/dbraw/zinc/49/80/73/868498073.db2.gz OCBPXSYLIKBGOR-CQSZACIVSA-N 0 1 387.436 3.518 20 5 GHBDMN Cc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000021731085 868662560 /nfs/dbraw/zinc/66/25/60/868662560.db2.gz WAWDOWJKYSKGLG-LBPRGKRZSA-N 0 1 383.433 3.808 20 5 GHBDMN CC(C)[C@@H](C)N1Cc2cccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c2C1 ZINC000462382093 869332674 /nfs/dbraw/zinc/33/26/74/869332674.db2.gz VYUUCCGWMSUXEY-CQSZACIVSA-N 0 1 389.477 3.756 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H]2c2nc3ccc(C)cc3[nH]2)c1 ZINC000519937027 869373113 /nfs/dbraw/zinc/37/31/13/869373113.db2.gz OYIOAFROINICRK-SFHVURJKSA-N 0 1 380.404 3.765 20 5 GHBDMN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(F)cc1OCC1CC1 ZINC000524852670 869676556 /nfs/dbraw/zinc/67/65/56/869676556.db2.gz LDKUSNOXVSRSCS-UHFFFAOYSA-N 0 1 380.397 3.632 20 5 GHBDMN CCN(Cc1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-])CC(C)(C)O ZINC000539829576 869863467 /nfs/dbraw/zinc/86/34/67/869863467.db2.gz XUYGHGBYUKPTKN-UHFFFAOYSA-N 0 1 388.464 3.775 20 5 GHBDMN CC(C)c1ccc(CN[C@@H]2CC(=O)N([C@@H]3C[C@@H]3c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000462752793 870000919 /nfs/dbraw/zinc/00/09/19/870000919.db2.gz BYFPFEFLUZJYDQ-HMXCVIKNSA-N 0 1 393.487 3.965 20 5 GHBDMN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000462755069 870003954 /nfs/dbraw/zinc/00/39/54/870003954.db2.gz TZMACCIIZXIWHA-QAPCUYQASA-N 0 1 375.494 3.644 20 5 GHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(-c3ncc4n3CCCC4)c2)cc1 ZINC000446967799 870821203 /nfs/dbraw/zinc/82/12/03/870821203.db2.gz WOKYUKDOCSHIOQ-UHFFFAOYSA-N 0 1 398.444 3.595 20 5 GHBDMN Cc1cc(C(=O)N2CCC[C@H](c3nnc(-c4ccccc4)[nH]3)C2)ccc1[N+](=O)[O-] ZINC000181324864 870827185 /nfs/dbraw/zinc/82/71/85/870827185.db2.gz TYASXLDOBBBRKE-KRWDZBQOSA-N 0 1 391.431 3.708 20 5 GHBDMN Cc1sc(C(=O)N2CCC[C@H](c3nnc(-c4ccccc4)[nH]3)C2)cc1[N+](=O)[O-] ZINC000181357649 870914211 /nfs/dbraw/zinc/91/42/11/870914211.db2.gz GWJFXLMVRUWIMF-AWEZNQCLSA-N 0 1 397.460 3.770 20 5 GHBDMN O=[N+]([O-])C[C@H]1CC[C@@H](N2CCN(c3ccc(F)c(Cl)c3Cl)CC2)C1 ZINC001169057737 871144627 /nfs/dbraw/zinc/14/46/27/871144627.db2.gz XOQWSAOTEIWAHB-NWDGAFQWSA-N 0 1 376.259 3.700 20 5 GHBDMN CC[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC001169090656 871200841 /nfs/dbraw/zinc/20/08/41/871200841.db2.gz JEMMCXTYRFIIII-SFHVURJKSA-N 0 1 384.436 3.599 20 5 GHBDMN O=C(N[C@@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1)c1n[nH]cc1[N+](=O)[O-] ZINC000539096372 871304602 /nfs/dbraw/zinc/30/46/02/871304602.db2.gz FQMXGAVDGARHOM-GFCCVEGCSA-N 0 1 388.733 3.871 20 5 GHBDMN CC[C@H](NCc1cccc([N+](=O)[O-])c1)c1ccccc1OCC(=O)N1CCCC1 ZINC000069754627 871472730 /nfs/dbraw/zinc/47/27/30/871472730.db2.gz OJUWSWZKMCGAJM-FQEVSTJZSA-N 0 1 397.475 3.837 20 5 GHBDMN Cc1ccc([C@H](C)NCC(=O)N(C)c2nc3ccccc3s2)cc1[N+](=O)[O-] ZINC000181810773 871497196 /nfs/dbraw/zinc/49/71/96/871497196.db2.gz KNEMJDVRSJHYNG-ZDUSSCGKSA-N 0 1 384.461 3.827 20 5 GHBDMN COc1ccc([C@H](CNc2ccc([N+](=O)[O-])cc2C(C)=O)N(C)C)cc1OC ZINC000804323975 871519461 /nfs/dbraw/zinc/51/94/61/871519461.db2.gz AAEVYWUQWXTIHV-SFHVURJKSA-N 0 1 387.436 3.529 20 5 GHBDMN COc1cccc([C@@H](CNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])N2CCCC2)c1 ZINC000804327505 871541574 /nfs/dbraw/zinc/54/15/74/871541574.db2.gz QPMRZBGZAXLQRO-GOSISDBHSA-N 0 1 386.408 3.761 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@](C)(c2ccccc2)CC1 ZINC001194260012 871596408 /nfs/dbraw/zinc/59/64/08/871596408.db2.gz CCBWBOXCKPPMCG-JOCHJYFZSA-N 0 1 397.475 3.986 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2nc(CNCCn3cnc4ccccc43)cs2)c1 ZINC000540588363 871687775 /nfs/dbraw/zinc/68/77/75/871687775.db2.gz JTZSGLWKVHGZKH-UHFFFAOYSA-N 0 1 379.445 3.858 20 5 GHBDMN O=[N+]([O-])c1cc(CN[C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)cs1 ZINC000540609577 871706007 /nfs/dbraw/zinc/70/60/07/871706007.db2.gz VVHAXZSFSLDBRW-LBPRGKRZSA-N 0 1 387.383 3.923 20 5 GHBDMN C[C@H](Cc1cccs1)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462158695 871711641 /nfs/dbraw/zinc/71/16/41/871711641.db2.gz SWPFTRAVWZAPGG-MRVPVSSYSA-N 0 1 395.289 3.873 20 5 GHBDMN CC1(C)CC[C@@H]2C[C@H](NS(=O)(=O)c3cccnc3[N+](=O)[O-])c3cccc1c32 ZINC000540653358 871849688 /nfs/dbraw/zinc/84/96/88/871849688.db2.gz FFTFMCDUBXSTLR-DOMZBBRYSA-N 0 1 387.461 3.568 20 5 GHBDMN CC1(C)CC[C@H]2C[C@@H](NS(=O)(=O)c3cccnc3[N+](=O)[O-])c3cccc1c32 ZINC000540653363 871850072 /nfs/dbraw/zinc/85/00/72/871850072.db2.gz FFTFMCDUBXSTLR-SWLSCSKDSA-N 0 1 387.461 3.568 20 5 GHBDMN CC(C)[C@H]1C[C@@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000447591150 871900453 /nfs/dbraw/zinc/90/04/53/871900453.db2.gz BYGMILSYWOTLLX-WOJBJXKFSA-N 0 1 388.489 3.843 20 5 GHBDMN CC[C@@H](C)Oc1cc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)ccc1OC ZINC000618821904 872008562 /nfs/dbraw/zinc/00/85/62/872008562.db2.gz XZYIARWQESLJPH-OAHLLOKOSA-N 0 1 388.468 3.814 20 5 GHBDMN Cc1cc(C)c([N+](=O)[O-])cc1NS(=O)(=O)c1cccc2c1OC(C)(C)C2 ZINC000443400136 872097417 /nfs/dbraw/zinc/09/74/17/872097417.db2.gz PIWJZOKOLLXDND-UHFFFAOYSA-N 0 1 376.434 3.726 20 5 GHBDMN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000448034768 872723818 /nfs/dbraw/zinc/72/38/18/872723818.db2.gz LGEYGXBBXONZDT-FOIQADDNSA-N 0 1 382.464 3.825 20 5 GHBDMN CCCN1Cc2cccc(NS(=O)(=O)c3cc([N+](=O)[O-])ccc3CC)c2C1 ZINC000541005839 872729800 /nfs/dbraw/zinc/72/98/00/872729800.db2.gz BPERIEXUKDLENE-UHFFFAOYSA-N 0 1 389.477 3.684 20 5 GHBDMN Cc1c(CC(=O)N2C[C@H](C)N(Cc3ccccc3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC001127247493 872916784 /nfs/dbraw/zinc/91/67/84/872916784.db2.gz XLNCUKZDHLJVDG-IRXDYDNUSA-N 0 1 381.476 3.567 20 5 GHBDMN O=C(CCN[C@@H](CO)c1cccc(Cl)c1Cl)Nc1ccc([N+](=O)[O-])cc1 ZINC001196285162 873017667 /nfs/dbraw/zinc/01/76/67/873017667.db2.gz IWRAHXFHYLWDHV-HNNXBMFYSA-N 0 1 398.246 3.553 20 5 GHBDMN Cc1[nH]nc(C(=O)N(Cc2ccccc2C(F)(F)F)CC2CC2)c1[N+](=O)[O-] ZINC000552715251 873077639 /nfs/dbraw/zinc/07/76/39/873077639.db2.gz GWQOFAMDXGGJBK-UHFFFAOYSA-N 0 1 382.342 3.698 20 5 GHBDMN COc1ccc(C[C@H](C)CN(C)Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)cc1 ZINC000121441705 873153763 /nfs/dbraw/zinc/15/37/63/873153763.db2.gz HXWCAGVPTAJVGD-INIZCTEOSA-N 0 1 395.463 3.630 20 5 GHBDMN CN(CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C[C@H]1CC=CCC1 ZINC000541319811 873364183 /nfs/dbraw/zinc/36/41/83/873364183.db2.gz DSSCJIUEJLIQBH-AWEZNQCLSA-N 0 1 386.477 3.945 20 5 GHBDMN O=C(CN1C[C@H]2[C@H](C[C@@H]2c2ccccc2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC001196898954 873465889 /nfs/dbraw/zinc/46/58/89/873465889.db2.gz JTBZXGIRUOKWGF-OIISXLGYSA-N 0 1 385.851 3.922 20 5 GHBDMN O=C(CN1CCCC[C@@H](C2CCOCC2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC001197285435 873712965 /nfs/dbraw/zinc/71/29/65/873712965.db2.gz QFLDOVGHGBLGNQ-OAHLLOKOSA-N 0 1 395.887 3.715 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2ccc(Br)cc2[nH]1 ZINC000464572738 874095910 /nfs/dbraw/zinc/09/59/10/874095910.db2.gz SJYIDIBBLOUZDH-UHFFFAOYSA-N 0 1 375.182 3.794 20 5 GHBDMN COc1ccc2nc(S[C@H](C)C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)[nH]c2c1 ZINC000004273652 874153582 /nfs/dbraw/zinc/15/35/82/874153582.db2.gz LYDUBQZAEONXKI-SECBINFHSA-N 0 1 390.396 3.738 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCO[C@@H](C2CCCCC2)C1 ZINC000541718131 874161133 /nfs/dbraw/zinc/16/11/33/874161133.db2.gz KLNSYKCHKOBILH-LJQANCHMSA-N 0 1 375.469 3.513 20 5 GHBDMN CN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)Cc1cc(Cl)ccc1F ZINC000769850237 874324524 /nfs/dbraw/zinc/32/45/24/874324524.db2.gz BGUSZFFXVCQGKH-UHFFFAOYSA-N 0 1 383.782 3.987 20 5 GHBDMN O=C1[C@H](N2CC[C@H](CSc3ccccc3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000464766663 874459104 /nfs/dbraw/zinc/45/91/04/874459104.db2.gz UWVXULBHFXBKOO-OXJNMPFZSA-N 0 1 397.500 3.814 20 5 GHBDMN COc1ccc(NC(=O)[C@H](C)N2CCC[C@@H](C3CCCC3)C2)c([N+](=O)[O-])c1 ZINC001198706560 874598061 /nfs/dbraw/zinc/59/80/61/874598061.db2.gz QGJNALROBQCUSQ-GOEBONIOSA-N 0 1 375.469 3.833 20 5 GHBDMN O=C(Nc1cccc(-c2cn[nH]n2)c1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000443671866 874771368 /nfs/dbraw/zinc/77/13/68/874771368.db2.gz DRPGODHUOHTEED-UHFFFAOYSA-N 0 1 392.400 3.756 20 5 GHBDMN Cn1cc(Br)c(CN[C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])n1 ZINC000449483768 874932907 /nfs/dbraw/zinc/93/29/07/874932907.db2.gz KLTJPYRRFFXCBD-SWLSCSKDSA-N 0 1 393.285 3.592 20 5 GHBDMN COc1cccc(-c2nc(C)c(C(=O)OCCOc3cccc([N+](=O)[O-])c3)[nH]2)c1 ZINC000772098653 875676262 /nfs/dbraw/zinc/67/62/62/875676262.db2.gz KMZVVMYUIAFKIA-UHFFFAOYSA-N 0 1 397.387 3.538 20 5 GHBDMN Cc1ccc(CNC(=O)C2CCN([C@@H](C)c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000475741378 882967770 /nfs/dbraw/zinc/96/77/70/882967770.db2.gz WKGXYZSHQHFHGT-KRWDZBQOSA-N 0 1 381.476 3.993 20 5 GHBDMN O=c1[nH]c(C(Cl)=Cc2cc(O)ccc2[N+](=O)[O-])nc2ccc(Cl)cc12 ZINC000176380271 875937387 /nfs/dbraw/zinc/93/73/87/875937387.db2.gz RGQGJQDAMLCCOR-SDQBBNPISA-N 0 1 378.171 3.927 20 5 GHBDMN O=C(Nc1nc2ccc(F)cc2[nH]1)c1cccc([N+](=O)[O-])c1Br ZINC000785877524 876286648 /nfs/dbraw/zinc/28/66/48/876286648.db2.gz URFCLOPMDAJDRF-UHFFFAOYSA-N 0 1 379.145 3.625 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000850427838 876911522 /nfs/dbraw/zinc/91/15/22/876911522.db2.gz DVHRRHVKJFUGBT-KBPBESRZSA-N 0 1 385.420 3.972 20 5 GHBDMN C[C@@H](Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O)c1nc2ccc(Cl)cc2[nH]1 ZINC000786782395 876934858 /nfs/dbraw/zinc/93/48/58/876934858.db2.gz SIDFZVHVKOBVMN-SECBINFHSA-N 0 1 394.840 3.701 20 5 GHBDMN C[C@@H]1C[C@H](c2cccnc2)N(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)C1 ZINC000450840052 876980047 /nfs/dbraw/zinc/98/00/47/876980047.db2.gz VWTWTWYGNBECQK-BFUOFWGJSA-N 0 1 377.404 3.603 20 5 GHBDMN CCCc1[nH]nc(C(=O)N2CCC[C@H](c3cc4ccccc4[nH]3)C2)c1[N+](=O)[O-] ZINC000609991622 877286767 /nfs/dbraw/zinc/28/67/67/877286767.db2.gz WFCLSCYCXZXFET-AWEZNQCLSA-N 0 1 381.436 3.772 20 5 GHBDMN COc1ccc([C@H](NC(=O)CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)C(C)C)cc1 ZINC000451096124 877328332 /nfs/dbraw/zinc/32/83/32/877328332.db2.gz AMBLWTHUXFPWLN-YCRPNKLZSA-N 0 1 385.464 3.768 20 5 GHBDMN CC(C)Nc1ccc([N+](=O)[O-])cc1NS(=O)(=O)Cc1cc(C(C)(C)C)on1 ZINC000451093909 877361564 /nfs/dbraw/zinc/36/15/64/877361564.db2.gz GIQKJPIOCRCFOX-UHFFFAOYSA-N 0 1 396.469 3.643 20 5 GHBDMN COc1ccc(Cl)cc1NC(=O)[C@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451105415 877403338 /nfs/dbraw/zinc/40/33/38/877403338.db2.gz MWADXVXXBJXREE-RYUDHWBXSA-N 0 1 377.828 3.935 20 5 GHBDMN Cc1noc(CN2CCC3(CC2)CCN(C(=O)OC(C)(C)C)CC3)c1[N+](=O)[O-] ZINC000851978079 878011515 /nfs/dbraw/zinc/01/15/15/878011515.db2.gz HFRVQIHMCVBGRW-UHFFFAOYSA-N 0 1 394.472 3.504 20 5 GHBDMN CC(=O)c1cccc(OCc2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3F)no2)c1 ZINC000179920217 878182171 /nfs/dbraw/zinc/18/21/71/878182171.db2.gz XTECJUNFNKDFHI-UHFFFAOYSA-N 0 1 399.334 3.756 20 5 GHBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@@H](OC)[C@@H](C)C2)cc1OC ZINC000451576101 878185774 /nfs/dbraw/zinc/18/57/74/878185774.db2.gz UBPVJOIRRXVSNH-RLFYNMQTSA-N 0 1 380.485 3.885 20 5 GHBDMN CCOc1ccc([C@H](C)NCc2ccc(S(=O)(=O)CC)cc2)cc1[N+](=O)[O-] ZINC000179947385 878281577 /nfs/dbraw/zinc/28/15/77/878281577.db2.gz SOMBFWRURHLKGK-AWEZNQCLSA-N 0 1 392.477 3.638 20 5 GHBDMN CCn1c2ccccc2nc1[C@@H]1CCCN1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776591619 878298287 /nfs/dbraw/zinc/29/82/87/878298287.db2.gz LGKMAIMZPIRQCL-VQTJNVASSA-N 0 1 380.448 3.835 20 5 GHBDMN COC(=O)COc1ccc(CN2CCC(C3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000616136020 878567596 /nfs/dbraw/zinc/56/75/96/878567596.db2.gz CGEYHKBAEDWSCC-UHFFFAOYSA-N 0 1 376.453 3.549 20 5 GHBDMN Cc1ccc([N+](=O)[O-])c(C)c1NS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000180160562 878579068 /nfs/dbraw/zinc/57/90/68/878579068.db2.gz CVCQUVUPDQTAJJ-UHFFFAOYSA-N 0 1 379.394 3.537 20 5 GHBDMN C[C@@H]1C[C@H](c2ccc(F)cc2)CN1Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853497033 879063412 /nfs/dbraw/zinc/06/34/12/879063412.db2.gz OHHZYAHQYJXUKO-ZBFHGGJFSA-N 0 1 381.411 3.828 20 5 GHBDMN O=C1[C@@H](NCc2ccc([N+](=O)[O-])c(Cl)c2)CCN1CCCc1ccccc1 ZINC000761525355 879245832 /nfs/dbraw/zinc/24/58/32/879245832.db2.gz HKHSQOOMQMAWMP-SFHVURJKSA-N 0 1 387.867 3.572 20 5 GHBDMN CC(C)[C@H](NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@H](O)C(F)(F)F ZINC001170120270 879281239 /nfs/dbraw/zinc/28/12/39/879281239.db2.gz ZYDBBLFTOKEPQO-JQWIXIFHSA-N 0 1 375.174 3.939 20 5 GHBDMN C[C@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(-n2cccn2)cc1 ZINC000180849645 879382209 /nfs/dbraw/zinc/38/22/09/879382209.db2.gz HBNWXWWJHWYXSM-ZDUSSCGKSA-N 0 1 399.838 3.723 20 5 GHBDMN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCc1n[nH]c(C(C)C)n1 ZINC000452425815 879446677 /nfs/dbraw/zinc/44/66/77/879446677.db2.gz URBOAESQEQLFQK-UHFFFAOYSA-N 0 1 377.470 3.514 20 5 GHBDMN Cc1c(CN[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)cccc1[N+](=O)[O-] ZINC000790544243 879834572 /nfs/dbraw/zinc/83/45/72/879834572.db2.gz UFMMSZUFXANNBY-MRXNPFEDSA-N 0 1 377.803 3.591 20 5 GHBDMN O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCc2nc(C3CCCCC3)[nH]c2C1 ZINC000791271468 880297364 /nfs/dbraw/zinc/29/73/64/880297364.db2.gz INGSLAPYCBBUOI-MRXNPFEDSA-N 0 1 382.464 3.582 20 5 GHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC(CCc2ccc(O)cc2)CC1 ZINC000531878971 880665231 /nfs/dbraw/zinc/66/52/31/880665231.db2.gz VVFKCYHJPPGHEJ-UHFFFAOYSA-N 0 1 394.431 3.662 20 5 GHBDMN CN(c1ccccc1)c1ccc(CN[C@@H]2C[C@@H]3CCCCN3C2=O)cc1[N+](=O)[O-] ZINC000453623289 881174354 /nfs/dbraw/zinc/17/43/54/881174354.db2.gz JKDXLVLQVZMCKT-RBUKOAKNSA-N 0 1 394.475 3.606 20 5 GHBDMN CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000476897190 883348249 /nfs/dbraw/zinc/34/82/49/883348249.db2.gz YJDYXYCIDJKNEB-SFHVURJKSA-N 0 1 398.806 3.605 20 5 GHBDMN Cc1ccc([C@@H](C)NC(=O)NCc2ccc(CN(C)C)c(F)c2)cc1[N+](=O)[O-] ZINC000135584587 883457662 /nfs/dbraw/zinc/45/76/62/883457662.db2.gz ILYOLRWIPAGYFR-CQSZACIVSA-N 0 1 388.443 3.664 20 5 GHBDMN CCOc1ccc2c(c1)c(=N)c1ccc(N)cc1n2C(=O)[C@@H]1C[C@]12CCCOC2 ZINC001183722952 912756627 /nfs/dbraw/zinc/75/66/27/912756627.db2.gz GPNGXCIJVMCYBD-MBSDFSHPSA-N 0 1 391.471 3.712 20 5 GHBDMN CCN(C(=O)c1n[nH]c(C)c1[N+](=O)[O-])[C@@H](c1ccc(Cl)cc1)c1ccccn1 ZINC000498329622 884065118 /nfs/dbraw/zinc/06/51/18/884065118.db2.gz KJFDPOINBGHLKC-SFHVURJKSA-N 0 1 399.838 3.926 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](C)N(Cc3ccccc3)[C@@H](C)[C@@H]2C)c1 ZINC001130458423 884263690 /nfs/dbraw/zinc/26/36/90/884263690.db2.gz MXUCIXVQRBZXNC-ULQDDVLXSA-N 0 1 397.475 3.727 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000153481119 885817472 /nfs/dbraw/zinc/81/74/72/885817472.db2.gz RTCGHNFORIFUGY-MSOLQXFVSA-N 0 1 383.492 3.975 20 5 GHBDMN CC(C)[C@@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC001131238789 886238863 /nfs/dbraw/zinc/23/88/63/886238863.db2.gz HGDYCIDPPGGFMV-QFIPXVFZSA-N 0 1 395.503 3.896 20 5 GHBDMN COc1c(Cl)cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000442359511 886411096 /nfs/dbraw/zinc/41/10/96/886411096.db2.gz ZVWYFYOBDXQGEH-UHFFFAOYSA-N 0 1 377.205 3.711 20 5 GHBDMN CC(C)(C)OC(=O)NCC12CCC(CC1)CN2Cc1ccc([N+](=O)[O-])cc1 ZINC000809568090 887548795 /nfs/dbraw/zinc/54/87/95/887548795.db2.gz GUZMIOZRWIKVHD-UHFFFAOYSA-N 0 1 375.469 3.864 20 5 GHBDMN COc1ccc(C[C@H](C)CN(C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1 ZINC000153325619 887653118 /nfs/dbraw/zinc/65/31/18/887653118.db2.gz TZGYKUDWHQTHMZ-HNNXBMFYSA-N 0 1 396.447 3.964 20 5 GHBDMN Cc1nc2ccccc2n1C1CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 ZINC000794677145 887749095 /nfs/dbraw/zinc/74/90/95/887749095.db2.gz AXTLGDQRRHNYQY-UHFFFAOYSA-N 0 1 390.447 3.897 20 5 GHBDMN CCCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@@H]1CCc2ccccc21 ZINC000532935159 889378544 /nfs/dbraw/zinc/37/85/44/889378544.db2.gz OMMLVDSEPQUTIJ-LJQANCHMSA-N 0 1 383.448 3.941 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(OCc2ccccc2)nc1 ZINC000533007480 889511818 /nfs/dbraw/zinc/51/18/18/889511818.db2.gz LRRNQXFLTKSNFI-UHFFFAOYSA-N 0 1 399.428 3.678 20 5 GHBDMN CC(C)(C)N1CC[C@@](F)(C(=O)OCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000811444901 889601424 /nfs/dbraw/zinc/60/14/24/889601424.db2.gz NFHNEYUAQDCRJC-IBGZPJMESA-N 0 1 391.399 3.506 20 5 GHBDMN O=[N+]([O-])c1cccc([C@H](O)CN2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)c1 ZINC000154199536 890272682 /nfs/dbraw/zinc/27/26/82/890272682.db2.gz VNWGUIYQLCSNHT-UXHICEINSA-N 0 1 390.867 3.727 20 5 GHBDMN C[C@@H](N[C@H](C)c1ccc(C(F)(F)F)nc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000871934502 891091373 /nfs/dbraw/zinc/09/13/73/891091373.db2.gz HRYYMQIUTWDXQJ-GHMZBOCLSA-N 0 1 382.342 3.686 20 5 GHBDMN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1ccc(Cn2cncn2)cc1 ZINC000872021408 891120530 /nfs/dbraw/zinc/12/05/30/891120530.db2.gz QJAZFQXCBWOQON-CQSZACIVSA-N 0 1 383.477 3.807 20 5 GHBDMN CN(C)[C@H](CNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1cccs1 ZINC000813370314 891553278 /nfs/dbraw/zinc/55/32/78/891553278.db2.gz FDZPVTIZHQMCSX-GFCCVEGCSA-N 0 1 388.276 3.996 20 5 GHBDMN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000026356646 892541956 /nfs/dbraw/zinc/54/19/56/892541956.db2.gz MOCUEZSRJZSYRU-QGZVFWFLSA-N 0 1 399.516 3.810 20 5 GHBDMN Cn1cc(CN2CC(Cc3ccc(F)c(F)c3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000459636128 893950295 /nfs/dbraw/zinc/95/02/95/893950295.db2.gz ZTMHUPMIOVAQND-UHFFFAOYSA-N 0 1 398.413 3.948 20 5 GHBDMN C[C@@H](N[C@@H]1CCCN(c2ccccc2Cl)C1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815583911 894023204 /nfs/dbraw/zinc/02/32/04/894023204.db2.gz QZLBWJLTWSDBMF-MLGOLLRUSA-N 0 1 388.855 3.677 20 5 GHBDMN C[C@@H](Cc1cccc(F)c1)N(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000459773949 894175523 /nfs/dbraw/zinc/17/55/23/894175523.db2.gz VOOYJTFONPMONU-LBPRGKRZSA-N 0 1 379.819 3.889 20 5 GHBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCC[C@H](CO)CC2)cc1OC ZINC000563901496 894308040 /nfs/dbraw/zinc/30/80/40/894308040.db2.gz FQCKCZQZXZLJAZ-HOTGVXAUSA-N 0 1 380.485 3.623 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCc2nc(C3CCCCC3)[nH]c2C1 ZINC000816398192 894767487 /nfs/dbraw/zinc/76/74/87/894767487.db2.gz XLZSMMSOUGZZTQ-CQSZACIVSA-N 0 1 398.463 3.662 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCc2nc(C3CCCCC3)[nH]c2C1 ZINC000816398191 894767979 /nfs/dbraw/zinc/76/79/79/894767979.db2.gz XLZSMMSOUGZZTQ-AWEZNQCLSA-N 0 1 398.463 3.662 20 5 GHBDMN CCc1nc(COC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)n[nH]1 ZINC000760304374 895144702 /nfs/dbraw/zinc/14/47/02/895144702.db2.gz VFJZXHRFWYRLQX-UHFFFAOYSA-N 0 1 390.465 3.915 20 5 GHBDMN CC[C@H](CN[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)OC ZINC000565276381 895496964 /nfs/dbraw/zinc/49/69/64/895496964.db2.gz PDAPZKVPCQSUEP-QAPCUYQASA-N 0 1 391.855 3.943 20 5 GHBDMN CCc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2COC)cc1[N+](=O)[O-] ZINC000565422678 895613652 /nfs/dbraw/zinc/61/36/52/895613652.db2.gz SVNMOOZVNFLQOO-UHFFFAOYSA-N 0 1 384.841 3.758 20 5 GHBDMN C[C@H]1C[C@@H]1c1ccc(CNS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)o1 ZINC001185616395 913993086 /nfs/dbraw/zinc/99/30/86/913993086.db2.gz ZHKWPIKPTKVDMD-KWQFWETISA-N 0 1 388.804 3.582 20 5 GHBDMN C[C@H]1CCC[N@@H+](Cc2ccc(CNc3ncc(C(=O)[O-])cc3[N+](=O)[O-])cc2)C1 ZINC000567113548 896884453 /nfs/dbraw/zinc/88/44/53/896884453.db2.gz CSGHVODGAULPTI-AWEZNQCLSA-N 0 1 384.436 3.532 20 5 GHBDMN COc1ccccc1CN(C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)C1CC1 ZINC001136318932 897236573 /nfs/dbraw/zinc/23/65/73/897236573.db2.gz XGHKPYBRWMEQFP-UHFFFAOYSA-N 0 1 392.415 3.798 20 5 GHBDMN O=C(N[C@H]1CCC[C@H](c2nc3ccccc3[nH]2)C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000569461191 898684406 /nfs/dbraw/zinc/68/44/06/898684406.db2.gz VOAWSXHXINVHDV-JSGCOSHPSA-N 0 1 380.404 3.633 20 5 GHBDMN CN(Cc1ccc(Br)cc1[N+](=O)[O-])C[C@@](C)(O)c1ccccc1 ZINC000823605424 899129157 /nfs/dbraw/zinc/12/91/57/899129157.db2.gz KJVYIWGTJYEJFS-QGZVFWFLSA-N 0 1 379.254 3.697 20 5 GHBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(n2cc(Br)cn2)CC1 ZINC000332470676 899693458 /nfs/dbraw/zinc/69/34/58/899693458.db2.gz SNTFEGFWLMQDDA-LBPRGKRZSA-N 0 1 379.258 3.952 20 5 GHBDMN CC(C)(C)O[C@@H]1C[C@@H](NCc2cc(Cl)ccc2[N+](=O)[O-])[C@@H]1n1cccn1 ZINC000825118951 899991227 /nfs/dbraw/zinc/99/12/27/899991227.db2.gz ZOUFRUHSMPDWMI-OIISXLGYSA-N 0 1 378.860 3.732 20 5 GHBDMN Cc1cc(Cl)c([N+](=O)[O-])cc1NS(=O)(=O)c1cccc2c1OCCC2 ZINC000844654150 901112621 /nfs/dbraw/zinc/11/26/21/901112621.db2.gz GSDZKUVCSZZJCS-UHFFFAOYSA-N 0 1 382.825 3.682 20 5 GHBDMN CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000575353884 901207225 /nfs/dbraw/zinc/20/72/25/901207225.db2.gz GQSPILOQRCBRCF-QFIPXVFZSA-N 0 1 379.460 3.900 20 5 GHBDMN COC1CCN(C(C)(C)CN[C@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)CC1 ZINC000576352060 901968872 /nfs/dbraw/zinc/96/88/72/901968872.db2.gz JXEFZIIKLAFQNN-MRXNPFEDSA-N 0 1 389.418 3.677 20 5 GHBDMN C[C@H](C(=O)NCCN1CC=C(C(C)(C)C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000576366825 901975269 /nfs/dbraw/zinc/97/52/69/901975269.db2.gz GWICTRKOHJQDOF-AWEZNQCLSA-N 0 1 377.460 3.632 20 5 GHBDMN COc1cc(CN(Cc2ccccc2)C[C@@H](O)c2ccco2)ccc1[N+](=O)[O-] ZINC000778948999 902118761 /nfs/dbraw/zinc/11/87/61/902118761.db2.gz VQXVJKHYMHKLPH-LJQANCHMSA-N 0 1 382.416 3.932 20 5 GHBDMN COc1ccc(CN[C@H](C)c2ccc(NC(=O)NC(C)C)cc2)cc1[N+](=O)[O-] ZINC000264385860 903059163 /nfs/dbraw/zinc/05/91/63/903059163.db2.gz XZDZAYBJVQGVAN-CQSZACIVSA-N 0 1 386.452 3.984 20 5 GHBDMN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H](c2ccccc2)c2ccc3nc[nH]c3c2)n1 ZINC001146612831 903572011 /nfs/dbraw/zinc/57/20/11/903572011.db2.gz UOSJJGXAGKMEAT-FQEVSTJZSA-N 0 1 387.399 3.694 20 5 GHBDMN CC[C@@H](C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])N(C)Cc1ccccc1 ZINC000578735707 904089704 /nfs/dbraw/zinc/08/97/04/904089704.db2.gz XYXRAQDMMDIUJE-SFHVURJKSA-N 0 1 389.883 3.818 20 5 GHBDMN Cn1cc(CN2CC3(CCC3)[C@H]2[C@H]2CCCO2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000290905323 914864321 /nfs/dbraw/zinc/86/43/21/914864321.db2.gz MLLNAOUOZTVWJB-UYAOXDASSA-N 0 1 382.464 3.529 20 5 GHBDMN CC[S@](=O)[C@@H]1CCC[C@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000175863445 905687596 /nfs/dbraw/zinc/68/75/96/905687596.db2.gz QOHQJAQULDJSSJ-CHLCXMBXSA-N 0 1 393.534 3.888 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2C[C@@H](CF)[C@H](C(F)(F)F)C2)c1F ZINC001173178317 906256761 /nfs/dbraw/zinc/25/67/61/906256761.db2.gz ARPAKNZIMURHLV-CKYFFXLPSA-N 0 1 382.329 3.753 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C[C@@H](C)NCc2cn(Cc3ccccc3)cn2)c1F ZINC001173178716 906257287 /nfs/dbraw/zinc/25/72/87/906257287.db2.gz HTEPUIXHBPDPOR-OAHLLOKOSA-N 0 1 398.438 3.708 20 5 GHBDMN COc1ccc(F)c(CN[C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])c1F ZINC001173190171 906271261 /nfs/dbraw/zinc/27/12/61/906271261.db2.gz UZXLJPSXVTVJSV-SNVBAGLBSA-N 0 1 384.354 3.750 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CCC[C@H]2CC(=O)OC(C)(C)C)c1F ZINC001173192079 906275486 /nfs/dbraw/zinc/27/54/86/906275486.db2.gz HZYLEBOUPCUDLV-KGLIPLIRSA-N 0 1 396.459 3.870 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CCC[C@H](Oc3ccncc3)C2)c1F ZINC001173193007 906278116 /nfs/dbraw/zinc/27/81/16/906278116.db2.gz NRSLHKRZKTUIHM-HOCLYGCPSA-N 0 1 389.427 3.612 20 5 GHBDMN COc1ccc(OC)c(NC(=O)[C@H](C)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000178689604 906372387 /nfs/dbraw/zinc/37/23/87/906372387.db2.gz RQUQYHUGUUKDAU-KBPBESRZSA-N 0 1 387.436 3.598 20 5 GHBDMN Cc1ccc([C@@H](C)NCc2ccccc2OCC(=O)NCC2CC2)cc1[N+](=O)[O-] ZINC000180277496 906735174 /nfs/dbraw/zinc/73/51/74/906735174.db2.gz GNIFIXUKGIERNZ-MRXNPFEDSA-N 0 1 397.475 3.659 20 5 GHBDMN CCOc1ccc(NC(=O)CN2CCC[C@@H](C3CCCC3)C2)c([N+](=O)[O-])c1 ZINC001176932480 908306663 /nfs/dbraw/zinc/30/66/63/908306663.db2.gz LGZCRNZWMMLDKH-MRXNPFEDSA-N 0 1 375.469 3.834 20 5 GHBDMN Cc1cc(C)n(-c2ccc(CN[C@H]3CCCc4ccc([N+](=O)[O-])cc43)cn2)n1 ZINC000192690899 908815357 /nfs/dbraw/zinc/81/53/57/908815357.db2.gz OLZKCJSPSHPUQW-FQEVSTJZSA-N 0 1 377.448 3.960 20 5 GHBDMN COc1cc(CN[C@H](C)c2cnn(C)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000266127243 909014649 /nfs/dbraw/zinc/01/46/49/909014649.db2.gz BXLHBCTUZJIWPV-OAHLLOKOSA-N 0 1 396.447 3.767 20 5 GHBDMN O=[N+]([O-])c1cccc(Br)c1CNC[C@H](O)Cc1cccc(Cl)c1 ZINC001179502567 909572671 /nfs/dbraw/zinc/57/26/71/909572671.db2.gz SSSOPAHBTUCWEX-CYBMUJFWSA-N 0 1 399.672 3.704 20 5 GHBDMN COc1ccc(CN2CCC[C@@H](OC)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000091772896 911270476 /nfs/dbraw/zinc/27/04/76/911270476.db2.gz ZDEAPEQLONVRSK-LJQANCHMSA-N 0 1 386.448 3.793 20 5 GHBDMN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000283088347 911366016 /nfs/dbraw/zinc/36/60/16/911366016.db2.gz LBPRFIBFWQSVEV-OAHLLOKOSA-N 0 1 387.867 3.842 20 5 GHBDMN COc1ccc(-c2noc(-c3[nH]cnc3[N+](=O)[O-])n2)cc1OCc1ccccc1 ZINC001212893145 911370902 /nfs/dbraw/zinc/37/09/02/911370902.db2.gz OGFFAFRJYDSDNH-UHFFFAOYSA-N 0 1 393.359 3.623 20 5 GHBDMN CC[C@@H](N[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1ccccc1OC ZINC000775080345 914988618 /nfs/dbraw/zinc/98/86/18/914988618.db2.gz LRMSTLHHPCXQEG-XJKSGUPXSA-N 0 1 387.436 3.680 20 5 GHBDMN C[C@@H]1C[C@H](c2ccc(F)cc2)CN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000303705063 915062858 /nfs/dbraw/zinc/06/28/58/915062858.db2.gz BQELCYSPXPPANA-PBHICJAKSA-N 0 1 383.423 3.501 20 5 GHBDMN CN(C)Cc1cc(CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)ccc1F ZINC000294460978 916814401 /nfs/dbraw/zinc/81/44/01/916814401.db2.gz WECAZYQWDFLWCY-UHFFFAOYSA-N 0 1 399.344 3.744 20 5 GHBDMN O=C(C[N@H+]1CCC[C@H]1CCCc1ccccc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001192214429 918542640 /nfs/dbraw/zinc/54/26/40/918542640.db2.gz OVAQGURQEPPGAR-HXUWFJFHSA-N 0 1 393.487 3.971 20 5 GHBDMN CN(C(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1)[C@H]1CCCN(C)C1 ZINC000119130462 919605575 /nfs/dbraw/zinc/60/55/75/919605575.db2.gz VCNHVKGHQSMNGZ-HNNXBMFYSA-N 0 1 377.510 3.796 20 5 GHBDMN Cc1cc(Br)c(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2F)s1 ZINC000800928687 920612893 /nfs/dbraw/zinc/61/28/93/920612893.db2.gz RRLODOHZRLGULH-UHFFFAOYSA-N 0 1 395.231 3.667 20 5 GHBDMN CC[C@](C)(NCCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1nc(C)cs1 ZINC000298743867 920875995 /nfs/dbraw/zinc/87/59/95/920875995.db2.gz WAIQSJLFQHFMQN-SFHVURJKSA-N 0 1 392.481 3.612 20 5 GHBDMN COc1cc([C@H](C)N[C@H](C)c2ccc(N3CCCNC3=O)cc2)cc([N+](=O)[O-])c1 ZINC000903175675 922833101 /nfs/dbraw/zinc/83/31/01/922833101.db2.gz UQVXNKJYUDNBIP-CABCVRRESA-N 0 1 398.463 3.935 20 5 GHBDMN COc1cc([C@@H](C)N[C@@H](C)c2ccc(N3CCCNC3=O)cc2)cc([N+](=O)[O-])c1 ZINC000903175678 922833186 /nfs/dbraw/zinc/83/31/86/922833186.db2.gz UQVXNKJYUDNBIP-LSDHHAIUSA-N 0 1 398.463 3.935 20 5 GHBDMN COc1ccccc1CC1CCN(Cn2nc(C)c3cc([N+](=O)[O-])cnc32)CC1 ZINC000749949186 927366035 /nfs/dbraw/zinc/36/60/35/927366035.db2.gz WJBDZPUFKGAVJH-UHFFFAOYSA-N 0 1 395.463 3.569 20 5 GHBDMN O=C(CSc1nc(C=Cc2ccccc2)n[nH]1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000012834598 927946477 /nfs/dbraw/zinc/94/64/77/927946477.db2.gz CBENLKUITQOETN-RMKNXTFCSA-N 0 1 399.407 3.753 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(OCCC(C)C)cc1 ZINC000467077223 928669511 /nfs/dbraw/zinc/66/95/11/928669511.db2.gz ZVMJVGLVZNQYPS-UHFFFAOYSA-N 0 1 394.449 3.829 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2cnn(CN(CCc3ccccc3)[C@H]3CCOC3)c2)cc1 ZINC000753100355 929204548 /nfs/dbraw/zinc/20/45/48/929204548.db2.gz NXVSGCTUJXXXDQ-QFIPXVFZSA-N 0 1 392.459 3.749 20 5 GHBDMN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000467697825 929313376 /nfs/dbraw/zinc/31/33/76/929313376.db2.gz ZOPLJDMYHGCACL-RYRKJORJSA-N 0 1 399.516 3.855 20 5 GHBDMN CCc1[nH]nc(C(=O)N2CC[C@H](c3cccc(C(F)(F)F)c3)C2)c1[N+](=O)[O-] ZINC000753512241 929383599 /nfs/dbraw/zinc/38/35/99/929383599.db2.gz LOISYKGPTJWWTR-NSHDSACASA-N 0 1 382.342 3.529 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N2CCCc3c([nH]c4c3cccc4F)C2)c1[N+](=O)[O-] ZINC000467788686 929419988 /nfs/dbraw/zinc/41/99/88/929419988.db2.gz OWHZGAQCMSSOLJ-UHFFFAOYSA-N 0 1 385.399 3.650 20 5 GHBDMN COC(=O)[C@@H]1CCN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)[C@@H]1C ZINC000470156769 930415740 /nfs/dbraw/zinc/41/57/40/930415740.db2.gz RMAAWOKHZBMDDL-CXAGYDPISA-N 0 1 388.395 3.910 20 5 GHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N(Cc1ccccc1)C[C@@H](O)c1ccsc1 ZINC000780632329 930564017 /nfs/dbraw/zinc/56/40/17/930564017.db2.gz JFGRKDMYILTXBL-LJQANCHMSA-N 0 1 398.440 3.738 20 5 GHBDMN O=[N+]([O-])c1ccc2[nH]cc(Cc3noc(-c4cc(-c5ccoc5)n[nH]4)n3)c2c1 ZINC000547193686 930785884 /nfs/dbraw/zinc/78/58/84/930785884.db2.gz IOHTWFYJZPECBU-UHFFFAOYSA-N 0 1 376.332 3.700 20 5 GHBDMN Cc1cc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(Br)c2)c(C)s1 ZINC000782263373 931146371 /nfs/dbraw/zinc/14/63/71/931146371.db2.gz JQDWFKZFKCRFQZ-UHFFFAOYSA-N 0 1 391.268 3.836 20 5 GHBDMN CN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)Cc1ccc(F)cc1Cl ZINC000782496540 931242084 /nfs/dbraw/zinc/24/20/84/931242084.db2.gz QRICBQZIKAETHB-UHFFFAOYSA-N 0 1 383.782 3.987 20 5 GHBDMN COc1ccc2c(c1)CCN(Cn1cc(-c3ccc([N+](=O)[O-])cc3)cn1)CC2 ZINC000783979949 931739955 /nfs/dbraw/zinc/73/99/55/931739955.db2.gz HCTCBSWRYMIFRE-UHFFFAOYSA-N 0 1 378.432 3.525 20 5 GHBDMN CCOc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000558772186 932225442 /nfs/dbraw/zinc/22/54/42/932225442.db2.gz HPKXGZIXPLOBSG-GOSISDBHSA-N 0 1 397.475 3.730 20 5 GHBDMN CCc1ccc([C@@H](NC[C@@H]2CCN2C2CCOCC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000927105884 932414355 /nfs/dbraw/zinc/41/43/55/932414355.db2.gz VSTDLPRWFWAJRU-UGKGYDQZSA-N 0 1 399.491 3.683 20 5 GHBDMN Cc1c(C(=O)OCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)ccc2cncn21 ZINC001116601385 933656653 /nfs/dbraw/zinc/65/66/53/933656653.db2.gz DJMXQWJVGPBLRM-UHFFFAOYSA-N 0 1 378.344 3.563 20 5 GHBDMN COc1ccc(NC(=O)CCN[C@H](C)c2c(F)cccc2F)c([N+](=O)[O-])c1 ZINC000561090861 933854966 /nfs/dbraw/zinc/85/49/66/933854966.db2.gz TWKSCCVBZVNANQ-LLVKDONJSA-N 0 1 379.363 3.561 20 5 GHBDMN O=C(CCNC1(c2ccccc2Cl)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000829484109 935816388 /nfs/dbraw/zinc/81/63/88/935816388.db2.gz QSTMPMYVPVKGKE-UHFFFAOYSA-N 0 1 377.803 3.995 20 5 GHBDMN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)c1 ZINC000829871965 935875948 /nfs/dbraw/zinc/87/59/48/935875948.db2.gz FUDLCCGWTLBKIM-ROUUACIJSA-N 0 1 386.839 3.995 20 5 GHBDMN Cc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)cc1[N+](=O)[O-] ZINC001594350146 958344059 /nfs/dbraw/zinc/34/40/59/958344059.db2.gz SWQNNXZHUQMASO-GOEBONIOSA-N 0 1 387.436 3.648 20 5 GHBDMN O=C([O-])[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@H]1c1ccc(F)cc1F ZINC001350610795 962551346 /nfs/dbraw/zinc/55/13/46/962551346.db2.gz LNYKJLYEFZNHAN-UONOGXRCSA-N 0 1 396.777 3.827 20 5 GHBDMN O=C([O-])[C@H]1c2ccccc2CC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Br ZINC001606055981 973165337 /nfs/dbraw/zinc/16/53/37/973165337.db2.gz ITQMQOICPJXNAY-MRXNPFEDSA-N 0 1 391.221 3.541 20 5 GHBDMN O=C([O-])[C@H]1c2ccccc2CC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Br ZINC001606055981 973165341 /nfs/dbraw/zinc/16/53/41/973165341.db2.gz ITQMQOICPJXNAY-MRXNPFEDSA-N 0 1 391.221 3.541 20 5 GHBDMN COc1c(C(=O)Nc2ccc3nc(-c4ccccn4)[nH]c3c2)cccc1[N+](=O)[O-] ZINC000475922514 1014621967 /nfs/dbraw/zinc/62/19/67/1014621967.db2.gz UFRDIUHCWBONJG-UHFFFAOYSA-N 0 1 389.371 3.794 20 5 GHBDMN C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001598442040 991857573 /nfs/dbraw/zinc/85/75/73/991857573.db2.gz LFTOEELMGOKHQM-GOEBONIOSA-N 0 1 399.230 3.693 20 5 GHBDMN C[C@@]([NH2+]Cc1cc(F)ccc1Br)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593292864 994679828 /nfs/dbraw/zinc/67/98/28/994679828.db2.gz QKOGNBZFMMNJMM-INIZCTEOSA-N 0 1 397.200 3.586 20 5 GHBDMN CC[NH+](CC)Cc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000468814932 1016062715 /nfs/dbraw/zinc/06/27/15/1016062715.db2.gz CVYFBCANFBTGRK-UHFFFAOYSA-N 0 1 377.466 3.546 20 5 GHBDMN COC[C@@H](C)[N@@H+](Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])[C@H]1CCc2ccccc21 ZINC001599161922 998473397 /nfs/dbraw/zinc/47/33/97/998473397.db2.gz PZTAZFMYWGTZBJ-VLIAUNLRSA-N 0 1 384.432 3.817 20 5 GHBDMN COc1cc(S(=O)(=O)Nc2ccc(OC(C)(C)C)cc2)ccc1[N+](=O)[O-] ZINC000468961149 1016276094 /nfs/dbraw/zinc/27/60/94/1016276094.db2.gz MQIAQGIRHNHLKD-UHFFFAOYSA-N 0 1 380.422 3.582 20 5 GHBDMN C[C@@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)N1CCc2ccccc2C1 ZINC000545832336 1016477249 /nfs/dbraw/zinc/47/72/49/1016477249.db2.gz JSPWOJGMNYFFHX-HNNXBMFYSA-N 0 1 399.466 3.575 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2cc(-c3nc(-c4cnc5c(c4)CCCC5)no3)[nH]n2)c1 ZINC001212995237 1032277844 /nfs/dbraw/zinc/27/78/44/1032277844.db2.gz PXDPFGOCQJXXSV-UHFFFAOYSA-N 0 1 388.387 3.976 20 5 GHBDMN COc1cc(F)c(F)cc1-c1noc(-c2cc(-c3cccc([N+](=O)[O-])c3)n[nH]2)n1 ZINC001212995195 1032277938 /nfs/dbraw/zinc/27/79/38/1032277938.db2.gz NKGIYLAXCYJTSU-UHFFFAOYSA-N 0 1 399.313 3.989 20 5 GHBDMN O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2CCN3CCc4ccccc4[C@H]3C2)c1 ZINC001155102959 1032415931 /nfs/dbraw/zinc/41/59/31/1032415931.db2.gz HKSCVQFLLSMHQC-GOSISDBHSA-N 0 1 395.850 3.611 20 5 GHBDMN Cc1ccc(C(=O)c2cc([O-])c(O[C@@H]3CCC[N@@H+](C)CC3)c([N+](=O)[O-])c2)cc1 ZINC001227699031 1032521436 /nfs/dbraw/zinc/52/14/36/1032521436.db2.gz CBHDJWIGDSPNEL-QGZVFWFLSA-N 0 1 384.432 3.703 20 5 GHBDMN Cc1ccc(C(=O)c2cc([O-])c(O[C@@H]3CCC[N@H+](C)CC3)c([N+](=O)[O-])c2)cc1 ZINC001227699031 1032521438 /nfs/dbraw/zinc/52/14/38/1032521438.db2.gz CBHDJWIGDSPNEL-QGZVFWFLSA-N 0 1 384.432 3.703 20 5 GHBDMN COc1c(C(=O)N[C@H]2CCc3nc(C4CCCCC4)[nH]c3C2)cccc1[N+](=O)[O-] ZINC001155839009 1032736391 /nfs/dbraw/zinc/73/63/91/1032736391.db2.gz MSRBCKADDBHSQO-AWEZNQCLSA-N 0 1 398.463 3.662 20 5 GHBDMN CC(C)(C)N1CCN(C(=O)c2cc(=S)cc3[nH]c4ccccc4nc2-3)CC1 ZINC001155992312 1032826301 /nfs/dbraw/zinc/82/63/01/1032826301.db2.gz UJWOAENHKVAYSB-UHFFFAOYSA-N 0 1 380.517 3.953 20 5 GHBDMN O=c1nc2cc([N+](=O)[O-])ccc2c(O[C@H]2CC=C[C@@H]2COCc2ccccc2)[nH]1 ZINC001228241483 1032859689 /nfs/dbraw/zinc/85/96/89/1032859689.db2.gz CRBYBHQLDOJLRG-BEFAXECRSA-N 0 1 393.399 3.784 20 5 GHBDMN COC[C@H](C)N(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@@H]1CCc2ccccc21 ZINC000600795538 1020262261 /nfs/dbraw/zinc/26/22/61/1020262261.db2.gz YXNPZVYKLKTYND-ORAYPTAESA-N 0 1 394.431 3.636 20 5 GHBDMN C[C@@H](NCc1ccc([N+](=O)[O-])c(F)c1)c1cc(F)ccc1N1CCC(O)CC1 ZINC000801528841 1021407558 /nfs/dbraw/zinc/40/75/58/1021407558.db2.gz KOFFTUDTSSHCNU-CYBMUJFWSA-N 0 1 391.418 3.685 20 5 GHBDMN Cc1cc([N+](=O)[O-])c(C(=O)NCC2(N3CCSCC3)CCCC2)cc1Cl ZINC000836370032 1022922621 /nfs/dbraw/zinc/92/26/21/1022922621.db2.gz OXILVVAPEKHQGF-UHFFFAOYSA-N 0 1 397.928 3.648 20 5 GHBDMN Cc1cccc([C@@H]2CCN(C(=O)c3cc(-c4ccc([N+](=O)[O-])cc4)[nH]n3)C2)c1 ZINC001138179789 1024313737 /nfs/dbraw/zinc/31/37/37/1024313737.db2.gz ZTKYFXIBSWPYNJ-QGZVFWFLSA-N 0 1 376.416 3.923 20 5 GHBDMN O=[N+]([O-])c1ccc([C@H](O)CN2CC[C@@H](c3cccc(Br)c3)C2)cc1 ZINC000831593530 1024669270 /nfs/dbraw/zinc/66/92/70/1024669270.db2.gz LRSZMFNGKQJQMD-CRAIPNDOSA-N 0 1 391.265 3.880 20 5 GHBDMN COCCN(Cc1ccc(F)c(Cl)c1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000832533932 1025662785 /nfs/dbraw/zinc/66/27/85/1025662785.db2.gz DAIGOXWMGJJFKH-SFHVURJKSA-N 0 1 382.819 3.569 20 5 GHBDMN O=[N+]([O-])c1ccc2oc(=S)n(CN3CCCC[C@@H]3[C@H]3CCC[C@@H]3O)c2c1 ZINC000840114380 1027221721 /nfs/dbraw/zinc/22/17/21/1027221721.db2.gz HOSQEFOGJPHLKR-FMKPAKJESA-N 0 1 377.466 3.845 20 5 GHBDMN Nc1ccc2n(C(=O)c3ccc4cccnc4c3O)c3ccccc3cc-2c1=O ZINC001149327688 1030133942 /nfs/dbraw/zinc/13/39/42/1030133942.db2.gz WJUQIGUWXRIJMD-UHFFFAOYSA-N 0 1 381.391 3.631 20 5 GHBDMN Cc1cc(-c2nc(-c3ccccc3N3CCN(C)CC3)no2)cc([N+](=O)[O-])c1C ZINC001217098023 1030159909 /nfs/dbraw/zinc/15/99/09/1030159909.db2.gz YFWDZTHYLVSSNB-UHFFFAOYSA-N 0 1 393.447 3.680 20 5 GHBDMN Cc1ccc(C(=O)c2cc([O-])c(O[C@H]3CC[NH2+]CC[C@H]3C)c([N+](=O)[O-])c2)cc1 ZINC001218024216 1030730056 /nfs/dbraw/zinc/73/00/56/1030730056.db2.gz MUMDJRJKMCRWGV-KUHUBIRLSA-N 0 1 384.432 3.607 20 5 GHBDMN CCCc1[nH]nc(C(=O)N2CCC[C@@H](c3ccccc3OC)CC2)c1[N+](=O)[O-] ZINC001152845316 1031377664 /nfs/dbraw/zinc/37/76/64/1031377664.db2.gz ORHKOVLGKFDIFN-CQSZACIVSA-N 0 1 386.452 3.689 20 5 GHBDMN N[C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)N[C@@H]1c2ccccc2C[C@@H]1O ZINC001219865582 1031663878 /nfs/dbraw/zinc/66/38/78/1031663878.db2.gz RIMADEUDACPNRZ-CCDWMCETSA-N 0 1 396.490 3.637 20 5 GHBDMN COc1ccc2c(c1)nc(=O)[nH]c2O[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC001229139902 1033302676 /nfs/dbraw/zinc/30/26/76/1033302676.db2.gz NXXXTJBQXUCMGC-CQSZACIVSA-N 0 1 395.293 3.935 20 5 GHBDMN CC(=O)c1cc(Br)cc([N+](=O)[O-])c1O[C@H]1CCCN(C(C)C)C1 ZINC001229233020 1033356535 /nfs/dbraw/zinc/35/65/35/1033356535.db2.gz PTKCXUKZEQDHRW-ZDUSSCGKSA-N 0 1 385.258 3.812 20 5 GHBDMN COc1cccc(-c2noc(-c3cc(-c4ccc([N+](=O)[O-])cc4)n[nH]3)n2)c1OC ZINC001213008307 1033573578 /nfs/dbraw/zinc/57/35/78/1033573578.db2.gz DVHWTMDHVWFMCA-UHFFFAOYSA-N 0 1 393.359 3.719 20 5 GHBDMN C[C@@]1(CO)CCCN(C(=O)[C@@H](N)Cc2c3ccccc3cc3ccccc32)CC1 ZINC001157900232 1033817660 /nfs/dbraw/zinc/81/76/60/1033817660.db2.gz GWFXYNNRDQOZLM-UKILVPOCSA-N 0 1 390.527 3.874 20 5 GHBDMN COC(=O)c1cc([N+](=O)[O-])c(C)cc1O[C@H]1CCCN([C@H](C)c2ccccn2)C1 ZINC001229959821 1033818573 /nfs/dbraw/zinc/81/85/73/1033818573.db2.gz GRUXQGRNIKUFLV-CVEARBPZSA-N 0 1 399.447 3.689 20 5 GHBDMN COC[C@@H]1CCCCN1C(=O)[C@@H](N)Cc1c2ccccc2cc2ccccc21 ZINC001157922498 1033824419 /nfs/dbraw/zinc/82/44/19/1033824419.db2.gz PKELXDSFJWFTSQ-CVDCTZTESA-N 0 1 376.500 3.890 20 5 GHBDMN COc1c(O)cc(O[C@@H](C[N+](=O)[O-])C2CC2)c2c(=O)cc(-c3ccccc3)oc12 ZINC001229980028 1033829582 /nfs/dbraw/zinc/82/95/82/1033829582.db2.gz MEXCULIFNHPUET-SFHVURJKSA-N 0 1 397.383 3.608 20 5 GHBDMN CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@@H](Oc1cc3[nH]ncc3cc1[N+](=O)[O-])C2 ZINC001230593976 1034138290 /nfs/dbraw/zinc/13/82/90/1034138290.db2.gz DFFYCBRFWYHEDU-WDNDVIMCSA-N 0 1 388.424 3.780 20 5 GHBDMN CNc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC001158881883 1034317426 /nfs/dbraw/zinc/31/74/26/1034317426.db2.gz HPNHAJVICROJBD-JTQLQIEISA-N 0 1 387.827 3.999 20 5 GHBDMN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1CCC[C@H]1COc1ccccc1 ZINC001158910653 1034331818 /nfs/dbraw/zinc/33/18/18/1034331818.db2.gz HWLIIRBAASTLGR-KRWDZBQOSA-N 0 1 392.415 3.669 20 5 GHBDMN COc1cc(CNC[C@@H]2CCCC(C)(C)O2)c([N+](=O)[O-])cc1OCC(F)F ZINC001207735612 1034548040 /nfs/dbraw/zinc/54/80/40/1034548040.db2.gz LQDPEBRHMWHYLW-ZDUSSCGKSA-N 0 1 388.411 3.685 20 5 GHBDMN Cc1cc(NC2CCN(CC(=O)C(C)(C)C)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC001161118383 1035147268 /nfs/dbraw/zinc/14/72/68/1035147268.db2.gz FSFYGEOOWBOOTB-UHFFFAOYSA-N 0 1 384.480 3.943 20 5 GHBDMN COc1cc(Nc2ccc([N+](=O)[O-])cc2Cl)ccc1N1CCN(C)CC1 ZINC001248611069 1035989236 /nfs/dbraw/zinc/98/92/36/1035989236.db2.gz KVCYWGVJMZFQNL-UHFFFAOYSA-N 0 1 376.844 3.752 20 5 GHBDMN COC(=O)CCSc1cc(Cl)ccc1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC001462082986 1069985279 /nfs/dbraw/zinc/98/52/79/1069985279.db2.gz RNGYHHXNVMJGSV-UHFFFAOYSA-N 0 1 384.797 3.749 20 5 GHBDMN COc1cc(OC)cc(-c2nnc(-c3cc(-c4cccc([N+](=O)[O-])c4)n[nH]3)o2)c1 ZINC001253897018 1039886742 /nfs/dbraw/zinc/88/67/42/1039886742.db2.gz HOJNQMLSPCQKAT-UHFFFAOYSA-N 0 1 393.359 3.719 20 5 GHBDMN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCC[C@](C)(NC(=O)OC(C)(C)C)C1 ZINC001254549902 1040317235 /nfs/dbraw/zinc/31/72/35/1040317235.db2.gz ADXOTNPQMMPESQ-YWZLYKJASA-N 0 1 377.485 3.905 20 5 GHBDMN C[C@H](Cc1ccccc1[N+](=O)[O-])N1C[C@@H](NC(=O)OC(C)(C)C)C2(CC2)C1 ZINC001254550460 1040318426 /nfs/dbraw/zinc/31/84/26/1040318426.db2.gz KBEINSJVCPAQEP-RHSMWYFYSA-N 0 1 375.469 3.515 20 5 GHBDMN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCN(C(=O)OC(C)(C)C)C[C@H](C)C1 ZINC001254551741 1040318782 /nfs/dbraw/zinc/31/87/82/1040318782.db2.gz FAPCLESHSQBNHC-HZPDHXFCSA-N 0 1 377.485 3.715 20 5 GHBDMN COc1cc([O-])cc2oc3cc(O)c(O[C@H]4CC[C@H]([NH+](C)C)CC4)cc3c(=O)c12 ZINC001234802477 1040333719 /nfs/dbraw/zinc/33/37/19/1040333719.db2.gz YIBYVBHICQENBK-MQMHXKEQSA-N 0 1 399.443 3.618 20 5 GHBDMN O=C(c1ccc(F)cc1F)C1CCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254602080 1040372836 /nfs/dbraw/zinc/37/28/36/1040372836.db2.gz AQQLXYGVMYFUAM-GOSISDBHSA-N 0 1 386.398 3.935 20 5 GHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC(Nc2ccccc2Cl)CC1 ZINC001255103721 1040785176 /nfs/dbraw/zinc/78/51/76/1040785176.db2.gz NWPZTEGVCJFGOS-UHFFFAOYSA-N 0 1 375.812 3.671 20 5 GHBDMN COc1cc(N2CCC(NCc3c(F)ccc(F)c3F)CC2)ccc1[N+](=O)[O-] ZINC001256085829 1041516534 /nfs/dbraw/zinc/51/65/34/1041516534.db2.gz RTOIFHFSRVLDLX-UHFFFAOYSA-N 0 1 395.381 3.779 20 5 GHBDMN O=C(Nc1nnc(-c2ccccc2)s1)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001291938446 1043537329 /nfs/dbraw/zinc/53/73/29/1043537329.db2.gz CEYVESHCJAACPN-UHFFFAOYSA-N 0 1 392.400 3.756 20 5 GHBDMN CCN(CC)[C@@H](CNC(=O)CCc1ccc([N+](=O)[O-])cc1Cl)c1ccco1 ZINC001292281309 1043662735 /nfs/dbraw/zinc/66/27/35/1043662735.db2.gz KAXBEZRJZIIUMO-KRWDZBQOSA-N 0 1 393.871 3.973 20 5 GHBDMN COc1ccc2cc(NC(=O)c3cc(-c4ccc([N+](=O)[O-])cc4)n[nH]3)ccc2n1 ZINC001292705786 1043841154 /nfs/dbraw/zinc/84/11/54/1043841154.db2.gz DJRSLWLNVZBNMD-UHFFFAOYSA-N 0 1 389.371 3.794 20 5 GHBDMN Cc1cncc([N+](=O)[O-])c1NC[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC001258125809 1044413025 /nfs/dbraw/zinc/41/30/25/1044413025.db2.gz ZRGWWVTYEPRRRF-UGSOOPFHSA-N 0 1 378.835 3.618 20 5 GHBDMN Cc1cc2cc3ccc(N(C)C)cc3nc2cc1NS(=O)(=O)C1CCOCC1 ZINC001259916261 1045334901 /nfs/dbraw/zinc/33/49/01/1045334901.db2.gz WECKSAIEZAJVRL-UHFFFAOYSA-N 0 1 399.516 3.683 20 5 GHBDMN O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1c(O)cnc2c(F)cccc21 ZINC001303180454 1047306349 /nfs/dbraw/zinc/30/63/49/1047306349.db2.gz JVRCVTTZKCGXHO-UHFFFAOYSA-N 0 1 393.334 3.630 20 5 GHBDMN Cc1ccc2occ(CC(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)n[nH]3)c2c1 ZINC001306510454 1048711563 /nfs/dbraw/zinc/71/15/63/1048711563.db2.gz YODRJMAHDHHRQG-UHFFFAOYSA-N 0 1 377.360 3.616 20 5 GHBDMN O=C(NCc1ccccc1CC(F)(F)F)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001287514929 1048803549 /nfs/dbraw/zinc/80/35/49/1048803549.db2.gz WNTUWGGVMVQEPD-UHFFFAOYSA-N 0 1 378.310 3.506 20 5 GHBDMN C[C@@H]1CN(C(C)(C)CNc2c3cccc(Cl)c3ncc2[N+](=O)[O-])C[C@@H](C)O1 ZINC001306922153 1048960676 /nfs/dbraw/zinc/96/06/76/1048960676.db2.gz GEJJSENYORFVCD-CHWSQXEVSA-N 0 1 392.887 3.518 20 5 GHBDMN CN1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H]1Cc1ccccc1 ZINC001307115718 1049084604 /nfs/dbraw/zinc/08/46/04/1049084604.db2.gz VASUTXOLTJECHI-INIZCTEOSA-N 0 1 379.382 3.977 20 5 GHBDMN CC(C)c1nc(CC2CCN(c3nccc4c3cccc4[N+](=O)[O-])CC2)n[nH]1 ZINC001307192447 1049128632 /nfs/dbraw/zinc/12/86/32/1049128632.db2.gz XHFYRDLJQRRDAK-UHFFFAOYSA-N 0 1 380.452 3.844 20 5 GHBDMN CC(C)c1nnc(CC2CCN(c3nccc4c3cccc4[N+](=O)[O-])CC2)[nH]1 ZINC001307192447 1049128638 /nfs/dbraw/zinc/12/86/38/1049128638.db2.gz XHFYRDLJQRRDAK-UHFFFAOYSA-N 0 1 380.452 3.844 20 5 GHBDMN COC(=O)/C=C\c1ccc(OCCN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC001307647419 1049473616 /nfs/dbraw/zinc/47/36/16/1049473616.db2.gz BZQBJFSRXUSECA-MLPAPPSSSA-N 0 1 396.443 3.824 20 5 GHBDMN COc1ccc(CNCc2ccc(Br)cc2[N+](=O)[O-])c(C)c1OC ZINC001308502775 1049991912 /nfs/dbraw/zinc/99/19/12/1049991912.db2.gz DJZNNOCSICDTBT-UHFFFAOYSA-N 0 1 395.253 3.973 20 5 GHBDMN O=[N+]([O-])c1ccc(CN2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c([N+](=O)[O-])c1 ZINC001327716164 1050260467 /nfs/dbraw/zinc/26/04/67/1050260467.db2.gz HZVHWIBGXFFFKF-CQSZACIVSA-N 0 1 381.392 3.759 20 5 GHBDMN CC[C@@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1ccccn1 ZINC001309603144 1050853566 /nfs/dbraw/zinc/85/35/66/1050853566.db2.gz AIBVGRBXLMNHKH-LLVKDONJSA-N 0 1 390.248 3.726 20 5 GHBDMN Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCc2ccsc2C(F)(F)F)cc1F ZINC001309739936 1050949292 /nfs/dbraw/zinc/94/92/92/1050949292.db2.gz BPJYFAQNHATQFN-UHFFFAOYSA-N 0 1 398.359 3.601 20 5 GHBDMN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc([C@@H]2CN3CCC2CC3)no1 ZINC001320496221 1055841969 /nfs/dbraw/zinc/84/19/69/1055841969.db2.gz QEUGEMSMKGJBIL-ZWNOBZJWSA-N 0 1 378.816 3.580 20 5 GHBDMN O=C(Nc1ccc2nc(CN3CCCCC3)[nH]c2c1)c1cc(F)cc([N+](=O)[O-])c1 ZINC001321651283 1056351976 /nfs/dbraw/zinc/35/19/76/1056351976.db2.gz VUVGIYMXOWXSJK-UHFFFAOYSA-N 0 1 397.410 3.848 20 5 GHBDMN O=C1[C@H](NCc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C[C@H]2CCCCN12 ZINC001324551598 1057163301 /nfs/dbraw/zinc/16/33/01/1057163301.db2.gz VQYISYZDXMVQRN-CZUORRHYSA-N 0 1 389.839 3.751 20 5 GHBDMN C[C@H](OC(=O)c1ccc(O)c(Cl)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000848950413 1057451583 /nfs/dbraw/zinc/45/15/83/1057451583.db2.gz RIVBDRNKRSATQB-QMMMGPOBSA-N 0 1 399.186 3.791 20 5 GHBDMN CN1CCN(c2ccc([N+](=O)[O-])c(NC(=O)C=C3CCC(C)(C)CC3)c2)CC1 ZINC001439683224 1058262002 /nfs/dbraw/zinc/26/20/02/1058262002.db2.gz YVYWSKAIXWQWDD-UHFFFAOYSA-N 0 1 386.496 3.812 20 5 GHBDMN CCC1(CC)[C@@H](OC)C[C@@H]1N(C)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC001446528648 1059791929 /nfs/dbraw/zinc/79/19/29/1059791929.db2.gz ADUOHQPVTJVODI-ROUUACIJSA-N 0 1 386.452 3.651 20 5 GHBDMN O=C(Nc1ccc(Oc2ccnc(Cl)n2)cc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC001451653207 1060809232 /nfs/dbraw/zinc/80/92/32/1060809232.db2.gz IBUGGIDGILRRAQ-UHFFFAOYSA-N 0 1 386.751 3.788 20 5 GHBDMN O=C(C=Cc1ccc([N+](=O)[O-])cc1)N1CCc2nc[nH]c2[C@@H]1c1ccc(F)cc1 ZINC001455314125 1062101338 /nfs/dbraw/zinc/10/13/38/1062101338.db2.gz IEEHSNCBIPLUCT-WVEJUQGRSA-N 0 1 392.390 3.645 20 5 GHBDMN CC[C@@H](c1ccccc1)N1CCN(C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC001456992985 1062941126 /nfs/dbraw/zinc/94/11/26/1062941126.db2.gz WKJXWRVLDBBAKZ-UWJYYQICSA-N 0 1 381.476 3.994 20 5 GHBDMN O=C(NC[C@@H]1CCC[N@H+]1CC1CCCCC1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001457614293 1063278475 /nfs/dbraw/zinc/27/84/75/1063278475.db2.gz SPJRHDLZZNOEMF-HNNXBMFYSA-N 0 1 395.887 3.728 20 5 GHBDMN COc1ccc(-c2n[nH]c(CNc3ccc4cnccc4c3[N+](=O)[O-])n2)cc1 ZINC001458165417 1063621178 /nfs/dbraw/zinc/62/11/78/1063621178.db2.gz MEESNGMKBXPQCL-UHFFFAOYSA-N 0 1 376.376 3.549 20 5 GHBDMN COc1ccc(-c2nc(CNc3ccc4cnccc4c3[N+](=O)[O-])n[nH]2)cc1 ZINC001458165417 1063621198 /nfs/dbraw/zinc/62/11/98/1063621198.db2.gz MEESNGMKBXPQCL-UHFFFAOYSA-N 0 1 376.376 3.549 20 5 GHBDMN CC[C@@H]1CCCC[C@@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC001463798561 1064626990 /nfs/dbraw/zinc/62/69/90/1064626990.db2.gz VIBODWAIAIIYJJ-GHMZBOCLSA-N 0 1 378.853 3.882 20 5 GHBDMN CC[C@H]1CCCC[C@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC001463798565 1064627021 /nfs/dbraw/zinc/62/70/21/1064627021.db2.gz VIBODWAIAIIYJJ-QWRGUYRKSA-N 0 1 378.853 3.882 20 5 GHBDMN COc1cccc(-c2csc(CNCCOc3ccc([N+](=O)[O-])cc3)n2)c1 ZINC001200127374 1065286598 /nfs/dbraw/zinc/28/65/98/1065286598.db2.gz SCYSJIBFLMCGJR-UHFFFAOYSA-N 0 1 385.445 3.896 20 5 GHBDMN CCC(CC)CN(CC)C(=O)Nc1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC001467370431 1067256219 /nfs/dbraw/zinc/25/62/19/1067256219.db2.gz PAWBXDYGSHIASZ-UHFFFAOYSA-N 0 1 391.516 3.637 20 5 GHBDMN CC(C)(C)O[C@H]1C[C@H](NCc2nnc(-c3ccccc3[N+](=O)[O-])o2)C12CCC2 ZINC001460437189 1068965021 /nfs/dbraw/zinc/96/50/21/1068965021.db2.gz VIGVGTPSWOOZIR-HOTGVXAUSA-N 0 1 386.452 3.861 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCCC[C@H]1CC1(O)CCCCC1 ZINC001460764464 1069164191 /nfs/dbraw/zinc/16/41/91/1069164191.db2.gz VZLCXYVMAWDSHQ-SFHVURJKSA-N 0 1 389.496 3.782 20 5 GHBDMN Cc1cc(C(=O)N[C@@H](CN(C)C)c2cccc(C(F)(F)F)c2)cc([N+](=O)[O-])c1 ZINC001470920825 1072816555 /nfs/dbraw/zinc/81/65/55/1072816555.db2.gz KQLWODQFTUZNMG-KRWDZBQOSA-N 0 1 395.381 3.955 20 5 GHBDMN Cc1ccc(C(=O)N[C@H](CN(C)C)c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC001470921680 1072817654 /nfs/dbraw/zinc/81/76/54/1072817654.db2.gz UIDYTTRNZZIIIY-MRXNPFEDSA-N 0 1 395.381 3.955 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@]3(C=Cc4ccccc4O3)C2)c1[N+](=O)[O-] ZINC001472150459 1073348043 /nfs/dbraw/zinc/34/80/43/1073348043.db2.gz IPIZVUYUPJKXEZ-FQEVSTJZSA-N 0 1 382.420 3.522 20 5 GHBDMN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1n[nH]c2nc(C(F)(F)F)ccc12 ZINC001472384771 1073458955 /nfs/dbraw/zinc/45/89/55/1073458955.db2.gz LSEMAZDGVCDAGH-UHFFFAOYSA-N 0 1 379.298 3.754 20 5 GHBDMN O=[N+]([O-])c1cc(F)ccc1CSc1nc(-c2ccc3c(c2)OCCO3)n[nH]1 ZINC001473010773 1073749951 /nfs/dbraw/zinc/74/99/51/1073749951.db2.gz YEOFPXLCAXCRKR-UHFFFAOYSA-N 0 1 388.380 3.583 20 5 GHBDMN O=[N+]([O-])c1cc(I)cc(CN2CCC[C@H]2C2CCC2)c1 ZINC001473144195 1073805816 /nfs/dbraw/zinc/80/58/16/1073805816.db2.gz JHSPFNCOEVRIEG-HNNXBMFYSA-N 0 1 386.233 3.964 20 5 GHBDMN CCCN(CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1C[C@H](OCC)C12CCCC2 ZINC001473175651 1073832672 /nfs/dbraw/zinc/83/26/72/1073832672.db2.gz NDTCUEVYLRHOEO-OALUTQOASA-N 0 1 389.496 3.983 20 5 GHBDMN COC[C@@H](C)N(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@@H]1CCc2ccccc21 ZINC001473691150 1074089488 /nfs/dbraw/zinc/08/94/88/1074089488.db2.gz DJOZADHLQLKCTA-IIBYNOLFSA-N 0 1 397.475 3.866 20 5 GHBDMN COc1ccc(NC(=O)[C@@H](C)N[C@@H](C)c2ccc(F)cc2C)c([N+](=O)[O-])c1 ZINC001473781203 1074138898 /nfs/dbraw/zinc/13/88/98/1074138898.db2.gz SNOBYRYBWSSRHS-QWHCGFSZSA-N 0 1 375.400 3.729 20 5 GHBDMN COC(=O)[C@H]1C[C@@H](C(F)(F)F)CN(C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC001474625025 1074489213 /nfs/dbraw/zinc/48/92/13/1074489213.db2.gz HJHSCPUJFZILPZ-ACCWSSFSSA-N 0 1 386.370 3.672 20 5 GHBDMN COC(=O)c1cnc([C@@H]2CCN(C/C(C)=C\c3cccc([N+](=O)[O-])c3)C2)s1 ZINC001474730750 1074537024 /nfs/dbraw/zinc/53/70/24/1074537024.db2.gz AQVIWWVPUTVFRP-JEMSNHSXSA-N 0 1 387.461 3.731 20 5 GHBDMN Cc1cc2c(o1)CC(C)(C)C[C@@H]2NS(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC001474839665 1074587656 /nfs/dbraw/zinc/58/76/56/1074587656.db2.gz PGSUWHMPOOQXSG-LBPRGKRZSA-N 0 1 384.479 3.858 20 5 GHBDMN Cc1ncc([C@@H](C)NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])s1 ZINC001475566104 1074915844 /nfs/dbraw/zinc/91/58/44/1074915844.db2.gz XQTBYDXJHYDKNH-ZCFIWIBFSA-N 0 1 396.277 3.706 20 5 GHBDMN C[C@@](CO)(Cc1ccc(F)cc1)NCc1cccc([N+](=O)[O-])c1Br ZINC001660386879 1126264128 /nfs/dbraw/zinc/26/41/28/1126264128.db2.gz CHWCXMAWOVOTDE-KRWDZBQOSA-N 0 1 397.244 3.580 20 5 GHBDMN CS(=O)(=O)c1ccc(Sc2nc3ccc(Cl)cc3[nH]2)c([N+](=O)[O-])c1 ZINC000018900656 206251378 /nfs/dbraw/zinc/25/13/78/206251378.db2.gz RUMNUGQXLPKIHE-UHFFFAOYSA-N 0 1 383.838 3.679 20 5 GHBDMN C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000833602377 605036052 /nfs/dbraw/zinc/03/60/52/605036052.db2.gz IJVYJNAVFYDXLV-XQQFMLRXSA-N 0 1 381.860 3.788 20 5 GHBDMN O=C([O-])NC[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000834224219 605572442 /nfs/dbraw/zinc/57/24/42/605572442.db2.gz HQTDUDRGVRMWAN-NSHDSACASA-N 0 1 379.800 3.598 20 5 GHBDMN Cc1cc([N+](=O)[O-])c(N2CCn3c(CN(C)C(C)C)cnc3[C@H]2C)nc1Cl ZINC001164857044 720949053 /nfs/dbraw/zinc/94/90/53/720949053.db2.gz GCNAAIUALUNLGE-CYBMUJFWSA-N 0 1 392.891 3.570 20 5 GHBDMN O=[N+]([O-])c1cc(N2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)nc2[nH]ccc21 ZINC001164994043 722205025 /nfs/dbraw/zinc/20/50/25/722205025.db2.gz DSURNBNXTCQHFZ-NRFANRHFSA-N 0 1 395.438 3.855 20 5 GHBDMN Cc1cc(C(=O)Nc2cc(Cl)ccc2N2CCN(C)CC2)cc([N+](=O)[O-])c1 ZINC000147248591 834812888 /nfs/dbraw/zinc/81/28/88/834812888.db2.gz CYTBMVWVZUCIPY-UHFFFAOYSA-N 0 1 388.855 3.561 20 5 GHBDMN O=C(c1cc([N+](=O)[O-])ccc1SCC1CCCC1)N1CCN2CCC1CC2 ZINC000188834412 837815567 /nfs/dbraw/zinc/81/55/67/837815567.db2.gz FMVPIDOXYZITKR-UHFFFAOYSA-N 0 1 389.521 3.797 20 5 GHBDMN CC(=O)c1ccc(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)cc1C ZINC000536113200 834949422 /nfs/dbraw/zinc/94/94/22/834949422.db2.gz LLKATXLBTGRERJ-UHFFFAOYSA-N 0 1 382.825 3.868 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1CN1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000430201761 835045619 /nfs/dbraw/zinc/04/56/19/835045619.db2.gz BDPDRJODVKLHPK-UHFFFAOYSA-N 0 1 387.411 3.593 20 5 GHBDMN O=C(Nc1ccc2nc[nH]c2c1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000511308928 835172869 /nfs/dbraw/zinc/17/28/69/835172869.db2.gz RRMZUSXJCMWKGV-UHFFFAOYSA-N 0 1 380.282 3.665 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1CNC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000430225576 835246534 /nfs/dbraw/zinc/24/65/34/835246534.db2.gz YMKHQKVBMQZGGV-UHFFFAOYSA-N 0 1 384.432 3.934 20 5 GHBDMN COc1cc(CN2CC[C@H](Cc3ccncc3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000611983764 835299346 /nfs/dbraw/zinc/29/93/46/835299346.db2.gz IOIVQPUQLFNJBP-CQSZACIVSA-N 0 1 393.390 3.664 20 5 GHBDMN CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2cc(CN(C)C)ccn2)CC1 ZINC000176943809 835338922 /nfs/dbraw/zinc/33/89/22/835338922.db2.gz OSWFTINLOYPGRO-UHFFFAOYSA-N 0 1 397.479 3.540 20 5 GHBDMN O=C1C[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)[C@@H]2CCCCN12 ZINC000509404750 835562553 /nfs/dbraw/zinc/56/25/53/835562553.db2.gz RBLXBIRUWKCSBD-IRXDYDNUSA-N 0 1 389.839 3.751 20 5 GHBDMN O=C(CCn1cc([N+](=O)[O-])cn1)Nc1ccc2nc(-c3ccc(F)cc3)[nH]c2c1 ZINC000065780800 835567928 /nfs/dbraw/zinc/56/79/28/835567928.db2.gz WCPOLWZQWOHMST-UHFFFAOYSA-N 0 1 394.366 3.503 20 5 GHBDMN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CCC(c2cnc[nH]2)CC1 ZINC000364277559 835938725 /nfs/dbraw/zinc/93/87/25/835938725.db2.gz CRRXCPSRLMBNMT-UHFFFAOYSA-N 0 1 383.330 3.748 20 5 GHBDMN COc1ccc(NC(=O)CN[C@@H](C)c2cccc(OC(C)C)c2)c([N+](=O)[O-])c1 ZINC000179683358 835949611 /nfs/dbraw/zinc/94/96/11/835949611.db2.gz QYDICZLLXWOOMZ-AWEZNQCLSA-N 0 1 387.436 3.680 20 5 GHBDMN CCS(=O)(=O)c1ccc(CNc2cc(C)nc3ccc([N+](=O)[O-])cc32)cc1 ZINC000302060037 861190416 /nfs/dbraw/zinc/19/04/16/861190416.db2.gz BZBLPEWXXOWMFJ-UHFFFAOYSA-N 0 1 385.445 3.857 20 5 GHBDMN O=C(CN[C@H](c1ccccc1)C1(CO)CCCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000412017449 836377715 /nfs/dbraw/zinc/37/77/15/836377715.db2.gz ZIAYYYSGOPPTDX-OAQYLSRUSA-N 0 1 397.475 3.807 20 5 GHBDMN COc1cc(C[N@H+]2CCC3(CCOCC3)[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000612540301 836378247 /nfs/dbraw/zinc/37/82/47/836378247.db2.gz MAYMCEXCHRTZBW-GFCCVEGCSA-N 0 1 386.395 3.596 20 5 GHBDMN O=C(Nc1nc(-c2ccccc2Cl)n[nH]1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001125345829 837043817 /nfs/dbraw/zinc/04/38/17/837043817.db2.gz UWTJSMUKKNBSTD-UONOGXRCSA-N 0 1 383.795 3.776 20 5 GHBDMN COc1cccc([C@@H]2[C@H](NC(=O)Nc3cccc([N+](=O)[O-])c3)CCN2C2CC2)c1 ZINC000180067325 837064585 /nfs/dbraw/zinc/06/45/85/837064585.db2.gz FXDQKIHNLXJDEA-WOJBJXKFSA-N 0 1 396.447 3.703 20 5 GHBDMN Cc1cc(NC(=O)CN[C@H](C)c2cccc([N+](=O)[O-])c2)n(-c2ccc(C)cc2)n1 ZINC000180397490 837222317 /nfs/dbraw/zinc/22/23/17/837222317.db2.gz NJKBFJMCWCHWAA-MRXNPFEDSA-N 0 1 393.447 3.687 20 5 GHBDMN O=C([O-])C[N@@H+](CC1CC1)C1CC(Nc2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000416439468 839221292 /nfs/dbraw/zinc/22/12/92/839221292.db2.gz QFGWMTCIAQRMPJ-UHFFFAOYSA-N 0 1 388.251 3.641 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000472715432 839248952 /nfs/dbraw/zinc/24/89/52/839248952.db2.gz RNYWGWAKNMFPSJ-SFHVURJKSA-N 0 1 398.463 3.732 20 5 GHBDMN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)CC1(O)CCCCCC1 ZINC000187347461 839440386 /nfs/dbraw/zinc/44/03/86/839440386.db2.gz ODNBVZRIBUMNSO-ZDUSSCGKSA-N 0 1 383.876 3.592 20 5 GHBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCC[C@@H](CO)[C@H]2C)cc1OC ZINC000412086919 839482612 /nfs/dbraw/zinc/48/26/12/839482612.db2.gz OSWNXAYPYFVHMY-XHSDSOJGSA-N 0 1 380.485 3.621 20 5 GHBDMN Cc1cc(N[C@H](C)Cn2ncc3ccccc3c2=O)c2cc([N+](=O)[O-])ccc2n1 ZINC000302062001 861191497 /nfs/dbraw/zinc/19/14/97/861191497.db2.gz CSLGZKNAFCEJKW-CQSZACIVSA-N 0 1 389.415 3.662 20 5 GHBDMN Cc1nc(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)oc1-c1ccc(Cl)cc1 ZINC000476991845 840431554 /nfs/dbraw/zinc/43/15/54/840431554.db2.gz DEMYUFJYCCEOFA-UHFFFAOYSA-N 0 1 387.779 3.847 20 5 GHBDMN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](NC[C@@H]1CCCO1)c1ccccc1 ZINC000021818386 840513056 /nfs/dbraw/zinc/51/30/56/840513056.db2.gz NROLADMKVGYSAH-YJBOKZPZSA-N 0 1 389.839 3.697 20 5 GHBDMN Cc1cc(NCC[N@@H+]2CCc3c(Cl)cccc3C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000580957203 840520688 /nfs/dbraw/zinc/52/06/88/840520688.db2.gz NJLSSPOEDPFVOH-UHFFFAOYSA-N 0 1 389.839 3.725 20 5 GHBDMN Cc1cc(NCC[N@H+]2CCc3c(Cl)cccc3C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000580957203 840520695 /nfs/dbraw/zinc/52/06/95/840520695.db2.gz NJLSSPOEDPFVOH-UHFFFAOYSA-N 0 1 389.839 3.725 20 5 GHBDMN C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1ccc(Cl)s1 ZINC000176151467 844559524 /nfs/dbraw/zinc/55/95/24/844559524.db2.gz BNMIJMPXKWLVQV-MRVPVSSYSA-N 0 1 377.813 3.837 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCC(=O)Nc1ccc(Br)cc1 ZINC000610805076 844561493 /nfs/dbraw/zinc/56/14/93/844561493.db2.gz KXWGHORABRUEDB-LBPRGKRZSA-N 0 1 392.253 3.955 20 5 GHBDMN O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)CCCC2 ZINC000417326284 840728596 /nfs/dbraw/zinc/72/85/96/840728596.db2.gz ROZVILDTJQHVCL-QHCPKHFHSA-N 0 1 395.503 3.984 20 5 GHBDMN O=C(N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000511842687 840914229 /nfs/dbraw/zinc/91/42/29/840914229.db2.gz LSVPRLUXJXYTRE-INIZCTEOSA-N 0 1 393.365 3.618 20 5 GHBDMN O=[N+]([O-])c1cccc2c1CCN(Cc1nc3ccc(Br)cc3[nH]1)C2 ZINC000548161067 841189536 /nfs/dbraw/zinc/18/95/36/841189536.db2.gz ZQEKHTAUOSETFY-UHFFFAOYSA-N 0 1 387.237 3.792 20 5 GHBDMN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1n[nH]c(C(C)(C)C)n1 ZINC000458025497 841401994 /nfs/dbraw/zinc/40/19/94/841401994.db2.gz KKDREVIYTKDQPM-UHFFFAOYSA-N 0 1 391.497 3.833 20 5 GHBDMN CCc1nsc(N2CCCN(c3cc(C)nc4ccc([N+](=O)[O-])cc43)CC2)n1 ZINC000302194464 861236444 /nfs/dbraw/zinc/23/64/44/861236444.db2.gz SCXRMQIFHQIQNX-UHFFFAOYSA-N 0 1 398.492 3.582 20 5 GHBDMN Cc1nn(C)c(C(=O)Nc2ccc(-c3nc4ccc(F)cc4[nH]3)cc2)c1[N+](=O)[O-] ZINC000105985994 841843313 /nfs/dbraw/zinc/84/33/13/841843313.db2.gz XWSXXEUFGJRRHS-UHFFFAOYSA-N 0 1 394.366 3.571 20 5 GHBDMN CN(C)[C@H](CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccsc1 ZINC000489831475 861254105 /nfs/dbraw/zinc/25/41/05/861254105.db2.gz BGAIXZCMQKULAP-GOSISDBHSA-N 0 1 388.493 3.633 20 5 GHBDMN C[C@H](N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000279229546 842741020 /nfs/dbraw/zinc/74/10/20/842741020.db2.gz IZRDTDVRDLIGID-SJWGOKEGSA-N 0 1 384.436 3.643 20 5 GHBDMN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1 ZINC000279251136 842760193 /nfs/dbraw/zinc/76/01/93/842760193.db2.gz HCQFTRVTBDNRFT-QGZVFWFLSA-N 0 1 396.403 3.974 20 5 GHBDMN Cc1ccc(N2CCCN(Cn3cc(-c4ccc([N+](=O)[O-])cc4)cn3)CC2)cc1 ZINC000728899308 842812534 /nfs/dbraw/zinc/81/25/34/842812534.db2.gz RHUJSNAVSNOBJS-UHFFFAOYSA-N 0 1 391.475 3.937 20 5 GHBDMN O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccc(Cl)cc2Br)cc1 ZINC000500474181 843511849 /nfs/dbraw/zinc/51/18/49/843511849.db2.gz ZHXKINWNTORQPZ-UHFFFAOYSA-N 0 1 391.630 3.812 20 5 GHBDMN COc1cc(C)c([C@@H](C)N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000056154166 861436951 /nfs/dbraw/zinc/43/69/51/861436951.db2.gz UOWSWQYBHNLAPU-KGLIPLIRSA-N 0 1 387.436 3.598 20 5 GHBDMN Cc1nc(-c2ccccc2)[nH]c1C(=O)O[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000759945224 843697433 /nfs/dbraw/zinc/69/74/33/843697433.db2.gz TWGOWICVBQJJAW-JKSUJKDBSA-N 0 1 395.419 3.831 20 5 GHBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@H](O)C23CCCC3)cc1OC ZINC000433297421 843994880 /nfs/dbraw/zinc/99/48/80/843994880.db2.gz LFCKMOBNCHCGID-YWZLYKJASA-N 0 1 392.496 3.908 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc2c1CN(CC(C)C)C2 ZINC000512941467 844010459 /nfs/dbraw/zinc/01/04/59/844010459.db2.gz XMLINFZFWQYWPP-UHFFFAOYSA-N 0 1 389.477 3.676 20 5 GHBDMN COc1ccc(CC2CCN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)CC2)cc1 ZINC000512609098 844724037 /nfs/dbraw/zinc/72/40/37/844724037.db2.gz DRTWISZHPILQRV-UHFFFAOYSA-N 0 1 398.459 3.925 20 5 GHBDMN CC(C)Cc1ccc(C(=O)C2CCN(CCn3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000176209607 844831114 /nfs/dbraw/zinc/83/11/14/844831114.db2.gz ABVPNGNEBJSFOR-UHFFFAOYSA-N 0 1 384.480 3.585 20 5 GHBDMN NC(=O)c1ccc(NC[C@H](c2cccc(Cl)c2)N2CCCC2)c([N+](=O)[O-])c1 ZINC000513169701 844976624 /nfs/dbraw/zinc/97/66/24/844976624.db2.gz CHIQHBDZXQUWCP-GOSISDBHSA-N 0 1 388.855 3.596 20 5 GHBDMN COC[C@@H](C)N(CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCc2ccccc21 ZINC000599683235 861521429 /nfs/dbraw/zinc/52/14/29/861521429.db2.gz OMZCIKZTRDWEDB-BEFAXECRSA-N 0 1 383.448 3.558 20 5 GHBDMN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@H](CC(F)(F)F)c1ccccc1 ZINC000542254682 845198924 /nfs/dbraw/zinc/19/89/24/845198924.db2.gz SYRGZDQVKQHMQK-HUUCEWRRSA-N 0 1 384.354 3.618 20 5 GHBDMN COCCN(Cc1ccc(F)cc1Cl)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000433746829 845266926 /nfs/dbraw/zinc/26/69/26/845266926.db2.gz JESIFXLTNLZFTH-UHFFFAOYSA-N 0 1 398.822 3.523 20 5 GHBDMN CCOc1ccccc1C1=CCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])CC1 ZINC000433756039 845283044 /nfs/dbraw/zinc/28/30/44/845283044.db2.gz ANUPSTMFSCVTNB-UHFFFAOYSA-N 0 1 384.436 3.770 20 5 GHBDMN O=C([C@@H]1CCCCN1Cc1ccccc1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000533841820 845443997 /nfs/dbraw/zinc/44/39/97/845443997.db2.gz XWSZXETWTCSJPX-NRFANRHFSA-N 0 1 379.460 3.534 20 5 GHBDMN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000843812708 861568810 /nfs/dbraw/zinc/56/88/10/861568810.db2.gz YVDFGTHJUUQTFD-HNNXBMFYSA-N 0 1 385.439 3.779 20 5 GHBDMN CC1(C)C[C@H](NCc2ccccc2N2CCOCC2)c2cc([N+](=O)[O-])ccc21 ZINC000433145604 845513559 /nfs/dbraw/zinc/51/35/59/845513559.db2.gz HYNJCFDPHBJHLV-FQEVSTJZSA-N 0 1 381.476 3.944 20 5 GHBDMN C[C@@H](NCCN1c2cccc3cccc(c23)S1(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000539280575 846063905 /nfs/dbraw/zinc/06/39/05/846063905.db2.gz MTXQGFFYJYUUTN-CQSZACIVSA-N 0 1 397.456 3.608 20 5 GHBDMN CNC(=O)[C@H]1CCN(Cc2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)C1 ZINC000421382450 846198976 /nfs/dbraw/zinc/19/89/76/846198976.db2.gz KSSMBEQGDJIOSA-INIZCTEOSA-N 0 1 385.489 3.622 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2ccc(CNCc3ccnc(-n4ccnc4)c3)o2)cc1 ZINC000731451346 861651909 /nfs/dbraw/zinc/65/19/09/861651909.db2.gz RITMXEVIKYPQBB-UHFFFAOYSA-N 0 1 375.388 3.725 20 5 GHBDMN CCN(CC)CC(=O)Nc1cccc(NC(=O)c2cc([N+](=O)[O-])c(C)cc2C)c1 ZINC000421537078 846317668 /nfs/dbraw/zinc/31/76/68/846317668.db2.gz ADAFTKNIYDWGEF-UHFFFAOYSA-N 0 1 398.463 3.744 20 5 GHBDMN O=C(CNC1(c2ccc(Cl)cc2)CCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000551737666 846492625 /nfs/dbraw/zinc/49/26/25/846492625.db2.gz PJUJGVQYYXLKMU-UHFFFAOYSA-N 0 1 385.851 3.806 20 5 GHBDMN C[C@H]1CN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)[C@@H](C)CN1Cc1ccccc1 ZINC000501603715 847041046 /nfs/dbraw/zinc/04/10/46/847041046.db2.gz HDHUQBUYRRNROJ-HOTGVXAUSA-N 0 1 392.459 3.811 20 5 GHBDMN COc1ccc(NC(=O)CN[C@H](c2ccc(Cl)cc2)C2CC2)c([N+](=O)[O-])c1 ZINC000050273533 847577500 /nfs/dbraw/zinc/57/75/00/847577500.db2.gz PMTGOEIJUFGZSB-IBGZPJMESA-N 0 1 389.839 3.936 20 5 GHBDMN CC[C@@H](C)c1nc([C@H](C)NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])n[nH]1 ZINC000277916014 848465502 /nfs/dbraw/zinc/46/55/02/848465502.db2.gz RBOSPAKVXFDSPZ-BDAKNGLRSA-N 0 1 385.346 3.736 20 5 GHBDMN Cc1c([C@@H](C)N[C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)cccc1[N+](=O)[O-] ZINC000161538801 848651218 /nfs/dbraw/zinc/65/12/18/848651218.db2.gz OZKYXQHFPZGXRW-LSDHHAIUSA-N 0 1 391.493 3.565 20 5 GHBDMN CC[C@H](N[C@H](C)c1cccc(S(=O)(=O)N(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000161550034 848654815 /nfs/dbraw/zinc/65/48/15/848654815.db2.gz FHKPJDNWFOFXEK-KUHUBIRLSA-N 0 1 391.493 3.647 20 5 GHBDMN O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC=C(c2ccc(Cl)c(Cl)c2)CC1 ZINC000511217111 848714427 /nfs/dbraw/zinc/71/44/27/848714427.db2.gz OHODLPXMUHGSDX-UHFFFAOYSA-N 0 1 394.258 3.853 20 5 GHBDMN O=c1ccc([N+](=O)[O-])cn1CCN1CC=C(c2ccc(Cl)c(Cl)c2)CC1 ZINC000511217111 848714432 /nfs/dbraw/zinc/71/44/32/848714432.db2.gz OHODLPXMUHGSDX-UHFFFAOYSA-N 0 1 394.258 3.853 20 5 GHBDMN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1ccnc(OC3CCOCC3)c1)CCC2 ZINC000278150344 849396793 /nfs/dbraw/zinc/39/67/93/849396793.db2.gz ABZGEINTJHEGDK-FQEVSTJZSA-N 0 1 383.448 3.715 20 5 GHBDMN COCc1cc(Cl)ccc1NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000424080378 850191633 /nfs/dbraw/zinc/19/16/33/850191633.db2.gz IBOMSIUYKCSKIX-UHFFFAOYSA-N 0 1 384.841 3.812 20 5 GHBDMN Cc1ccc(S(=O)(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cn1 ZINC000506664706 850350702 /nfs/dbraw/zinc/35/07/02/850350702.db2.gz XLZFTUMXCKPIOW-UHFFFAOYSA-N 0 1 385.401 3.891 20 5 GHBDMN CC(C)C(=O)Nc1cccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000031669283 850456320 /nfs/dbraw/zinc/45/63/20/850456320.db2.gz BBNYOHIZQIHEBI-UHFFFAOYSA-N 0 1 397.840 3.644 20 5 GHBDMN C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)[C@@H]1c1ccc(Cl)cc1 ZINC000910368458 851159275 /nfs/dbraw/zinc/15/92/75/851159275.db2.gz AQDHXEDDBAQVTR-WBVHZDCISA-N 0 1 375.812 3.804 20 5 GHBDMN O=C(N[C@H]1C[C@H]1c1ccccc1C(F)(F)F)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000505477479 851509614 /nfs/dbraw/zinc/50/96/14/851509614.db2.gz UORLLGLGSMDTSH-NHYWBVRUSA-N 0 1 390.321 3.776 20 5 GHBDMN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC=C(c2cccc(Cl)c2)CC1 ZINC000481788849 862260594 /nfs/dbraw/zinc/26/05/94/862260594.db2.gz VITKFFIGJHXSKM-GOSISDBHSA-N 0 1 388.851 3.777 20 5 GHBDMN CCCC[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000488725909 851714900 /nfs/dbraw/zinc/71/49/00/851714900.db2.gz NTZNOAQNHARJJC-INIZCTEOSA-N 0 1 396.440 3.952 20 5 GHBDMN Cc1cc([N+](=O)[O-])c(C)cc1NS(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000473765422 851879547 /nfs/dbraw/zinc/87/95/47/851879547.db2.gz ONQXIOORBDPZCL-UHFFFAOYSA-N 0 1 390.339 3.911 20 5 GHBDMN C[C@@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])c1cccc(N2CCCS2(=O)=O)c1 ZINC000266501242 851894733 /nfs/dbraw/zinc/89/47/33/851894733.db2.gz VPGMJHGSWRLORO-CABCVRRESA-N 0 1 389.477 3.547 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1CCCN([C@@H](C)c2ccccc2F)C1=O ZINC000550257397 852196269 /nfs/dbraw/zinc/19/62/69/852196269.db2.gz ZUGVMXNEDQPJDY-MGPUTAFESA-N 0 1 385.439 3.884 20 5 GHBDMN COc1ccc(CC(=O)N[C@H](C)c2nc3ccc(Cl)cc3[nH]2)cc1[N+](=O)[O-] ZINC000732542391 862344779 /nfs/dbraw/zinc/34/47/79/862344779.db2.gz QDLLFKXFJOBGRP-SNVBAGLBSA-N 0 1 388.811 3.553 20 5 GHBDMN CC[N@@H+](CCC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1)CC(C)C ZINC000436898396 852485661 /nfs/dbraw/zinc/48/56/61/852485661.db2.gz ALTFSXDZZBUAPL-UHFFFAOYSA-N 0 1 377.485 3.521 20 5 GHBDMN Cc1ccc(NC(=O)[C@H](N[C@@H]2CSC[C@@H]2C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000507221471 852687040 /nfs/dbraw/zinc/68/70/40/852687040.db2.gz KEWZMJUASYXARC-POZUXBRTSA-N 0 1 385.489 3.924 20 5 GHBDMN Cc1c(Br)c(N2CCC[C@H]2CN2CCCCC2)ncc1[N+](=O)[O-] ZINC000489945310 852687811 /nfs/dbraw/zinc/68/78/11/852687811.db2.gz IMOIJHVPHSETIW-ZDUSSCGKSA-N 0 1 383.290 3.515 20 5 GHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000507314403 852773857 /nfs/dbraw/zinc/77/38/57/852773857.db2.gz OSYDNCPBKKFTCK-CQSZACIVSA-N 0 1 397.214 3.901 20 5 GHBDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])n[nH]1 ZINC000490280114 852915136 /nfs/dbraw/zinc/91/51/36/852915136.db2.gz VLYVBQVFDJBKOT-WDEREUQCSA-N 0 1 395.847 3.526 20 5 GHBDMN O=C(N[C@H](Cc1nc[nH]n1)c1ccccc1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000506389958 852941809 /nfs/dbraw/zinc/94/18/09/852941809.db2.gz UCMLETHHIADGKZ-OAHLLOKOSA-N 0 1 393.428 3.641 20 5 GHBDMN C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000518379396 853278135 /nfs/dbraw/zinc/27/81/35/853278135.db2.gz JKCHSWKMNJJEQQ-ZIAGYGMSSA-N 0 1 395.887 3.680 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1CN1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000171584715 862491716 /nfs/dbraw/zinc/49/17/16/862491716.db2.gz CPJNTNOBTBCWNJ-AWEZNQCLSA-N 0 1 393.484 3.729 20 5 GHBDMN CC(C)c1ccc(CN(C)CCn2cc(Br)cn2)cc1[N+](=O)[O-] ZINC000571006222 853710903 /nfs/dbraw/zinc/71/09/03/853710903.db2.gz ANXLDOFVBJIIQJ-UHFFFAOYSA-N 0 1 381.274 3.809 20 5 GHBDMN Cc1c([C@H](C)NCc2cccc(NC(=O)Cn3cccn3)c2)cccc1[N+](=O)[O-] ZINC000129594880 853919978 /nfs/dbraw/zinc/91/99/78/853919978.db2.gz TWSWCZVCCBLYKP-INIZCTEOSA-N 0 1 393.447 3.589 20 5 GHBDMN CC(C)c1nc([C@H]2CCCCN2c2ncc([N+](=O)[O-])cc2Br)n[nH]1 ZINC000589174145 854715923 /nfs/dbraw/zinc/71/59/23/854715923.db2.gz FKGRZANJMDTKBP-GFCCVEGCSA-N 0 1 395.261 3.725 20 5 GHBDMN CC(C)CCOc1ccccc1CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001128051945 855210904 /nfs/dbraw/zinc/21/09/04/855210904.db2.gz WBSULRJSWQYLDV-UHFFFAOYSA-N 0 1 382.420 3.826 20 5 GHBDMN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](c1cccc(OC)c1)N(C)C ZINC000184655471 855469446 /nfs/dbraw/zinc/46/94/46/855469446.db2.gz NJOJSWBEVXNPTR-DYESRHJHSA-N 0 1 399.491 3.591 20 5 GHBDMN CC(C)(CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[N@H+]1CCc2ccccc2C1 ZINC000520494682 855495502 /nfs/dbraw/zinc/49/55/02/855495502.db2.gz IJMQQKFJGQSFBM-UHFFFAOYSA-N 0 1 392.459 3.643 20 5 GHBDMN CC(C)(CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCc2ccccc2C1 ZINC000520494682 855495507 /nfs/dbraw/zinc/49/55/07/855495507.db2.gz IJMQQKFJGQSFBM-UHFFFAOYSA-N 0 1 392.459 3.643 20 5 GHBDMN COC(=O)c1c(Cl)c(N[C@@H]2CCN(C)[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000590583582 855499336 /nfs/dbraw/zinc/49/93/36/855499336.db2.gz ZGNJMPIMHPMVIJ-RDTXWAMCSA-N 0 1 389.839 3.892 20 5 GHBDMN COc1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c(C)c1OC ZINC000553960456 855706993 /nfs/dbraw/zinc/70/69/93/855706993.db2.gz AJBOYXZMEIUWIC-KGLIPLIRSA-N 0 1 387.436 3.598 20 5 GHBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000067446009 856033257 /nfs/dbraw/zinc/03/32/57/856033257.db2.gz HZFHWEYKGFDJKO-AWEZNQCLSA-N 0 1 397.431 3.735 20 5 GHBDMN CC(=O)c1ccc(N2CCC(c3ncc(C(F)(F)F)[nH]3)CC2)c([N+](=O)[O-])c1 ZINC000301428982 856056973 /nfs/dbraw/zinc/05/69/73/856056973.db2.gz PTYGZFLOGPCTHX-UHFFFAOYSA-N 0 1 382.342 3.923 20 5 GHBDMN O=C(Nc1nc(-c2cc3ccccc3o2)n[nH]1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000485128791 856128488 /nfs/dbraw/zinc/12/84/88/856128488.db2.gz YEFMYINGHGIMCA-UHFFFAOYSA-N 0 1 388.343 3.860 20 5 GHBDMN Cc1sc(C(=O)OCc2nc3ccc(Br)cc3[nH]2)cc1[N+](=O)[O-] ZINC000780528614 856266694 /nfs/dbraw/zinc/26/66/94/856266694.db2.gz HTUPHSGQRPQVMW-UHFFFAOYSA-N 0 1 396.222 3.961 20 5 GHBDMN O=[N+]([O-])c1ccc2[nH]c(CN[C@@H](c3ccccc3)C3(CO)CC=CC3)nc2c1 ZINC000592177669 856762209 /nfs/dbraw/zinc/76/22/09/856762209.db2.gz NEAVSFXATSGSFP-FQEVSTJZSA-N 0 1 378.432 3.631 20 5 GHBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN(C)C[C@H]2CCC[C@@H]2O)cc1OC ZINC000542915784 856784974 /nfs/dbraw/zinc/78/49/74/856784974.db2.gz OOOKLXCCYBRIBM-DAYGRLMNSA-N 0 1 380.485 3.621 20 5 GHBDMN O=C(Nc1nnc(SCc2ccccc2)s1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000427910227 856868636 /nfs/dbraw/zinc/86/86/36/856868636.db2.gz ALIKZIHBBHPJQP-UHFFFAOYSA-N 0 1 388.430 3.697 20 5 GHBDMN O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3cnc(-c4ccccc4)s3)C2)nc1 ZINC000173468581 856946547 /nfs/dbraw/zinc/94/65/47/856946547.db2.gz IINKISZXCGZZDB-OAHLLOKOSA-N 0 1 381.461 3.800 20 5 GHBDMN O=[N+]([O-])c1cc(Br)cnc1Sc1nc(-c2ccccc2F)n[nH]1 ZINC000301673860 857060757 /nfs/dbraw/zinc/06/07/57/857060757.db2.gz GPTYLHMJPDZEQA-UHFFFAOYSA-N 0 1 396.201 3.828 20 5 GHBDMN C[C@H](Nc1ccc(-c2nc([C@H]3CCCN3)no2)cc1[N+](=O)[O-])c1ccccn1 ZINC000592357275 857194871 /nfs/dbraw/zinc/19/48/71/857194871.db2.gz UYHZRQAHRJXQFE-BLLLJJGKSA-N 0 1 380.408 3.637 20 5 GHBDMN Cc1cccc([N+](=O)[O-])c1C(=O)Nc1nc2ccc(Br)cc2[nH]1 ZINC000485902976 857212906 /nfs/dbraw/zinc/21/29/06/857212906.db2.gz XVZFFYXTQUCPTJ-UHFFFAOYSA-N 0 1 375.182 3.794 20 5 GHBDMN CN1CC[C@@H](Nc2ccc3cc([N+](=O)[O-])ccc3n2)[C@H]1c1ccc(F)c(F)c1 ZINC000485977132 857288215 /nfs/dbraw/zinc/28/82/15/857288215.db2.gz KBZVTLKJFMYNHH-UYAOXDASSA-N 0 1 384.386 3.700 20 5 GHBDMN Cc1[nH]ncc1CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl ZINC000485987262 857303792 /nfs/dbraw/zinc/30/37/92/857303792.db2.gz HVNBQFAZXTXUSR-UHFFFAOYSA-N 0 1 399.838 3.822 20 5 GHBDMN CCN(CC)[C@@H](CNC(=O)c1cc([N+](=O)[O-])cnc1C)c1ccccc1Cl ZINC000041904203 857314325 /nfs/dbraw/zinc/31/43/25/857314325.db2.gz KATQKNXKCHHNIB-SFHVURJKSA-N 0 1 390.871 3.765 20 5 GHBDMN CN(C)[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1cccc(F)c1 ZINC000043342967 857382830 /nfs/dbraw/zinc/38/28/30/857382830.db2.gz ANFLUNBLTJJKBS-MRXNPFEDSA-N 0 1 380.807 3.812 20 5 GHBDMN O=C(NCc1ccncc1)Nc1cccc(CNCc2cccc([N+](=O)[O-])c2)c1 ZINC000113355202 857443478 /nfs/dbraw/zinc/44/34/78/857443478.db2.gz ASYFXTVPRRRKFQ-UHFFFAOYSA-N 0 1 391.431 3.601 20 5 GHBDMN CC(C)CCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000027110755 857444135 /nfs/dbraw/zinc/44/41/35/857444135.db2.gz XAXUTHRHLFYTOF-UHFFFAOYSA-N 0 1 384.274 3.806 20 5 GHBDMN Cc1ccc([C@H](C)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)cc1[N+](=O)[O-] ZINC000246817701 857469363 /nfs/dbraw/zinc/46/93/63/857469363.db2.gz BBGKDBFHYAOTIB-ULQDDVLXSA-N 0 1 384.480 3.763 20 5 GHBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(OC)c2ncccc12 ZINC000486638997 857930315 /nfs/dbraw/zinc/93/03/15/857930315.db2.gz UBJHEZFRROBCCT-UHFFFAOYSA-N 0 1 387.417 3.515 20 5 GHBDMN C[C@]1(Cc2ccccc2F)CCCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000592681833 858027571 /nfs/dbraw/zinc/02/75/71/858027571.db2.gz UKYZEDUZKAKEPS-HXUWFJFHSA-N 0 1 382.395 3.848 20 5 GHBDMN CCN(Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)[C@H]1CCNC1=O ZINC000442961971 858271789 /nfs/dbraw/zinc/27/17/89/858271789.db2.gz JUOITKIJYTWJBT-INIZCTEOSA-N 0 1 389.839 3.751 20 5 GHBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCCc1cc(Cl)cc(Cl)c1 ZINC000521771989 858299694 /nfs/dbraw/zinc/29/96/94/858299694.db2.gz LAQSUMDVSOPARS-UHFFFAOYSA-N 0 1 393.223 3.562 20 5 GHBDMN CS(=O)(=O)C1(CNCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCCCC1 ZINC000594975053 858336438 /nfs/dbraw/zinc/33/64/38/858336438.db2.gz NVRFRAPBHHHYCS-UHFFFAOYSA-N 0 1 392.477 3.692 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC000595024056 858355248 /nfs/dbraw/zinc/35/52/48/858355248.db2.gz VFXCNBOAXDOIRS-BJOOFOGMSA-N 0 1 398.381 3.789 20 5 GHBDMN CCC[C@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000575062207 858509413 /nfs/dbraw/zinc/50/94/13/858509413.db2.gz ADWUOTIFXSLHKH-SFHVURJKSA-N 0 1 383.448 3.784 20 5 GHBDMN COc1cccc([C@@H]2C[C@@H](C)CN2CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)c1 ZINC000543181936 858757156 /nfs/dbraw/zinc/75/71/56/858757156.db2.gz RCUJGYXQKOSVDG-VFNWGFHPSA-N 0 1 395.459 3.576 20 5 GHBDMN CO[C@H](c1ccccc1Cl)[C@@H](C)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000482799430 858862967 /nfs/dbraw/zinc/86/29/67/858862967.db2.gz DIVVDUBNJBAKDB-QGHHPUGFSA-N 0 1 388.811 3.631 20 5 GHBDMN CCc1nn(C)c(N[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)c1[N+](=O)[O-] ZINC000301921203 858984077 /nfs/dbraw/zinc/98/40/77/858984077.db2.gz DNLVVPHQTJTEHX-CQSZACIVSA-N 0 1 397.401 3.596 20 5 GHBDMN CCCc1noc(C2CCN([C@H](C)Cc3ccc(OC)cc3[N+](=O)[O-])CC2)n1 ZINC001170352900 881387424 /nfs/dbraw/zinc/38/74/24/881387424.db2.gz UAEUPMUACNGTMX-CQSZACIVSA-N 0 1 388.468 3.750 20 5 GHBDMN COc1ccc(C[C@H](C)N2CCC(Oc3cc(C)ccn3)CC2)c([N+](=O)[O-])c1 ZINC001170353791 881387524 /nfs/dbraw/zinc/38/75/24/881387524.db2.gz DYLSCYCSHAKEIP-INIZCTEOSA-N 0 1 385.464 3.781 20 5 GHBDMN O=C(NC[C@@H]1CCN1Cc1ccccc1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000596956885 859194371 /nfs/dbraw/zinc/19/43/71/859194371.db2.gz ZNVIDMGTCZEFDY-FQEVSTJZSA-N 0 1 394.475 3.543 20 5 GHBDMN Cc1ncsc1-c1ccc(CN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1 ZINC000596978690 859208769 /nfs/dbraw/zinc/20/87/69/859208769.db2.gz APDCYWXFMJMIRD-UHFFFAOYSA-N 0 1 395.488 3.744 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2nc(CN[C@@H]3CCN(c4ncccc4F)C3)cs2)c1 ZINC000153927921 859322930 /nfs/dbraw/zinc/32/29/30/859322930.db2.gz UHBJPSUJXILTOV-CQSZACIVSA-N 0 1 399.451 3.621 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2nc(CN3C[C@H]4CN(c5ccccc5)C[C@@H]4C3)co2)cc1 ZINC000611170534 859633327 /nfs/dbraw/zinc/63/33/27/859633327.db2.gz WRTNMMIIMXDUDJ-ROUUACIJSA-N 0 1 390.443 3.818 20 5 GHBDMN CN(C)[C@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1ccsc1 ZINC000025330469 859649689 /nfs/dbraw/zinc/64/96/89/859649689.db2.gz QVYVPJBEQJEXSF-CQSZACIVSA-N 0 1 375.475 3.904 20 5 GHBDMN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](c1ccsc1)N(C)C ZINC000025330392 859649705 /nfs/dbraw/zinc/64/97/05/859649705.db2.gz BXGDVVRLGZKZNC-BLLLJJGKSA-N 0 1 379.507 3.556 20 5 GHBDMN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000597603851 859663549 /nfs/dbraw/zinc/66/35/49/859663549.db2.gz FTTCFEGKZPQSHI-DBVUQKKJSA-N 0 1 398.463 3.531 20 5 GHBDMN COc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc(OC)c1C(C)C ZINC000484073737 859788323 /nfs/dbraw/zinc/78/83/23/859788323.db2.gz JADXQURFFUEACP-UHFFFAOYSA-N 0 1 394.449 3.845 20 5 GHBDMN CO[C@@H](c1ccccc1Cl)[C@@H](C)NCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611521513 859792761 /nfs/dbraw/zinc/79/27/61/859792761.db2.gz NUQYBQNPSWCHSA-CWTRNNRKSA-N 0 1 392.839 3.885 20 5 GHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000611555501 859804231 /nfs/dbraw/zinc/80/42/31/859804231.db2.gz PYMIHIMBKGXYRD-RKDXNWHRSA-N 0 1 386.248 3.503 20 5 GHBDMN Cc1c([C@H](C)N[C@H](Cc2ccccc2)C(=O)N2CCCC2)cccc1[N+](=O)[O-] ZINC000131059135 859819971 /nfs/dbraw/zinc/81/99/71/859819971.db2.gz AJLDWDOVMODKHJ-FXAWDEMLSA-N 0 1 381.476 3.788 20 5 GHBDMN Cc1ccc([N+](=O)[O-])c(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)c1C ZINC000895787821 859941548 /nfs/dbraw/zinc/94/15/48/859941548.db2.gz URFMLUSJRBHIHJ-UHFFFAOYSA-N 0 1 385.439 3.745 20 5 GHBDMN CCC[C@H](N[C@H](C)c1cccc(S(=O)(=O)NC)c1)c1cccc([N+](=O)[O-])c1 ZINC000161452347 859977794 /nfs/dbraw/zinc/97/77/94/859977794.db2.gz UXVWACATJUCNQD-KUHUBIRLSA-N 0 1 391.493 3.695 20 5 GHBDMN CC[C@@H](NCc1cccc(C(=O)NC[C@@H]2CCCO2)c1)c1cccc([N+](=O)[O-])c1 ZINC000154248461 860032902 /nfs/dbraw/zinc/03/29/02/860032902.db2.gz QRBRAINWHYFPAE-LEWJYISDSA-N 0 1 397.475 3.745 20 5 GHBDMN O=C(Nc1cc(F)cc(Cl)c1O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000474437216 860098463 /nfs/dbraw/zinc/09/84/63/860098463.db2.gz HDPUPKCLZVTNSK-UHFFFAOYSA-N 0 1 376.731 3.531 20 5 GHBDMN O=C(Nc1cc(F)cc(Cl)c1O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000474446805 860115750 /nfs/dbraw/zinc/11/57/50/860115750.db2.gz POYBAKNKAUDQPK-UHFFFAOYSA-N 0 1 376.674 3.947 20 5 GHBDMN COC(=O)c1cc(C(C)C)ccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000060839410 860175087 /nfs/dbraw/zinc/17/50/87/860175087.db2.gz WMHNBJQMBKWNGB-UHFFFAOYSA-N 0 1 392.433 3.614 20 5 GHBDMN COc1ccc(-c2noc(-c3cc(-c4ccc([N+](=O)[O-])cc4)n[nH]3)n2)cc1OC ZINC000904284871 860312954 /nfs/dbraw/zinc/31/29/54/860312954.db2.gz TWSLLABJQHJEQA-UHFFFAOYSA-N 0 1 393.359 3.719 20 5 GHBDMN COc1cc(CN2CC[C@H](COCc3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000093684100 860331158 /nfs/dbraw/zinc/33/11/58/860331158.db2.gz MTGKFARVDKRWGI-KRWDZBQOSA-N 0 1 386.448 3.651 20 5 GHBDMN CCSc1cccc(F)c1NC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000484930893 860494149 /nfs/dbraw/zinc/49/41/49/860494149.db2.gz BOFXQDNAUATIRJ-UHFFFAOYSA-N 0 1 398.437 3.502 20 5 GHBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000155815336 860613005 /nfs/dbraw/zinc/61/30/05/860613005.db2.gz YOWIYCHEGNSWLD-MRXNPFEDSA-N 0 1 395.463 3.804 20 5 GHBDMN COc1ccc(CNCc2ccc(C(=O)OC(C)(C)C)s2)cc1[N+](=O)[O-] ZINC000598962293 860691705 /nfs/dbraw/zinc/69/17/05/860691705.db2.gz FZVCXVPPVVRMAM-UHFFFAOYSA-N 0 1 378.450 3.910 20 5 GHBDMN COc1cc(CNCc2ccccc2[N+](=O)[O-])ccc1OCc1ccncc1 ZINC000061116540 860744612 /nfs/dbraw/zinc/74/46/12/860744612.db2.gz VKSCJVFEPTUAIR-UHFFFAOYSA-N 0 1 379.416 3.867 20 5 GHBDMN C[C@@H]1C[C@@H]1c1ccc(CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C2CC2)o1 ZINC000603603843 860891830 /nfs/dbraw/zinc/89/18/30/860891830.db2.gz XQFRAYFBADYYPR-LIVBEALHSA-N 0 1 386.448 3.716 20 5 GHBDMN Cc1ccccc1CN1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000603738829 861103302 /nfs/dbraw/zinc/10/33/02/861103302.db2.gz BPKSPACYNUPGCU-UHFFFAOYSA-N 0 1 393.443 3.998 20 5 GHBDMN O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000022619633 861167546 /nfs/dbraw/zinc/16/75/46/861167546.db2.gz JKHIKPYIULCZKI-KRWDZBQOSA-N 0 1 389.839 3.521 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N2CCC3(CCc4ccccc4C3)CC2)c1[N+](=O)[O-] ZINC000593754762 861176665 /nfs/dbraw/zinc/17/66/65/861176665.db2.gz OHUQHLCLHUWYSP-UHFFFAOYSA-N 0 1 382.464 3.853 20 5 GHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCCCC[C@H]1C[C@@H](O)c1ccco1 ZINC000159960896 863203660 /nfs/dbraw/zinc/20/36/60/863203660.db2.gz XAGAXYMBGXXGIS-SUMWQHHRSA-N 0 1 398.419 3.573 20 5 GHBDMN CC[NH+](CC)Cc1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000444066369 863264022 /nfs/dbraw/zinc/26/40/22/863264022.db2.gz SCKMIRXLPMZRSB-UHFFFAOYSA-N 0 1 377.466 3.546 20 5 GHBDMN CC[C@@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)N1CCc2ccccc2C1 ZINC000522876174 863622871 /nfs/dbraw/zinc/62/28/71/863622871.db2.gz YGRYURDCGHWWPT-SFHVURJKSA-N 0 1 387.867 3.815 20 5 GHBDMN O=[N+]([O-])c1c(Br)cccc1NC1CCN(Cc2ccncc2)CC1 ZINC000856724192 881688564 /nfs/dbraw/zinc/68/85/64/881688564.db2.gz XDLFPSGXXZXHQK-UHFFFAOYSA-N 0 1 391.269 3.829 20 5 GHBDMN CCc1[nH]nc(C(=O)N2CCCCC[C@@H]2CC(=O)c2ccccc2)c1[N+](=O)[O-] ZINC000444275432 863798188 /nfs/dbraw/zinc/79/81/88/863798188.db2.gz CMCYVXWHWAPNQX-OAHLLOKOSA-N 0 1 384.436 3.538 20 5 GHBDMN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H](C)c1nccn1-c1ccccc1 ZINC000554375373 864233736 /nfs/dbraw/zinc/23/37/36/864233736.db2.gz MDWJSWMBCBWNTK-HZPDHXFCSA-N 0 1 393.447 3.848 20 5 GHBDMN C[C@@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)c1nc(-c2ccccc2)cs1 ZINC000184515008 864625053 /nfs/dbraw/zinc/62/50/53/864625053.db2.gz ZDBZBEOLHIINOD-PBHICJAKSA-N 0 1 399.472 3.809 20 5 GHBDMN CSc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000475306216 864743954 /nfs/dbraw/zinc/74/39/54/864743954.db2.gz YMJSIASVZREPIZ-MRXNPFEDSA-N 0 1 385.489 3.663 20 5 GHBDMN COc1c(C(=O)Nc2ccc3nc([C@H]4CCCO4)[nH]c3c2)cccc1[N+](=O)[O-] ZINC000475312187 864764633 /nfs/dbraw/zinc/76/46/33/864764633.db2.gz KMYCNOWHSKVOMB-MRXNPFEDSA-N 0 1 382.376 3.584 20 5 GHBDMN CC[C@@H](C(=O)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1)N(CC)CC ZINC000735991578 865097344 /nfs/dbraw/zinc/09/73/44/865097344.db2.gz ZFIOWQDNVZAWLZ-IBGZPJMESA-N 0 1 399.447 3.873 20 5 GHBDMN C[C@H]1C[C@H](c2ccc(F)cc2)CN1Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000736597252 865247068 /nfs/dbraw/zinc/24/70/68/865247068.db2.gz WNXAYKWUSVNHAU-YOEHRIQHSA-N 0 1 381.411 3.828 20 5 GHBDMN CSc1cccc(C(=O)N2CCN(Cc3ccccc3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000456334035 866491611 /nfs/dbraw/zinc/49/16/11/866491611.db2.gz LWWXYZCODYTLGQ-MRXNPFEDSA-N 0 1 399.516 3.911 20 5 GHBDMN CCc1nc(NC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)n[nH]1 ZINC000183286914 866558437 /nfs/dbraw/zinc/55/84/37/866558437.db2.gz BTQDZWVXIRLIMM-UHFFFAOYSA-N 0 1 375.454 3.810 20 5 GHBDMN CCc1n[nH]c(NC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)n1 ZINC000183286914 866558443 /nfs/dbraw/zinc/55/84/43/866558443.db2.gz BTQDZWVXIRLIMM-UHFFFAOYSA-N 0 1 375.454 3.810 20 5 GHBDMN O=C(Nc1nnc(C(F)F)s1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000067551903 866572454 /nfs/dbraw/zinc/57/24/54/866572454.db2.gz STTKCPMZAYLUKX-UHFFFAOYSA-N 0 1 398.269 3.577 20 5 GHBDMN COc1ccc2c(c1)CN(C(=O)c1n[nH]c(C)c1[N+](=O)[O-])[C@@H](C1CCCCC1)C2 ZINC000444499061 866814550 /nfs/dbraw/zinc/81/45/50/866814550.db2.gz DRNIOUBZAJZHIA-GOSISDBHSA-N 0 1 398.463 3.782 20 5 GHBDMN Cc1ccc2nc(CNC(=O)c3cc([N+](=O)[O-])ccc3N3CCCCC3)[nH]c2c1 ZINC000174898451 882031805 /nfs/dbraw/zinc/03/18/05/882031805.db2.gz POVSMIKXWLOWMS-UHFFFAOYSA-N 0 1 393.447 3.700 20 5 GHBDMN C[C@H]1CN(Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)CC[C@@H]1c1ccccc1 ZINC000742166435 867090665 /nfs/dbraw/zinc/09/06/65/867090665.db2.gz PSWPILHHKBSGKV-LPHOPBHVSA-N 0 1 377.448 3.936 20 5 GHBDMN Cc1ccccc1[C@H](CC(F)(F)F)NC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000444779563 867183798 /nfs/dbraw/zinc/18/37/98/867183798.db2.gz CFHVPTOPPQRMOE-QAPCUYQASA-N 0 1 398.381 3.926 20 5 GHBDMN CN1CC[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[C@@H]1c1ccccc1 ZINC000534754722 867383907 /nfs/dbraw/zinc/38/39/07/867383907.db2.gz QXTGLGZOAXBTRW-LPHOPBHVSA-N 0 1 381.457 3.985 20 5 GHBDMN Cc1ccc2nc(NC(=O)Cc3ccc([N+](=O)[O-])cc3Br)[nH]c2c1 ZINC000553473806 867478591 /nfs/dbraw/zinc/47/85/91/867478591.db2.gz RSQQIHXLFOZPSV-UHFFFAOYSA-N 0 1 389.209 3.723 20 5 GHBDMN COc1ccc(S(=O)(=O)Nc2cc(-c3ccccc3)cnc2C)cc1[N+](=O)[O-] ZINC000534793472 867500942 /nfs/dbraw/zinc/50/09/42/867500942.db2.gz UVWPNGZBUUBHHP-UHFFFAOYSA-N 0 1 399.428 3.775 20 5 GHBDMN O=C(NCc1nc2ccc(F)cc2[nH]1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445003932 867628186 /nfs/dbraw/zinc/62/81/86/867628186.db2.gz DDPLFGMHTUGJJL-UHFFFAOYSA-N 0 1 386.386 3.627 20 5 GHBDMN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cc(Br)cc(Cl)c1O ZINC000534941246 867801998 /nfs/dbraw/zinc/80/19/98/867801998.db2.gz RIIXHUJNBJYBNL-UHFFFAOYSA-N 0 1 386.589 3.672 20 5 GHBDMN C[C@H](CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)N(C)Cc1ccccc1 ZINC000445188775 867912627 /nfs/dbraw/zinc/91/26/27/867912627.db2.gz OSKWBTIEIWGIAM-QGZVFWFLSA-N 0 1 399.494 3.932 20 5 GHBDMN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2c3nsnc3ccc2Cl)cc1C ZINC000743262622 868036254 /nfs/dbraw/zinc/03/62/54/868036254.db2.gz SOKPHBBYQSKJKJ-UHFFFAOYSA-N 0 1 398.853 3.671 20 5 GHBDMN O=[N+]([O-])c1ccc(CN[C@H]2CCN(c3ccc(Br)cc3)C2)c(F)c1 ZINC000479920821 868700551 /nfs/dbraw/zinc/70/05/51/868700551.db2.gz SDEYTWYJYSMGRV-AWEZNQCLSA-N 0 1 394.244 3.865 20 5 GHBDMN O=C(Nc1nc2ccc(Br)cc2[nH]1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000744379051 868796879 /nfs/dbraw/zinc/79/68/79/868796879.db2.gz JGRGHOWJMLPRLL-UHFFFAOYSA-N 0 1 397.135 3.764 20 5 GHBDMN CO[C@H](C)CN[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000190745626 882257450 /nfs/dbraw/zinc/25/74/50/882257450.db2.gz BFKKKJZIMHZDKC-PXAZEXFGSA-N 0 1 377.828 3.553 20 5 GHBDMN C[C@@H]1C[C@@H]1N1C[C@@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1=O ZINC000539515705 869264966 /nfs/dbraw/zinc/26/49/66/869264966.db2.gz VZNIEXZANVCUTP-PEBVRCNWSA-N 0 1 389.839 3.607 20 5 GHBDMN CCS(=O)(=O)c1ccc([C@H](C)NCc2ccc([N+](=O)[O-])c(Cl)c2)cc1 ZINC000793620589 882337193 /nfs/dbraw/zinc/33/71/93/882337193.db2.gz QIJWEPXHTFJCDT-LBPRGKRZSA-N 0 1 382.869 3.893 20 5 GHBDMN Cc1nn(CN2CCC[C@H]2Cc2ccc(Br)cc2)c(C)c1[N+](=O)[O-] ZINC000920757953 882359577 /nfs/dbraw/zinc/35/95/77/882359577.db2.gz KSQDQCJFJNIICB-INIZCTEOSA-N 0 1 393.285 3.835 20 5 GHBDMN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](c1cccc(F)c1)N(C)C ZINC000462756614 870035940 /nfs/dbraw/zinc/03/59/40/870035940.db2.gz UVVKIZHSXGPRIH-OXJNMPFZSA-N 0 1 387.455 3.722 20 5 GHBDMN COc1cc(SC)ccc1NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000446637212 870128026 /nfs/dbraw/zinc/12/80/26/870128026.db2.gz JLUVRVWMIFRNOP-UHFFFAOYSA-N 0 1 382.463 3.743 20 5 GHBDMN O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000181280892 870637251 /nfs/dbraw/zinc/63/72/51/870637251.db2.gz AGMDBYQKLKCGMO-OAHLLOKOSA-N 0 1 392.419 3.791 20 5 GHBDMN COC(=O)[C@@H]1CCCC[C@]1(C)NCc1c(Br)cccc1[N+](=O)[O-] ZINC001193032547 870857355 /nfs/dbraw/zinc/85/73/55/870857355.db2.gz DWZFWGSYKUOYOP-LRDDRELGSA-N 0 1 385.258 3.569 20 5 GHBDMN COc1ccc2nc(SCCOc3ccc(OC)cc3[N+](=O)[O-])[nH]c2c1 ZINC000525622789 871133798 /nfs/dbraw/zinc/13/37/98/871133798.db2.gz DSPLSWWXDQEGIU-UHFFFAOYSA-N 0 1 375.406 3.659 20 5 GHBDMN C[C@H](Cc1ccsc1)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000525689864 871247721 /nfs/dbraw/zinc/24/77/21/871247721.db2.gz DACQKBKTGVHFKY-MRVPVSSYSA-N 0 1 395.289 3.873 20 5 GHBDMN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000462181615 871780335 /nfs/dbraw/zinc/78/03/35/871780335.db2.gz KWTPGSGNTIXSJB-KDOFPFPSSA-N 0 1 379.416 3.591 20 5 GHBDMN Cc1ccc([C@H](C)NCC(=O)NCc2cccc(OC(C)C)c2)cc1[N+](=O)[O-] ZINC000539381308 871864016 /nfs/dbraw/zinc/86/40/16/871864016.db2.gz RQQHOKPVVIVWEZ-INIZCTEOSA-N 0 1 385.464 3.657 20 5 GHBDMN O=C1[C@H](N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCN1CCCc1ccccc1 ZINC000447583802 871882793 /nfs/dbraw/zinc/88/27/93/871882793.db2.gz CNMZABRRACCFFE-FCHUYYIVSA-N 0 1 393.487 3.796 20 5 GHBDMN CC(C)Oc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)cc1 ZINC000463522936 871978654 /nfs/dbraw/zinc/97/86/54/871978654.db2.gz XDACNEDSIFAVEG-UHFFFAOYSA-N 0 1 387.417 3.731 20 5 GHBDMN CN(C)S(=O)(=O)c1ccccc1Nc1ccc2cc3ccc(N)cc3nc2c1 ZINC001195585478 872487346 /nfs/dbraw/zinc/48/73/46/872487346.db2.gz CRPKFDXLGPVFQB-UHFFFAOYSA-N 0 1 392.484 3.964 20 5 GHBDMN CC(C)(C)OC(=O)N[C@H]1C[C@H](NCc2c(F)cc([N+](=O)[O-])cc2F)C1(C)C ZINC001195670155 872539581 /nfs/dbraw/zinc/53/95/81/872539581.db2.gz OILWBMCKIYBAFN-GJZGRUSLSA-N 0 1 385.411 3.654 20 5 GHBDMN CCOc1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c2ncccc12 ZINC000463792826 872569956 /nfs/dbraw/zinc/56/99/56/872569956.db2.gz BLRLDMRJNDEKNG-UHFFFAOYSA-N 0 1 387.417 3.651 20 5 GHBDMN O=[N+]([O-])c1cc(CN[C@@H](CO)[C@@H]2CCCO2)ccc1Oc1ccccc1Cl ZINC000447975871 872592764 /nfs/dbraw/zinc/59/27/64/872592764.db2.gz IGSLUUPSBUOOTQ-YJBOKZPZSA-N 0 1 392.839 3.670 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCc2ccccc2[C@H](C)C1 ZINC001195808871 872678547 /nfs/dbraw/zinc/67/85/47/872678547.db2.gz DKUAVKCZSRGNRG-HUUCEWRRSA-N 0 1 383.448 3.592 20 5 GHBDMN COc1ccc(NC(=O)[C@@H](C)N[C@@H](C)c2cc(C)sc2C)c([N+](=O)[O-])c1 ZINC000182756511 872756093 /nfs/dbraw/zinc/75/60/93/872756093.db2.gz OBEJSJLRWBPODF-NWDGAFQWSA-N 0 1 377.466 3.960 20 5 GHBDMN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@H](C)N1CCc2ccccc2C1 ZINC000463946496 872929714 /nfs/dbraw/zinc/92/97/14/872929714.db2.gz AAKGZYSFZGWGLQ-INIZCTEOSA-N 0 1 382.464 3.780 20 5 GHBDMN C[C@@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001196216476 872958891 /nfs/dbraw/zinc/95/88/91/872958891.db2.gz DEDIFPKMBXOPJZ-WBVHZDCISA-N 0 1 393.484 3.599 20 5 GHBDMN CC(C)(C)OC(=O)N1CCC([N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C2CC2)CC1 ZINC000768355237 873253976 /nfs/dbraw/zinc/25/39/76/873253976.db2.gz OAFOITSAKAXZFC-UHFFFAOYSA-N 0 1 391.468 3.664 20 5 GHBDMN CCc1cc(Br)ccc1NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768887223 873648546 /nfs/dbraw/zinc/64/85/46/873648546.db2.gz GPZXAZWWXKDUSY-UHFFFAOYSA-N 0 1 391.268 3.782 20 5 GHBDMN CN(CCOC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)Cc1ccc(F)cc1 ZINC000769131306 873831822 /nfs/dbraw/zinc/83/18/22/873831822.db2.gz CRPVOYKQUMRYHO-UHFFFAOYSA-N 0 1 398.337 3.624 20 5 GHBDMN COc1cc(CN[C@@H](C)c2c(C)nn(CC(F)(F)F)c2C)ccc1[N+](=O)[O-] ZINC000541602511 873924773 /nfs/dbraw/zinc/92/47/73/873924773.db2.gz DOZJBAKGMKYLSJ-JTQLQIEISA-N 0 1 386.374 3.830 20 5 GHBDMN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000448773291 873948811 /nfs/dbraw/zinc/94/88/11/873948811.db2.gz HCASVWNJBILPMH-LPHOPBHVSA-N 0 1 395.459 3.509 20 5 GHBDMN C[C@H](NCc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H]1Oc2ccccc2[C@H]1C ZINC000541687416 874093219 /nfs/dbraw/zinc/09/32/19/874093219.db2.gz SQTZFNMCJQRQIX-NQCMUKECSA-N 0 1 380.404 3.688 20 5 GHBDMN O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000541703060 874144467 /nfs/dbraw/zinc/14/44/67/874144467.db2.gz PQQRXQXAQWCTEY-KRWDZBQOSA-N 0 1 389.839 3.521 20 5 GHBDMN Cc1nc(C)c([C@@H](C)N(C)C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)s1 ZINC000448929849 874220606 /nfs/dbraw/zinc/22/06/06/874220606.db2.gz NZGHIUDNAXKSGU-LLVKDONJSA-N 0 1 385.449 3.891 20 5 GHBDMN C[C@H]1C[C@H]1c1ccc(CCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)o1 ZINC000609135938 874240816 /nfs/dbraw/zinc/24/08/16/874240816.db2.gz GZBMORBULQIKLD-XHDPSFHLSA-N 0 1 381.392 3.668 20 5 GHBDMN O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1)OCCO2 ZINC000770292017 874580535 /nfs/dbraw/zinc/58/05/35/874580535.db2.gz HYNXXQRYPARWMC-GDBMZVCRSA-N 0 1 390.461 3.516 20 5 GHBDMN O=[N+]([O-])c1cc2c(cc1CN1CCC[C@@H]1C[C@@H](O)c1cccs1)OCCO2 ZINC000770292017 874580540 /nfs/dbraw/zinc/58/05/40/874580540.db2.gz HYNXXQRYPARWMC-GDBMZVCRSA-N 0 1 390.461 3.516 20 5 GHBDMN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1cccc(C(F)(F)F)n1 ZINC000449402198 874818890 /nfs/dbraw/zinc/81/88/90/874818890.db2.gz PWWBCPHAHOTVSN-NSHDSACASA-N 0 1 382.342 3.516 20 5 GHBDMN COc1cccc([C@H]2C[C@H](C)CN2CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000542252175 875222775 /nfs/dbraw/zinc/22/27/75/875222775.db2.gz HKTFJYQIHAFBBH-MGPUTAFESA-N 0 1 383.448 3.649 20 5 GHBDMN C[C@@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1cccc(Cl)c1Cl ZINC000542260057 875267493 /nfs/dbraw/zinc/26/74/93/875267493.db2.gz VKYFGNOPVPLSMD-VXGBXAGGSA-N 0 1 385.247 3.992 20 5 GHBDMN Cc1ccc2nc(CNC(=O)[C@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])[nH]c2c1 ZINC000465196633 875305462 /nfs/dbraw/zinc/30/54/62/875305462.db2.gz WOFJCTBNSLJSSL-NSHDSACASA-N 0 1 388.811 3.517 20 5 GHBDMN COc1cccc(-c2nc(C)c(C(=O)OCc3c(F)cccc3[N+](=O)[O-])[nH]2)c1 ZINC000772093055 875671250 /nfs/dbraw/zinc/67/12/50/875671250.db2.gz DTTSLLVNZGTJKL-UHFFFAOYSA-N 0 1 385.351 3.798 20 5 GHBDMN C[C@@H](NC(=O)N1CCN(Cc2ccccc2)C(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000609211392 883058097 /nfs/dbraw/zinc/05/80/97/883058097.db2.gz CBZKAOUYFYDHDI-QGZVFWFLSA-N 0 1 396.491 3.962 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCc1ccc(C(=O)N2CCCC2)cc1 ZINC000850430395 876913631 /nfs/dbraw/zinc/91/36/31/876913631.db2.gz ZSUGRWPOFKXEGN-OAHLLOKOSA-N 0 1 383.448 3.690 20 5 GHBDMN CC1(C)CN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CCN1 ZINC000477318700 877418161 /nfs/dbraw/zinc/41/81/61/877418161.db2.gz HGWKJZXWRSYUJI-UHFFFAOYSA-N 0 1 389.839 3.865 20 5 GHBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1 ZINC001170075490 877501068 /nfs/dbraw/zinc/50/10/68/877501068.db2.gz RDRPCRHJPWMUQY-NRFANRHFSA-N 0 1 383.492 3.741 20 5 GHBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCN(C)[C@@H](Cc2ccccc2)C1 ZINC001170075490 877501080 /nfs/dbraw/zinc/50/10/80/877501080.db2.gz RDRPCRHJPWMUQY-NRFANRHFSA-N 0 1 383.492 3.741 20 5 GHBDMN Cc1cccc(C(=O)N[C@H]2CCc3nc(C4CCCCC4)[nH]c3C2)c1[N+](=O)[O-] ZINC000788247447 877950456 /nfs/dbraw/zinc/95/04/56/877950456.db2.gz USWKZUXEPGBPME-HNNXBMFYSA-N 0 1 382.464 3.961 20 5 GHBDMN Cc1c(NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)cnn1C1CCCC1 ZINC000451426326 877958373 /nfs/dbraw/zinc/95/83/73/877958373.db2.gz HRDRHMIBPSBGOE-UHFFFAOYSA-N 0 1 380.408 3.857 20 5 GHBDMN C[C@@H](C(=O)N1CCc2sccc2C1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451550826 878130047 /nfs/dbraw/zinc/13/00/47/878130047.db2.gz SEJVRGVFWWIBTO-DOTOQJQBSA-N 0 1 399.516 3.809 20 5 GHBDMN C[C@H](NCc1cccc(C(=O)NCc2ccco2)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788548671 878142078 /nfs/dbraw/zinc/14/20/78/878142078.db2.gz SBOXGMWLZWPIAE-AWEZNQCLSA-N 0 1 394.431 3.551 20 5 GHBDMN Cc1cc(Cl)c([N+](=O)[O-])cc1NS(=O)(=O)C1=Cc2ccccc2OC1 ZINC000788745959 878320072 /nfs/dbraw/zinc/32/00/72/878320072.db2.gz ARGYNLUTZRPVTD-UHFFFAOYSA-N 0 1 380.809 3.732 20 5 GHBDMN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1CCC(CC(F)(F)F)CC1 ZINC000451765243 878440820 /nfs/dbraw/zinc/44/08/20/878440820.db2.gz OSXUEAKIWWMMJV-UHFFFAOYSA-N 0 1 382.342 3.790 20 5 GHBDMN O=C(N[C@H]1CCc2nc[nH]c2C1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000461087429 879106414 /nfs/dbraw/zinc/10/64/14/879106414.db2.gz ZCHVIDMICDIFAB-ZDUSSCGKSA-N 0 1 394.456 3.756 20 5 GHBDMN Cc1ccc([C@H](CN2CCOCC2)NCc2ccc([N+](=O)[O-])c(Cl)c2)cc1 ZINC000761523714 879215827 /nfs/dbraw/zinc/21/58/27/879215827.db2.gz WRYBEVXTMUTQMT-IBGZPJMESA-N 0 1 389.883 3.720 20 5 GHBDMN O=C1[C@@H](NCc2ccc([N+](=O)[O-])c(Cl)c2)CCN1c1ccc(Cl)c(F)c1 ZINC000761525206 879245378 /nfs/dbraw/zinc/24/53/78/879245378.db2.gz DGWBQOYGBGCFQX-HNNXBMFYSA-N 0 1 398.221 3.936 20 5 GHBDMN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000790271220 879582996 /nfs/dbraw/zinc/58/29/96/879582996.db2.gz IBKCSZSOFGRDDZ-OAQYLSRUSA-N 0 1 381.476 3.996 20 5 GHBDMN COc1ccc(NC(=O)[C@@H](C)N(C)Cc2cccc3[nH]ccc32)c([N+](=O)[O-])c1 ZINC000494025783 879837295 /nfs/dbraw/zinc/83/72/95/879837295.db2.gz DZXULYGKXGABIG-CYBMUJFWSA-N 0 1 382.420 3.544 20 5 GHBDMN CN(C)[C@@H]1CCOc2c(NC(=O)c3cc(F)c(F)cc3[N+](=O)[O-])cccc21 ZINC000791043683 880169323 /nfs/dbraw/zinc/16/93/23/880169323.db2.gz HNTIRNWUYRXMOU-OAHLLOKOSA-N 0 1 377.347 3.511 20 5 GHBDMN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc3c(c2)CCO3)c(Cl)cc1Cl ZINC000791431594 880400368 /nfs/dbraw/zinc/40/03/68/880400368.db2.gz JWWRYXHWUQLJBA-UHFFFAOYSA-N 0 1 389.216 3.637 20 5 GHBDMN CCn1cc([C@H](O)C[N@@H+](Cc2ccccc2)Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC000792185279 880973087 /nfs/dbraw/zinc/97/30/87/880973087.db2.gz CXZFUYVZFPAECT-OAQYLSRUSA-N 0 1 380.448 3.547 20 5 GHBDMN CCn1cc([C@H](O)CN(Cc2ccccc2)Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC000792185279 880973097 /nfs/dbraw/zinc/97/30/97/880973097.db2.gz CXZFUYVZFPAECT-OAQYLSRUSA-N 0 1 380.448 3.547 20 5 GHBDMN CN(C)c1ccc(NC(=O)CCN(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000792256985 881019931 /nfs/dbraw/zinc/01/99/31/881019931.db2.gz XZZOPAZJZUSMRJ-UHFFFAOYSA-N 0 1 382.464 3.654 20 5 GHBDMN CC(C)(C)[C@H](NCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1ccc(F)cc1 ZINC000919942100 881220056 /nfs/dbraw/zinc/22/00/56/881220056.db2.gz QJKYUIFCZIKTGF-QGZVFWFLSA-N 0 1 385.395 3.664 20 5 GHBDMN O=C(c1cnc(-c2ccccc2)[nH]1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000551193720 883455728 /nfs/dbraw/zinc/45/57/28/883455728.db2.gz PKIDUQJOAHBALP-UHFFFAOYSA-N 0 1 392.415 3.669 20 5 GHBDMN C[C@H](CCc1ccccc1[N+](=O)[O-])N[C@H](C)c1ncc(Br)cn1 ZINC000551212168 883490553 /nfs/dbraw/zinc/49/05/53/883490553.db2.gz UGBIIIUYWGVNKX-VXGBXAGGSA-N 0 1 379.258 3.819 20 5 GHBDMN O=C(Nc1cc(Cl)c(O)cc1F)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000805256933 883722599 /nfs/dbraw/zinc/72/25/99/883722599.db2.gz LAANCDFMUBNBSN-UHFFFAOYSA-N 0 1 376.731 3.531 20 5 GHBDMN C[C@H]1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000805787923 884072587 /nfs/dbraw/zinc/07/25/87/884072587.db2.gz CPZTTZXIPPCPBL-BHDSKKPTSA-N 0 1 393.793 3.526 20 5 GHBDMN O=[N+]([O-])c1ccccc1/C=C\CN1CC[C@H](c2nccc(C(F)(F)F)n2)C1 ZINC000897615983 884136196 /nfs/dbraw/zinc/13/61/96/884136196.db2.gz GMSFRRFGPAYGMM-MFBWXBCUSA-N 0 1 378.354 3.906 20 5 GHBDMN O=[N+]([O-])c1ccc(NS(=O)(=O)Cc2ccc(F)c(Cl)c2)c2cccnc21 ZINC000194707876 884159153 /nfs/dbraw/zinc/15/91/53/884159153.db2.gz WPINCHIUWOYLLC-UHFFFAOYSA-N 0 1 395.799 3.877 20 5 GHBDMN COC(=O)/C=C\c1ccc(NC[C@@H](c2ccsc2)N(C)C)c([N+](=O)[O-])c1 ZINC000914571438 884176712 /nfs/dbraw/zinc/17/67/12/884176712.db2.gz RZYFGCHFMWXLJH-WVRJYTFGSA-N 0 1 375.450 3.557 20 5 GHBDMN COc1ccc(-c2nsc(NC(=O)c3cc(F)cc(C)c3[N+](=O)[O-])n2)cc1 ZINC000153345167 884719162 /nfs/dbraw/zinc/71/91/62/884719162.db2.gz FHDOPBQKPATOAX-UHFFFAOYSA-N 0 1 388.380 3.822 20 5 GHBDMN C[N@@H+](CCC(=O)[O-])Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000263395417 884775505 /nfs/dbraw/zinc/77/55/05/884775505.db2.gz GIPIJAZCFNKEMN-UHFFFAOYSA-N 0 1 383.198 3.524 20 5 GHBDMN O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000272236426 885417330 /nfs/dbraw/zinc/41/73/30/885417330.db2.gz MTMRMSBDQRACJH-INIZCTEOSA-N 0 1 383.452 3.780 20 5 GHBDMN COc1ccccc1[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C)N1CCCCC1 ZINC000498734412 885515856 /nfs/dbraw/zinc/51/58/56/885515856.db2.gz NFNCOJBSXRKPMM-FQEVSTJZSA-N 0 1 397.475 3.869 20 5 GHBDMN CN(CCCN(C)C(=O)c1cc([N+](=O)[O-])cc2ccccc21)Cc1ccco1 ZINC000861692848 885769155 /nfs/dbraw/zinc/76/91/55/885769155.db2.gz JSLYASUKBZXNCJ-UHFFFAOYSA-N 0 1 381.432 3.935 20 5 GHBDMN O=C1[C@H](c2ccc([N+](=O)[O-])cc2)CCN1CN1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000863321542 887032551 /nfs/dbraw/zinc/03/25/51/887032551.db2.gz ZFRYCZINVULUBY-JKLQHZFJSA-N 0 1 391.471 3.604 20 5 GHBDMN Cc1cc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2C)ccc1Br ZINC000316712525 887346257 /nfs/dbraw/zinc/34/62/57/887346257.db2.gz ZXCSFRGFAJHZHJ-UHFFFAOYSA-N 0 1 385.239 3.775 20 5 GHBDMN Cc1ccc(C(=O)CCCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1 ZINC000496052824 887437558 /nfs/dbraw/zinc/43/75/58/887437558.db2.gz JZKMAUGANIXHKI-UHFFFAOYSA-N 0 1 393.403 3.680 20 5 GHBDMN O=[N+]([O-])c1ccc(N2CCCCC2)c(-c2nc(-c3ccn4cncc4c3)no2)c1 ZINC000809493819 887485656 /nfs/dbraw/zinc/48/56/56/887485656.db2.gz MZZBNMYCIOZNAO-UHFFFAOYSA-N 0 1 390.403 3.950 20 5 GHBDMN Cc1ccc(NC(=O)NC[C@@H]2CCCN(Cc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000532682379 887720996 /nfs/dbraw/zinc/72/09/96/887720996.db2.gz JTSRXBSCUHJNCF-SFHVURJKSA-N 0 1 382.464 3.937 20 5 GHBDMN COc1ccc(C[C@H](C)CN(C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000153338226 887750114 /nfs/dbraw/zinc/75/01/14/887750114.db2.gz AKIYYSIXMISIFY-HNNXBMFYSA-N 0 1 396.447 3.964 20 5 GHBDMN O=[N+]([O-])c1cccc(Br)c1CN1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000809758306 887800805 /nfs/dbraw/zinc/80/08/05/887800805.db2.gz IVEIDLRFKOWBHR-ZIAGYGMSSA-N 0 1 383.286 3.996 20 5 GHBDMN CCN1CCN(c2cc(N(C)C(=O)C(C)(CC)CC)cc([N+](=O)[O-])c2)CC1 ZINC001132059449 888138292 /nfs/dbraw/zinc/13/82/92/888138292.db2.gz VUNVXSPTDDXUFN-UHFFFAOYSA-N 0 1 376.501 3.526 20 5 GHBDMN CC(C)(C)N1CC[C@@](F)(C(=O)OCc2cnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000810589274 888668655 /nfs/dbraw/zinc/66/86/55/888668655.db2.gz GESYTOOMGBTHMX-IBGZPJMESA-N 0 1 391.399 3.506 20 5 GHBDMN O=C(C1CCCC1)N1CC[C@@H](NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000811483321 889632951 /nfs/dbraw/zinc/63/29/51/889632951.db2.gz FOTLAFPGICOAJZ-CQSZACIVSA-N 0 1 386.279 3.782 20 5 GHBDMN CC(C)C[C@H](CNCc1nc2cc([N+](=O)[O-])ccc2[nH]1)NC(=O)OC(C)(C)C ZINC000811495990 889646581 /nfs/dbraw/zinc/64/65/81/889646581.db2.gz NYVRCVGDNMOSQM-CYBMUJFWSA-N 0 1 391.472 3.500 20 5 GHBDMN CCC(=O)c1ccc(N(C)C2CCN(CCc3ccccn3)CC2)c([N+](=O)[O-])c1 ZINC000795079658 889937335 /nfs/dbraw/zinc/93/73/35/889937335.db2.gz FSPGKUXYFJTPAO-UHFFFAOYSA-N 0 1 396.491 3.726 20 5 GHBDMN O=C(CN1CC[C@@H](c2ccc(Cl)cc2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000533303234 890250732 /nfs/dbraw/zinc/25/07/32/890250732.db2.gz XVLWSBZEQRWDMF-MRXNPFEDSA-N 0 1 385.851 3.627 20 5 GHBDMN CO[C@@H](C)c1nsc(NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])n1 ZINC000813243550 891399323 /nfs/dbraw/zinc/39/93/23/891399323.db2.gz REYLTUMKQVMJIC-YFKPBYRVSA-N 0 1 377.209 3.713 20 5 GHBDMN CCOc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C(F)(F)F)c1 ZINC000064375200 892094847 /nfs/dbraw/zinc/09/48/47/892094847.db2.gz NYRCWZFXHPKSDY-UHFFFAOYSA-N 0 1 390.339 3.813 20 5 GHBDMN Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2nc3ccc(F)cc3[nH]2)cc1 ZINC000609263191 892230558 /nfs/dbraw/zinc/23/05/58/892230558.db2.gz IYMSUBSWTXXNRU-UHFFFAOYSA-N 0 1 379.351 3.868 20 5 GHBDMN CC[C@@H](CC(=O)Nc1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-])C(C)(C)C ZINC001134199970 892466703 /nfs/dbraw/zinc/46/67/03/892466703.db2.gz KNUODXVUVGOLRU-HNNXBMFYSA-N 0 1 376.501 3.748 20 5 GHBDMN C[C@H](NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000542610358 892628514 /nfs/dbraw/zinc/62/85/14/892628514.db2.gz KWMPWHRCZPMSMP-JMERFSKESA-N 0 1 380.404 3.688 20 5 GHBDMN CCOC(=O)c1cccc2nc(NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)[nH]c21 ZINC001134753377 893289501 /nfs/dbraw/zinc/28/95/01/893289501.db2.gz KZLQMJZULHRBNG-UHFFFAOYSA-N 0 1 388.767 3.554 20 5 GHBDMN COc1ccc([C@H](C)N[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000774854953 913780356 /nfs/dbraw/zinc/78/03/56/913780356.db2.gz LOUYLGSRUNUHDX-RYUDHWBXSA-N 0 1 377.828 3.935 20 5 GHBDMN CN(Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C[C@@H](O)COCc1ccccc1 ZINC000563519712 893859168 /nfs/dbraw/zinc/85/91/68/893859168.db2.gz ZRALPHVZNDTTQB-QGZVFWFLSA-N 0 1 398.381 3.623 20 5 GHBDMN C[C@H](N[C@@H]1CCCN(c2ccccc2Cl)C1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815583909 894023625 /nfs/dbraw/zinc/02/36/25/894023625.db2.gz QZLBWJLTWSDBMF-BLLLJJGKSA-N 0 1 388.855 3.677 20 5 GHBDMN COc1ccc(CN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])[C@@H](C)C2CC2)cc1 ZINC000566452150 896320220 /nfs/dbraw/zinc/32/02/20/896320220.db2.gz IGUGKBUXVLVDRS-ZDUSSCGKSA-N 0 1 386.452 3.891 20 5 GHBDMN O=[N+]([O-])c1cc(Br)ccc1CN[C@@H](c1nnc[nH]1)C1CCCCC1 ZINC000883295626 897464438 /nfs/dbraw/zinc/46/44/38/897464438.db2.gz NMWQOVYAIQENPU-OAHLLOKOSA-N 0 1 394.273 3.887 20 5 GHBDMN CN(C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)C1CCN(CCC(F)(F)F)CC1 ZINC000822149996 898236253 /nfs/dbraw/zinc/23/62/53/898236253.db2.gz AMTGLMHHYBQWCJ-DLBZAZTESA-N 0 1 399.413 3.574 20 5 GHBDMN Cc1[nH]nc(C(=O)N2CCC[C@@H]2c2ccc(Br)c(C)c2)c1[N+](=O)[O-] ZINC000331680103 899080362 /nfs/dbraw/zinc/08/03/62/899080362.db2.gz WBBRNVMGIGCKHN-CYBMUJFWSA-N 0 1 393.241 3.675 20 5 GHBDMN CC(C)c1nc([C@@H]2CCCCN2C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)n[nH]1 ZINC000331923556 899268172 /nfs/dbraw/zinc/26/81/72/899268172.db2.gz OQSDGCCKPJUHNC-AWEZNQCLSA-N 0 1 377.832 3.857 20 5 GHBDMN O=[N+]([O-])c1cccc(Br)c1CN1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000824696250 899772173 /nfs/dbraw/zinc/77/21/73/899772173.db2.gz JFWNLSMQVYZNLF-SRCQZFHVSA-N 0 1 383.286 3.873 20 5 GHBDMN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000571357962 899841774 /nfs/dbraw/zinc/84/17/74/899841774.db2.gz WJFKLOGNCKYBJP-QGZVFWFLSA-N 0 1 375.375 3.691 20 5 GHBDMN O=C(Nc1ccc([N+](=O)[O-])cc1F)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000571546201 899906888 /nfs/dbraw/zinc/90/68/88/899906888.db2.gz VRNFEZBFPLWGAH-HNNXBMFYSA-N 0 1 393.365 3.830 20 5 GHBDMN Cc1cc(Cl)c(C(=O)NC[C@@H](C)N2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000825431893 900140825 /nfs/dbraw/zinc/14/08/25/900140825.db2.gz CKFYFCHILQLERO-CQSZACIVSA-N 0 1 387.867 3.733 20 5 GHBDMN C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000574760134 900997607 /nfs/dbraw/zinc/99/76/07/900997607.db2.gz VFEBGCKINCJNRG-GASCZTMLSA-N 0 1 398.463 3.778 20 5 GHBDMN CCCN1Cc2cccc(N[C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3OC)c2C1 ZINC000066968492 901031881 /nfs/dbraw/zinc/03/18/81/901031881.db2.gz PPSNVGOZRALFRU-CQSZACIVSA-N 0 1 398.463 3.768 20 5 GHBDMN CC(C)(NCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000047258132 901691913 /nfs/dbraw/zinc/69/19/13/901691913.db2.gz ASBYRLBNMPMHCS-UHFFFAOYSA-N 0 1 392.253 3.821 20 5 GHBDMN COc1cc(-c2nc(-c3ccc(F)c(CN(C)C)c3)no2)cc([N+](=O)[O-])c1C ZINC000576503395 902062691 /nfs/dbraw/zinc/06/26/91/902062691.db2.gz YFKIGBLIKIEGQN-UHFFFAOYSA-N 0 1 386.383 3.830 20 5 GHBDMN CC[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(OC)c2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000778950444 902097233 /nfs/dbraw/zinc/09/72/33/902097233.db2.gz KHTSBPMWSZWQQI-HZPDHXFCSA-N 0 1 393.484 3.729 20 5 GHBDMN CC(C)(NCc1cc([N+](=O)[O-])ccc1C(F)(F)F)C(=O)NCC1CCCC1 ZINC000577008472 902425195 /nfs/dbraw/zinc/42/51/95/902425195.db2.gz ITUDYBWCQQVRRU-UHFFFAOYSA-N 0 1 387.402 3.788 20 5 GHBDMN CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000778981752 902490361 /nfs/dbraw/zinc/49/03/61/902490361.db2.gz QLBVJHALEYLAGW-CABCVRRESA-N 0 1 393.484 3.729 20 5 GHBDMN O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@@H](n2cncn2)C(F)(F)F)s1 ZINC000601144721 903388311 /nfs/dbraw/zinc/38/83/11/903388311.db2.gz MZEYKMPJBXOERG-OAHLLOKOSA-N 0 1 397.382 3.808 20 5 GHBDMN COc1cc(SC)ccc1NS(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC000773273285 904645993 /nfs/dbraw/zinc/64/59/93/904645993.db2.gz HSOSNCJXLNIWIR-UHFFFAOYSA-N 0 1 386.426 3.574 20 5 GHBDMN CC[C@](C)(NCCC(=O)Nc1cccc([N+](=O)[O-])c1C)c1nc(C)cs1 ZINC000173940500 905167751 /nfs/dbraw/zinc/16/77/51/905167751.db2.gz KIBBABDQDUUHME-SFHVURJKSA-N 0 1 376.482 3.912 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CCN(C)C[C@H]2c2ccccc2)c1F ZINC001173186013 906266683 /nfs/dbraw/zinc/26/66/83/906266683.db2.gz QUUFPOKLXNMOLM-BEFAXECRSA-N 0 1 387.455 3.662 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CC[C@@H](Oc3ccc(F)cc3)C2)c1F ZINC001173187594 906267264 /nfs/dbraw/zinc/26/72/64/906267264.db2.gz ANZHTEHGDQOHRK-XJKSGUPXSA-N 0 1 392.402 3.966 20 5 GHBDMN CN1CCN(c2cccc(Nc3cc4nc5ccccc5nc4cc3N)c2)CC1 ZINC001212713970 906305780 /nfs/dbraw/zinc/30/57/80/906305780.db2.gz XGYOBVQKZFKDIT-UHFFFAOYSA-N 0 1 384.487 3.861 20 5 GHBDMN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCc2c(Br)ccc(N)c2C1 ZINC001173229860 906313947 /nfs/dbraw/zinc/31/39/47/906313947.db2.gz BBMGAILXRHYAPN-GFCCVEGCSA-N 0 1 390.281 3.929 20 5 GHBDMN COc1cc([C@H](C)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)ccc1S(C)(=O)=O ZINC000181236478 906952501 /nfs/dbraw/zinc/95/25/01/906952501.db2.gz MVOZVCMEHXAWFP-KBPBESRZSA-N 0 1 392.477 3.727 20 5 GHBDMN C[C@H](N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000192019801 907362855 /nfs/dbraw/zinc/36/28/55/907362855.db2.gz BKPIRIJAUXCQQR-BJOOFOGMSA-N 0 1 389.839 3.695 20 5 GHBDMN COc1cc(CN[C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)c([N+](=O)[O-])cc1F ZINC000192127958 907446827 /nfs/dbraw/zinc/44/68/27/907446827.db2.gz VIEYLGBHAIPXIJ-MAUKXSAKSA-N 0 1 382.338 3.641 20 5 GHBDMN Cc1[nH+]c2ccc(Br)cn2c1Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001176678534 908207033 /nfs/dbraw/zinc/20/70/33/908207033.db2.gz SGPHLBGSMAKIGW-UHFFFAOYSA-N 0 1 391.181 3.755 20 5 GHBDMN CCn1nc(C)c([N+](=O)[O-])c1NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000195339095 908999425 /nfs/dbraw/zinc/99/94/25/908999425.db2.gz XNUQVCSPODRVLE-UHFFFAOYSA-N 0 1 377.876 3.850 20 5 GHBDMN Cc1nn(CN2CCC[C@H]2Cc2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000779859880 909051609 /nfs/dbraw/zinc/05/16/09/909051609.db2.gz ZRJTWSCDHILRJY-HNNXBMFYSA-N 0 1 379.258 3.527 20 5 GHBDMN C[C@@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc(OCC(=O)NC2CC2)cc1 ZINC000266459668 909175082 /nfs/dbraw/zinc/17/50/82/909175082.db2.gz LUZXLCAYXHKCKF-CABCVRRESA-N 0 1 383.448 3.664 20 5 GHBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC000266618894 909234528 /nfs/dbraw/zinc/23/45/28/909234528.db2.gz FCSFEEQXLHEIID-HNNXBMFYSA-N 0 1 385.439 3.823 20 5 GHBDMN COc1cc(CN2CCC[C@@H]2C[C@@H](O)c2cccs2)c([N+](=O)[O-])cc1OC ZINC000245736223 909869812 /nfs/dbraw/zinc/86/98/12/909869812.db2.gz FQYCZXAGLPJHMP-GDBMZVCRSA-N 0 1 392.477 3.762 20 5 GHBDMN C[C@@H]1CCC[C@H](N(C)CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)C1 ZINC000795408963 910230876 /nfs/dbraw/zinc/23/08/76/910230876.db2.gz MKBDZJURHWZEOR-YPMHNXCESA-N 0 1 396.285 3.781 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)Nc2nc3ccc(C(F)(F)F)cc3[nH]2)c1[N+](=O)[O-] ZINC000269648573 910327587 /nfs/dbraw/zinc/32/75/87/910327587.db2.gz ZFNFURUKKXKONI-UHFFFAOYSA-N 0 1 382.302 3.589 20 5 GHBDMN CCOc1ccc([C@H](C)NCc2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-] ZINC000271065205 910771969 /nfs/dbraw/zinc/77/19/69/910771969.db2.gz CUHJRAYSFOIFII-ZDUSSCGKSA-N 0 1 390.436 3.870 20 5 GHBDMN Cc1c(NC(=O)[C@H](C)N[C@H](C)[C@H]2OCCc3sccc32)cccc1[N+](=O)[O-] ZINC000292089342 915511824 /nfs/dbraw/zinc/51/18/24/915511824.db2.gz NNKMUXCAEWHKHT-FHSNZYRGSA-N 0 1 389.477 3.584 20 5 GHBDMN Cc1ccc(CSc2nc(-c3ccc4c(c3)OCCO4)n[nH]2)cc1[N+](=O)[O-] ZINC001189033755 916353938 /nfs/dbraw/zinc/35/39/38/916353938.db2.gz CJVXCJPBEKDNDE-UHFFFAOYSA-N 0 1 384.417 3.752 20 5 GHBDMN C[C@@H]1C[C@@H](NCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c2ccccc2O1 ZINC000295033159 917102231 /nfs/dbraw/zinc/10/22/31/917102231.db2.gz LVMRKNHIPQVQJW-AUUYWEPGSA-N 0 1 378.432 3.997 20 5 GHBDMN CC[C@@H](C)c1nc([C@H](C)NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])n[nH]1 ZINC000295605370 917378361 /nfs/dbraw/zinc/37/83/61/917378361.db2.gz CTEJBVOOGALESV-BDAKNGLRSA-N 0 1 385.346 3.736 20 5 GHBDMN COc1c(C)cc(C)cc1S(=O)(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C ZINC000800836672 920510364 /nfs/dbraw/zinc/51/03/64/920510364.db2.gz QMIBZBDTCYDGPC-UHFFFAOYSA-N 0 1 384.841 3.983 20 5 GHBDMN Cc1ccc(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(-c2cnn(C)c2)c1 ZINC000802637556 922273755 /nfs/dbraw/zinc/27/37/55/922273755.db2.gz RWDVLEYDOJAUOV-UHFFFAOYSA-N 0 1 391.475 3.626 20 5 GHBDMN Cc1nn(CN2CCC[C@H](c3nc4ccccc4o3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000748451008 923648139 /nfs/dbraw/zinc/64/81/39/923648139.db2.gz VZHABRCWINOBBT-AWEZNQCLSA-N 0 1 392.419 3.626 20 5 GHBDMN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1nnc(-c2ccsc2)s1 ZINC000373511344 926209024 /nfs/dbraw/zinc/20/90/24/926209024.db2.gz XTHCHZWJWYSVSA-UHFFFAOYSA-N 0 1 376.419 3.826 20 5 GHBDMN CC[C@H](C)N(Cc1ccccc1)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000726586163 926744489 /nfs/dbraw/zinc/74/44/89/926744489.db2.gz HOIMDRCORGBKCZ-INIZCTEOSA-N 0 1 396.447 3.622 20 5 GHBDMN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1CCOc1ccccc1[N+](=O)[O-] ZINC000726602659 926757439 /nfs/dbraw/zinc/75/74/39/926757439.db2.gz YIEBBZRUFQWXHB-JKSUJKDBSA-N 0 1 393.484 3.741 20 5 GHBDMN COc1ccc(CC2CCN(Cn3ncc4ccc([N+](=O)[O-])cc43)CC2)cc1 ZINC000749885852 927331659 /nfs/dbraw/zinc/33/16/59/927331659.db2.gz NASSCVPMGNHAAM-UHFFFAOYSA-N 0 1 380.448 3.865 20 5 GHBDMN Cc1nn(CN(C)CCCOc2cccc(Cl)c2)c2ncc([N+](=O)[O-])cc12 ZINC000749944122 927362529 /nfs/dbraw/zinc/36/25/29/927362529.db2.gz MDCYHHFROHXCJI-UHFFFAOYSA-N 0 1 389.843 3.660 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2noc(CN3CCCC[C@@H]3[C@H](O)c3ccccc3)n2)cc1 ZINC000750609083 927748480 /nfs/dbraw/zinc/74/84/80/927748480.db2.gz PONFORCLRQCSHN-UYAOXDASSA-N 0 1 394.431 3.733 20 5 GHBDMN COc1ccc(CN(C)C[C@@H](O)c2ccccc2Br)cc1[N+](=O)[O-] ZINC000752017473 928554367 /nfs/dbraw/zinc/55/43/67/928554367.db2.gz VXINDXBBKUJORO-MRXNPFEDSA-N 0 1 395.253 3.531 20 5 GHBDMN Cc1cc(Cl)c(S(=O)(=O)Nc2ccc3c(c2)OC(C)(C)O3)cc1[N+](=O)[O-] ZINC000753067225 929188711 /nfs/dbraw/zinc/18/87/11/929188711.db2.gz ZQOJSUGFFBWEGX-UHFFFAOYSA-N 0 1 398.824 3.865 20 5 GHBDMN CCc1ccc([C@H](NC2CCN(C(=O)OC)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000753632857 929454385 /nfs/dbraw/zinc/45/43/85/929454385.db2.gz MUSOZIYVUZMUAN-LJQANCHMSA-N 0 1 387.436 3.660 20 5 GHBDMN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000544812110 929616834 /nfs/dbraw/zinc/61/68/34/929616834.db2.gz JJOXRESCKDPCOA-UHFFFAOYSA-N 0 1 375.454 3.981 20 5 GHBDMN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000544812110 929616842 /nfs/dbraw/zinc/61/68/42/929616842.db2.gz JJOXRESCKDPCOA-UHFFFAOYSA-N 0 1 375.454 3.981 20 5 GHBDMN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000470138504 930399123 /nfs/dbraw/zinc/39/91/23/930399123.db2.gz PYCQQHRBGZXTJB-MRXNPFEDSA-N 0 1 396.382 3.888 20 5 GHBDMN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000470138504 930399129 /nfs/dbraw/zinc/39/91/29/930399129.db2.gz PYCQQHRBGZXTJB-MRXNPFEDSA-N 0 1 396.382 3.888 20 5 GHBDMN C[C@@H](CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)Cc1cccc(F)c1 ZINC000470566561 930718210 /nfs/dbraw/zinc/71/82/10/930718210.db2.gz XWKNTAHMIFPCMD-GFCCVEGCSA-N 0 1 383.383 3.726 20 5 GHBDMN CN(C(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@H]1CCCN(Cc2ccccc2)C1 ZINC000470819448 930939733 /nfs/dbraw/zinc/93/97/33/930939733.db2.gz FOWCBRRWANHPEQ-INIZCTEOSA-N 0 1 387.867 3.985 20 5 GHBDMN CCc1[nH]nc(C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)c1[N+](=O)[O-] ZINC000557833229 931712017 /nfs/dbraw/zinc/71/20/17/931712017.db2.gz JWJVTXLBRIHNKD-LLVKDONJSA-N 0 1 385.449 3.510 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)ccc1OC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000558462876 932015808 /nfs/dbraw/zinc/01/58/08/932015808.db2.gz PXULMEXJZDXURS-QGZVFWFLSA-N 0 1 376.840 3.918 20 5 GHBDMN CCO[C@@H]1C[C@@H](NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@H]1n1cccn1 ZINC000559362819 932628097 /nfs/dbraw/zinc/62/80/97/932628097.db2.gz FNNILQUCMVIPMW-MISYRCLQSA-N 0 1 382.420 3.560 20 5 GHBDMN Cc1c(C(=O)OCc2cc([N+](=O)[O-])ccc2C(F)(F)F)ccc2cncn21 ZINC001117746674 934004751 /nfs/dbraw/zinc/00/47/51/934004751.db2.gz MKZCXNIRZYCLRG-UHFFFAOYSA-N 0 1 379.294 3.927 20 5 GHBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@@H](C)c1ccc(N2CCNC2=O)cc1 ZINC000829731355 935852898 /nfs/dbraw/zinc/85/28/98/935852898.db2.gz MXZFCUPGUPJCDG-HNNXBMFYSA-N 0 1 398.463 3.762 20 5 GHBDMN O=C(NCc1ccccc1)[C@@H](NCCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000467972750 1015086770 /nfs/dbraw/zinc/08/67/70/1015086770.db2.gz FMIGVMOTDRMGNM-QFIPXVFZSA-N 0 1 389.455 3.785 20 5 GHBDMN COc1ccc(OCCN2CCC[C@@H]2CC(=O)c2cccs2)c([N+](=O)[O-])c1 ZINC000468288498 1015548533 /nfs/dbraw/zinc/54/85/33/1015548533.db2.gz KDEROCHUOSHHPT-CQSZACIVSA-N 0 1 390.461 3.781 20 5 GHBDMN COc1cc(S(=O)(=O)Nc2ccccc2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000468886879 1016167097 /nfs/dbraw/zinc/16/70/97/1016167097.db2.gz ISKUGFOOOLTCHK-UHFFFAOYSA-N 0 1 398.440 3.995 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2cc(-c3nc(-c4ccc(-n5ccnc5)cc4)no3)[nH]n2)c1 ZINC001212994963 1032235692 /nfs/dbraw/zinc/23/56/92/1032235692.db2.gz APGSHAHBAQLTOT-UHFFFAOYSA-N 0 1 399.370 3.888 20 5 GHBDMN COc1c(F)cccc1-c1noc(-c2cc(-c3cccc([N+](=O)[O-])c3)n[nH]2)n1 ZINC001212995440 1032289799 /nfs/dbraw/zinc/28/97/99/1032289799.db2.gz ZOZZFZNEOQFGSH-UHFFFAOYSA-N 0 1 381.323 3.850 20 5 GHBDMN CC[NH+](CC)C[C@@H](C)Oc1c([O-])cc(C(=O)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC001227700389 1032521992 /nfs/dbraw/zinc/52/19/92/1032521992.db2.gz RTGDBWCTLBOKME-OAHLLOKOSA-N 0 1 386.448 3.949 20 5 GHBDMN CO[C@@H](CN1CCN(c2nccc3cc([N+](=O)[O-])ccc32)CC1)c1ccccc1 ZINC001155719524 1032662448 /nfs/dbraw/zinc/66/24/48/1032662448.db2.gz OLXMWQVRWCSGTD-NRFANRHFSA-N 0 1 392.459 3.653 20 5 GHBDMN COc1ccc([C@@H](CNC(=O)c2c(C)cccc2[N+](=O)[O-])N2CCCCC2)cc1 ZINC000557926890 1017073911 /nfs/dbraw/zinc/07/39/11/1017073911.db2.gz HPABMBZKLVHHHB-HXUWFJFHSA-N 0 1 397.475 3.869 20 5 GHBDMN O=C(Nc1cc(Cl)c(O)cc1F)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000561653099 1017915278 /nfs/dbraw/zinc/91/52/78/1017915278.db2.gz XZSXSLARGAFRLQ-UHFFFAOYSA-N 0 1 376.731 3.531 20 5 GHBDMN C[N@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)[C@H]1c1cccs1 ZINC000563961205 1018987620 /nfs/dbraw/zinc/98/76/20/1018987620.db2.gz ZHEFDOZGFSEEEW-SJCJKPOMSA-N 0 1 375.450 3.850 20 5 GHBDMN Cc1cc([N+](=O)[O-])c(F)c(C(=O)Nc2cccc3c2OCC[C@@H]3N(C)C)c1F ZINC000834719744 1021403097 /nfs/dbraw/zinc/40/30/97/1021403097.db2.gz NLZVHKYOJOAWCD-ZDUSSCGKSA-N 0 1 391.374 3.819 20 5 GHBDMN O=C([O-])[C@@H]1CSCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000901892926 1021458741 /nfs/dbraw/zinc/45/87/41/1021458741.db2.gz ZGAFRWIPVPQLAP-NSHDSACASA-N 0 1 396.852 3.758 20 5 GHBDMN CC[C@H](NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1nc(C(F)(F)F)cs1 ZINC000754491115 1022736306 /nfs/dbraw/zinc/73/63/06/1022736306.db2.gz BKLFFNUZBUVLPZ-RYUDHWBXSA-N 0 1 375.372 3.844 20 5 GHBDMN CCOc1cc(CN2CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000755066254 1023056650 /nfs/dbraw/zinc/05/66/50/1023056650.db2.gz PJURCXVOKCPGBR-HOCLYGCPSA-N 0 1 393.484 3.871 20 5 GHBDMN O=C(c1ccco1)C(Oc1c2ccccc2oc(=O)c1[N+](=O)[O-])c1ccco1 ZINC001228807485 1033109792 /nfs/dbraw/zinc/10/97/92/1033109792.db2.gz UEBORTCPUSEEGK-GOSISDBHSA-N 0 1 381.296 3.890 20 5 GHBDMN O=C(c1ccco1)[C@H](Oc1c2ccccc2oc(=O)c1[N+](=O)[O-])c1ccco1 ZINC001228807485 1033109800 /nfs/dbraw/zinc/10/98/00/1033109800.db2.gz UEBORTCPUSEEGK-GOSISDBHSA-N 0 1 381.296 3.890 20 5 GHBDMN C[C@H](Oc1nc(C(F)(F)F)cc(O)c1[N+](=O)[O-])c1cc(Br)no1 ZINC001228861045 1033145347 /nfs/dbraw/zinc/14/53/47/1033145347.db2.gz ZVJODKPJDXVURP-BYPYZUCNSA-N 0 1 398.091 3.605 20 5 GHBDMN CC(C)(C)OC(=O)c1cc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)n[nH]1 ZINC001162880189 1025951908 /nfs/dbraw/zinc/95/19/08/1025951908.db2.gz KEBUPRYKPXEAPO-UHFFFAOYSA-N 0 1 388.405 3.740 20 5 GHBDMN CN(Cc1ccc([N+](=O)[O-])c(F)c1)C[C@@H](O)c1cccc(Br)c1 ZINC000839644898 1026158402 /nfs/dbraw/zinc/15/84/02/1026158402.db2.gz YHXCYERPZXYKNB-MRXNPFEDSA-N 0 1 383.217 3.662 20 5 GHBDMN O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2CC3(CN(Cc4ccccc4)C3)C2)c1 ZINC001165124101 1026619874 /nfs/dbraw/zinc/61/98/74/1026619874.db2.gz HNGBHHXWMPPFGT-UHFFFAOYSA-N 0 1 395.850 3.514 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2ccc(CNC[C@@H](O)C(F)(F)C(F)(F)F)o2)c1 ZINC001203471370 1027362645 /nfs/dbraw/zinc/36/26/45/1027362645.db2.gz NMKDWUHEVYLLGD-CYBMUJFWSA-N 0 1 380.269 3.503 20 5 GHBDMN COc1ccc(-c2ccc(CNCc3cc(N(C)C)ccn3)o2)c([N+](=O)[O-])c1 ZINC001203692697 1027539347 /nfs/dbraw/zinc/53/93/47/1027539347.db2.gz ZXFURSRNENJXAM-UHFFFAOYSA-N 0 1 382.420 3.614 20 5 GHBDMN Cc1cc(S(=O)(=O)N[C@@H](c2cccc(Cl)c2)C(F)F)c([N+](=O)[O-])s1 ZINC001213509023 1028232749 /nfs/dbraw/zinc/23/27/49/1028232749.db2.gz FDJVFOLMBLPBJS-NSHDSACASA-N 0 1 396.824 3.903 20 5 GHBDMN COc1cc(Br)c(CNCCc2cccc([N+](=O)[O-])c2)c(OC)c1 ZINC001461412396 1069539243 /nfs/dbraw/zinc/53/92/43/1069539243.db2.gz RDHLUEMVTMZBFO-UHFFFAOYSA-N 0 1 395.253 3.707 20 5 GHBDMN COc1ccc(Cl)cc1-c1noc(-c2cc(O)c(OC)cc2[N+](=O)[O-])n1 ZINC001216343581 1029609873 /nfs/dbraw/zinc/60/98/73/1029609873.db2.gz LLSBDXFGLNNYOJ-UHFFFAOYSA-N 0 1 377.740 3.688 20 5 GHBDMN CC(C)[C@H](N)c1noc(-c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)n1 ZINC000843150408 1029832581 /nfs/dbraw/zinc/83/25/81/1029832581.db2.gz KAJBJLAYZFXFCD-SJCJKPOMSA-N 0 1 382.424 3.869 20 5 GHBDMN O=[N+]([O-])c1cc(O)ccc1-c1nc(-c2ccnc(OCc3ccccc3)c2)no1 ZINC001216893716 1029983781 /nfs/dbraw/zinc/98/37/81/1029983781.db2.gz HAAJXGOWQNHUNV-UHFFFAOYSA-N 0 1 390.355 3.991 20 5 GHBDMN COC(=O)c1c(CO[C@H]2CCC[N@H+]([C@H](C)c3ccccn3)C2)cccc1[N+](=O)[O-] ZINC001223296405 1030513809 /nfs/dbraw/zinc/51/38/09/1030513809.db2.gz ZQEFTJFHXFKRBW-WBVHZDCISA-N 0 1 399.447 3.519 20 5 GHBDMN COC(=O)c1c(CO[C@H]2CCCN([C@H](C)c3ccccn3)C2)cccc1[N+](=O)[O-] ZINC001223296405 1030513822 /nfs/dbraw/zinc/51/38/22/1030513822.db2.gz ZQEFTJFHXFKRBW-WBVHZDCISA-N 0 1 399.447 3.519 20 5 GHBDMN O=C(Nc1cc(C(F)(F)F)ccc1NCc1ccccc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001150415683 1030523600 /nfs/dbraw/zinc/52/36/00/1030523600.db2.gz WKWBRFBJYFSCHI-CZUORRHYSA-N 0 1 379.338 3.921 20 5 GHBDMN Cc1ccc(C(=O)c2cc([O-])c(O[C@@H]3CC[NH2+]CC[C@H]3C)c([N+](=O)[O-])c2)cc1 ZINC001218024214 1030728123 /nfs/dbraw/zinc/72/81/23/1030728123.db2.gz MUMDJRJKMCRWGV-AUUYWEPGSA-N 0 1 384.432 3.607 20 5 GHBDMN N[C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)Nc1ncnc2[nH]ccc21 ZINC001218559431 1030986519 /nfs/dbraw/zinc/98/65/19/1030986519.db2.gz OSDRQQHPLQKMSK-FQEVSTJZSA-N 0 1 381.439 3.773 20 5 GHBDMN Nc1ncc(Cl)nc1NC(=O)[C@@H](N)Cc1c2ccccc2cc2ccccc21 ZINC001218652014 1031019397 /nfs/dbraw/zinc/01/93/97/1031019397.db2.gz HRDXROVLSZLARY-KRWDZBQOSA-N 0 1 391.862 3.527 20 5 GHBDMN Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)NCc1n[nH]c(-c2ccccc2)n1 ZINC001218705313 1031040729 /nfs/dbraw/zinc/04/07/29/1031040729.db2.gz XRAOOLAMQVEOAI-UHFFFAOYSA-N 0 1 386.799 3.663 20 5 GHBDMN Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)NCc1nc(-c2ccccc2)n[nH]1 ZINC001218705313 1031040746 /nfs/dbraw/zinc/04/07/46/1031040746.db2.gz XRAOOLAMQVEOAI-UHFFFAOYSA-N 0 1 386.799 3.663 20 5 GHBDMN Cc1ccc(C[C@H](N)C(=O)n2c3ccccc3cc3c(=O)c(N)ccc2-3)c(C)c1 ZINC001219253701 1031327035 /nfs/dbraw/zinc/32/70/35/1031327035.db2.gz GMBJCYNMOKANHP-FQEVSTJZSA-N 0 1 385.467 3.516 20 5 GHBDMN CC(C)(C)OC(=O)N1CCC2(CC[C@@H]2Oc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC001225488731 1031437296 /nfs/dbraw/zinc/43/72/96/1031437296.db2.gz JZDAWSAZWRBKKE-INIZCTEOSA-N 0 1 378.425 3.859 20 5 GHBDMN Cc1c(CNC(=O)N2C[C@@H](C)N(Cc3ccccc3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC001226215751 1031857861 /nfs/dbraw/zinc/85/78/61/1031857861.db2.gz FFFKUERDWPHIEX-SJORKVTESA-N 0 1 396.491 3.708 20 5 GHBDMN COc1ccc(-c2noc(-c3cc(-c4ccc([N+](=O)[O-])cc4)n[nH]3)n2)c(OC)c1 ZINC001213008341 1033576700 /nfs/dbraw/zinc/57/67/00/1033576700.db2.gz GJEVQIFBAVSBQJ-UHFFFAOYSA-N 0 1 393.359 3.719 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2cc(-c3nc(-c4ccc5nccnc5c4)no3)[nH]n2)cc1 ZINC001213008674 1033602086 /nfs/dbraw/zinc/60/20/86/1033602086.db2.gz XFCOCWRSYRUHRB-UHFFFAOYSA-N 0 1 385.343 3.645 20 5 GHBDMN C[C@@H](Oc1nc2cccc(N3CCN(C)CC3)c2o1)c1ccccc1[N+](=O)[O-] ZINC001230103793 1033899633 /nfs/dbraw/zinc/89/96/33/1033899633.db2.gz OGJKMVGTGVGMTM-CQSZACIVSA-N 0 1 382.420 3.628 20 5 GHBDMN CC(C)(C)OC(=O)N1CCCC[C@@H](Oc2cc3[nH]ncc3cc2[N+](=O)[O-])C1 ZINC001230596963 1034139232 /nfs/dbraw/zinc/13/92/32/1034139232.db2.gz YMQPWFNBZSEMQL-CYBMUJFWSA-N 0 1 376.413 3.640 20 5 GHBDMN O=[N+]([O-])c1ccccc1N1CC[C@H](Oc2nc3cc(Cl)nc(Cl)c3[nH]2)C1 ZINC001231049914 1034365637 /nfs/dbraw/zinc/36/56/37/1034365637.db2.gz NWRGKKOYHAFDPN-VIFPVBQESA-N 0 1 394.218 3.831 20 5 GHBDMN O=C(Nc1n[nH]c2nc(C(F)(F)F)ccc12)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001159611165 1034688568 /nfs/dbraw/zinc/68/85/68/1034688568.db2.gz WDLYZZDWOLGSIA-NWDGAFQWSA-N 0 1 391.309 3.627 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)c(Cl)nc1NC1CCN(Cc2ccncc2)CC1 ZINC001161101053 1035142222 /nfs/dbraw/zinc/14/22/22/1035142222.db2.gz HQKZTLCLFATRRQ-UHFFFAOYSA-N 0 1 382.251 3.768 20 5 GHBDMN O=[N+]([O-])c1ccc2oc(CN[C@@H]3CCN(c4ccc(F)c(Cl)c4)C3)nc2c1 ZINC001462002703 1069939292 /nfs/dbraw/zinc/93/92/92/1069939292.db2.gz RKCIZQFHACABGX-LLVKDONJSA-N 0 1 390.802 3.897 20 5 GHBDMN O=C(Nc1n[nH]c2cnc(Br)cc12)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001462200421 1070077024 /nfs/dbraw/zinc/07/70/24/1070077024.db2.gz QOBUNCYMELCRFB-UHFFFAOYSA-N 0 1 396.588 3.534 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(CN[C@@H](CO)CC(F)(F)F)o1 ZINC001253671590 1039761071 /nfs/dbraw/zinc/76/10/71/1039761071.db2.gz NLNMYTWWRWNEGP-SNVBAGLBSA-N 0 1 378.734 3.911 20 5 GHBDMN O=[N+]([O-])c1ccc(N2CCC(NC3(c4ccc(Cl)cc4)COC3)CC2)cc1 ZINC001254466574 1040252398 /nfs/dbraw/zinc/25/23/98/1040252398.db2.gz DQCDARGYCPNYJV-UHFFFAOYSA-N 0 1 387.867 3.732 20 5 GHBDMN C[C@H](Cc1ccccc1[N+](=O)[O-])NCC(=O)c1ccc(Br)cc1 ZINC001254530733 1040302717 /nfs/dbraw/zinc/30/27/17/1040302717.db2.gz ALAWXVPQASOYTG-GFCCVEGCSA-N 0 1 377.238 3.761 20 5 GHBDMN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC001254550605 1040319981 /nfs/dbraw/zinc/31/99/81/1040319981.db2.gz NCDHNGRBEHPUKG-NVXWUHKLSA-N 0 1 377.485 3.905 20 5 GHBDMN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCC[C@H](NC(=O)OC(C)(C)C)[C@H]1C ZINC001254569067 1040344904 /nfs/dbraw/zinc/34/49/04/1040344904.db2.gz HLJLZTZSHHKRML-INMHGKMJSA-N 0 1 377.485 3.903 20 5 GHBDMN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H]1C ZINC001254569066 1040345265 /nfs/dbraw/zinc/34/52/65/1040345265.db2.gz HLJLZTZSHHKRML-HLLBOEOZSA-N 0 1 377.485 3.903 20 5 GHBDMN O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CCN(c3cccc(C(F)(F)F)c3)CC1)C2 ZINC001254596046 1040369447 /nfs/dbraw/zinc/36/94/47/1040369447.db2.gz BFIQFTDZWOAZFQ-LJQANCHMSA-N 0 1 391.393 3.903 20 5 GHBDMN CCN(CC)[C@H](CNC(=O)CCc1ccc([N+](=O)[O-])cc1Cl)c1ccco1 ZINC001292281310 1043662719 /nfs/dbraw/zinc/66/27/19/1043662719.db2.gz KAXBEZRJZIIUMO-QGZVFWFLSA-N 0 1 393.871 3.973 20 5 GHBDMN Cc1cc(C)n(Cc2cccc(-c3nnc(-c4cc(O)cc([N+](=O)[O-])c4)o3)c2)n1 ZINC001257482979 1044014267 /nfs/dbraw/zinc/01/42/67/1044014267.db2.gz BKCSMNBCTMYOOW-UHFFFAOYSA-N 0 1 391.387 3.879 20 5 GHBDMN CC(C)c1ncc(CNc2c3ccc(Br)cc3ncc2[N+](=O)[O-])[nH]1 ZINC001307218932 1045385908 /nfs/dbraw/zinc/38/59/08/1045385908.db2.gz FGGQVVVKQXJCHD-UHFFFAOYSA-N 0 1 390.241 3.786 20 5 GHBDMN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1CCC[C@H](OC2CCC2)CC1 ZINC001302617784 1047007710 /nfs/dbraw/zinc/00/77/10/1047007710.db2.gz JIRMZCBFDBUIHW-KRWDZBQOSA-N 0 1 384.436 3.549 20 5 GHBDMN CCc1ccc(C(=O)N2CCc3nc[nH]c3[C@@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC001303199696 1047310681 /nfs/dbraw/zinc/31/06/81/1047310681.db2.gz NKPSSDCZANAYQA-FQEVSTJZSA-N 0 1 394.406 3.807 20 5 GHBDMN C[C@H](NC(=O)c1ccc(-c2ccc(C=O)o2)cc1O)c1ccccc1[N+](=O)[O-] ZINC001303300135 1047348890 /nfs/dbraw/zinc/34/88/90/1047348890.db2.gz FPHFVSGWMDVXOE-LBPRGKRZSA-N 0 1 380.356 3.864 20 5 GHBDMN C[C@@H](NC(=O)c1cc(Br)cc(F)c1O)c1ccc([N+](=O)[O-])cc1 ZINC001303499115 1047406052 /nfs/dbraw/zinc/40/60/52/1047406052.db2.gz WCSHNFDQNKXRQV-MRVPVSSYSA-N 0 1 383.173 3.693 20 5 GHBDMN COc1cc(CN2CC[C@@H](Nc3ccc(Cl)cc3[N+](=O)[O-])C2)cc(OC)c1 ZINC001306995054 1048997086 /nfs/dbraw/zinc/99/70/86/1048997086.db2.gz JPYWBUGJQGKBHK-OAHLLOKOSA-N 0 1 391.855 3.952 20 5 GHBDMN O=[N+]([O-])c1cnc2c(Cl)cccc2c1NC[C@H]1CCN1Cc1ccccc1 ZINC001307170660 1049117318 /nfs/dbraw/zinc/11/73/18/1049117318.db2.gz ISXIERAVCULENL-OAHLLOKOSA-N 0 1 382.851 3.905 20 5 GHBDMN O=C([O-])CC[C@@H]1CCCC[N@H+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000901998845 1049238284 /nfs/dbraw/zinc/23/82/84/1049238284.db2.gz ZYGVQBUAMWKAIG-KRWDZBQOSA-N 0 1 375.469 3.804 20 5 GHBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCOC[C@H]1c1cccc(Br)c1 ZINC001307933067 1049705155 /nfs/dbraw/zinc/70/51/55/1049705155.db2.gz LVSZFGZIJSTTFC-KRWDZBQOSA-N 0 1 393.237 3.636 20 5 GHBDMN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H](CC(C)(C)C)C(F)(F)F)c1C ZINC001309357360 1050630819 /nfs/dbraw/zinc/63/08/19/1050630819.db2.gz MQRHZIXEUPRZGX-GFCCVEGCSA-N 0 1 382.404 3.857 20 5 GHBDMN Cc1ccc(CCNS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)cc1C ZINC001309666481 1050909448 /nfs/dbraw/zinc/90/94/48/1050909448.db2.gz LRMUCRXADBFXOF-UHFFFAOYSA-N 0 1 386.832 3.525 20 5 GHBDMN COc1ccccc1-c1noc([C@H](C)NCCCOc2ccc([N+](=O)[O-])cc2)n1 ZINC001330636864 1051049335 /nfs/dbraw/zinc/04/93/35/1051049335.db2.gz FRWKTQVXTPOROK-AWEZNQCLSA-N 0 1 398.419 3.773 20 5 GHBDMN Cc1c(NC(=O)c2ccc3cncn3c2C)cc(Br)cc1[N+](=O)[O-] ZINC001321141980 1056116002 /nfs/dbraw/zinc/11/60/02/1056116002.db2.gz CEBROPGDUBPXQW-UHFFFAOYSA-N 0 1 389.209 3.874 20 5 GHBDMN Cc1c(NC(=O)N2CCN(C(C)(C)C)CC2)cc(Br)cc1[N+](=O)[O-] ZINC001321267242 1056199896 /nfs/dbraw/zinc/19/98/96/1056199896.db2.gz IIBYMJTXCJDJKC-UHFFFAOYSA-N 0 1 399.289 3.614 20 5 GHBDMN COc1cc(S(=O)(=O)Nc2cccc3nc4ccccc4nc32)ccc1F ZINC001200551472 1056305809 /nfs/dbraw/zinc/30/58/09/1056305809.db2.gz LDQDKQMSIMUQDX-UHFFFAOYSA-N 0 1 383.404 3.732 20 5 GHBDMN O=C(Nc1ccc(OCCCOc2ccccc2)c(Cl)c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001439758667 1058293255 /nfs/dbraw/zinc/29/32/55/1058293255.db2.gz UPDGPQAHFGLFQM-NVXWUHKLSA-N 0 1 390.823 3.792 20 5 GHBDMN CN(C)c1ccc(Cl)cc1NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001442753045 1059001082 /nfs/dbraw/zinc/00/10/82/1059001082.db2.gz UNOASCXNHMYJAS-UHFFFAOYSA-N 0 1 385.811 3.957 20 5 GHBDMN O=C(Nc1ccc(F)cc1NC1CC1)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001446087997 1059697330 /nfs/dbraw/zinc/69/73/30/1059697330.db2.gz QEVQQIVPWVYKBW-UHFFFAOYSA-N 0 1 381.367 3.951 20 5 GHBDMN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1CC(Cc2ccc(F)c(F)c2)C1 ZINC001447782928 1060026315 /nfs/dbraw/zinc/02/63/15/1060026315.db2.gz BNKZDZVMOOHNFX-UHFFFAOYSA-N 0 1 398.369 3.578 20 5 GHBDMN CC1(C)CN(C(=O)c2cc([N+](=O)[O-])ccc2N)C(C)(C)CN1Cc1ccccc1 ZINC001454115238 1061608233 /nfs/dbraw/zinc/60/82/33/1061608233.db2.gz GZXYWKGZBNHYBS-UHFFFAOYSA-N 0 1 396.491 3.692 20 5 GHBDMN O=C(C=Cc1ccc([N+](=O)[O-])cc1)N1CCc2nc[nH]c2[C@H]1c1ccc(F)cc1 ZINC001455314110 1062101274 /nfs/dbraw/zinc/10/12/74/1062101274.db2.gz IEEHSNCBIPLUCT-MZIHHIFMSA-N 0 1 392.390 3.645 20 5 GHBDMN CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(CC2CCCCC2)CC1 ZINC001434916338 1062105641 /nfs/dbraw/zinc/10/56/41/1062105641.db2.gz SSYCVQURYKBOQP-UHFFFAOYSA-N 0 1 377.510 3.655 20 5 GHBDMN COc1ccc([C@H](NC(C)C)C(=O)Nc2nccc3c2cccc3[N+](=O)[O-])cc1 ZINC001457892498 1063424366 /nfs/dbraw/zinc/42/43/66/1063424366.db2.gz CDJDQXGWJXVVCI-IBGZPJMESA-N 0 1 394.431 3.829 20 5 GHBDMN CCN(CC)CC(=O)Nc1cccc(NC(=O)c2c(C)ccc([N+](=O)[O-])c2C)c1 ZINC001436582171 1063545708 /nfs/dbraw/zinc/54/57/08/1063545708.db2.gz GLAMYIRKQGLDCA-UHFFFAOYSA-N 0 1 398.463 3.744 20 5 GHBDMN CN(C(=O)CN1CCC[C@@]2(CCCc3ccccc32)C1)c1ccc([N+](=O)[O-])cc1 ZINC001459625810 1064148855 /nfs/dbraw/zinc/14/88/55/1064148855.db2.gz XUCFQXQTNJMIMO-QHCPKHFHSA-N 0 1 393.487 3.928 20 5 GHBDMN CC(C)[C@@](C)(NCc1cn(C)nc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC001459953651 1064300380 /nfs/dbraw/zinc/30/03/80/1064300380.db2.gz XIGMQRCXPWJOOA-MRXNPFEDSA-N 0 1 381.274 3.752 20 5 GHBDMN O=C(Nc1cccc(CN2CCSCC2)c1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001358095593 1067396742 /nfs/dbraw/zinc/39/67/42/1067396742.db2.gz NZKSCZAKIKOTSG-UXHICEINSA-N 0 1 397.500 3.886 20 5 GHBDMN CCOc1ccc(C(=O)Nc2cccc(O)c2Br)cc1[N+](=O)[O-] ZINC001468252522 1067652689 /nfs/dbraw/zinc/65/26/89/1067652689.db2.gz ZNRJEOFFGYWSOP-UHFFFAOYSA-N 0 1 381.182 3.714 20 5 GHBDMN C[C@@H]1CN(C(=O)NCc2cccc([N+](=O)[O-])c2)[C@H](C)[C@@H](C)N1Cc1ccccc1 ZINC001468996801 1067948079 /nfs/dbraw/zinc/94/80/79/1067948079.db2.gz VEDNTLCBNLTIRZ-KZNAEPCWSA-N 0 1 396.491 3.788 20 5 GHBDMN CCC1(CC)[C@H](NCc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C[C@@H]1OC ZINC001460072187 1068762035 /nfs/dbraw/zinc/76/20/35/1068762035.db2.gz XXZSGYBPNQZCOS-CABCVRRESA-N 0 1 394.859 3.982 20 5 GHBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@](C)(C(=O)OC(C)(C)C)C1 ZINC001460205018 1068858592 /nfs/dbraw/zinc/85/85/92/1068858592.db2.gz YALHFOKUNPWBRG-FQEVSTJZSA-N 0 1 378.469 3.936 20 5 GHBDMN CCOc1cc(CN2C[C@H](C)C[C@@H](C(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC001460258727 1068889023 /nfs/dbraw/zinc/88/90/23/1068889023.db2.gz QYRTVIYJQRAZTH-GDBMZVCRSA-N 0 1 378.469 3.793 20 5 GHBDMN CC[C@H](NC(=O)NCCN(CC)CCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC001478366878 1078835866 /nfs/dbraw/zinc/83/58/66/1078835866.db2.gz XNBCLAHHPPEUBY-HNNXBMFYSA-N 0 1 390.406 3.619 20 5 GHBDMN C[C@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC001470780782 1072736992 /nfs/dbraw/zinc/73/69/92/1072736992.db2.gz OPWMIMUYQGAFHV-JXFKEZNVSA-N 0 1 399.516 3.714 20 5 GHBDMN CC[C@@H]1CN(c2nc3c(cc2[N+](=O)[O-])CCCC3)CCN1Cc1ccccc1 ZINC001472753512 1073651107 /nfs/dbraw/zinc/65/11/07/1073651107.db2.gz TVBLJSPCKBVURG-LJQANCHMSA-N 0 1 380.492 3.969 20 5 GHBDMN Cc1cc(CNC(=O)C(F)(F)F)cc(Nc2c([N+](=O)[O-])cccc2[N+](=O)[O-])c1 ZINC001472781529 1073663052 /nfs/dbraw/zinc/66/30/52/1073663052.db2.gz JNYBTEUYIOAYDU-UHFFFAOYSA-N 0 1 398.297 3.734 20 5 GHBDMN CN(Cc1nc2ccc(C(F)(F)F)cc2[nH]1)c1nc2ccccn2c1[N+](=O)[O-] ZINC001472858971 1073697867 /nfs/dbraw/zinc/69/78/67/1073697867.db2.gz PNTYXPORWJYUGI-UHFFFAOYSA-N 0 1 390.325 3.774 20 5 GHBDMN C[C@@H](NC(=O)N1C[C@H](C)N(Cc2ccccc2)C[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC001479212940 1079155668 /nfs/dbraw/zinc/15/56/68/1079155668.db2.gz NZWTZOQNPOTKJR-RCCFBDPRSA-N 0 1 396.491 3.960 20 5 GHBDMN Cc1c(NC(=O)[C@@H](C)N2CCN([C@@H](C)c3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC001473755460 1074124425 /nfs/dbraw/zinc/12/44/25/1074124425.db2.gz NMQDPUSHZRKWMC-ZWKOTPCHSA-N 0 1 396.491 3.609 20 5 GHBDMN COc1cc2c(cc1OC)C1(CCC1)N(CCOc1ccccc1[N+](=O)[O-])CC2 ZINC001473802064 1074149448 /nfs/dbraw/zinc/14/94/48/1074149448.db2.gz ONHYXYYZBBSMEG-UHFFFAOYSA-N 0 1 398.459 3.928 20 5 GHBDMN C[C@H]1CN(c2ccccc2CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)CCO1 ZINC001474318148 1074340356 /nfs/dbraw/zinc/34/03/56/1074340356.db2.gz AKUGEBLLHFXDLH-KRWDZBQOSA-N 0 1 381.476 3.985 20 5 GHBDMN COc1c(O)ccc(CN[C@H](C)c2ccc(Br)cc2)c1[N+](=O)[O-] ZINC001474478873 1074424486 /nfs/dbraw/zinc/42/44/86/1074424486.db2.gz DHNIBOQBCJWDJQ-SNVBAGLBSA-N 0 1 381.226 3.922 20 5 GHBDMN Cc1ccc(C[C@H](CO)NCc2c(Br)cccc2[N+](=O)[O-])cc1C ZINC001662582283 1126265675 /nfs/dbraw/zinc/26/56/75/1126265675.db2.gz LSIDBAZUJGONTD-OAHLLOKOSA-N 0 1 393.281 3.667 20 5 GHBDMN O=C([O-])[C@@H]1Cc2ccccc2C[N@@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000833193713 604467829 /nfs/dbraw/zinc/46/78/29/604467829.db2.gz JSIGSBPTFYVDIJ-SFHVURJKSA-N 0 1 395.440 3.730 20 5 GHBDMN O=C([O-])[C@@H]1Cc2ccccc2C[N@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000833193713 604467833 /nfs/dbraw/zinc/46/78/33/604467833.db2.gz JSIGSBPTFYVDIJ-SFHVURJKSA-N 0 1 395.440 3.730 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CC[C@H]2[C@@H]1CCN2Cc1cccnc1 ZINC001164721211 720358404 /nfs/dbraw/zinc/35/84/04/720358404.db2.gz BQMAZZNELYFEMR-KBPBESRZSA-N 0 1 394.262 3.545 20 5 GHBDMN O=[N+]([O-])c1ccc2nc(Cl)cc(N3CCN(CCc4ccccn4)CC3)c2c1 ZINC001165054760 722017430 /nfs/dbraw/zinc/01/74/30/722017430.db2.gz BHHAHKYQBHKKFK-UHFFFAOYSA-N 0 1 397.866 3.556 20 5 GHBDMN CC[C@@H](N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccc2c(c1)OCCO2 ZINC000180637087 837402847 /nfs/dbraw/zinc/40/28/47/837402847.db2.gz ZBLYSPPCGAKCEQ-GOEBONIOSA-N 0 1 399.447 3.742 20 5 GHBDMN COc1ccc(-c2n[nH]c(SCc3nc4cc([N+](=O)[O-])ccc4o3)n2)cc1 ZINC000176933784 837605109 /nfs/dbraw/zinc/60/51/09/837605109.db2.gz UMTCHXGZVAXMJW-UHFFFAOYSA-N 0 1 383.389 3.822 20 5 GHBDMN CC(C)Oc1cc(C(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000412214663 837817255 /nfs/dbraw/zinc/81/72/55/837817255.db2.gz GODKOLQAZSXTHL-FXAWDEMLSA-N 0 1 383.448 3.557 20 5 GHBDMN Cc1cc(N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000573004022 835069758 /nfs/dbraw/zinc/06/97/58/835069758.db2.gz KBGSGYMQJGDUKB-MAUKXSAKSA-N 0 1 383.448 3.924 20 5 GHBDMN Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CCC[C@H]2C[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000246900261 835286465 /nfs/dbraw/zinc/28/64/65/835286465.db2.gz XRIZGXAWMGTIAQ-MMOPVJDHSA-N 0 1 397.475 3.818 20 5 GHBDMN Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCC[C@H]2C[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000246900261 835286470 /nfs/dbraw/zinc/28/64/70/835286470.db2.gz XRIZGXAWMGTIAQ-MMOPVJDHSA-N 0 1 397.475 3.818 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@H](C)c1cc(C)sc1C ZINC000179373977 835651663 /nfs/dbraw/zinc/65/16/63/835651663.db2.gz YFNVZXNTZPXUOB-VXGBXAGGSA-N 0 1 377.466 3.960 20 5 GHBDMN CC(C)Oc1cccc([C@@H](C)NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)c1 ZINC000179666601 835931837 /nfs/dbraw/zinc/93/18/37/835931837.db2.gz FHMMXSDWTLIAHR-OAHLLOKOSA-N 0 1 383.448 3.622 20 5 GHBDMN COc1c(O)ccc(CNCc2ccc(OCC(F)(F)F)cc2)c1[N+](=O)[O-] ZINC000892490141 836130078 /nfs/dbraw/zinc/13/00/78/836130078.db2.gz NIAZUHIVWLWNKO-UHFFFAOYSA-N 0 1 386.326 3.540 20 5 GHBDMN CN(C)[C@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccccc1 ZINC000024352251 836382457 /nfs/dbraw/zinc/38/24/57/836382457.db2.gz VHDGCKWJXFJACF-HSZRJFAPSA-N 0 1 399.494 3.574 20 5 GHBDMN Cc1cscc1NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000161646076 837070754 /nfs/dbraw/zinc/07/07/54/837070754.db2.gz LJHCKUCVBCGCJS-UHFFFAOYSA-N 0 1 377.241 3.528 20 5 GHBDMN Cc1[nH]nc2cc(NC(=O)Cc3ccc([N+](=O)[O-])cc3Br)ccc12 ZINC000180324440 837127529 /nfs/dbraw/zinc/12/75/29/837127529.db2.gz QVOFYDLDERLBAA-UHFFFAOYSA-N 0 1 389.209 3.723 20 5 GHBDMN C[C@H](NCc1cc(I)cc([N+](=O)[O-])c1)c1cccc(O)c1 ZINC000580015805 838392098 /nfs/dbraw/zinc/39/20/98/838392098.db2.gz BTKZJHRXVLKMBC-JTQLQIEISA-N 0 1 398.200 3.756 20 5 GHBDMN C[C@H](N[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000189994839 838518195 /nfs/dbraw/zinc/51/81/95/838518195.db2.gz FJNQCLNUTHJDMQ-ORAYPTAESA-N 0 1 389.402 3.715 20 5 GHBDMN CC(C)c1nc2c([nH]1)CC[C@@H](C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)C2 ZINC000376624964 838605830 /nfs/dbraw/zinc/60/58/30/838605830.db2.gz AZNPSNGAQDOUQL-CQSZACIVSA-N 0 1 382.464 3.737 20 5 GHBDMN CC(C)NC(=O)[C@@H](C)NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000414540191 838614640 /nfs/dbraw/zinc/61/46/40/838614640.db2.gz GDCVITWFAICJFB-CYBMUJFWSA-N 0 1 375.400 3.529 20 5 GHBDMN C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000610446072 839711325 /nfs/dbraw/zinc/71/13/25/839711325.db2.gz OWLNTUBHZDRYMK-HNNXBMFYSA-N 0 1 387.867 3.985 20 5 GHBDMN CN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1CCCN(c2ccccc2)C1 ZINC000177795042 839902210 /nfs/dbraw/zinc/90/22/10/839902210.db2.gz ZCQXCHCIDRVQTA-LJQANCHMSA-N 0 1 383.448 3.562 20 5 GHBDMN Cc1ccc(-c2[nH][nH]c(=NC(=O)c3ccc([N+](=O)[O-])c(OC(C)C)c3)c2C)o1 ZINC000412204439 839991688 /nfs/dbraw/zinc/99/16/88/839991688.db2.gz XATJDMWEYDCPMG-UHFFFAOYSA-N 0 1 384.392 3.656 20 5 GHBDMN O=[N+]([O-])c1cc(CN(Cc2ccccc2)C2(CO)CCCC2)c2c(c1)COCO2 ZINC000599433142 861204346 /nfs/dbraw/zinc/20/43/46/861204346.db2.gz BQDHBKWSBXJNTB-UHFFFAOYSA-N 0 1 398.459 3.769 20 5 GHBDMN Cc1cc(N2CCN(C(=O)c3ccc(F)cc3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302134456 861215182 /nfs/dbraw/zinc/21/51/82/861215182.db2.gz CUJPUUHYFDFISP-UHFFFAOYSA-N 0 1 394.406 3.553 20 5 GHBDMN Cc1cc(N2CCN(Cc3ccc(Cl)nc3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302194971 861236641 /nfs/dbraw/zinc/23/66/41/861236641.db2.gz SHQHIHCWFKCNMO-UHFFFAOYSA-N 0 1 397.866 3.822 20 5 GHBDMN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@@H]2c2cccc(Cl)c2)c1 ZINC000603840647 861242128 /nfs/dbraw/zinc/24/21/28/861242128.db2.gz PGKDOSOPXLWCMQ-IEBWSBKVSA-N 0 1 376.840 3.825 20 5 GHBDMN O=C(CN1CCCCCC1)Nc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000045941784 841874834 /nfs/dbraw/zinc/87/48/34/841874834.db2.gz KKNZMMWSQBGCCP-UHFFFAOYSA-N 0 1 396.447 3.662 20 5 GHBDMN C[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1cccc(C(F)(F)F)c1 ZINC000028063520 861247890 /nfs/dbraw/zinc/24/78/90/861247890.db2.gz BGHKTZCPPXPVDH-SECBINFHSA-N 0 1 378.310 3.981 20 5 GHBDMN O=[N+]([O-])c1ccc([O-])cc1C[NH+]1CCC(Cc2nc(C3CCCC3)no2)CC1 ZINC000599507294 861264572 /nfs/dbraw/zinc/26/45/72/861264572.db2.gz RYWJXLBRLBUDLW-UHFFFAOYSA-N 0 1 386.452 3.796 20 5 GHBDMN Cc1ccc(NC(=O)C(C)C)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000055592056 861264429 /nfs/dbraw/zinc/26/44/29/861264429.db2.gz BSVKNAUHFQYLAF-UHFFFAOYSA-N 0 1 391.449 3.607 20 5 GHBDMN Cc1ccc([C@H](CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])N2CCCC2)o1 ZINC000176024925 842211654 /nfs/dbraw/zinc/21/16/54/842211654.db2.gz VKFDIZOVUJWKHV-HNNXBMFYSA-N 0 1 377.828 3.717 20 5 GHBDMN COC(=O)COc1ccc(CN[C@H](C)c2ccccc2SC)cc1[N+](=O)[O-] ZINC000500449136 842390926 /nfs/dbraw/zinc/39/09/26/842390926.db2.gz UJJZRIOEFMSCGS-CYBMUJFWSA-N 0 1 390.461 3.719 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)c1[N+](=O)[O-] ZINC000610918099 842524094 /nfs/dbraw/zinc/52/40/94/842524094.db2.gz MLUJYIYNVLSAOM-GFCCVEGCSA-N 0 1 383.408 3.602 20 5 GHBDMN O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000432481654 842645354 /nfs/dbraw/zinc/64/53/54/842645354.db2.gz XGHHBYKKQWIZNH-UHFFFAOYSA-N 0 1 383.404 3.569 20 5 GHBDMN CN(C(=O)CN1CCC[C@H](c2cc3ccccc3[nH]2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000603890275 861336767 /nfs/dbraw/zinc/33/67/67/861336767.db2.gz XHJDBHUXKDOQSO-KRWDZBQOSA-N 0 1 392.459 3.919 20 5 GHBDMN Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccc2nc(-c3ccccc3Cl)[nH]c2c1 ZINC000120345569 842947409 /nfs/dbraw/zinc/94/74/09/842947409.db2.gz YBRSOHDXWADTEX-UHFFFAOYSA-N 0 1 396.794 3.777 20 5 GHBDMN C[C@H]1CCCN(c2ccc(C(=O)N3CCC(c4cnc[nH]4)CC3)cc2[N+](=O)[O-])C1 ZINC000610579615 843069821 /nfs/dbraw/zinc/06/98/21/843069821.db2.gz FMAXDRUQAQVWSR-HNNXBMFYSA-N 0 1 397.479 3.574 20 5 GHBDMN C[C@H](c1ccc(-n2cncn2)cc1)N(C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610580875 843075792 /nfs/dbraw/zinc/07/57/92/843075792.db2.gz SBFDVIHTIQKGJM-CYBMUJFWSA-N 0 1 378.392 3.510 20 5 GHBDMN COc1ccc(NC(=O)CN(Cc2ccccc2)[C@@H](C)C2CC2)c([N+](=O)[O-])c1 ZINC000024672971 843079817 /nfs/dbraw/zinc/07/98/17/843079817.db2.gz VQEQTXVYSFPABX-HNNXBMFYSA-N 0 1 383.448 3.843 20 5 GHBDMN C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000432587060 843224651 /nfs/dbraw/zinc/22/46/51/843224651.db2.gz HUSUSADGKLDFDC-ZIAGYGMSSA-N 0 1 397.431 3.671 20 5 GHBDMN COc1ccc(C(C)(C)NCC(=O)Nc2c(C)cccc2[N+](=O)[O-])cc1F ZINC000599599354 861397767 /nfs/dbraw/zinc/39/77/67/861397767.db2.gz NYQKTDSLGYKQKH-UHFFFAOYSA-N 0 1 375.400 3.514 20 5 GHBDMN O=C(CCN1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000610614389 843298238 /nfs/dbraw/zinc/29/82/38/843298238.db2.gz QKWFPAJYYCONEL-NXEZZACHSA-N 0 1 399.291 3.596 20 5 GHBDMN COc1cc(CNCc2cc(Br)ccc2C)c([N+](=O)[O-])cc1O ZINC000190298610 843701888 /nfs/dbraw/zinc/70/18/88/843701888.db2.gz RCKUOQQWMBVZSQ-UHFFFAOYSA-N 0 1 381.226 3.670 20 5 GHBDMN C[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1OC(F)F ZINC000056196583 861451435 /nfs/dbraw/zinc/45/14/35/861451435.db2.gz BMFHEHYWINOXPL-VXGBXAGGSA-N 0 1 379.363 3.874 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1CN[C@@](C)(CO)c1ccc(Br)cc1 ZINC000512857122 843894934 /nfs/dbraw/zinc/89/49/34/843894934.db2.gz QEKBMIDXGJTTET-KRWDZBQOSA-N 0 1 379.254 3.663 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000067139991 844986795 /nfs/dbraw/zinc/98/67/95/844986795.db2.gz XDQUPZXLKDYKMY-UHFFFAOYSA-N 0 1 387.867 3.951 20 5 GHBDMN C[C@@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccccc1C(F)(F)F ZINC000538259790 845350923 /nfs/dbraw/zinc/35/09/23/845350923.db2.gz OPLPXLUOUXNZNA-GFCCVEGCSA-N 0 1 393.365 3.854 20 5 GHBDMN CC(=O)Nc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)ccc1C ZINC000176638954 845378121 /nfs/dbraw/zinc/37/81/21/845378121.db2.gz LOXUPRZDMXCMII-UHFFFAOYSA-N 0 1 397.840 3.624 20 5 GHBDMN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc2[nH]c(C3CCC3)nc2c1 ZINC000433811890 845396481 /nfs/dbraw/zinc/39/64/81/845396481.db2.gz LRKAOYMDLATPNB-UHFFFAOYSA-N 0 1 386.433 3.848 20 5 GHBDMN Cn1ccnc1[C@@H](NC[C@H]1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000611560650 845457445 /nfs/dbraw/zinc/45/74/45/845457445.db2.gz MOCAGHOFKUFHCM-KKSFZXQISA-N 0 1 376.460 3.812 20 5 GHBDMN CC(C)Oc1ccc([C@H](C)NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cc1 ZINC000182629698 845482316 /nfs/dbraw/zinc/48/23/16/845482316.db2.gz CZKWDMIWGOJGQA-HNNXBMFYSA-N 0 1 383.448 3.622 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@H](C)c1cc(C)ccc1OC ZINC000015500098 845601427 /nfs/dbraw/zinc/60/14/27/845601427.db2.gz PHZYEQKIXLOVFD-ZIAGYGMSSA-N 0 1 387.436 3.598 20 5 GHBDMN CN1CCN(c2ccc(Br)cc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000320783414 846018148 /nfs/dbraw/zinc/01/81/48/846018148.db2.gz JMAVJAPULKJFOE-KRWDZBQOSA-N 0 1 376.254 3.850 20 5 GHBDMN CC[C@H]1C[C@]1(NCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1cccc(C)c1 ZINC000502578959 846224090 /nfs/dbraw/zinc/22/40/90/846224090.db2.gz MPBYYYZULQRDRR-YCRPNKLZSA-N 0 1 383.448 3.765 20 5 GHBDMN COc1ccccc1[C@H]1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000157919802 846253535 /nfs/dbraw/zinc/25/35/35/846253535.db2.gz SHKAWTRNOISOEK-HNNXBMFYSA-N 0 1 380.404 3.643 20 5 GHBDMN COc1ccc(C2(NC(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)CCCC2)cc1 ZINC000072066935 846337992 /nfs/dbraw/zinc/33/79/92/846337992.db2.gz XNIVHBYVCRWYQH-UHFFFAOYSA-N 0 1 380.404 3.679 20 5 GHBDMN NC(=O)c1ccc(NC[C@H](c2ccccc2Cl)N2CCCC2)c([N+](=O)[O-])c1 ZINC000024154226 846392556 /nfs/dbraw/zinc/39/25/56/846392556.db2.gz VQQQWXMHRUQAFN-GOSISDBHSA-N 0 1 388.855 3.596 20 5 GHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(Cl)c(OC(F)F)c2)cc1 ZINC000183145433 846403959 /nfs/dbraw/zinc/40/39/59/846403959.db2.gz MBNOGYAXHKAFNV-UHFFFAOYSA-N 0 1 378.740 3.650 20 5 GHBDMN COC(=O)[C@H](Cc1ccccc1)[C@H](C)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000551719814 846486691 /nfs/dbraw/zinc/48/66/91/846486691.db2.gz KMQNJLSDZOWZKJ-SUMWQHHRSA-N 0 1 376.840 3.758 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N(CCc2ccccc2)Cc2ccncc2)c1[N+](=O)[O-] ZINC000434183267 847213969 /nfs/dbraw/zinc/21/39/69/847213969.db2.gz MYKLZLFECGJEKT-UHFFFAOYSA-N 0 1 393.447 3.721 20 5 GHBDMN O=C(Nc1nnc(-c2c(F)cccc2Cl)s1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000478762587 847244539 /nfs/dbraw/zinc/24/45/39/847244539.db2.gz DMBHOXPHKCYJND-UHFFFAOYSA-N 0 1 394.771 3.864 20 5 GHBDMN CC(C)CN1Cc2cccc(NC(=O)CN(C)c3ccccc3[N+](=O)[O-])c2C1 ZINC000158323288 847279178 /nfs/dbraw/zinc/27/91/78/847279178.db2.gz PBUJAJGJOAXFPZ-UHFFFAOYSA-N 0 1 382.464 3.641 20 5 GHBDMN COc1ccc(-c2ccc(CN[C@H]3CCCc4nn(C)cc43)o2)c([N+](=O)[O-])c1 ZINC000509961461 847308241 /nfs/dbraw/zinc/30/82/41/847308241.db2.gz ZTUSMTCYYOTTLM-KRWDZBQOSA-N 0 1 382.420 3.764 20 5 GHBDMN Cc1cc(Cl)c(S(=O)(=O)Nc2ccc3c(c2)C(=O)CCC3)cc1[N+](=O)[O-] ZINC000176679430 847463026 /nfs/dbraw/zinc/46/30/26/847463026.db2.gz KQQYGUKVMLQDCL-UHFFFAOYSA-N 0 1 394.836 3.876 20 5 GHBDMN COc1ccc(NC(=O)CN[C@]2(c3ccc(Cl)cc3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000503367837 847631343 /nfs/dbraw/zinc/63/13/43/847631343.db2.gz BIQNNBVOMBOVRS-CWTRNNRKSA-N 0 1 389.839 3.720 20 5 GHBDMN COc1ccc(NC(=O)CN[C@@]2(c3ccc(Cl)cc3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000503367835 847631657 /nfs/dbraw/zinc/63/16/57/847631657.db2.gz BIQNNBVOMBOVRS-BUXKBTBVSA-N 0 1 389.839 3.720 20 5 GHBDMN CC(=O)Nc1cccc(NC(=O)[C@@H](C)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000178680649 848476972 /nfs/dbraw/zinc/47/69/72/848476972.db2.gz XLEMRKMWJDZPPN-ZIAGYGMSSA-N 0 1 384.436 3.539 20 5 GHBDMN Nc1c(Cl)cc(C(=O)Nc2nc3cc(Cl)c(F)cc3[nH]2)cc1[N+](=O)[O-] ZINC001167622971 848478235 /nfs/dbraw/zinc/47/82/35/848478235.db2.gz OLRWUOOXOSIMID-UHFFFAOYSA-N 0 1 384.154 3.752 20 5 GHBDMN Cc1ccc(C[N@@H+]2CC[C@H](CN(C)Cc3cc([O-])ccc3[N+](=O)[O-])C2)s1 ZINC000582849271 848554142 /nfs/dbraw/zinc/55/41/42/848554142.db2.gz TYJPEYSXINYPBL-OAHLLOKOSA-N 0 1 375.494 3.624 20 5 GHBDMN COC(=O)C=Cc1ccc(NCc2nc3ccc(Cl)cc3[nH]2)c([N+](=O)[O-])c1 ZINC000731903256 861950319 /nfs/dbraw/zinc/95/03/19/861950319.db2.gz GEIVYHLKXWOGAX-CLTKARDFSA-N 0 1 386.795 3.923 20 5 GHBDMN Cc1c(CC(=O)Nc2ccccc2-c2nnc(C(C)C)[nH]2)cccc1[N+](=O)[O-] ZINC000162523625 849144668 /nfs/dbraw/zinc/14/46/68/849144668.db2.gz YIZQMFZYHGHNBC-UHFFFAOYSA-N 0 1 379.420 3.993 20 5 GHBDMN C[C@H](NC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000178795585 849198850 /nfs/dbraw/zinc/19/88/50/849198850.db2.gz JLVTWVZZJYGQCF-HOTGVXAUSA-N 0 1 397.479 3.576 20 5 GHBDMN Cc1cc(N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000583265734 849488580 /nfs/dbraw/zinc/48/85/80/849488580.db2.gz RBYMCCKIQLUNIE-UHFFFAOYSA-N 0 1 383.448 3.702 20 5 GHBDMN COC(=O)C1(c2ccccc2)CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000506645635 850249505 /nfs/dbraw/zinc/24/95/05/850249505.db2.gz JWLBPGXDEKSKKH-CLFYSBASSA-N 0 1 380.444 3.815 20 5 GHBDMN CCOc1ccc([C@H](C)N[C@H](CC(=O)N(C)C)c2ccccc2)cc1[N+](=O)[O-] ZINC000504912435 850443337 /nfs/dbraw/zinc/44/33/37/850443337.db2.gz WFBVWDSVBDUGAG-MAUKXSAKSA-N 0 1 385.464 3.864 20 5 GHBDMN CN1CC[C@H](NCc2c(F)cc([N+](=O)[O-])cc2F)[C@H]1c1ccc(F)c(F)c1 ZINC000519036320 850534376 /nfs/dbraw/zinc/53/43/76/850534376.db2.gz UDHCQAHTSMOMIA-ZWKOTPCHSA-N 0 1 383.345 3.686 20 5 GHBDMN COc1cc(CNCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc2c1OCCO2 ZINC000487191750 850549580 /nfs/dbraw/zinc/54/95/80/850549580.db2.gz LTKPOYQDKRGEPL-UHFFFAOYSA-N 0 1 398.337 3.683 20 5 GHBDMN CCN(CCc1cccs1)[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000488322712 851407635 /nfs/dbraw/zinc/40/76/35/851407635.db2.gz KNQPGSHXMNKIHM-ZDUSSCGKSA-N 0 1 377.466 3.557 20 5 GHBDMN O=C(N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000505477477 851509650 /nfs/dbraw/zinc/50/96/50/851509650.db2.gz UORLLGLGSMDTSH-ABAIWWIYSA-N 0 1 390.321 3.776 20 5 GHBDMN Cc1cc(NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000515850658 851569274 /nfs/dbraw/zinc/56/92/74/851569274.db2.gz FSXIXKBBHSPUAV-LJQANCHMSA-N 0 1 383.448 3.924 20 5 GHBDMN Cc1cccc(NC[C@H]2CCN(c3cc(C(F)(F)F)ncc3[N+](=O)[O-])C2)n1 ZINC000436403744 851576952 /nfs/dbraw/zinc/57/69/52/851576952.db2.gz BPCORWKXOBLSGC-GFCCVEGCSA-N 0 1 381.358 3.650 20 5 GHBDMN O=C(Nc1nc2ccccc2[nH]1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000028647207 851859500 /nfs/dbraw/zinc/85/95/00/851859500.db2.gz ISANUYBHIIIQFS-UHFFFAOYSA-N 0 1 387.399 3.757 20 5 GHBDMN O=C(c1c(O)cc(Cl)cc1Cl)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000436554417 852043100 /nfs/dbraw/zinc/04/31/00/852043100.db2.gz HJUVSETVPOCUNK-UHFFFAOYSA-N 0 1 396.230 3.570 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000490005096 852700853 /nfs/dbraw/zinc/70/08/53/852700853.db2.gz OPFUZKCQAFEIQJ-WMLDXEAASA-N 0 1 386.427 3.999 20 5 GHBDMN COc1cc(CN2CCC[C@@H](c3ccncc3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000516602634 852766256 /nfs/dbraw/zinc/76/62/56/852766256.db2.gz RHVSVZQIELJKSK-CQSZACIVSA-N 0 1 393.390 3.979 20 5 GHBDMN C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000507301659 852778843 /nfs/dbraw/zinc/77/88/43/852778843.db2.gz KRWHSUBJMYUOBP-SECBINFHSA-N 0 1 397.200 3.563 20 5 GHBDMN Cc1cnn([C@@H]2CCCc3ccccc32)c1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000505976797 852782175 /nfs/dbraw/zinc/78/21/75/852782175.db2.gz QTMONQOBPOOWIL-LJQANCHMSA-N 0 1 392.415 3.983 20 5 GHBDMN Cc1ccc([C@@H](CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)N2CCCC2)o1 ZINC000506386722 852949541 /nfs/dbraw/zinc/94/95/41/852949541.db2.gz CGZBOTSZEKXROI-QGZVFWFLSA-N 0 1 382.420 3.544 20 5 GHBDMN Cc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)N2CCCC2)o1 ZINC000506401391 852957628 /nfs/dbraw/zinc/95/76/28/852957628.db2.gz IHNXVVIBJZATIJ-MRXNPFEDSA-N 0 1 377.828 3.717 20 5 GHBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)[C@@H]1C[C@@H]1c1ccccc1Cl ZINC000490366901 852966113 /nfs/dbraw/zinc/96/61/13/852966113.db2.gz MXBXHXJQFCJLTF-ZIAGYGMSSA-N 0 1 383.795 3.776 20 5 GHBDMN COc1ccccc1[C@@H](CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)N1CCCC1 ZINC000913258158 853190737 /nfs/dbraw/zinc/19/07/37/853190737.db2.gz SSEKRQVVIFSWDK-KTZABMDBSA-N 0 1 395.459 3.570 20 5 GHBDMN CN(C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)[C@H]1CCN(C2CC2)C1 ZINC000518428624 853335958 /nfs/dbraw/zinc/33/59/58/853335958.db2.gz VMSVXJYQTUDAMQ-KRWDZBQOSA-N 0 1 381.432 3.696 20 5 GHBDMN CCCOc1ccc(CCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1 ZINC000439185889 853386277 /nfs/dbraw/zinc/38/62/77/853386277.db2.gz KBGGYTFBOWPODK-UHFFFAOYSA-N 0 1 395.419 3.740 20 5 GHBDMN CC[N@@H+](CCC1CCN(c2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])CC1)CC(C)C ZINC000517152612 853447137 /nfs/dbraw/zinc/44/71/37/853447137.db2.gz QRGGUEAYRHTCQC-UHFFFAOYSA-N 0 1 392.500 3.581 20 5 GHBDMN CCCN(Cc1cc([N+](=O)[O-])ccc1OC)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000729482701 853745553 /nfs/dbraw/zinc/74/55/53/853745553.db2.gz CTJYCQAOPLIMPI-KRWDZBQOSA-N 0 1 393.484 3.825 20 5 GHBDMN CC[C@H](NCc1cccc(NC(=O)Cn2cccn2)c1)c1cccc([N+](=O)[O-])c1 ZINC000129615141 854045844 /nfs/dbraw/zinc/04/58/44/854045844.db2.gz UKYRBMHVFAHKKS-FQEVSTJZSA-N 0 1 393.447 3.671 20 5 GHBDMN CCCOc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)c(C)c1 ZINC000055687787 854054136 /nfs/dbraw/zinc/05/41/36/854054136.db2.gz UJLSFSZMUMKJAY-UHFFFAOYSA-N 0 1 380.422 3.501 20 5 GHBDMN Cc1c(CC(=O)Nc2cccc(CN3CCSCC3)c2)cccc1[N+](=O)[O-] ZINC000163919160 862605612 /nfs/dbraw/zinc/60/56/12/862605612.db2.gz HNMAUEQIUQAVGQ-UHFFFAOYSA-N 0 1 385.489 3.633 20 5 GHBDMN O=[N+]([O-])c1ccc(NC2CCN(Cc3cccnc3)CC2)c(Br)c1 ZINC000553228613 854896941 /nfs/dbraw/zinc/89/69/41/854896941.db2.gz VCFUNNSERWOBAS-UHFFFAOYSA-N 0 1 391.269 3.829 20 5 GHBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@H](C)[C@H](OC)c2ccccc2Cl)c1 ZINC000589509604 854909918 /nfs/dbraw/zinc/90/99/18/854909918.db2.gz QOHVEBULNUEQPG-XIKOKIGWSA-N 0 1 392.839 3.901 20 5 GHBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H](C)[C@@H](OC)c2ccccc2Cl)c1 ZINC000589509599 854910007 /nfs/dbraw/zinc/91/00/07/854910007.db2.gz QOHVEBULNUEQPG-KPZWWZAWSA-N 0 1 392.839 3.901 20 5 GHBDMN Cc1ccc2nc(NC(=O)c3cc(Br)cc([N+](=O)[O-])c3)[nH]c2c1 ZINC000553507866 855089820 /nfs/dbraw/zinc/08/98/20/855089820.db2.gz GHDDQLWSXFUOCT-UHFFFAOYSA-N 0 1 375.182 3.794 20 5 GHBDMN O=c1ccc([N+](=O)[O-])cn1CCN(Cc1ccccc1)Cc1ccc(F)cc1 ZINC000536377629 855206083 /nfs/dbraw/zinc/20/60/83/855206083.db2.gz IKGRGNLKYVVOAT-UHFFFAOYSA-N 0 1 381.407 3.598 20 5 GHBDMN COc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)N2CCCCC2)cc1 ZINC000018020395 855708494 /nfs/dbraw/zinc/70/84/94/855708494.db2.gz KIWWCUMGVULTQI-OAQYLSRUSA-N 0 1 397.475 3.869 20 5 GHBDMN NC(=O)c1ccc(CN2CCC[C@@H]2Cc2c(F)cccc2Cl)c([N+](=O)[O-])c1 ZINC000053086110 855902259 /nfs/dbraw/zinc/90/22/59/855902259.db2.gz XQIMCGNABLMCDO-CQSZACIVSA-N 0 1 391.830 3.693 20 5 GHBDMN NC(=O)c1ccc(CN(CCc2ccccc2)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000026649055 856079798 /nfs/dbraw/zinc/07/97/98/856079798.db2.gz FXBOAAPYQFDKAY-UHFFFAOYSA-N 0 1 389.455 3.939 20 5 GHBDMN CC(=O)c1ccc(O)c(NC(=O)c2cccc([N+](=O)[O-])c2Br)c1 ZINC000760872134 856222289 /nfs/dbraw/zinc/22/22/89/856222289.db2.gz FHAQDWCNRSYNDB-UHFFFAOYSA-N 0 1 379.166 3.518 20 5 GHBDMN O=C(CCN[C@@H]1CCc2cc(F)c(F)c(F)c21)Nc1ccccc1[N+](=O)[O-] ZINC000591769969 856291463 /nfs/dbraw/zinc/29/14/63/856291463.db2.gz ZLBWACPOGSEWDW-CYBMUJFWSA-N 0 1 379.338 3.618 20 5 GHBDMN Cc1c(C(=O)N2CCC(c3ncc(C(F)(F)F)[nH]3)CC2)cccc1[N+](=O)[O-] ZINC000133947258 862781010 /nfs/dbraw/zinc/78/10/10/862781010.db2.gz MVWGSLJLSYJLMS-UHFFFAOYSA-N 0 1 382.342 3.665 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)cnc1N1CCC(c2ncc(C(F)(F)F)[nH]2)CC1 ZINC000153834457 856322058 /nfs/dbraw/zinc/32/20/58/856322058.db2.gz ODSQYFJHJPMNRG-UHFFFAOYSA-N 0 1 375.738 3.769 20 5 GHBDMN Cc1ccc(Sc2ccc(CN[C@@H](C)CS(C)(=O)=O)cc2[N+](=O)[O-])cc1 ZINC000172122305 856345982 /nfs/dbraw/zinc/34/59/82/856345982.db2.gz UPXNOANTCVCQBI-AWEZNQCLSA-N 0 1 394.518 3.577 20 5 GHBDMN Cc1c(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)cccc1[N+](=O)[O-] ZINC000058248445 856408035 /nfs/dbraw/zinc/40/80/35/856408035.db2.gz NOHALOYRWRTVIT-UHFFFAOYSA-N 0 1 387.867 3.951 20 5 GHBDMN CC[C@@H](C)NC(=O)[C@H](C)NCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000507929377 856706037 /nfs/dbraw/zinc/70/60/37/856706037.db2.gz HTJVJXNDSXNQGS-CVEARBPZSA-N 0 1 384.480 3.756 20 5 GHBDMN CCCc1[nH]nc(C(=O)N2CCC(c3c(F)cccc3F)CC2)c1[N+](=O)[O-] ZINC000485593259 856819928 /nfs/dbraw/zinc/81/99/28/856819928.db2.gz MJFHYJJAYLLMJK-UHFFFAOYSA-N 0 1 378.379 3.568 20 5 GHBDMN C[C@@H](C(=O)N(C)C1CCCCC1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000441821644 856911243 /nfs/dbraw/zinc/91/12/43/856911243.db2.gz JRTZQBHJGAMCQB-INIZCTEOSA-N 0 1 389.496 3.618 20 5 GHBDMN O=[N+]([O-])c1cc(Br)cnc1NC[C@@H](c1ccco1)N1CCCC1 ZINC000301681138 857133534 /nfs/dbraw/zinc/13/35/34/857133534.db2.gz JQSSRGUDKHSVJM-ZDUSSCGKSA-N 0 1 381.230 3.594 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)c(-n2ccc(-c3nc([C@@H]4CCCN4)no3)n2)c(Cl)c1 ZINC000592356671 857193689 /nfs/dbraw/zinc/19/36/89/857193689.db2.gz DITFFHLVPWSHQK-NSHDSACASA-N 0 1 395.206 3.562 20 5 GHBDMN O=[N+]([O-])c1cc(Br)cnc1NC[C@H](c1ccco1)N1CCCCC1 ZINC000301697682 857220300 /nfs/dbraw/zinc/22/03/00/857220300.db2.gz QRYVGUAMMSYUDB-CQSZACIVSA-N 0 1 395.257 3.984 20 5 GHBDMN Cc1ccc2nc(CNC(=O)NCCCCc3ccc([N+](=O)[O-])cc3)[nH]c2c1 ZINC000465978937 857402883 /nfs/dbraw/zinc/40/28/83/857402883.db2.gz IGOVOCWOWJTOKT-UHFFFAOYSA-N 0 1 381.436 3.602 20 5 GHBDMN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1ccc(C(=O)C2CCC2)cc1 ZINC000486094105 857420869 /nfs/dbraw/zinc/42/08/69/857420869.db2.gz LYYSJGUQXCZSAU-UHFFFAOYSA-N 0 1 388.445 3.995 20 5 GHBDMN COc1cccc2c1OC[C@@H](NCc1csc(-c3cccc([N+](=O)[O-])c3)n1)C2 ZINC000113335040 857434500 /nfs/dbraw/zinc/43/45/00/857434500.db2.gz BHQBZWNPIIWQOA-HNNXBMFYSA-N 0 1 397.456 3.820 20 5 GHBDMN COc1ccc(C[C@@H]2CCCCN2C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])cc1 ZINC000593829152 857741053 /nfs/dbraw/zinc/74/10/53/857741053.db2.gz RUUMZLJKZLTRTH-HNNXBMFYSA-N 0 1 386.452 3.687 20 5 GHBDMN COC(=O)COc1ccc(CN[C@H](c2ccccc2F)C(C)C)cc1[N+](=O)[O-] ZINC000594969116 858333622 /nfs/dbraw/zinc/33/36/22/858333622.db2.gz MNCMVUJTHUDULH-FQEVSTJZSA-N 0 1 390.411 3.773 20 5 GHBDMN COc1cc(CNC[C@@H]2CCC[C@@H](C)O2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000594985310 858357549 /nfs/dbraw/zinc/35/75/49/858357549.db2.gz LDMKNHBHRIFHDG-YPMHNXCESA-N 0 1 392.374 3.592 20 5 GHBDMN O=C1N(CCN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C[C@H]2CCCCN12 ZINC000595105847 858406420 /nfs/dbraw/zinc/40/64/20/858406420.db2.gz TTYCJLGBXMZARZ-NHCUHLMSSA-N 0 1 394.475 3.564 20 5 GHBDMN O=C([O-])c1cc(NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)ccc1[N+](=O)[O-] ZINC000592970990 858457045 /nfs/dbraw/zinc/45/70/45/858457045.db2.gz RPCMINUXGFMQSC-CYBMUJFWSA-N 0 1 375.450 3.679 20 5 GHBDMN CCOC(=O)[C@@H]1CC[C@H](C)N(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H]1C ZINC000595554953 858566061 /nfs/dbraw/zinc/56/60/61/858566061.db2.gz TXIOBHSTWKPCPJ-PMUMKWKESA-N 0 1 387.436 3.802 20 5 GHBDMN C[C@H]1CCCC[N@H+]1Cc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000575111638 858591647 /nfs/dbraw/zinc/59/16/47/858591647.db2.gz XLKVQPKTJZNMME-ZDUSSCGKSA-N 0 1 395.506 3.832 20 5 GHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H](C2CCCC2)C(F)(F)F)c(Cl)c1 ZINC000544667803 858706303 /nfs/dbraw/zinc/70/63/03/858706303.db2.gz DOUXBMDTKQJPEF-GFCCVEGCSA-N 0 1 386.779 3.648 20 5 GHBDMN CC(C)OCCS(=O)(=O)Nc1cc([N+](=O)[O-])ccc1Nc1ccccc1 ZINC000482688939 858763512 /nfs/dbraw/zinc/76/35/12/858763512.db2.gz DFFYFSMJMLLMRI-UHFFFAOYSA-N 0 1 379.438 3.505 20 5 GHBDMN O=[N+]([O-])c1ccc2[nH]c(CN(CCCO)[C@H]3CCCc4ccccc43)nc2c1 ZINC000482697269 858773186 /nfs/dbraw/zinc/77/31/86/858773186.db2.gz VVOWQMMJKMRKKM-FQEVSTJZSA-N 0 1 380.448 3.733 20 5 GHBDMN C[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccc(OC(F)(F)F)cc1 ZINC000482765261 858827114 /nfs/dbraw/zinc/82/71/14/858827114.db2.gz GWXVUCIXTJDOIH-VIFPVBQESA-N 0 1 394.309 3.861 20 5 GHBDMN Cc1c(NC(=O)CCN(Cc2ccco2)C[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000060090390 858847651 /nfs/dbraw/zinc/84/76/51/858847651.db2.gz DBIIDTQWSNIWBF-QGZVFWFLSA-N 0 1 387.436 3.506 20 5 GHBDMN CC(C)(NC[C@H](O)COc1cccc(C(F)(F)F)c1)c1ccccc1[N+](=O)[O-] ZINC000429266252 858862855 /nfs/dbraw/zinc/86/28/55/858862855.db2.gz INJGPPIAYYTRIQ-AWEZNQCLSA-N 0 1 398.381 3.878 20 5 GHBDMN COc1cccc(C=C2CCN(C[C@H](O)COc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000543206646 858884074 /nfs/dbraw/zinc/88/40/74/858884074.db2.gz YDOSGTGCCQTVKA-IBGZPJMESA-N 0 1 398.459 3.523 20 5 GHBDMN COc1cc(N2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)c(F)cc1[N+](=O)[O-] ZINC000301911719 858922956 /nfs/dbraw/zinc/92/29/56/858922956.db2.gz CNPYKAXYPLRKKF-CQSZACIVSA-N 0 1 383.383 3.869 20 5 GHBDMN COc1cc(N2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)c(F)cc1[N+](=O)[O-] ZINC000301911719 858922960 /nfs/dbraw/zinc/92/29/60/858922960.db2.gz CNPYKAXYPLRKKF-CQSZACIVSA-N 0 1 383.383 3.869 20 5 GHBDMN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1cccc(CN2CCSCC2)c1 ZINC000138664288 858960153 /nfs/dbraw/zinc/96/01/53/858960153.db2.gz KHGVTJXDQSPLHX-RMKNXTFCSA-N 0 1 383.473 3.796 20 5 GHBDMN COc1ccc(-c2ccc(C[N@@H+](CC(=O)[O-])CC(C)(C)C)o2)c([N+](=O)[O-])c1 ZINC000596657943 858977640 /nfs/dbraw/zinc/97/76/40/858977640.db2.gz XUIFVPBAEROOEL-UHFFFAOYSA-N 0 1 376.409 3.796 20 5 GHBDMN COc1ccc(C[C@H](C)N2CCC(Oc3ncccc3C)CC2)c([N+](=O)[O-])c1 ZINC001170356259 881403925 /nfs/dbraw/zinc/40/39/25/881403925.db2.gz ZWGLNUPMDWDMDU-INIZCTEOSA-N 0 1 385.464 3.781 20 5 GHBDMN Cc1ccc(COc2ccc(C[C@@H](C)NC(=O)c3n[nH]cc3[N+](=O)[O-])cc2)cc1 ZINC000131287506 859597986 /nfs/dbraw/zinc/59/79/86/859597986.db2.gz BAAPSZKULTUQTC-OAHLLOKOSA-N 0 1 394.431 3.566 20 5 GHBDMN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000025330393 859649371 /nfs/dbraw/zinc/64/93/71/859649371.db2.gz BXGDVVRLGZKZNC-WBMJQRKESA-N 0 1 379.507 3.556 20 5 GHBDMN CCN(C[C@H]1CCOC1)[C@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000611205198 859650009 /nfs/dbraw/zinc/65/00/09/859650009.db2.gz NBKJVDMSYSJURN-UTKZUKDTSA-N 0 1 397.475 3.941 20 5 GHBDMN CCc1ccc([C@H](N[C@@H]2CCO[C@@]3(CCOC3)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543422443 859655613 /nfs/dbraw/zinc/65/56/13/859655613.db2.gz BSIJXAGHIVLFNF-HBGVWJBISA-N 0 1 386.448 3.767 20 5 GHBDMN CCc1ccc([C@H](N[C@@H]2CCO[C@]3(CCOC3)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543422446 859656110 /nfs/dbraw/zinc/65/61/10/859656110.db2.gz BSIJXAGHIVLFNF-MAODMQOUSA-N 0 1 386.448 3.767 20 5 GHBDMN O=[N+]([O-])c1cc2c(cc1CN1CCC[C@@H](c3nc4ccccc4o3)C1)OCCO2 ZINC000611253902 859664658 /nfs/dbraw/zinc/66/46/58/859664658.db2.gz MSJQSGUBOTVNRZ-CQSZACIVSA-N 0 1 395.415 3.887 20 5 GHBDMN C[C@H](OC(=O)c1ccc([N+](=O)[O-])[nH]1)c1nc2cc(C(F)(F)F)ccc2n1C ZINC000764929410 859685621 /nfs/dbraw/zinc/68/56/21/859685621.db2.gz WAHNHZWGUVJMBJ-QMMMGPOBSA-N 0 1 382.298 3.746 20 5 GHBDMN Cc1nn(CN(CCc2ccccc2)[C@@H]2CCOC2)c2ccc([N+](=O)[O-])cc12 ZINC000765071447 859765275 /nfs/dbraw/zinc/76/52/75/859765275.db2.gz YADKZOSZWQYWNJ-LJQANCHMSA-N 0 1 380.448 3.544 20 5 GHBDMN COc1ccccc1N1CCC(NCc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000602527137 860098161 /nfs/dbraw/zinc/09/81/61/860098161.db2.gz ZRXKTSKETLOXEH-UHFFFAOYSA-N 0 1 382.420 3.503 20 5 GHBDMN CCc1[nH]nc(C(=O)N2C[C@H](c3cccc(Cl)c3)OCC2(C)C)c1[N+](=O)[O-] ZINC000598232412 860157261 /nfs/dbraw/zinc/15/72/61/860157261.db2.gz XNIQQLAHRAJGNR-CQSZACIVSA-N 0 1 392.843 3.526 20 5 GHBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@@H](c2cccnc2)C1 ZINC000602852687 860315067 /nfs/dbraw/zinc/31/50/67/860315067.db2.gz GBNXWWMCTGBHBE-WMLDXEAASA-N 0 1 379.420 3.980 20 5 GHBDMN C[C@@H]1[C@H](C)N(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)CCN1C ZINC000542664525 860459775 /nfs/dbraw/zinc/45/97/75/860459775.db2.gz ZPRHNAWLKBWGMJ-CABCVRRESA-N 0 1 384.436 3.943 20 5 GHBDMN COc1cc(CNCc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccncc1 ZINC000061024851 860551326 /nfs/dbraw/zinc/55/13/26/860551326.db2.gz QSSHUKHAKCATMH-UHFFFAOYSA-N 0 1 379.416 3.867 20 5 GHBDMN Cc1c(CC(=O)N2CCC(c3ncc(C(F)(F)F)[nH]3)CC2)cccc1[N+](=O)[O-] ZINC000125293676 860633202 /nfs/dbraw/zinc/63/32/02/860633202.db2.gz KIMNZHBTCOLDPA-UHFFFAOYSA-N 0 1 396.369 3.594 20 5 GHBDMN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@H]2c2ccc(Cl)cc2)c1 ZINC000603497581 860768403 /nfs/dbraw/zinc/76/84/03/860768403.db2.gz FAPFTGFLDAZSCG-HKUYNNGSSA-N 0 1 376.840 3.825 20 5 GHBDMN CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C12CCCCC2 ZINC000593738198 861117398 /nfs/dbraw/zinc/11/73/98/861117398.db2.gz ORNKFZVNTZFIJN-QZTJIDSGSA-N 0 1 376.453 3.853 20 5 GHBDMN CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000043137000 864159524 /nfs/dbraw/zinc/15/95/24/864159524.db2.gz PRZAIYCIHHZLTA-SFHVURJKSA-N 0 1 386.452 3.556 20 5 GHBDMN COC(=O)[C@H]1CCCC[C@@]1(C)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000499256588 881746327 /nfs/dbraw/zinc/74/63/27/881746327.db2.gz QQYLJUDPGKIRBY-VQIMIIECSA-N 0 1 389.477 3.930 20 5 GHBDMN C[C@@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1nc(-c2ccccc2)cs1 ZINC000184515044 864625735 /nfs/dbraw/zinc/62/57/35/864625735.db2.gz ZDBZBEOLHIINOD-RHSMWYFYSA-N 0 1 399.472 3.809 20 5 GHBDMN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)O[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000735209870 864668796 /nfs/dbraw/zinc/66/87/96/864668796.db2.gz AKPJCELJBKQISE-MAUKXSAKSA-N 0 1 386.473 3.893 20 5 GHBDMN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)O[C@@H]1CCN(Cc2ccccc2)C1 ZINC000735209870 864668806 /nfs/dbraw/zinc/66/88/06/864668806.db2.gz AKPJCELJBKQISE-MAUKXSAKSA-N 0 1 386.473 3.893 20 5 GHBDMN Cc1ccc([C@@H](CN2CCOCC2)N[C@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000480468410 864685446 /nfs/dbraw/zinc/68/54/46/864685446.db2.gz JIWWGMPOXAMLGY-WIYYLYMNSA-N 0 1 383.492 3.936 20 5 GHBDMN CCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2 ZINC000555127621 865572432 /nfs/dbraw/zinc/57/24/32/865572432.db2.gz UFYIYGOLZCIZLX-UHFFFAOYSA-N 0 1 397.412 3.677 20 5 GHBDMN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(OC3CCCC3)nc2)c1C ZINC000608875352 865778952 /nfs/dbraw/zinc/77/89/52/865778952.db2.gz NINIPPDVIVUKNW-UHFFFAOYSA-N 0 1 391.449 3.729 20 5 GHBDMN CC(C)(C)c1nc2ccc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2[nH]1 ZINC000032466027 865844600 /nfs/dbraw/zinc/84/46/00/865844600.db2.gz OCOUBTGOPUMFJO-UHFFFAOYSA-N 0 1 383.364 3.929 20 5 GHBDMN CN1CC[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000534018927 865985250 /nfs/dbraw/zinc/98/52/50/865985250.db2.gz MISHWORJUGJKEJ-NVXWUHKLSA-N 0 1 393.365 3.789 20 5 GHBDMN O=C(Cc1ccc(F)cc1[N+](=O)[O-])Nc1nc2ccc(Br)cc2[nH]1 ZINC001126609461 866385712 /nfs/dbraw/zinc/38/57/12/866385712.db2.gz XCZJVSADPQLKRI-UHFFFAOYSA-N 0 1 393.172 3.554 20 5 GHBDMN C[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccc(Br)s1 ZINC000444536289 866875385 /nfs/dbraw/zinc/87/53/85/866875385.db2.gz YWDBEZFOZCHWBU-ZETCQYMHSA-N 0 1 395.238 3.786 20 5 GHBDMN C[C@H](N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cc2cccc(F)c2o1 ZINC000475699696 882027215 /nfs/dbraw/zinc/02/72/15/882027215.db2.gz XPWJDAOJMXVBSZ-SJCJKPOMSA-N 0 1 383.379 3.936 20 5 GHBDMN Cc1ccccc1[C@@H](CC(F)(F)F)NC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000444779562 867185319 /nfs/dbraw/zinc/18/53/19/867185319.db2.gz CFHVPTOPPQRMOE-MAUKXSAKSA-N 0 1 398.381 3.926 20 5 GHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC(Cc2cccc(F)c2F)CC1 ZINC000456807815 867203836 /nfs/dbraw/zinc/20/38/36/867203836.db2.gz HSVDVJNXCMNCKL-UHFFFAOYSA-N 0 1 376.359 3.674 20 5 GHBDMN CCc1nc([C@H](C)NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000442640904 867298258 /nfs/dbraw/zinc/29/82/58/867298258.db2.gz YBXSYTZHGANJGI-LBPRGKRZSA-N 0 1 397.460 3.918 20 5 GHBDMN COc1cc(C(=O)Nc2nc3ccc(C)cc3[nH]2)c([N+](=O)[O-])cc1OC(F)F ZINC000553474895 867479621 /nfs/dbraw/zinc/47/96/21/867479621.db2.gz XQJJUCPKAAIJGF-UHFFFAOYSA-N 0 1 392.318 3.642 20 5 GHBDMN CN1CC[C@H](NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[C@H]1c1ccccc1 ZINC000535467463 868808293 /nfs/dbraw/zinc/80/82/93/868808293.db2.gz DPCAHUNOUWHPBE-DLBZAZTESA-N 0 1 393.365 3.789 20 5 GHBDMN O=C(CSc1n[nH]c(CCC2CCCC2)n1)Nc1ccccc1[N+](=O)[O-] ZINC000021809524 868870330 /nfs/dbraw/zinc/87/03/30/868870330.db2.gz SEXLNWRXYLNRPM-UHFFFAOYSA-N 0 1 375.454 3.567 20 5 GHBDMN O=C(CSc1nc(CCC2CCCC2)n[nH]1)Nc1ccccc1[N+](=O)[O-] ZINC000021809524 868870341 /nfs/dbraw/zinc/87/03/41/868870341.db2.gz SEXLNWRXYLNRPM-UHFFFAOYSA-N 0 1 375.454 3.567 20 5 GHBDMN COCc1nc(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)c(-c2ccccc2)s1 ZINC000442972308 869154577 /nfs/dbraw/zinc/15/45/77/869154577.db2.gz KGHUWQZDDJXBSW-UHFFFAOYSA-N 0 1 399.428 3.500 20 5 GHBDMN Cc1ccc(CN2CC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)cc1[N+](=O)[O-] ZINC000793603422 882309425 /nfs/dbraw/zinc/30/94/25/882309425.db2.gz AMNKJFMOTDAXLL-FQEVSTJZSA-N 0 1 375.469 3.736 20 5 GHBDMN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000462755070 870003914 /nfs/dbraw/zinc/00/39/14/870003914.db2.gz TZMACCIIZXIWHA-YJBOKZPZSA-N 0 1 375.494 3.644 20 5 GHBDMN C[C@@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccc(Br)s1 ZINC000443319684 871066318 /nfs/dbraw/zinc/06/63/18/871066318.db2.gz KUKQDSFGWDUNMV-SNVBAGLBSA-N 0 1 398.282 3.732 20 5 GHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3F)nc2)cc1 ZINC000447265527 871283753 /nfs/dbraw/zinc/28/37/53/871283753.db2.gz HNMCOWLKGBUGSG-UHFFFAOYSA-N 0 1 389.364 3.722 20 5 GHBDMN CCc1nc(C2CCN(c3cc(C)c([N+](=O)[O-])cc3C(F)(F)F)CC2)n[nH]1 ZINC000461936575 871314839 /nfs/dbraw/zinc/31/48/39/871314839.db2.gz RXBLJZDHYDLPTN-UHFFFAOYSA-N 0 1 383.374 3.987 20 5 GHBDMN CCc1nnc(C2CCN(c3cc(C)c([N+](=O)[O-])cc3C(F)(F)F)CC2)[nH]1 ZINC000461936575 871314861 /nfs/dbraw/zinc/31/48/61/871314861.db2.gz RXBLJZDHYDLPTN-UHFFFAOYSA-N 0 1 383.374 3.987 20 5 GHBDMN COc1ccc2c(c1)CCCN2C(=O)CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181821558 871505021 /nfs/dbraw/zinc/50/50/21/871505021.db2.gz QHNXPUCFMCDANL-HNNXBMFYSA-N 0 1 383.448 3.542 20 5 GHBDMN COc1ccc(CN(C(=O)CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C2CC2)cc1 ZINC000181835298 871536872 /nfs/dbraw/zinc/53/68/72/871536872.db2.gz HSNYGMIGWFOFSI-INIZCTEOSA-N 0 1 397.475 3.754 20 5 GHBDMN CC(C)(NCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000475713121 882549138 /nfs/dbraw/zinc/54/91/38/882549138.db2.gz HKVPJIPJTLLYOE-UHFFFAOYSA-N 0 1 397.353 3.957 20 5 GHBDMN COc1cc(CN[C@](C)(CNC(=O)OC(C)(C)C)C(C)C)c([N+](=O)[O-])cc1F ZINC000766816306 871862265 /nfs/dbraw/zinc/86/22/65/871862265.db2.gz ZXFUFGOWRNYQMV-LJQANCHMSA-N 0 1 399.463 3.772 20 5 GHBDMN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000182165602 871936852 /nfs/dbraw/zinc/93/68/52/871936852.db2.gz DBTBELWRUYPTRC-SIKLNZKXSA-N 0 1 396.418 3.853 20 5 GHBDMN C[C@@H](C(=O)NC[C@@H](c1ccco1)N1CCCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000182283031 872133338 /nfs/dbraw/zinc/13/33/38/872133338.db2.gz OVWGRWMFNDRDII-KDOFPFPSSA-N 0 1 389.427 3.774 20 5 GHBDMN CN(C)[C@@H]1CCOc2c(NC(=O)CSc3ccc([N+](=O)[O-])cc3)cccc21 ZINC000447721815 872208550 /nfs/dbraw/zinc/20/85/50/872208550.db2.gz HFZORGQZJLBYDN-QGZVFWFLSA-N 0 1 387.461 3.711 20 5 GHBDMN O=C(CN1CC[C@@H]2CCCC[C@@H]21)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC001195507761 872456048 /nfs/dbraw/zinc/45/60/48/872456048.db2.gz AWAWQYWMMBJQJS-GUYCJALGSA-N 0 1 386.477 3.921 20 5 GHBDMN C[C@@H]1OCC[C@@]1(O)CN(Cc1ccccc1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000447909202 872512205 /nfs/dbraw/zinc/51/22/05/872512205.db2.gz WAGXTERWHJWHLK-MGPUTAFESA-N 0 1 390.867 3.790 20 5 GHBDMN COC(=O)COc1ccc(CN(C)Cc2cc3ccccc3o2)cc1[N+](=O)[O-] ZINC000475714849 882666861 /nfs/dbraw/zinc/66/68/61/882666861.db2.gz JUTMNJDUBBXPKH-UHFFFAOYSA-N 0 1 384.388 3.525 20 5 GHBDMN COc1cccc([C@@H]2[C@@H](NCc3c(F)cccc3[N+](=O)[O-])CCN2C2CC2)c1 ZINC000619809940 873037372 /nfs/dbraw/zinc/03/73/72/873037372.db2.gz JOUOQCPQVSOBEW-PZJWPPBQSA-N 0 1 385.439 3.810 20 5 GHBDMN CCCc1c(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cnn1-c1ccccc1 ZINC000768889629 873650166 /nfs/dbraw/zinc/65/01/66/873650166.db2.gz HHKWVVLXMVMWIE-UHFFFAOYSA-N 0 1 392.462 3.595 20 5 GHBDMN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(Cl)c(Br)c2)cs1 ZINC000768889002 873650554 /nfs/dbraw/zinc/65/05/54/873650554.db2.gz MTIYHHYXNJFYIK-UHFFFAOYSA-N 0 1 397.659 3.873 20 5 GHBDMN Cc1ccc(CN2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000768916127 873684629 /nfs/dbraw/zinc/68/46/29/873684629.db2.gz SZWLRUAKVTVWLJ-KRWDZBQOSA-N 0 1 377.485 3.982 20 5 GHBDMN O=C(CN1CC[C@H](CSc2ccccc2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000464764731 874453040 /nfs/dbraw/zinc/45/30/40/874453040.db2.gz XPOYRGVPMKUVHQ-INIZCTEOSA-N 0 1 397.500 3.598 20 5 GHBDMN O=C(CN1CC[C@@H](CSc2ccccc2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000464772741 874504070 /nfs/dbraw/zinc/50/40/70/874504070.db2.gz LZZNWWIOMDQHSK-MRXNPFEDSA-N 0 1 397.500 3.598 20 5 GHBDMN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000542209272 875185962 /nfs/dbraw/zinc/18/59/62/875185962.db2.gz AHDCRVFLGYRECW-DLBZAZTESA-N 0 1 376.840 3.825 20 5 GHBDMN CC(C)(C)O[C@@H]1C[C@H](NCc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1n1cccn1 ZINC000449657519 875195849 /nfs/dbraw/zinc/19/58/49/875195849.db2.gz PLJHUNVBDSOADH-BBWFWOEESA-N 0 1 378.860 3.732 20 5 GHBDMN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN[C@@H](CC(F)(F)F)c1ccccc1 ZINC000542254681 875258002 /nfs/dbraw/zinc/25/80/02/875258002.db2.gz SYRGZDQVKQHMQK-GJZGRUSLSA-N 0 1 384.354 3.618 20 5 GHBDMN CC[C@@H](CNC(=O)c1cc(SC)ccc1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000029911337 875663350 /nfs/dbraw/zinc/66/33/50/875663350.db2.gz CTPZMUAMIIKPAZ-KRWDZBQOSA-N 0 1 399.516 3.883 20 5 GHBDMN Cc1c(CNCc2ccc(I)s2)cccc1[N+](=O)[O-] ZINC001201983123 875943964 /nfs/dbraw/zinc/94/39/64/875943964.db2.gz YWTMQMAULBATDD-UHFFFAOYSA-N 0 1 388.230 3.859 20 5 GHBDMN Cc1ccc(C(=O)C2CCN(C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CC2)c(C)c1 ZINC000776279689 876165820 /nfs/dbraw/zinc/16/58/20/876165820.db2.gz YNKMSOUPKGBZRH-OAQYLSRUSA-N 0 1 382.460 3.840 20 5 GHBDMN CCOc1cc(CN(C)[C@H](C)c2ccc(-n3cncn3)cc2)ccc1[N+](=O)[O-] ZINC000492530974 877014365 /nfs/dbraw/zinc/01/43/65/877014365.db2.gz FGZSFSNDXUNRGO-OAHLLOKOSA-N 0 1 381.436 3.767 20 5 GHBDMN CCOc1cc(Br)ccc1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000477384022 877549395 /nfs/dbraw/zinc/54/93/95/877549395.db2.gz XNYFAPQTHMCMSR-UHFFFAOYSA-N 0 1 381.182 3.714 20 5 GHBDMN Cc1noc(CN2CCC[C@H]2Cc2ccc(Br)cc2)c1[N+](=O)[O-] ZINC000851737157 877886939 /nfs/dbraw/zinc/88/69/39/877886939.db2.gz UPODYDVAFPISTJ-AWEZNQCLSA-N 0 1 380.242 3.861 20 5 GHBDMN CN(C)[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)c1ccc(Cl)cc1 ZINC000530590781 878133529 /nfs/dbraw/zinc/13/35/29/878133529.db2.gz ZBJYDWLQDFKLDB-QGZVFWFLSA-N 0 1 396.274 3.863 20 5 GHBDMN COc1cccc(F)c1[C@@H](C)NCCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000179933908 878221195 /nfs/dbraw/zinc/22/11/95/878221195.db2.gz UYEADBALFZZVKK-CYBMUJFWSA-N 0 1 375.400 3.730 20 5 GHBDMN COc1cc(Br)ccc1CN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788762428 878299875 /nfs/dbraw/zinc/29/98/75/878299875.db2.gz GYGTYEULSNYLTD-SNVBAGLBSA-N 0 1 380.242 3.799 20 5 GHBDMN O=c1oc2ccc([N+](=O)[O-])cc2n1CN1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000795678741 912338272 /nfs/dbraw/zinc/33/82/72/912338272.db2.gz FZVSUSIOOUMDBL-KURKYZTESA-N 0 1 379.416 3.728 20 5 GHBDMN Cc1c([C@@H](C)N[C@@H]2CCN(CCCc3ccccc3)C2=O)cccc1[N+](=O)[O-] ZINC000538020464 878726707 /nfs/dbraw/zinc/72/67/07/878726707.db2.gz FLXOIWXFNORFKI-YLJYHZDGSA-N 0 1 381.476 3.788 20 5 GHBDMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000152491919 878840081 /nfs/dbraw/zinc/84/00/81/878840081.db2.gz LTMWEQRIFBXMRS-UHFFFAOYSA-N 0 1 388.855 3.561 20 5 GHBDMN CN(C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(Cl)cc1 ZINC000531067508 879061263 /nfs/dbraw/zinc/06/12/63/879061263.db2.gz HYLZHSCVAOEINO-MRXNPFEDSA-N 0 1 382.247 3.934 20 5 GHBDMN O=C(Nc1nc(Cl)ccc1O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000790047962 879427601 /nfs/dbraw/zinc/42/76/01/879427601.db2.gz NKZRZHLCUMSRII-UHFFFAOYSA-N 0 1 391.689 3.542 20 5 GHBDMN CN(C)c1cc(F)c(C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)cc1[N+](=O)[O-] ZINC000791220125 880265307 /nfs/dbraw/zinc/26/53/07/880265307.db2.gz HCUOGUKTARUBIE-UHFFFAOYSA-N 0 1 393.325 3.866 20 5 GHBDMN CC1CCN([C@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)c2cccs2)CC1 ZINC000520223630 880358061 /nfs/dbraw/zinc/35/80/61/880358061.db2.gz KCDUTYSYMPSCOO-QGZVFWFLSA-N 0 1 391.468 3.998 20 5 GHBDMN CC[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1OCC(=O)N(C)C ZINC000173333256 881081783 /nfs/dbraw/zinc/08/17/83/881081783.db2.gz SYDOFCCSZLMEFS-HNAYVOBHSA-N 0 1 385.464 3.864 20 5 GHBDMN O=C(NCCCSc1ccc(Br)cc1[N+](=O)[O-])C(F)(F)F ZINC000155125663 881113490 /nfs/dbraw/zinc/11/34/90/881113490.db2.gz BVCHBAGQVARJPQ-UHFFFAOYSA-N 0 1 387.177 3.518 20 5 GHBDMN COc1ccc(C)cc1-c1csc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)n1 ZINC000476528799 881136713 /nfs/dbraw/zinc/13/67/13/881136713.db2.gz CWAQVCPBOQYNMD-UHFFFAOYSA-N 0 1 385.401 3.993 20 5 GHBDMN O=C(C[C@@H]1CCCCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000476913862 883370135 /nfs/dbraw/zinc/37/01/35/883370135.db2.gz KIBVTOKVKVOOOJ-KRWDZBQOSA-N 0 1 382.416 3.958 20 5 GHBDMN COC(=O)COc1ccc(CNCc2ccc(C3CCC3)cc2)cc1[N+](=O)[O-] ZINC000494846979 884064351 /nfs/dbraw/zinc/06/43/51/884064351.db2.gz SJTNNEZKHYYVIU-UHFFFAOYSA-N 0 1 384.432 3.704 20 5 GHBDMN C[C@]12CCCN1C[C@@H](c1noc(-c3cc([N+](=O)[O-])ccc3C(F)(F)F)n1)OC2 ZINC000556341521 884501249 /nfs/dbraw/zinc/50/12/49/884501249.db2.gz UNWZHBXQAXKJRT-XJKSGUPXSA-N 0 1 398.341 3.589 20 5 GHBDMN Cc1cc(Cl)c(S(=O)(=O)Nc2cccc(-n3ccnc3)c2)cc1[N+](=O)[O-] ZINC000176581182 884819574 /nfs/dbraw/zinc/81/95/74/884819574.db2.gz LQANKTMLTSODSB-UHFFFAOYSA-N 0 1 392.824 3.543 20 5 GHBDMN COc1c(F)cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)cc1F ZINC000761892676 884932510 /nfs/dbraw/zinc/93/25/10/884932510.db2.gz ZGNGJKBTJZXRRF-UHFFFAOYSA-N 0 1 392.767 3.644 20 5 GHBDMN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2scnc2c1 ZINC000761895353 884938678 /nfs/dbraw/zinc/93/86/78/884938678.db2.gz VTSCSMHGMGODRO-UHFFFAOYSA-N 0 1 383.838 3.967 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCc2ccc(Cl)cc2C1 ZINC000153226607 885427986 /nfs/dbraw/zinc/42/79/86/885427986.db2.gz HPABIRFFYQMKBP-UHFFFAOYSA-N 0 1 389.839 3.644 20 5 GHBDMN CC(C)n1cc([C@@H](C)N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000542572193 886946871 /nfs/dbraw/zinc/94/68/71/886946871.db2.gz BIJPNMNFKGSKHY-NEPJUHHUSA-N 0 1 379.848 3.703 20 5 GHBDMN CC(C)n1cc([C@H](C)N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000542572195 886947236 /nfs/dbraw/zinc/94/72/36/886947236.db2.gz BIJPNMNFKGSKHY-RYUDHWBXSA-N 0 1 379.848 3.703 20 5 GHBDMN O=[N+]([O-])c1cccc(Br)c1CN1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000809758304 887801634 /nfs/dbraw/zinc/80/16/34/887801634.db2.gz IVEIDLRFKOWBHR-KGLIPLIRSA-N 0 1 383.286 3.996 20 5 GHBDMN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1ccncc1OC[C@H]1CCOC1)CCC2 ZINC000287229029 913200330 /nfs/dbraw/zinc/20/03/30/913200330.db2.gz GNQGCHQMSQNZMJ-YWZLYKJASA-N 0 1 383.448 3.572 20 5 GHBDMN O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1N1CCN(C2CCOCC2)CC1 ZINC000747620233 888711099 /nfs/dbraw/zinc/71/10/99/888711099.db2.gz AWJIKWGOMLXOQQ-UHFFFAOYSA-N 0 1 393.793 3.568 20 5 GHBDMN O=C(Nc1n[nH]c2cnc(Br)cc12)c1c(Cl)cccc1[N+](=O)[O-] ZINC001132518362 888980558 /nfs/dbraw/zinc/98/05/58/888980558.db2.gz SMHFBJLEONUBGD-UHFFFAOYSA-N 0 1 396.588 3.534 20 5 GHBDMN O=C(Nc1nnc([C@H]2CCCO2)s1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001132550462 889078504 /nfs/dbraw/zinc/07/85/04/889078504.db2.gz GXGRPLIAMXXOPF-CYBMUJFWSA-N 0 1 397.416 3.612 20 5 GHBDMN Cc1ccc(C(=O)C2CCN(C(=O)c3n[nH]c(C(C)C)c3[N+](=O)[O-])CC2)c(C)c1 ZINC000532902851 889241090 /nfs/dbraw/zinc/24/10/90/889241090.db2.gz IXTGQSKEKIROMH-UHFFFAOYSA-N 0 1 398.463 3.793 20 5 GHBDMN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NCc1ccc(Nc2ccncc2)cc1 ZINC001168512182 889317399 /nfs/dbraw/zinc/31/73/99/889317399.db2.gz IKIMCISZAOIGKW-UHFFFAOYSA-N 0 1 380.379 3.533 20 5 GHBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000811448968 889606329 /nfs/dbraw/zinc/60/63/29/889606329.db2.gz GLJFGEPSUXKWCG-LJQANCHMSA-N 0 1 382.432 3.638 20 5 GHBDMN C[C@H](CNc1nc2ccc([N+](=O)[O-])cc2s1)N1CCN(c2ccccc2)CC1 ZINC001184856443 913494095 /nfs/dbraw/zinc/49/40/95/913494095.db2.gz JPHSNAQMYPMKLS-OAHLLOKOSA-N 0 1 397.504 3.827 20 5 GHBDMN O=C(Nc1nc2ccc(Cl)cc2[nH]1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC001133406132 890880342 /nfs/dbraw/zinc/88/03/42/890880342.db2.gz HVABGMUNPQZUFZ-UHFFFAOYSA-N 0 1 382.767 3.563 20 5 GHBDMN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H](C)Cn1ncc2ccccc2c1=O ZINC000872053707 891131658 /nfs/dbraw/zinc/13/16/58/891131658.db2.gz ZIHWFSDODRSDIA-UONOGXRCSA-N 0 1 398.488 3.766 20 5 GHBDMN O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2NCc2nc(-c3ccncc3)cs2)n1 ZINC000872121744 891166968 /nfs/dbraw/zinc/16/69/68/891166968.db2.gz OMCAILIZJNEKOL-HOCLYGCPSA-N 0 1 384.465 3.583 20 5 GHBDMN O=C(Nc1cccc([N+](=O)[O-])c1Cl)c1sccc1S(=O)(=O)C(F)F ZINC000813246174 891400254 /nfs/dbraw/zinc/40/02/54/891400254.db2.gz AMXAUPATSQPNLC-UHFFFAOYSA-N 0 1 396.780 3.558 20 5 GHBDMN O=C(c1cc2ccccc2c2cccnc12)N1CCC[C@@H](N2CCOCC2)CC1 ZINC000670393984 892225183 /nfs/dbraw/zinc/22/51/83/892225183.db2.gz PCZXBFMNNPULSX-LJQANCHMSA-N 0 1 389.499 3.715 20 5 GHBDMN CN1CCN(c2ccc([N+](=O)[O-])c(NC(=O)/C(F)=C\C3CCCCC3)c2)CC1 ZINC001134200695 892468037 /nfs/dbraw/zinc/46/80/37/892468037.db2.gz UHUXSGHOOBVCSU-GHRIWEEISA-N 0 1 390.459 3.719 20 5 GHBDMN Cc1cccc2nc(CNC(=O)NCCCCc3ccc([N+](=O)[O-])cc3)[nH]c21 ZINC000497931163 892760121 /nfs/dbraw/zinc/76/01/21/892760121.db2.gz YTUBRULORFZPRZ-UHFFFAOYSA-N 0 1 381.436 3.602 20 5 GHBDMN COc1ccc(CN2CC3(C2)CCOCC3)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000459611329 893859010 /nfs/dbraw/zinc/85/90/10/893859010.db2.gz CSRVGOGLHQRFOF-UHFFFAOYSA-N 0 1 398.459 3.795 20 5 GHBDMN COc1ccc([C@@H](CO)CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000459725446 894114117 /nfs/dbraw/zinc/11/41/17/894114117.db2.gz CPVIUNOUUWYHBX-MRXNPFEDSA-N 0 1 399.472 3.593 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(CN2CC[C@@H](c3cccnc3)C2)o1 ZINC000878759594 894584869 /nfs/dbraw/zinc/58/48/69/894584869.db2.gz DJAFQWWGCXKUQG-CYBMUJFWSA-N 0 1 385.811 3.683 20 5 GHBDMN CC(C)(Cc1ccc(Br)cc1)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000476115087 895233886 /nfs/dbraw/zinc/23/38/86/895233886.db2.gz NCXCOOGMNLSWEX-UHFFFAOYSA-N 0 1 393.237 3.814 20 5 GHBDMN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000567451056 897168272 /nfs/dbraw/zinc/16/82/72/897168272.db2.gz LUDFJIAJHSFRIO-NSHDSACASA-N 0 1 393.875 3.728 20 5 GHBDMN COc1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1F ZINC000042640180 897687359 /nfs/dbraw/zinc/68/73/59/897687359.db2.gz QIKMNERIBXRTBQ-OLZOCXBDSA-N 0 1 375.400 3.729 20 5 GHBDMN CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000568929170 898219647 /nfs/dbraw/zinc/21/96/47/898219647.db2.gz SSICFGPYDMVVHO-OAQYLSRUSA-N 0 1 388.439 3.560 20 5 GHBDMN COc1cccc([C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)N(C)C)c1 ZINC000043342962 898477370 /nfs/dbraw/zinc/47/73/70/898477370.db2.gz RQZAKGNMCGWUOF-QGZVFWFLSA-N 0 1 392.843 3.681 20 5 GHBDMN O=[N+]([O-])c1ccc([O-])cc1C[NH2+][C@@H](c1cncc(Br)c1)C1CC1 ZINC000569714142 898905948 /nfs/dbraw/zinc/90/59/48/898905948.db2.gz WBNSAKQAVMRVIC-MRXNPFEDSA-N 0 1 378.226 3.699 20 5 GHBDMN CC1(CN[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)COC1 ZINC000112708967 898916335 /nfs/dbraw/zinc/91/63/35/898916335.db2.gz IUPZIIGWQYQDHS-KRWDZBQOSA-N 0 1 389.839 3.554 20 5 GHBDMN CC(C)(C)N1CCc2nc(NC(=O)c3cc(F)c(F)cc3[N+](=O)[O-])sc2C1 ZINC000824075810 899381902 /nfs/dbraw/zinc/38/19/02/899381902.db2.gz FLUIVDOTANRHRJ-UHFFFAOYSA-N 0 1 396.419 3.738 20 5 GHBDMN C[C@H]1c2c(F)cccc2CCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC001136938747 899798352 /nfs/dbraw/zinc/79/83/52/899798352.db2.gz FKFPLHKDZVOCSK-LBPRGKRZSA-N 0 1 380.379 3.884 20 5 GHBDMN C[C@H](c1ccccc1)[N@H+]1CC[C@H](Nc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000844207237 900602194 /nfs/dbraw/zinc/60/21/94/900602194.db2.gz DKQWJBNQLGCEGO-BQULGAROSA-N 0 1 381.432 3.940 20 5 GHBDMN COc1cc(Cl)ccc1S(=O)(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000844251133 900617117 /nfs/dbraw/zinc/61/71/17/900617117.db2.gz DFNDERLOVDFGST-UHFFFAOYSA-N 0 1 377.205 3.711 20 5 GHBDMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000042048571 900673918 /nfs/dbraw/zinc/67/39/18/900673918.db2.gz HCBJCDKNBKNDIM-UHFFFAOYSA-N 0 1 388.855 3.561 20 5 GHBDMN Cc1[nH]nc(C(=O)N2CCC(c3ccc(Cl)cc3Cl)CC2)c1[N+](=O)[O-] ZINC000574541009 900921190 /nfs/dbraw/zinc/92/11/90/900921190.db2.gz JGCJZSLTTKWSRI-UHFFFAOYSA-N 0 1 383.235 3.953 20 5 GHBDMN CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)Nc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000576163276 901745483 /nfs/dbraw/zinc/74/54/83/901745483.db2.gz HOFROFBSVSRQKR-LJQANCHMSA-N 0 1 385.464 3.790 20 5 GHBDMN O=c1ccc2c([nH]1)CCC[C@@H]2NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000264943826 903494540 /nfs/dbraw/zinc/49/45/40/903494540.db2.gz HSNIHQBOGQBSBB-INIZCTEOSA-N 0 1 382.445 3.986 20 5 GHBDMN C[C@H](Sc1nc(-c2ccccc2)n[nH]1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000005209981 914739508 /nfs/dbraw/zinc/73/95/08/914739508.db2.gz BPTOGQWBAYLTTC-JTQLQIEISA-N 0 1 387.396 3.638 20 5 GHBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](c2nncn2C2CC2)C1 ZINC000136127030 903761588 /nfs/dbraw/zinc/76/15/88/903761588.db2.gz UUYJFGUPYCZSNX-HNNXBMFYSA-N 0 1 385.468 3.688 20 5 GHBDMN Cc1c(NC(=O)[C@H](C)N2CC[C@@H](Cc3ccc(F)cc3)C2)cccc1[N+](=O)[O-] ZINC000579057513 904319816 /nfs/dbraw/zinc/31/98/16/904319816.db2.gz XLLHAUHMTTVOAU-RDJZCZTQSA-N 0 1 385.439 3.934 20 5 GHBDMN CC[S@@](=O)[C@@H]1CCC[C@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000175863421 905687460 /nfs/dbraw/zinc/68/74/60/905687460.db2.gz QOHQJAQULDJSSJ-WZXMGIQQSA-N 0 1 393.534 3.888 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CCC[C@@H]2CC(=O)OC(C)(C)C)c1F ZINC001173192081 906275260 /nfs/dbraw/zinc/27/52/60/906275260.db2.gz HZYLEBOUPCUDLV-UONOGXRCSA-N 0 1 396.459 3.870 20 5 GHBDMN Cc1c(CC(=O)Nc2ccc3nc([C@H]4CCCO4)[nH]c3c2)cccc1[N+](=O)[O-] ZINC000178636485 906366426 /nfs/dbraw/zinc/36/64/26/906366426.db2.gz TYSFCICJLJOMIY-GOSISDBHSA-N 0 1 380.404 3.812 20 5 GHBDMN CCC[C@H](NCc1cnc(N2CCOCC2)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000185274003 907745516 /nfs/dbraw/zinc/74/55/16/907745516.db2.gz NYACAEIYMTVHOY-IBGZPJMESA-N 0 1 388.443 3.597 20 5 GHBDMN CC[C@@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)c1nc(C(F)(F)F)cs1 ZINC000185982452 907862554 /nfs/dbraw/zinc/86/25/54/907862554.db2.gz VMMAAYIVUCIGGC-VXGBXAGGSA-N 0 1 375.372 3.844 20 5 GHBDMN C[C@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC001176035870 907895820 /nfs/dbraw/zinc/89/58/20/907895820.db2.gz FWUJVFFKVRJRRF-QWRGUYRKSA-N 0 1 392.799 3.834 20 5 GHBDMN Nc1cc2nc3ccccc3nc2cc1Nc1ccc(CCN2CCOCC2)cc1 ZINC001176383031 908061079 /nfs/dbraw/zinc/06/10/79/908061079.db2.gz IOJUVCKMZYTVRQ-UHFFFAOYSA-N 0 1 399.498 3.984 20 5 GHBDMN CC(C)c1ccc(C(=O)NC2CCN(Cc3ccccn3)CC2)cc1[N+](=O)[O-] ZINC000188104307 908177473 /nfs/dbraw/zinc/17/74/73/908177473.db2.gz PEVCGENBTYHDJV-UHFFFAOYSA-N 0 1 382.464 3.508 20 5 GHBDMN COc1ccc([C@@H](C)NCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1C ZINC001176629295 908188596 /nfs/dbraw/zinc/18/85/96/908188596.db2.gz KVCZQODVQKVYHU-GFCCVEGCSA-N 0 1 377.828 3.855 20 5 GHBDMN Cn1cc(CN[C@H]2CCOc3ccc(F)cc32)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000189587001 908355300 /nfs/dbraw/zinc/35/53/00/908355300.db2.gz MCKBSLDPMXVUJP-SFHVURJKSA-N 0 1 382.395 3.748 20 5 GHBDMN COc1ccc(OCCN2CC=C(c3ccc(Cl)nc3)CC2)c([N+](=O)[O-])c1 ZINC000773669061 908591110 /nfs/dbraw/zinc/59/11/10/908591110.db2.gz MGFPLBREOLSMFL-UHFFFAOYSA-N 0 1 389.839 3.820 20 5 GHBDMN COc1cc(CN[C@@H](C)c2cnn(C)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000266127242 909015184 /nfs/dbraw/zinc/01/51/84/909015184.db2.gz BXLHBCTUZJIWPV-HNNXBMFYSA-N 0 1 396.447 3.767 20 5 GHBDMN O=[N+]([O-])c1cccc(CNc2nc3ccc(I)cc3[nH]2)c1 ZINC001179222292 909420338 /nfs/dbraw/zinc/42/03/38/909420338.db2.gz GMPHNQGPASNOOM-UHFFFAOYSA-N 0 1 394.172 3.688 20 5 GHBDMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000267410978 909486883 /nfs/dbraw/zinc/48/68/83/909486883.db2.gz PJDZEWFQQZUUAM-UHFFFAOYSA-N 0 1 388.855 3.561 20 5 GHBDMN Cc1cc(Cl)c(S(=O)(=O)Nc2ccc(F)c([C@H](C)O)c2)cc1[N+](=O)[O-] ZINC000795378995 910108227 /nfs/dbraw/zinc/10/82/27/910108227.db2.gz GAEDXKPBJPAYBG-VIFPVBQESA-N 0 1 388.804 3.550 20 5 GHBDMN CCOc1ccc([C@H](C)N[C@H]2CCN(C3CCCCC3)C2=O)cc1[N+](=O)[O-] ZINC000090464551 910361295 /nfs/dbraw/zinc/36/12/95/910361295.db2.gz GXRHUVKXSOMPIT-YOEHRIQHSA-N 0 1 375.469 3.578 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)c(Cl)cc1OC[C@H](O)CN1CCc2ccccc2C1 ZINC000795551166 911071608 /nfs/dbraw/zinc/07/16/08/911071608.db2.gz GTHVNAVFFULZRZ-CQSZACIVSA-N 0 1 397.258 3.700 20 5 GHBDMN Cc1ccc(-c2n[nH]c(NC(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3C)c2C)o1 ZINC000774042700 911321221 /nfs/dbraw/zinc/32/12/21/911321221.db2.gz IRVWECPDCKMPFL-UHFFFAOYSA-N 0 1 399.363 3.972 20 5 GHBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000092591869 911636269 /nfs/dbraw/zinc/63/62/69/911636269.db2.gz BAAQYGRDEGEYSF-QGZVFWFLSA-N 0 1 393.237 3.636 20 5 GHBDMN CN(CCc1ccccc1[N+](=O)[O-])Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000795644620 911667458 /nfs/dbraw/zinc/66/74/58/911667458.db2.gz NGXMHYNOODEVJV-UHFFFAOYSA-N 0 1 389.799 3.638 20 5 GHBDMN CC(C)(C)OC(=O)N1CCC[C@]2(CCN(Cc3ccccc3[N+](=O)[O-])C2)C1 ZINC000802009711 921746467 /nfs/dbraw/zinc/74/64/67/921746467.db2.gz SASJMNNDVBKBND-HXUWFJFHSA-N 0 1 375.469 3.818 20 5 GHBDMN CC(C)c1ccc2c(c1)[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])CC2 ZINC001189507351 916689647 /nfs/dbraw/zinc/68/96/47/916689647.db2.gz GTRHYZGHPIUTAR-INIZCTEOSA-N 0 1 378.425 3.823 20 5 GHBDMN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCc1cccc(C(F)(F)F)n1 ZINC000294759371 916963663 /nfs/dbraw/zinc/96/36/63/916963663.db2.gz IXPZAEYTNBTMBT-LLVKDONJSA-N 0 1 382.342 3.516 20 5 GHBDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)n[nH]1 ZINC000294992546 917085620 /nfs/dbraw/zinc/08/56/20/917085620.db2.gz UFRUSGZEHHSCTH-RKDXNWHRSA-N 0 1 385.346 3.736 20 5 GHBDMN O=C(CN1CCC[C@H](c2ccccc2)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001190781095 917562829 /nfs/dbraw/zinc/56/28/29/917562829.db2.gz PPEUNHZQLDQHGX-SFHVURJKSA-N 0 1 379.460 3.754 20 5 GHBDMN COc1cc(C(=O)n2c3ccccc3cc3c(=O)c(N)ccc2-3)cc(Cl)c1O ZINC001191148859 917784686 /nfs/dbraw/zinc/78/46/86/917784686.db2.gz SIBSGUWCDKRICH-UHFFFAOYSA-N 0 1 394.814 3.745 20 5 GHBDMN COC(=O)CC1(NCc2cccc([N+](=O)[O-])c2Br)CCCCC1 ZINC001191898686 918290034 /nfs/dbraw/zinc/29/00/34/918290034.db2.gz FKHDMYCMLAUUOM-UHFFFAOYSA-N 0 1 385.258 3.713 20 5 GHBDMN COc1ccc2c(c1)OCC[C@@H]2NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000369672441 923534430 /nfs/dbraw/zinc/53/44/30/923534430.db2.gz OAFLAHFHILCHDN-IBGZPJMESA-N 0 1 394.431 3.617 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1COC(=O)c1ccc(-c2nnc(C3CC3)[nH]2)cc1 ZINC000748898161 923905632 /nfs/dbraw/zinc/90/56/32/923905632.db2.gz JKONPOIRYKXIJE-UHFFFAOYSA-N 0 1 394.387 3.623 20 5 GHBDMN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000409453499 924634252 /nfs/dbraw/zinc/63/42/52/924634252.db2.gz PFOJXFSBBYTVEI-WMLDXEAASA-N 0 1 379.416 3.906 20 5 GHBDMN COc1cc(CNCc2cccc(-c3cccnc3)c2)c([N+](=O)[O-])cc1OC ZINC000372062535 925110859 /nfs/dbraw/zinc/11/08/59/925110859.db2.gz IOFHHGMMWTZWOE-UHFFFAOYSA-N 0 1 379.416 3.964 20 5 GHBDMN O=[N+]([O-])c1ccccc1-c1ccc(CN[C@@H](c2nnc[nH]2)c2ccccc2)o1 ZINC000372922778 925772990 /nfs/dbraw/zinc/77/29/90/925772990.db2.gz MMXAVPMYJPJNTB-LJQANCHMSA-N 0 1 375.388 3.852 20 5 GHBDMN COc1ccc(NC(=O)C2(NCc3ccc([N+](=O)[O-])cc3)CCCC2)cc1OC ZINC000133070035 926051004 /nfs/dbraw/zinc/05/10/04/926051004.db2.gz GQCQMACVTZDARZ-UHFFFAOYSA-N 0 1 399.447 3.653 20 5 GHBDMN CN(C)Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)cc1F ZINC000749249429 927015242 /nfs/dbraw/zinc/01/52/42/927015242.db2.gz ABRQZQLINIVDCU-UHFFFAOYSA-N 0 1 386.427 3.648 20 5 GHBDMN Cc1ccccc1CN1CCCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000749906708 927341809 /nfs/dbraw/zinc/34/18/09/927341809.db2.gz RXXLDRVZPYLVON-UHFFFAOYSA-N 0 1 387.867 3.905 20 5 GHBDMN Cc1nn(CN2CCC[C@H]2Cc2ccccc2Cl)c2ncc([N+](=O)[O-])cc12 ZINC000749945451 927363033 /nfs/dbraw/zinc/36/30/33/927363033.db2.gz OIVIXYHVKZAIEH-HNNXBMFYSA-N 0 1 385.855 3.966 20 5 GHBDMN Cc1cc(Cl)c(S(=O)(=O)Nc2ccc(-n3ccnc3)cc2)cc1[N+](=O)[O-] ZINC000752196110 928676730 /nfs/dbraw/zinc/67/67/30/928676730.db2.gz SLQJUJPAQNKRPK-UHFFFAOYSA-N 0 1 392.824 3.543 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000758781881 930165337 /nfs/dbraw/zinc/16/53/37/930165337.db2.gz YGGWFQWAMZZSLV-CABCVRRESA-N 0 1 393.484 3.729 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2nc(Cc3nnc(-c4ccccc4)[nH]3)no2)c(Cl)c1 ZINC000546495716 930218802 /nfs/dbraw/zinc/21/88/02/930218802.db2.gz DRKUVNZUWFWIHW-UHFFFAOYSA-N 0 1 382.767 3.674 20 5 GHBDMN CC(=Cc1nc(Cc2nnc(-c3ccccc3)[nH]2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000546502059 930225219 /nfs/dbraw/zinc/22/52/19/930225219.db2.gz JUIXESDSTULIFH-QBFSEMIESA-N 0 1 388.387 3.914 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCCC[C@@H]1CCCCO1 ZINC000546890699 930513535 /nfs/dbraw/zinc/51/35/35/930513535.db2.gz XOCUJUDCCWZKTR-NSHDSACASA-N 0 1 397.280 3.529 20 5 GHBDMN C/C(=C/C(=O)NC[C@@H](C)N1CCc2sccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000783895277 931706853 /nfs/dbraw/zinc/70/68/53/931706853.db2.gz YPGORIPUYVBILZ-QKXCFHHRSA-N 0 1 385.489 3.623 20 5 GHBDMN Cc1cc(C)cc([C@@H]2CCN(Cn3cnc(-c4ccc([N+](=O)[O-])cc4)n3)C2)c1 ZINC000784031344 931761850 /nfs/dbraw/zinc/76/18/50/931761850.db2.gz VDQAMIONJISZNF-GOSISDBHSA-N 0 1 377.448 3.917 20 5 GHBDMN O=C(CN1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000798193676 932559313 /nfs/dbraw/zinc/55/93/13/932559313.db2.gz MDNLXZLCKFILEB-KYJSFNMBSA-N 0 1 395.887 3.592 20 5 GHBDMN O=[N+]([O-])c1ccn(CCN2CCCC[C@@H]2Cc2ccccc2Br)n1 ZINC000559478982 932698950 /nfs/dbraw/zinc/69/89/50/932698950.db2.gz HAAHHYJRYXJXCE-OAHLLOKOSA-N 0 1 393.285 3.651 20 5 GHBDMN CC(C)c1ccc(C[NH+]2CCC(C[N-]C(=O)C(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000798956296 932838777 /nfs/dbraw/zinc/83/87/77/932838777.db2.gz QQIWXSLRTOWDAA-UHFFFAOYSA-N 0 1 387.402 3.609 20 5 GHBDMN COc1cc(CN[C@H]2C[C@@H]2C(F)F)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000561757556 934425884 /nfs/dbraw/zinc/42/58/84/934425884.db2.gz KZSWKCGNOPXDEX-GJZGRUSLSA-N 0 1 378.375 3.926 20 5 GHBDMN C[C@@](CO)([NH2+]Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC001592750376 979311442 /nfs/dbraw/zinc/31/14/42/979311442.db2.gz LIFXLHYEJFBPAR-KRWDZBQOSA-N 0 1 399.230 3.597 20 5 GHBDMN CCN(CC)[C@@H](CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)c1ccco1 ZINC001625961452 1014592535 /nfs/dbraw/zinc/59/25/35/1014592535.db2.gz PBUNPXPWUKDNPV-SFHVURJKSA-N 0 1 385.464 3.809 20 5 GHBDMN CC[C@H]1c2ccsc2CC[N@H+]1Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001595505076 981281060 /nfs/dbraw/zinc/28/10/60/981281060.db2.gz WATNCFZHZLLHQU-AWEZNQCLSA-N 0 1 376.434 3.629 20 5 GHBDMN CC[C@H]1c2ccsc2CC[N@@H+]1Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001595505076 981281064 /nfs/dbraw/zinc/28/10/64/981281064.db2.gz WATNCFZHZLLHQU-AWEZNQCLSA-N 0 1 376.434 3.629 20 5 GHBDMN CCC[N@@H+](Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)[C@H]1CCc2ccccc2C1 ZINC001595899114 982948238 /nfs/dbraw/zinc/94/82/38/982948238.db2.gz DPCYRWKFCKWQIY-IBGZPJMESA-N 0 1 398.459 3.828 20 5 GHBDMN C[C@H]1CCCC[N@@H+]1CCC1CCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC001594375483 999416860 /nfs/dbraw/zinc/41/68/60/999416860.db2.gz ULKNCLTWQVDGFZ-INIZCTEOSA-N 0 1 389.496 3.770 20 5 GHBDMN C[C@H]1CCCC[N@H+]1CCC1CCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC001594375483 999416863 /nfs/dbraw/zinc/41/68/63/999416863.db2.gz ULKNCLTWQVDGFZ-INIZCTEOSA-N 0 1 389.496 3.770 20 5 GHBDMN CN(C)c1ccc(-c2noc(-c3cc(-c4cccc([N+](=O)[O-])c4)n[nH]3)n2)cc1 ZINC001212995066 1032272451 /nfs/dbraw/zinc/27/24/51/1032272451.db2.gz GYGJDRFIOKNHGZ-UHFFFAOYSA-N 0 1 376.376 3.768 20 5 GHBDMN O=[N+]([O-])c1cc(OC(F)(F)F)ccc1O[C@H]1CC[C@@H](N2CCOCC2)CC1 ZINC001227602951 1032480398 /nfs/dbraw/zinc/48/03/98/1032480398.db2.gz CLXZHPKHYIQWRP-BETUJISGSA-N 0 1 390.358 3.516 20 5 GHBDMN O=[N+]([O-])c1ccc2[nH]cc(CCNCc3ncc(Br)s3)c2c1 ZINC000571359964 1019676927 /nfs/dbraw/zinc/67/69/27/1019676927.db2.gz NKMVQFRENLFZOO-UHFFFAOYSA-N 0 1 381.255 3.627 20 5 GHBDMN C[C@H](Oc1nc(C2CC2)[nH]c(=O)c1[N+](=O)[O-])c1ccccc1Br ZINC001228604491 1033001926 /nfs/dbraw/zinc/00/19/26/1033001926.db2.gz SPVXRMMKOACZPA-QMMMGPOBSA-N 0 1 380.198 3.870 20 5 GHBDMN CCOc1cc(CN2C[C@@H](CNC(=O)OC(C)(C)C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000755067669 1023056749 /nfs/dbraw/zinc/05/67/49/1023056749.db2.gz QLGSGGQMBLAGAE-GOEBONIOSA-N 0 1 393.484 3.729 20 5 GHBDMN CCCCOC[C@H](C)OC[C@H](C)Oc1nc(C(F)(F)F)cc(O)c1[N+](=O)[O-] ZINC001228860321 1033145116 /nfs/dbraw/zinc/14/51/16/1033145116.db2.gz TXFUOJZPEKPPNC-QWRGUYRKSA-N 0 1 396.362 3.703 20 5 GHBDMN O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCC(F)(F)C2)c1Cl ZINC000831353991 1024513005 /nfs/dbraw/zinc/51/30/05/1024513005.db2.gz ZMEPEDYYDPSUTC-SSDOTTSWSA-N 0 1 389.207 3.615 20 5 GHBDMN COC(=O)c1c(O[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC001229046547 1033247601 /nfs/dbraw/zinc/24/76/01/1033247601.db2.gz SZKAFRIGUFSNES-KXBFYZLASA-N 0 1 384.432 3.671 20 5 GHBDMN COC(=O)c1c(O[C@@H]2CCN(Cc3ccccc3Cl)C2)cccc1[N+](=O)[O-] ZINC001229049716 1033250199 /nfs/dbraw/zinc/25/01/99/1033250199.db2.gz IYNQHOIRRTXOLM-CQSZACIVSA-N 0 1 390.823 3.688 20 5 GHBDMN O=[N+]([O-])c1cc(Br)ccc1N1CCN(CCc2ccccc2)CC1 ZINC001162056019 1025572320 /nfs/dbraw/zinc/57/23/20/1025572320.db2.gz WKXDBSZLBBXLRW-UHFFFAOYSA-N 0 1 390.281 3.722 20 5 GHBDMN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCc3nc(C4CCCCC4)[nH]c3C2)c1 ZINC001139223626 1026077907 /nfs/dbraw/zinc/07/79/07/1026077907.db2.gz MMCMYNKDDHOKHZ-HNNXBMFYSA-N 0 1 382.464 3.961 20 5 GHBDMN CN1CCN(C)C2(CCN(Cc3c4ccccc4cc4ccccc43)CC2)C1=O ZINC001141724548 1026348296 /nfs/dbraw/zinc/34/82/96/1026348296.db2.gz JPZNLBWHZVOOFF-UHFFFAOYSA-N 0 1 387.527 3.731 20 5 GHBDMN Cc1c(NC(=O)N2CCN(C3CCC3)CC2)cc([N+](=O)[O-])cc1C(F)(F)F ZINC001209881440 1027259070 /nfs/dbraw/zinc/25/90/70/1027259070.db2.gz XHGXFTHPGGTQGV-UHFFFAOYSA-N 0 1 386.374 3.624 20 5 GHBDMN O=[N+]([O-])c1cc(F)cc(-c2nc(-c3ncccc3/C=C/N3CCCC3)no2)c1 ZINC001216482493 1029657480 /nfs/dbraw/zinc/65/74/80/1029657480.db2.gz FAVSMZFRGWHNJU-WEVVVXLNSA-N 0 1 381.367 3.912 20 5 GHBDMN CC(C)[C@@H](N)c1noc(-c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)n1 ZINC000843152803 1029833574 /nfs/dbraw/zinc/83/35/74/1029833574.db2.gz GYKBIYJDBRDNIW-GFCCVEGCSA-N 0 1 397.222 3.793 20 5 GHBDMN COc1cccc(-c2nc(-c3ncccc3/C=C/N3CCCC3)no2)c1[N+](=O)[O-] ZINC001216870608 1029972743 /nfs/dbraw/zinc/97/27/43/1029972743.db2.gz GCHXWELESCJARI-UKTHLTGXSA-N 0 1 393.403 3.782 20 5 GHBDMN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001217146908 1030196352 /nfs/dbraw/zinc/19/63/52/1030196352.db2.gz JLAJOZWSFAENBX-RDJZCZTQSA-N 0 1 398.463 3.951 20 5 GHBDMN CC(C)[C@H]1CN(Cc2ccccc2)CCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC001461711803 1069694751 /nfs/dbraw/zinc/69/47/51/1069694751.db2.gz HMFVDENDDHYXQD-JOCHJYFZSA-N 0 1 395.503 3.896 20 5 GHBDMN CC(C)(C)c1nc2c([nH]1)c1ccc(F)cc1c1c2ccnc1O[C@@H]1CNC(=O)C1 ZINC001218338739 1030901184 /nfs/dbraw/zinc/90/11/84/1030901184.db2.gz JICNJVDJWCYIGZ-LBPRGKRZSA-N 0 1 392.434 3.968 20 5 GHBDMN O=C1C[C@H]2C[C@@H](OCCc3ccc([N+](=O)[O-])cc3)[C@@H](C1)N2Cc1ccccc1 ZINC001224334294 1030972383 /nfs/dbraw/zinc/97/23/83/1030972383.db2.gz VTZMAENGKSYBAS-KSEOMHKRSA-N 0 1 380.444 3.529 20 5 GHBDMN COC(=O)COc1ccc(CNCc2ccc(C(C)(C)C)s2)cc1[N+](=O)[O-] ZINC001461734508 1069710190 /nfs/dbraw/zinc/71/01/90/1069710190.db2.gz DIXHVDPLYFBMEQ-UHFFFAOYSA-N 0 1 392.477 3.795 20 5 GHBDMN N[C@H](Cc1ccc2ccccc2n1)C(=O)Nc1cc2cccnc2c2ncccc12 ZINC001218980007 1031191432 /nfs/dbraw/zinc/19/14/32/1031191432.db2.gz PDCPMMIRWNVLGI-LJQANCHMSA-N 0 1 393.450 3.840 20 5 GHBDMN O=C(Nc1ccc2nc(CO)[nH]c2c1)c1ccc2oc3ccccc3c(=O)c2c1 ZINC001153422492 1031583774 /nfs/dbraw/zinc/58/37/74/1031583774.db2.gz KCMUBVCBSQMROX-UHFFFAOYSA-N 0 1 385.379 3.567 20 5 GHBDMN COc1ccc(C(Oc2nc(C)[nH]c(=O)c2[N+](=O)[O-])c2ccc(OC)cc2)cc1 ZINC001229377930 1033445842 /nfs/dbraw/zinc/44/58/42/1033445842.db2.gz CUMCSUAZCQTJJS-UHFFFAOYSA-N 0 1 397.387 3.584 20 5 GHBDMN COc1ccc(F)c(-c2noc(-c3cc(-c4ccc([N+](=O)[O-])cc4)n[nH]3)n2)c1 ZINC001213008371 1033578622 /nfs/dbraw/zinc/57/86/22/1033578622.db2.gz HYCDIHGMVCPYDK-UHFFFAOYSA-N 0 1 381.323 3.850 20 5 GHBDMN Cn1cc2cccc(-c3noc(-c4cc(-c5ccc([N+](=O)[O-])cc5)n[nH]4)n3)c2n1 ZINC001213008655 1033600501 /nfs/dbraw/zinc/60/05/01/1033600501.db2.gz WJRYRMSZHPKGDL-UHFFFAOYSA-N 0 1 387.359 3.589 20 5 GHBDMN COc1cc(O[C@@H]2CCN(C(C)C)C2)c2c(c1)oc1ccc(OC)c(O)c1c2=O ZINC001230525714 1034103129 /nfs/dbraw/zinc/10/31/29/1034103129.db2.gz ILICHTQWQMMVDY-CYBMUJFWSA-N 0 1 399.443 3.531 20 5 GHBDMN CCN1CCC(Oc2cc(OC)cc3oc4ccc(OC)c(O)c4c(=O)c23)CC1 ZINC001230526065 1034103184 /nfs/dbraw/zinc/10/31/84/1034103184.db2.gz PVEVZKGWYMCVKI-UHFFFAOYSA-N 0 1 399.443 3.532 20 5 GHBDMN CN(CC(=O)Nc1nc2cc(Cl)cc(Cl)c2[nH]1)c1ccccc1[N+](=O)[O-] ZINC001461908227 1069869697 /nfs/dbraw/zinc/86/96/97/1069869697.db2.gz LTQHBBJDBBYIBV-UHFFFAOYSA-N 0 1 394.218 3.853 20 5 GHBDMN O=C(c1ccc(Nc2cc3cccnc3c3ncccc23)cc1)N1CCNCC1 ZINC001159736276 1034728908 /nfs/dbraw/zinc/72/89/08/1034728908.db2.gz LDRDENJPQKJJCO-UHFFFAOYSA-N 0 1 383.455 3.572 20 5 GHBDMN Nc1ncc(C(=O)Nc2ccc(-c3nc4ccc(F)cc4[nH]3)cc2)cc1[N+](=O)[O-] ZINC001160738032 1035049754 /nfs/dbraw/zinc/04/97/54/1035049754.db2.gz AZRNQUAVXVDUFC-UHFFFAOYSA-N 0 1 392.350 3.507 20 5 GHBDMN O=[N+]([O-])c1cc(NC2CCN(Cc3ccncc3)CC2)c2ncnc(Cl)c2c1 ZINC001161106263 1035143739 /nfs/dbraw/zinc/14/37/39/1035143739.db2.gz XECLROYLLMIPJI-UHFFFAOYSA-N 0 1 398.854 3.663 20 5 GHBDMN Fc1cnc(OC2CCN(Cc3ccc4ccc5cccnc5c4n3)CC2)nc1 ZINC001232227219 1035172264 /nfs/dbraw/zinc/17/22/64/1035172264.db2.gz HWVWOJFXLAIHSA-UHFFFAOYSA-N 0 1 389.434 3.756 20 5 GHBDMN COc1cccnc1O[C@@H]1CCN(Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232227163 1035172395 /nfs/dbraw/zinc/17/23/95/1035172395.db2.gz HEGRLMDWOXXHGG-LJQANCHMSA-N 0 1 386.455 3.840 20 5 GHBDMN CCCC[C@H](CCC)NC(=O)Nc1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC001209684586 1035355185 /nfs/dbraw/zinc/35/51/85/1035355185.db2.gz FRSJAKPZWPCLNP-INIZCTEOSA-N 0 1 391.516 3.827 20 5 GHBDMN C[C@@]1(c2ccccc2)CC[C@H](N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)C1 ZINC001462275875 1070137674 /nfs/dbraw/zinc/13/76/74/1070137674.db2.gz NESYVBKMQGLGIS-WMZHIEFXSA-N 0 1 393.487 3.863 20 5 GHBDMN CC[C@@H](O)C(=O)Oc1c(CC=C(C)C)c(O)cc2oc3ccc(O)cc3c(=O)c21 ZINC001234738299 1040263492 /nfs/dbraw/zinc/26/34/92/1040263492.db2.gz AIVAKUQGGKGSFP-OAHLLOKOSA-N 0 1 398.411 3.542 20 5 GHBDMN COc1c(O)ccc2c(=O)c3c(O[C@H]4CCC[N@H+](C(C)C)C4)cc([O-])cc3oc21 ZINC001234752127 1040279593 /nfs/dbraw/zinc/27/95/93/1040279593.db2.gz UZNFWWABHCWBSC-AWEZNQCLSA-N 0 1 399.443 3.618 20 5 GHBDMN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC001254552657 1040321081 /nfs/dbraw/zinc/32/10/81/1040321081.db2.gz ODMZZBIAPZAYBM-HNNXBMFYSA-N 0 1 380.448 3.918 20 5 GHBDMN Cc1ccc2c(n1)N(CC1CC1)CCN([C@@H](C)Cc1ccccc1[N+](=O)[O-])C2 ZINC001254562572 1040336863 /nfs/dbraw/zinc/33/68/63/1040336863.db2.gz NCLUXKMMHQIRRV-KRWDZBQOSA-N 0 1 380.492 3.961 20 5 GHBDMN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001254565192 1040340660 /nfs/dbraw/zinc/34/06/60/1040340660.db2.gz NQNPWJCEZUAXFF-HOTGVXAUSA-N 0 1 377.485 3.857 20 5 GHBDMN C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](NC(=O)c2ccccc2F)C1 ZINC001254567959 1040344258 /nfs/dbraw/zinc/34/42/58/1040344258.db2.gz DIFKWKYVQTVNPX-NVXWUHKLSA-N 0 1 385.439 3.559 20 5 GHBDMN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCC[C@@H](NC(=O)c2ccccc2F)C1 ZINC001254567959 1040344275 /nfs/dbraw/zinc/34/42/75/1040344275.db2.gz DIFKWKYVQTVNPX-NVXWUHKLSA-N 0 1 385.439 3.559 20 5 GHBDMN COC(=O)c1ccc(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)cc1Br ZINC001462577488 1070384926 /nfs/dbraw/zinc/38/49/26/1070384926.db2.gz OVCXXBACCLALEQ-LLVKDONJSA-N 0 1 393.237 3.995 20 5 GHBDMN C[C@@H]1CN(CCc2nnc(-c3ccc(-c4cccc([N+](=O)[O-])c4)o3)o2)C[C@H](C)O1 ZINC001258120345 1044407244 /nfs/dbraw/zinc/40/72/44/1044407244.db2.gz RAJRGDLKNFGDNY-OKILXGFUSA-N 0 1 398.419 3.557 20 5 GHBDMN CCCC[N@@H+](CC)Cc1cccc(CNC(=O)c2cccc([N+](=O)[O-])c2[O-])c1 ZINC001294572768 1044711455 /nfs/dbraw/zinc/71/14/55/1044711455.db2.gz YMJCZDPIOTUMBP-UHFFFAOYSA-N 0 1 385.464 3.852 20 5 GHBDMN CC(=O)c1ccc(S(=O)(=O)Nc2cc3cccnc3c3ncccc23)cc1 ZINC001259177139 1044993738 /nfs/dbraw/zinc/99/37/38/1044993738.db2.gz DJWOJVBZFOIQEQ-UHFFFAOYSA-N 0 1 377.425 3.786 20 5 GHBDMN Cc1ccc(CCNS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)c(C)c1 ZINC001462925858 1070665817 /nfs/dbraw/zinc/66/58/17/1070665817.db2.gz KIFFZGYRSXQQNR-UHFFFAOYSA-N 0 1 386.832 3.525 20 5 GHBDMN CN1CCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC12CCCCC2 ZINC001298171048 1045723105 /nfs/dbraw/zinc/72/31/05/1045723105.db2.gz VAIABHRFFAIETA-UHFFFAOYSA-N 0 1 385.386 3.704 20 5 GHBDMN C[C@@H](c1nc2ccc(Cl)cc2[nH]1)N(C)C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC001298246594 1045749564 /nfs/dbraw/zinc/74/95/64/1045749564.db2.gz KCNBHIWNNFXUGF-QMMMGPOBSA-N 0 1 391.790 3.679 20 5 GHBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC[C@H](c3nc4ccccc4[nH]3)C2)c1 ZINC001261503617 1046012812 /nfs/dbraw/zinc/01/28/12/1046012812.db2.gz GGZPDWAHAXPPDQ-HNNXBMFYSA-N 0 1 394.431 3.637 20 5 GHBDMN Cc1c(C(=O)OCc2cnc(-c3ccc([N+](=O)[O-])cc3)o2)ccc2cncn21 ZINC001263292308 1046688647 /nfs/dbraw/zinc/68/86/47/1046688647.db2.gz BNNCUZXSJFNDOH-UHFFFAOYSA-N 0 1 378.344 3.563 20 5 GHBDMN Cc1nc(-c2ccccc2)[nH]c1C(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)c[nH]1 ZINC001306865968 1048934923 /nfs/dbraw/zinc/93/49/23/1048934923.db2.gz SKQHIVXYYXWIHU-UHFFFAOYSA-N 0 1 388.387 3.936 20 5 GHBDMN O=[N+]([O-])c1ccccc1CN1CCC[C@@](O)(c2ccc(Br)cc2)C1 ZINC001308129992 1049874111 /nfs/dbraw/zinc/87/41/11/1049874111.db2.gz XEFLRGJGZMZTSO-SFHVURJKSA-N 0 1 391.265 3.841 20 5 GHBDMN Cc1cc(C[C@H](C)NC(=O)Nc2cc([N+](=O)[O-])cc(C(F)(F)F)c2C)n[nH]1 ZINC001311259379 1051974068 /nfs/dbraw/zinc/97/40/68/1051974068.db2.gz GVSGTWVLWZPMRG-QMMMGPOBSA-N 0 1 385.346 3.706 20 5 GHBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@](O)(c2ccccc2)C1 ZINC001335103329 1052034664 /nfs/dbraw/zinc/03/46/64/1052034664.db2.gz VSJDJLNKLGAGDL-QVKFZJNVSA-N 0 1 394.431 3.689 20 5 GHBDMN COc1ccc(NC(=O)CN[C@H](C)c2ccc(Cl)c(F)c2)c([N+](=O)[O-])c1 ZINC001320617924 1055904143 /nfs/dbraw/zinc/90/41/43/1055904143.db2.gz LDLNNPQCXFGODI-SNVBAGLBSA-N 0 1 381.791 3.685 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(CNC[C@@H]2CCCCS2(=O)=O)o1 ZINC001320912231 1056011502 /nfs/dbraw/zinc/01/15/02/1056011502.db2.gz MSKCWHSPQJNNIT-AWEZNQCLSA-N 0 1 398.868 3.565 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(CNC[C@H]2CCCCS2(=O)=O)o1 ZINC001320912232 1056011665 /nfs/dbraw/zinc/01/16/65/1056011665.db2.gz MSKCWHSPQJNNIT-CQSZACIVSA-N 0 1 398.868 3.565 20 5 GHBDMN C[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1C(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001356354812 1057486353 /nfs/dbraw/zinc/48/63/53/1057486353.db2.gz LGTAMMDZCPHZCA-DLBZAZTESA-N 0 1 399.466 3.788 20 5 GHBDMN O=C(Nc1ccc(OC(F)F)c(F)c1)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001441724780 1058852966 /nfs/dbraw/zinc/85/29/66/1058852966.db2.gz QLFOWDXZVFNHHA-UHFFFAOYSA-N 0 1 392.293 3.978 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)c2ncnc(NC3CCN(Cc4cccnc4)CC3)c2c1 ZINC001347230205 1062227062 /nfs/dbraw/zinc/22/70/62/1062227062.db2.gz BYDVKMWNFQIPTR-UHFFFAOYSA-N 0 1 398.854 3.663 20 5 GHBDMN CC[C@@H](c1ccccc1)N1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC001435308575 1062493104 /nfs/dbraw/zinc/49/31/04/1062493104.db2.gz CUBSVJBUOFRUMN-NRFANRHFSA-N 0 1 381.476 3.823 20 5 GHBDMN O=C(Nc1cc(F)c(O)cc1Cl)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC001456619804 1062786077 /nfs/dbraw/zinc/78/60/77/1062786077.db2.gz ROEAEHVVEKFZKO-UHFFFAOYSA-N 0 1 382.731 3.507 20 5 GHBDMN CC(C)(c1ccc(F)cc1)C1(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC001436285078 1063360821 /nfs/dbraw/zinc/36/08/21/1063360821.db2.gz XEJXSHUDVJGTEH-UHFFFAOYSA-N 0 1 382.395 3.850 20 5 GHBDMN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc2nc(-c3ccncc3)[nH]c2c1 ZINC001457986055 1063486648 /nfs/dbraw/zinc/48/66/48/1063486648.db2.gz SJNHMPZQBBYDFS-UHFFFAOYSA-N 0 1 389.371 3.551 20 5 GHBDMN Cc1nc([C@H]2CCCN(c3ccc([N+](=O)[O-])cc3C(=O)c3ccccc3)C2)n[nH]1 ZINC001458284948 1063722188 /nfs/dbraw/zinc/72/21/88/1063722188.db2.gz IMYUUZXXVSWRQX-INIZCTEOSA-N 0 1 391.431 3.636 20 5 GHBDMN Cc1nnc([C@H]2CCCN(c3ccc([N+](=O)[O-])cc3C(=O)c3ccccc3)C2)[nH]1 ZINC001458284948 1063722205 /nfs/dbraw/zinc/72/22/05/1063722205.db2.gz IMYUUZXXVSWRQX-INIZCTEOSA-N 0 1 391.431 3.636 20 5 GHBDMN CN(C)c1c(Cl)cccc1NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001464020914 1064774104 /nfs/dbraw/zinc/77/41/04/1064774104.db2.gz YUFPBNVCNVIKDF-UHFFFAOYSA-N 0 1 385.811 3.957 20 5 GHBDMN O=C(NCCN1CCc2ccccc2C1)Nc1ccc([N+](=O)[O-])c2ccccc12 ZINC001467547349 1067352306 /nfs/dbraw/zinc/35/23/06/1067352306.db2.gz BXSYDSIRSAYTCN-UHFFFAOYSA-N 0 1 390.443 3.928 20 5 GHBDMN Cc1cc([N+](=O)[O-])c(C(=O)N2CCN(CC3CCCCC3)CC2)cc1Cl ZINC001358004097 1067361764 /nfs/dbraw/zinc/36/17/64/1067361764.db2.gz NASJNDUFRMIUCZ-UHFFFAOYSA-N 0 1 379.888 3.895 20 5 GHBDMN O=C(NCc1cc([N+](=O)[O-])c(F)cc1F)c1cn[nH]c1-c1ccc(Cl)s1 ZINC001469453869 1068169743 /nfs/dbraw/zinc/16/97/43/1068169743.db2.gz KMUSMOFHWQNJFW-UHFFFAOYSA-N 0 1 398.778 3.908 20 5 GHBDMN O=C(NC1(c2cccc(OC(F)(F)F)c2)CC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC001469529446 1068206308 /nfs/dbraw/zinc/20/63/08/1068206308.db2.gz NWZHKSJLFCTBCR-UHFFFAOYSA-N 0 1 382.294 3.618 20 5 GHBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@@](C)(C(=O)OC(C)(C)C)C1 ZINC001460205021 1068858241 /nfs/dbraw/zinc/85/82/41/1068858241.db2.gz YALHFOKUNPWBRG-HXUWFJFHSA-N 0 1 378.469 3.936 20 5 GHBDMN CC[C@H](c1ccccc1)N1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC001478358060 1078831294 /nfs/dbraw/zinc/83/12/94/1078831294.db2.gz CBKACRUYTGHKLT-OAQYLSRUSA-N 0 1 396.491 3.616 20 5 GHBDMN O=C(NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)[C@@H]1CCCN1Cc1ccccc1 ZINC001470809614 1072751936 /nfs/dbraw/zinc/75/19/36/1072751936.db2.gz USENVXIUNMGNHS-INIZCTEOSA-N 0 1 391.830 3.668 20 5 GHBDMN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(C2CCCC2)[C@H](C)C1 ZINC001471826635 1073227892 /nfs/dbraw/zinc/22/78/92/1073227892.db2.gz QAMXMJUNOLUMNF-HUUCEWRRSA-N 0 1 377.510 3.551 20 5 GHBDMN CSc1ccc(CCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1 ZINC001472504034 1073519320 /nfs/dbraw/zinc/51/93/20/1073519320.db2.gz OHNKSGZLSINBDH-UHFFFAOYSA-N 0 1 383.433 3.673 20 5 GHBDMN Cc1ccc(C[C@@H]2CCCN(CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)C2)cc1 ZINC001473133816 1073797813 /nfs/dbraw/zinc/79/78/13/1073797813.db2.gz FELQGUWPXJEQAT-IBGZPJMESA-N 0 1 393.487 3.747 20 5 GHBDMN CCc1ccc([C@@H]2CCCN(CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C2)cc1 ZINC001473450801 1073968807 /nfs/dbraw/zinc/96/88/07/1073968807.db2.gz WYHXTJKSQJWANA-HXUWFJFHSA-N 0 1 393.487 3.926 20 5 GHBDMN C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)[N@H+](Cc2cc([O-])ccc2[N+](=O)[O-])[C@H]1C ZINC001473594894 1074037744 /nfs/dbraw/zinc/03/77/44/1074037744.db2.gz JZZZUXWVRUONKY-YCPHGPKFSA-N 0 1 393.484 3.814 20 5 GHBDMN C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])[C@H]1C ZINC001473594894 1074037751 /nfs/dbraw/zinc/03/77/51/1074037751.db2.gz JZZZUXWVRUONKY-YCPHGPKFSA-N 0 1 393.484 3.814 20 5 GHBDMN O=C([O-])/C=C\c1ccc(NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000739622404 599960251 /nfs/dbraw/zinc/96/02/51/599960251.db2.gz BAOKIIOUMDFVHT-GXVATQTDSA-N 0 1 395.459 3.669 20 5 GHBDMN O=C([O-])c1cc([N+](=O)[O-])c(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1Cl ZINC000740096719 600943053 /nfs/dbraw/zinc/94/30/53/600943053.db2.gz OXOVDURXJZDFSK-CYBMUJFWSA-N 0 1 375.812 3.633 20 5 GHBDMN O=C(NC[C@H](Cc1ccccc1)C(F)(F)F)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000580746329 837399218 /nfs/dbraw/zinc/39/92/18/837399218.db2.gz NHHPPEJODCWJKM-LBPRGKRZSA-N 0 1 392.337 3.622 20 5 GHBDMN O=C(c1cc([N+](=O)[O-])ccc1Sc1ccccc1)N1CCN2CCC1CC2 ZINC000188836057 837829487 /nfs/dbraw/zinc/82/94/87/837829487.db2.gz WXZUZYPOTPQGHM-UHFFFAOYSA-N 0 1 383.473 3.666 20 5 GHBDMN Cc1cc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)ccc1OCC(F)(F)F ZINC000120260300 834996956 /nfs/dbraw/zinc/99/69/56/834996956.db2.gz IDXGLSWAAUHUMJ-UHFFFAOYSA-N 0 1 396.368 3.707 20 5 GHBDMN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000179597215 835895130 /nfs/dbraw/zinc/89/51/30/835895130.db2.gz NSXHSKRPULGACS-LLVKDONJSA-N 0 1 381.358 3.993 20 5 GHBDMN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179597215 835895135 /nfs/dbraw/zinc/89/51/35/835895135.db2.gz NSXHSKRPULGACS-LLVKDONJSA-N 0 1 381.358 3.993 20 5 GHBDMN C[C@H](N[C@@H](C)c1cccc(OC(F)F)c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000179594775 835895276 /nfs/dbraw/zinc/89/52/76/835895276.db2.gz PRXOAISUOQWNMM-RYUDHWBXSA-N 0 1 379.363 3.874 20 5 GHBDMN C[C@H](N[C@@H]1CCO[C@H]1c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000249130189 835942346 /nfs/dbraw/zinc/94/23/46/835942346.db2.gz XWPMEWMQFQUOAE-RZAIGCCYSA-N 0 1 389.839 3.695 20 5 GHBDMN CCOc1cc(CN2CCC(C(=O)Nc3ccc(O)cc3)CC2)ccc1[N+](=O)[O-] ZINC000276947209 844114141 /nfs/dbraw/zinc/11/41/41/844114141.db2.gz TVKKABZLBPRGOT-UHFFFAOYSA-N 0 1 399.447 3.550 20 5 GHBDMN COc1ccc(C[C@@H](C)CN(C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000535629004 836062451 /nfs/dbraw/zinc/06/24/51/836062451.db2.gz NEQKZSKRBVRGEM-OAHLLOKOSA-N 0 1 385.464 3.661 20 5 GHBDMN O=[N+]([O-])c1cccc2c1CC[C@@H]2NCc1cc2c(c(Br)c1)OCO2 ZINC000582370083 836269747 /nfs/dbraw/zinc/26/97/47/836269747.db2.gz FKCZMGOOXSGDIC-AWEZNQCLSA-N 0 1 391.221 3.863 20 5 GHBDMN O=[N+]([O-])c1ccc(CN[C@H](c2ccccc2)C2(CO)CCOCC2)c(Cl)c1 ZINC000412011861 836324928 /nfs/dbraw/zinc/32/49/28/836324928.db2.gz PUHPSSSPUYPIOA-LJQANCHMSA-N 0 1 390.867 3.868 20 5 GHBDMN Cc1nc(-c2cccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c2)cs1 ZINC000003120971 836367891 /nfs/dbraw/zinc/36/78/91/836367891.db2.gz SHMMSBNHKQXZPH-UHFFFAOYSA-N 0 1 375.431 3.828 20 5 GHBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCCC[C@@H]1c1nnc(CC(F)(F)F)o1 ZINC000549719072 844162369 /nfs/dbraw/zinc/16/23/69/844162369.db2.gz NYZCQQNEEQUERK-CYBMUJFWSA-N 0 1 386.330 3.515 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1c(O)cccc1F ZINC000610254156 836523206 /nfs/dbraw/zinc/52/32/06/836523206.db2.gz CLCFBEGPHVILFD-UHFFFAOYSA-N 0 1 381.168 3.547 20 5 GHBDMN CC(C)(NC(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000431683903 836773348 /nfs/dbraw/zinc/77/33/48/836773348.db2.gz DKNRGDDFALRLKJ-HXUWFJFHSA-N 0 1 396.491 3.794 20 5 GHBDMN C[C@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)c1nc2ccccc2n1C(F)F ZINC000275403940 836986981 /nfs/dbraw/zinc/98/69/81/836986981.db2.gz CFMCSXKDUKDLLB-MEDUHNTESA-N 0 1 376.363 3.724 20 5 GHBDMN CCc1ccc(C(=O)NC[C@H](c2ccc(OC)cc2)N2CCCC2)cc1[N+](=O)[O-] ZINC000471360427 837349218 /nfs/dbraw/zinc/34/92/18/837349218.db2.gz OFYBBYSRUOVCDJ-OAQYLSRUSA-N 0 1 397.475 3.733 20 5 GHBDMN Cc1cc(N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000584410380 837848304 /nfs/dbraw/zinc/84/83/04/837848304.db2.gz BHYGMDAAEZBXLF-QGZVFWFLSA-N 0 1 383.448 3.702 20 5 GHBDMN CCC[C@H](N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000189059837 838192658 /nfs/dbraw/zinc/19/26/58/838192658.db2.gz FKKPGUHZBDZCPE-VQTJNVASSA-N 0 1 385.439 3.966 20 5 GHBDMN COc1cc(C(=O)N2CCN(Cc3ccccc3)CC[C@H]2C)cc([N+](=O)[O-])c1C ZINC000616360978 838251203 /nfs/dbraw/zinc/25/12/03/838251203.db2.gz WCSDORWDKYUTRW-MRXNPFEDSA-N 0 1 397.475 3.648 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc(-c2ccccc2F)n[nH]1 ZINC000005676660 839276366 /nfs/dbraw/zinc/27/63/66/839276366.db2.gz AOIWBQMZQQLRQC-UHFFFAOYSA-N 0 1 387.396 3.558 20 5 GHBDMN COc1cc(CN2CC[C@@H](c3ccncc3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000580391967 839467359 /nfs/dbraw/zinc/46/73/59/839467359.db2.gz UZDIZFDVZTUISQ-CYBMUJFWSA-N 0 1 379.363 3.589 20 5 GHBDMN CC[C@@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1cc(F)ccc1F ZINC000610136357 839761556 /nfs/dbraw/zinc/76/15/56/839761556.db2.gz SOBSLTXURBURIN-CYBMUJFWSA-N 0 1 390.795 3.956 20 5 GHBDMN Cc1cc(N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)c2cc(F)ccc2n1 ZINC000549301584 839939872 /nfs/dbraw/zinc/93/98/72/839939872.db2.gz FGKDLFPNAUZOAZ-UHFFFAOYSA-N 0 1 394.406 3.553 20 5 GHBDMN COc1cc2c(c(OC)c1OC)CCN([C@H](C)c1cccc([N+](=O)[O-])c1)CC2 ZINC000432026975 840537401 /nfs/dbraw/zinc/53/74/01/840537401.db2.gz VQQNHWFOOCSMRS-CQSZACIVSA-N 0 1 386.448 3.782 20 5 GHBDMN CC[C@H](CS(=O)(=O)c1ccccc1)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181658762 840628077 /nfs/dbraw/zinc/62/80/77/840628077.db2.gz DSFPYHZQNYLOTK-DOTOQJQBSA-N 0 1 376.478 3.806 20 5 GHBDMN CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000050863864 840948245 /nfs/dbraw/zinc/94/82/45/840948245.db2.gz LGRFDBOHJGCDRT-MGPUTAFESA-N 0 1 394.431 3.711 20 5 GHBDMN CCN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@H](C)Cc1ccc(OC)cc1 ZINC000066856883 840985535 /nfs/dbraw/zinc/98/55/35/840985535.db2.gz GIZNMPULBJNQLO-CYBMUJFWSA-N 0 1 382.420 3.573 20 5 GHBDMN C[C@@H](OC(C)(C)C)[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)[O-] ZINC000417590891 841038558 /nfs/dbraw/zinc/03/85/58/841038558.db2.gz WRJYULKVYKAQRO-PXAZEXFGSA-N 0 1 376.409 3.601 20 5 GHBDMN O=[N+]([O-])c1cc(Br)ccc1CN1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000322464664 844631228 /nfs/dbraw/zinc/63/12/28/844631228.db2.gz MRRAYJLACZCAAM-UXLLHSPISA-N 0 1 383.286 3.873 20 5 GHBDMN CCOc1ccccc1NC(=O)CCN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135230487 841411183 /nfs/dbraw/zinc/41/11/83/841411183.db2.gz PDOLJOIRYDNJNF-UHFFFAOYSA-N 0 1 383.448 3.987 20 5 GHBDMN O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1 ZINC000109020902 841768072 /nfs/dbraw/zinc/76/80/72/841768072.db2.gz CDLIRULHZCIYSS-SFHVURJKSA-N 0 1 395.419 3.763 20 5 GHBDMN CNC(=O)c1ccc(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)c([N+](=O)[O-])c1 ZINC000053556588 841778520 /nfs/dbraw/zinc/77/85/20/841778520.db2.gz IDGAXPWTYASLNC-UHFFFAOYSA-N 0 1 389.824 3.544 20 5 GHBDMN Cc1cc(N2CCN([C@@H](C)c3nccs3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302197071 861237665 /nfs/dbraw/zinc/23/76/65/861237665.db2.gz PCZNUHLQUNPHMF-AWEZNQCLSA-N 0 1 383.477 3.791 20 5 GHBDMN COc1cc(CN2CCC[C@H](c3nc(C(F)(F)F)cn3C)C2)ccc1[N+](=O)[O-] ZINC000489800284 861248239 /nfs/dbraw/zinc/24/82/39/861248239.db2.gz BFANNGLITFUIDC-ZDUSSCGKSA-N 0 1 398.385 3.735 20 5 GHBDMN O=[N+]([O-])c1c2cccnc2ccc1N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000603844888 861262627 /nfs/dbraw/zinc/26/26/27/861262627.db2.gz GACOXWCLOHWBGM-UHFFFAOYSA-N 0 1 380.423 3.994 20 5 GHBDMN COc1ccccc1[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)N1CCCCC1 ZINC000055752056 861303400 /nfs/dbraw/zinc/30/34/00/861303400.db2.gz PVHSQWPZTUPGCC-LJQANCHMSA-N 0 1 383.448 3.560 20 5 GHBDMN O=[N+]([O-])c1cc(C[N@H+](CCCO)[C@H]2CCCc3ccccc32)c2c(c1)COCO2 ZINC000178396181 843641744 /nfs/dbraw/zinc/64/17/44/843641744.db2.gz LYVXUHVURDQKHZ-NRFANRHFSA-N 0 1 398.459 3.723 20 5 GHBDMN O=[N+]([O-])c1cc(CN(CCCO)[C@H]2CCCc3ccccc32)c2c(c1)COCO2 ZINC000178396181 843641748 /nfs/dbraw/zinc/64/17/48/843641748.db2.gz LYVXUHVURDQKHZ-NRFANRHFSA-N 0 1 398.459 3.723 20 5 GHBDMN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1cc(-c2ccccc2)on1 ZINC000482005754 843652965 /nfs/dbraw/zinc/65/29/65/843652965.db2.gz FIGUIXDIDJDTPU-CQSZACIVSA-N 0 1 380.404 3.757 20 5 GHBDMN CCOc1ccc(NC(=O)CN[C@H](C)c2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000120389686 843686870 /nfs/dbraw/zinc/68/68/70/843686870.db2.gz IQVDLZSGRFSFKZ-GFCCVEGCSA-N 0 1 377.828 3.936 20 5 GHBDMN COc1cc(CNc2ccc(C(=O)N3CCCC[C@@H]3C)cc2)cc([N+](=O)[O-])c1O ZINC000512628172 844832217 /nfs/dbraw/zinc/83/22/17/844832217.db2.gz LBQHWFKPBAMWEM-AWEZNQCLSA-N 0 1 399.447 3.936 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N(C)Cc2ccc(Br)s2)c1[N+](=O)[O-] ZINC000433672157 845180621 /nfs/dbraw/zinc/18/06/21/845180621.db2.gz AFIIYHKUPLJPQM-UHFFFAOYSA-N 0 1 387.259 3.538 20 5 GHBDMN C[C@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccc(C(F)(F)F)cc1 ZINC000182441732 845444486 /nfs/dbraw/zinc/44/44/86/845444486.db2.gz RXNOKCYGBFPBMF-LBPRGKRZSA-N 0 1 381.354 3.927 20 5 GHBDMN CCN(C)Cc1cc(O[C@@H]2CCN(c3cc(Cl)ccc3[N+](=O)[O-])C2)ccn1 ZINC000856533831 881341077 /nfs/dbraw/zinc/34/10/77/881341077.db2.gz OVSWQVMLXVGUFD-QGZVFWFLSA-N 0 1 390.871 3.753 20 5 GHBDMN O=C(CSc1nc(-c2ccc(Cl)cc2)n[nH]1)Nc1ccccc1[N+](=O)[O-] ZINC000028831446 861633019 /nfs/dbraw/zinc/63/30/19/861633019.db2.gz YTJMWCCIVONILQ-UHFFFAOYSA-N 0 1 389.824 3.764 20 5 GHBDMN CC(=O)N[C@H]1CCN(Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000421390604 846206560 /nfs/dbraw/zinc/20/65/60/846206560.db2.gz OGFQFIBRGHGRLN-INIZCTEOSA-N 0 1 389.839 3.751 20 5 GHBDMN O=C([O-])[C@H]1CC[N@@H+](Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000263420115 846211996 /nfs/dbraw/zinc/21/19/96/846211996.db2.gz OQADEPTXRVWRAH-ZDUSSCGKSA-N 0 1 376.796 3.947 20 5 GHBDMN CC(C)c1nnc(-c2ccccc2NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[nH]1 ZINC000119681192 846221486 /nfs/dbraw/zinc/22/14/86/846221486.db2.gz QHGBYNNSZCQIEP-UHFFFAOYSA-N 0 1 396.363 3.664 20 5 GHBDMN CCc1cc(NCCCN2C[C@@H](C)O[C@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000072018803 846236546 /nfs/dbraw/zinc/23/65/46/846236546.db2.gz AYRFMXRHOQRQOP-HZPDHXFCSA-N 0 1 399.495 3.525 20 5 GHBDMN COC(=O)[C@@H](Cc1ccccc1)[C@H](C)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000551719813 846487984 /nfs/dbraw/zinc/48/79/84/846487984.db2.gz KMQNJLSDZOWZKJ-GUYCJALGSA-N 0 1 376.840 3.758 20 5 GHBDMN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)c1C ZINC000135510820 846502106 /nfs/dbraw/zinc/50/21/06/846502106.db2.gz OQFOANODQNDHGF-UHFFFAOYSA-N 0 1 396.375 3.826 20 5 GHBDMN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1CCC[C@H](CC(F)(F)F)C1 ZINC000421976866 846715649 /nfs/dbraw/zinc/71/56/49/846715649.db2.gz XUMMBSGOWMGVFW-LLVKDONJSA-N 0 1 382.342 3.790 20 5 GHBDMN CCSc1ccc(CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1 ZINC000503029832 846725574 /nfs/dbraw/zinc/72/55/74/846725574.db2.gz OGHLDYYKJUZAMR-UHFFFAOYSA-N 0 1 383.433 3.673 20 5 GHBDMN COc1ccccc1[C@@H](CC(C)C)NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000540475073 846745495 /nfs/dbraw/zinc/74/54/95/846745495.db2.gz BUKIXHNEOWSRLH-LJQANCHMSA-N 0 1 397.475 3.870 20 5 GHBDMN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ncc(C(F)(F)F)[nH]1 ZINC000501240924 846751380 /nfs/dbraw/zinc/75/13/80/846751380.db2.gz WHGBJZOOAGNDFU-UHFFFAOYSA-N 0 1 393.119 3.660 20 5 GHBDMN COc1cccc([C@@H]2[C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3C)CCN2C2CC2)c1 ZINC000183245992 846830266 /nfs/dbraw/zinc/83/02/66/846830266.db2.gz DHLGMJCYJFBENO-LEWJYISDSA-N 0 1 395.459 3.620 20 5 GHBDMN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000120085356 846990489 /nfs/dbraw/zinc/99/04/89/846990489.db2.gz NFJAPKNSSYHHKI-AWEZNQCLSA-N 0 1 384.440 3.619 20 5 GHBDMN CC[C@H](NCc1ccc([N+](=O)[O-])cc1F)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000478252112 847023426 /nfs/dbraw/zinc/02/34/26/847023426.db2.gz GZLROZDIYLELLK-PMACEKPBSA-N 0 1 383.427 3.792 20 5 GHBDMN CCc1ccc(C(=O)NCCc2nnc(-c3ccc(Cl)cc3)[nH]2)cc1[N+](=O)[O-] ZINC000511178203 847951239 /nfs/dbraw/zinc/95/12/39/847951239.db2.gz PAVJSKNCVQDLDA-UHFFFAOYSA-N 0 1 399.838 3.568 20 5 GHBDMN Cc1ccc([C@@H](C)N[C@@H](C)C(=O)NCc2ccccc2Cl)cc1[N+](=O)[O-] ZINC000178688432 848546270 /nfs/dbraw/zinc/54/62/70/848546270.db2.gz TYRHVSWDTDAMMP-KGLIPLIRSA-N 0 1 375.856 3.912 20 5 GHBDMN COc1cc(CSc2nc(-c3ccccc3O)n[nH]2)c([N+](=O)[O-])cc1F ZINC000183954762 849835006 /nfs/dbraw/zinc/83/50/06/849835006.db2.gz IHQQXKSLMVNMBX-UHFFFAOYSA-N 0 1 376.369 3.526 20 5 GHBDMN Cc1cccc(COc2ccc([C@H](C)NC(=O)c3n[nH]cc3[N+](=O)[O-])cc2)c1 ZINC000132440233 862066759 /nfs/dbraw/zinc/06/67/59/862066759.db2.gz WJJKSEFSGPWNKQ-AWEZNQCLSA-N 0 1 380.404 3.696 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N2CCc3cc(C(F)(F)F)ccc3C2)c1[N+](=O)[O-] ZINC000600489481 862122047 /nfs/dbraw/zinc/12/20/47/862122047.db2.gz RMBORWIIWZMRMA-UHFFFAOYSA-N 0 1 382.342 3.659 20 5 GHBDMN CCOc1ccc([C@@H](C)N[C@H]2CCCN(c3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000504899242 850403950 /nfs/dbraw/zinc/40/39/50/850403950.db2.gz CPCSQWKKLOPADO-QAPCUYQASA-N 0 1 383.448 3.840 20 5 GHBDMN Cc1ccc(CNCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)c(=O)n1C ZINC000487192077 850550792 /nfs/dbraw/zinc/55/07/92/850550792.db2.gz DPTAQRIVBDRXEB-UHFFFAOYSA-N 0 1 397.406 3.823 20 5 GHBDMN Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)c3cc(C(=O)[O-])ccc3[N+](=O)[O-])C2)s1 ZINC000910377947 851177231 /nfs/dbraw/zinc/17/72/31/851177231.db2.gz AVDBARSMCIBPNC-AWEZNQCLSA-N 0 1 389.477 3.621 20 5 GHBDMN CN(C)CCN(Cc1ccccc1)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000436229153 851343635 /nfs/dbraw/zinc/34/36/35/851343635.db2.gz CYULFNSADWKMSZ-UHFFFAOYSA-N 0 1 399.494 3.885 20 5 GHBDMN CCN(CCc1cccs1)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000488365501 851433583 /nfs/dbraw/zinc/43/35/83/851433583.db2.gz YIZAKDTVORNQCW-CYBMUJFWSA-N 0 1 377.466 3.557 20 5 GHBDMN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC=C(c2cccc(Cl)c2)CC1 ZINC000481788851 862261103 /nfs/dbraw/zinc/26/11/03/862261103.db2.gz VITKFFIGJHXSKM-SFHVURJKSA-N 0 1 388.851 3.777 20 5 GHBDMN COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2ccc(F)cc2[nH]1 ZINC000488940485 851877775 /nfs/dbraw/zinc/87/77/75/851877775.db2.gz OGCODBAZPRVQNT-UHFFFAOYSA-N 0 1 390.396 3.601 20 5 GHBDMN CN(c1ccccc1)c1ccc(C[NH2+]Cc2cc(C(=O)[O-])co2)cc1[N+](=O)[O-] ZINC000426700013 852282907 /nfs/dbraw/zinc/28/29/07/852282907.db2.gz NVRICXLASJMYPN-UHFFFAOYSA-N 0 1 381.388 3.944 20 5 GHBDMN C[C@H]1CCCN(c2ccc(C(=O)Nc3ncc(C(F)(F)F)[nH]3)cc2[N+](=O)[O-])C1 ZINC000506919555 852333521 /nfs/dbraw/zinc/33/35/21/852333521.db2.gz XMIHWHYDORBPSK-JTQLQIEISA-N 0 1 397.357 3.825 20 5 GHBDMN CC[N@@H+](CCC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1)CC(C)C ZINC000436960873 852531753 /nfs/dbraw/zinc/53/17/53/852531753.db2.gz RXOXMQRQNANRMJ-UHFFFAOYSA-N 0 1 377.485 3.521 20 5 GHBDMN CC[C@@H](CNC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1)[N@H+]1CCc2ccccc2C1 ZINC000543886968 852701585 /nfs/dbraw/zinc/70/15/85/852701585.db2.gz XXVHPVFYZCOPQK-SFHVURJKSA-N 0 1 398.463 3.562 20 5 GHBDMN O=C(c1cc(-c2ccc(F)cc2)[nH]n1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437121991 852772887 /nfs/dbraw/zinc/77/28/87/852772887.db2.gz ZICPGNLWBKUKSJ-UHFFFAOYSA-N 0 1 380.379 3.929 20 5 GHBDMN COc1ccc(NC(=O)N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000543891555 852805728 /nfs/dbraw/zinc/80/57/28/852805728.db2.gz VUYKPDBWDXMJTL-CVEARBPZSA-N 0 1 398.463 3.730 20 5 GHBDMN COc1ccc(NC(=O)N2C[C@@H](C)N(Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000543891555 852805734 /nfs/dbraw/zinc/80/57/34/852805734.db2.gz VUYKPDBWDXMJTL-CVEARBPZSA-N 0 1 398.463 3.730 20 5 GHBDMN O=C(Nc1nc(-c2ccccc2Cl)n[nH]1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000507348738 852815218 /nfs/dbraw/zinc/81/52/18/852815218.db2.gz MDICOQZUHHBRNC-UHFFFAOYSA-N 0 1 382.767 3.767 20 5 GHBDMN Cc1ccc(C(=O)N2CCC(c3ncc(C(F)(F)F)[nH]3)CC2)cc1[N+](=O)[O-] ZINC000133938925 852863658 /nfs/dbraw/zinc/86/36/58/852863658.db2.gz FUBVXIGPCDYNEH-UHFFFAOYSA-N 0 1 382.342 3.665 20 5 GHBDMN CN(C)[C@H](CNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc(F)cc1 ZINC000437209975 852866780 /nfs/dbraw/zinc/86/67/80/852866780.db2.gz CAORVJLTPUUXRN-MRXNPFEDSA-N 0 1 399.344 3.785 20 5 GHBDMN COCCN(Cc1cccs1)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000506005446 852920991 /nfs/dbraw/zinc/92/09/91/852920991.db2.gz WQEKPLSPNHNVOZ-UHFFFAOYSA-N 0 1 386.477 3.705 20 5 GHBDMN O=C(CCc1ccc(Cl)s1)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000490365349 852965251 /nfs/dbraw/zinc/96/52/51/852965251.db2.gz KECBJWSPBHRHLT-UHFFFAOYSA-N 0 1 377.813 3.666 20 5 GHBDMN O=[N+]([O-])c1cccc(CN(C[C@H](O)COCc2ccccc2Cl)C2CC2)c1 ZINC000490435306 853028753 /nfs/dbraw/zinc/02/87/53/853028753.db2.gz IXSSWARFKZGDOU-IBGZPJMESA-N 0 1 390.867 3.790 20 5 GHBDMN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000438952369 853124855 /nfs/dbraw/zinc/12/48/55/853124855.db2.gz XOVPPRYMSDCTNL-RHSMWYFYSA-N 0 1 387.867 3.807 20 5 GHBDMN Cc1ccccc1CN1CCCN(C(=O)c2c(C)c(F)ccc2[N+](=O)[O-])CC1 ZINC000843763541 853277672 /nfs/dbraw/zinc/27/76/72/853277672.db2.gz BYTZVGOPVZOLLV-UHFFFAOYSA-N 0 1 385.439 3.699 20 5 GHBDMN COc1ccc(-c2ccc(CN3CCc4cc[nH]c(=O)c4C3)o2)c([N+](=O)[O-])c1 ZINC000426382520 853655366 /nfs/dbraw/zinc/65/53/66/853655366.db2.gz RWQRULGALINXQW-UHFFFAOYSA-N 0 1 381.388 3.522 20 5 GHBDMN Cc1c(NC(=O)c2cc3ccccc3cc2NS(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000732921911 862591031 /nfs/dbraw/zinc/59/10/31/862591031.db2.gz KCGLENARPKMFQC-UHFFFAOYSA-N 0 1 399.428 3.680 20 5 GHBDMN COc1cccc([C@@H]2[C@@H](NC(=O)c3ccc([N+](=O)[O-])c(C)c3)CCN2C2CC2)c1 ZINC000482048389 862639882 /nfs/dbraw/zinc/63/98/82/862639882.db2.gz YJYZRRSLBFFCQE-PZJWPPBQSA-N 0 1 395.459 3.620 20 5 GHBDMN C[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000542714083 855527416 /nfs/dbraw/zinc/52/74/16/855527416.db2.gz PCRPCCYYVXWFOL-LSDHHAIUSA-N 0 1 386.427 3.861 20 5 GHBDMN C[C@@H]1CC[C@H](C(F)(F)F)CN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000590715752 855558942 /nfs/dbraw/zinc/55/89/42/855558942.db2.gz XSAAUFLQAOOIGF-PWSUYJOCSA-N 0 1 382.342 3.788 20 5 GHBDMN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc(-c2ccccc2OC)n[nH]1 ZINC000184704656 855618877 /nfs/dbraw/zinc/61/88/77/855618877.db2.gz PATHICPHWSONBU-AWEZNQCLSA-N 0 1 395.419 3.596 20 5 GHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(OC(F)F)cc2)c(Cl)c1 ZINC000120922824 856037594 /nfs/dbraw/zinc/03/75/94/856037594.db2.gz JKHHVZQNLDXIFP-UHFFFAOYSA-N 0 1 378.740 3.650 20 5 GHBDMN C[C@@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl ZINC000026712329 856216845 /nfs/dbraw/zinc/21/68/45/856216845.db2.gz QIYVUCGXETXWCI-BXUZGUMPSA-N 0 1 385.247 3.992 20 5 GHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000282510603 862797998 /nfs/dbraw/zinc/79/79/98/862797998.db2.gz OJTIWFFBTQEYDQ-CYBMUJFWSA-N 0 1 382.342 3.666 20 5 GHBDMN Cc1cc(N2CC[C@H](C(=O)NCc3ccccc3)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000591983772 856552341 /nfs/dbraw/zinc/55/23/41/856552341.db2.gz AIPGOVIIDFWSKV-KRWDZBQOSA-N 0 1 390.443 3.594 20 5 GHBDMN O=C(NCc1cccnc1Oc1cccc(F)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000427898747 856834258 /nfs/dbraw/zinc/83/42/58/856834258.db2.gz BLTKCJZVJUKZEK-UHFFFAOYSA-N 0 1 383.335 3.557 20 5 GHBDMN Cc1cc(F)cc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c1 ZINC000542927613 856867709 /nfs/dbraw/zinc/86/77/09/856867709.db2.gz MNKSBXCEZIBRRP-UHFFFAOYSA-N 0 1 378.303 3.862 20 5 GHBDMN C[C@@]1(c2ccccc2)CCCN(Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000733299309 862844827 /nfs/dbraw/zinc/84/48/27/862844827.db2.gz NGKMHYIARRCVMU-OAQYLSRUSA-N 0 1 377.448 3.865 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000159604367 862852845 /nfs/dbraw/zinc/85/28/45/862852845.db2.gz YXQRIFSSXFOBRH-OAHLLOKOSA-N 0 1 383.452 3.645 20 5 GHBDMN COc1cccc([C@H]2[C@@H](NC(=O)c3cccc([N+](=O)[O-])c3C)CCN2C2CC2)c1 ZINC000245543470 856947672 /nfs/dbraw/zinc/94/76/72/856947672.db2.gz KTKGYEUBMIORGN-FPOVZHCZSA-N 0 1 395.459 3.620 20 5 GHBDMN COc1ccccc1C[C@@H]1CCCN1Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000058539928 857012914 /nfs/dbraw/zinc/01/29/14/857012914.db2.gz BBUYRRWYEDMMRK-SFHVURJKSA-N 0 1 393.447 3.527 20 5 GHBDMN CCc1ccc(S(=O)(=O)Nc2cnc(C(F)(F)F)cc2C)cc1[N+](=O)[O-] ZINC000592352766 857163429 /nfs/dbraw/zinc/16/34/29/857163429.db2.gz OCMAYYHTTJYTPS-UHFFFAOYSA-N 0 1 389.355 3.680 20 5 GHBDMN CN(C)c1cccc([C@H]2CCCN2Cc2cc([N+](=O)[O-])cc3c2OCOC3)c1 ZINC000173902528 857179029 /nfs/dbraw/zinc/17/90/29/857179029.db2.gz YZWVIPRSVWJALX-HXUWFJFHSA-N 0 1 383.448 3.864 20 5 GHBDMN Cc1nc2ccccc2nc1CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174247634 857235243 /nfs/dbraw/zinc/23/52/43/857235243.db2.gz IMHSUHMZOHVJOD-UHFFFAOYSA-N 0 1 378.432 3.890 20 5 GHBDMN O=C(NC[C@@H]1CCCN(C/C=C\c2ccccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000255236707 857610666 /nfs/dbraw/zinc/61/06/66/857610666.db2.gz LMSLTNKXDHLWOA-IKPBFSQCSA-N 0 1 379.460 3.750 20 5 GHBDMN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000524866570 857934203 /nfs/dbraw/zinc/93/42/03/857934203.db2.gz DFIBQHILWXYNLA-HNNXBMFYSA-N 0 1 387.867 3.985 20 5 GHBDMN CCc1csc(CC2CCN(C(=O)c3n[nH]c(C(C)C)c3[N+](=O)[O-])CC2)n1 ZINC000594398605 858130192 /nfs/dbraw/zinc/13/01/92/858130192.db2.gz PQOVGXGIOHPSGH-UHFFFAOYSA-N 0 1 391.497 3.555 20 5 GHBDMN Cc1cnc(OC2CCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)nc1 ZINC000594614352 858242484 /nfs/dbraw/zinc/24/24/84/858242484.db2.gz VJVFXKMSUDTXCY-UHFFFAOYSA-N 0 1 394.431 3.997 20 5 GHBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCc1cccc(Cl)c1Cl ZINC000521772677 858298052 /nfs/dbraw/zinc/29/80/52/858298052.db2.gz KJDDSMQWYGRXLK-UHFFFAOYSA-N 0 1 379.196 3.519 20 5 GHBDMN O=C1N(CCN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C[C@@H]2CCCCN12 ZINC000595105851 858406336 /nfs/dbraw/zinc/40/63/36/858406336.db2.gz TTYCJLGBXMZARZ-SFTDATJTSA-N 0 1 394.475 3.564 20 5 GHBDMN Cc1ccc([C@@H](C)NC(=O)NC[C@H]2CCN2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000595544166 858561449 /nfs/dbraw/zinc/56/14/49/858561449.db2.gz MUNGBVNLFPGDCA-VQIMIIECSA-N 0 1 382.464 3.538 20 5 GHBDMN COC(=O)c1cnc([C@H]2CCCN([C@@H](C)c3cccc([N+](=O)[O-])c3)C2)s1 ZINC000595913238 858718284 /nfs/dbraw/zinc/71/82/84/858718284.db2.gz FQQDCIFPGJYCJE-JSGCOSHPSA-N 0 1 375.450 3.779 20 5 GHBDMN COc1ccc(CC(=O)N2CCC[C@H]2c2nc3ccc(C)cc3[nH]2)cc1[N+](=O)[O-] ZINC000067822080 858770506 /nfs/dbraw/zinc/77/05/06/858770506.db2.gz XLCKXWMURQXDDF-KRWDZBQOSA-N 0 1 394.431 3.694 20 5 GHBDMN O=C1[C@H](NCc2cccc([N+](=O)[O-])c2)CCN1c1ccccc1C(F)(F)F ZINC000184996523 858815661 /nfs/dbraw/zinc/81/56/61/858815661.db2.gz VZFYGYLNZYLXTR-OAHLLOKOSA-N 0 1 379.338 3.509 20 5 GHBDMN COc1cc(NC2CCN(Cc3cccnc3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596210388 858816388 /nfs/dbraw/zinc/81/63/88/858816388.db2.gz IGUQVPSEBQNEPM-UHFFFAOYSA-N 0 1 376.844 3.728 20 5 GHBDMN COc1ccc(C[C@H](C)N2CCC(NC(=O)OC(C)(C)C)CC2)c([N+](=O)[O-])c1 ZINC001170328700 881365933 /nfs/dbraw/zinc/36/59/33/881365933.db2.gz LNKSWORFSVSIIV-AWEZNQCLSA-N 0 1 393.484 3.524 20 5 GHBDMN CCSc1ccccc1[C@H](C)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000544569444 858999647 /nfs/dbraw/zinc/99/96/47/858999647.db2.gz DYOPBGVPBUEUEY-AWEZNQCLSA-N 0 1 394.518 3.831 20 5 GHBDMN CC(C)(C)c1ccc(CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000543619511 859034387 /nfs/dbraw/zinc/03/43/87/859034387.db2.gz BQFSWGGWNAJQSA-UHFFFAOYSA-N 0 1 382.507 3.517 20 5 GHBDMN Cc1cc(S(=O)(=O)Nc2ccc(-c3nccs3)cc2)ccc1[N+](=O)[O-] ZINC000522357734 859176937 /nfs/dbraw/zinc/17/69/37/859176937.db2.gz FIGLHKWGZKANCA-UHFFFAOYSA-N 0 1 375.431 3.828 20 5 GHBDMN Cc1c(CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])oc2ccccc12 ZINC000522375872 859255894 /nfs/dbraw/zinc/25/58/94/859255894.db2.gz CTCQKPNRNGNXTR-UHFFFAOYSA-N 0 1 380.809 3.781 20 5 GHBDMN COCCN(Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])[C@H]1CC[C@@H](C)C1 ZINC000483409295 859344700 /nfs/dbraw/zinc/34/47/00/859344700.db2.gz ARCBBCKQJORWPW-OCCSQVGLSA-N 0 1 388.411 3.842 20 5 GHBDMN COC(=O)c1cnc([C@@H]2CCCN(Cc3ccc([N+](=O)[O-])cc3C)C2)s1 ZINC000597253141 859398866 /nfs/dbraw/zinc/39/88/66/859398866.db2.gz KGOVNURPWNXRQX-CQSZACIVSA-N 0 1 375.450 3.526 20 5 GHBDMN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1N1CCN(C)CC1 ZINC000764974530 859704425 /nfs/dbraw/zinc/70/44/25/859704425.db2.gz DWALDOYTPYPMGS-GOSISDBHSA-N 0 1 396.491 3.554 20 5 GHBDMN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1COc2c1cccc2Cl ZINC000611336853 859711927 /nfs/dbraw/zinc/71/19/27/859711927.db2.gz SZTNSAQTCQZGIO-BDJLRTHQSA-N 0 1 375.812 3.689 20 5 GHBDMN Cc1cccc(N2CCN(CCC(=O)Nc3c(C)ccc([N+](=O)[O-])c3C)CC2)c1 ZINC000597665755 859714228 /nfs/dbraw/zinc/71/42/28/859714228.db2.gz FXDLUJSFDWORFL-UHFFFAOYSA-N 0 1 396.491 3.671 20 5 GHBDMN O=C(N[C@H]1CCCc2cn(C3CCCC3)nc21)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000611555540 859804162 /nfs/dbraw/zinc/80/41/62/859804162.db2.gz HXEXCAZHKNZAHH-KRWDZBQOSA-N 0 1 394.435 3.590 20 5 GHBDMN O=[N+]([O-])c1ccc(Br)cc1NCc1nc(-c2ccc(F)cc2)n[nH]1 ZINC000765487405 859994251 /nfs/dbraw/zinc/99/42/51/859994251.db2.gz AMVPNPRDQBCHDD-UHFFFAOYSA-N 0 1 392.188 3.894 20 5 GHBDMN O=[N+]([O-])c1ccc(Br)cc1NCc1n[nH]c(-c2ccc(F)cc2)n1 ZINC000765487405 859994257 /nfs/dbraw/zinc/99/42/57/859994257.db2.gz AMVPNPRDQBCHDD-UHFFFAOYSA-N 0 1 392.188 3.894 20 5 GHBDMN Cc1c([C@H](C)NCc2cccc(C(=O)NC[C@@H]3CCCO3)c2)cccc1[N+](=O)[O-] ZINC000154234844 860029534 /nfs/dbraw/zinc/02/95/34/860029534.db2.gz JWSCCOFSNPSBBD-LPHOPBHVSA-N 0 1 397.475 3.663 20 5 GHBDMN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1cc(F)cc(Cl)c1O ZINC000474423704 860044701 /nfs/dbraw/zinc/04/47/01/860044701.db2.gz BCONRRGUDJXRQF-UHFFFAOYSA-N 0 1 391.742 3.659 20 5 GHBDMN COC(=O)[C@@H](C)Oc1ccc(CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000154297717 860053668 /nfs/dbraw/zinc/05/36/68/860053668.db2.gz HYFVQDZFNYORDM-OAHLLOKOSA-N 0 1 384.432 3.700 20 5 GHBDMN O=[N+]([O-])c1ccc2oc(CNc3ccccc3CN3CCSCC3)nc2c1 ZINC000602489669 860056246 /nfs/dbraw/zinc/05/62/46/860056246.db2.gz DCGUQCMPJWATCH-UHFFFAOYSA-N 0 1 384.461 3.897 20 5 GHBDMN COc1cc(CN2CCC(c3nc4ccccc4[nH]3)CC2)c([N+](=O)[O-])cc1OC ZINC000123904689 860141730 /nfs/dbraw/zinc/14/17/30/860141730.db2.gz CBVZMCBGOQHGNG-UHFFFAOYSA-N 0 1 396.447 3.868 20 5 GHBDMN CCc1[nH]nc(C(=O)N2C[C@@H](c3cccc(Cl)c3)OCC2(C)C)c1[N+](=O)[O-] ZINC000598232411 860157372 /nfs/dbraw/zinc/15/73/72/860157372.db2.gz XNIQQLAHRAJGNR-AWEZNQCLSA-N 0 1 392.843 3.526 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(Br)c(F)c1 ZINC000093928946 860377098 /nfs/dbraw/zinc/37/70/98/860377098.db2.gz KDWZFFROKKHAIC-UHFFFAOYSA-N 0 1 389.202 3.606 20 5 GHBDMN COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000093931015 860378041 /nfs/dbraw/zinc/37/80/41/860378041.db2.gz VKUTYFIXDRCUNV-UHFFFAOYSA-N 0 1 390.339 3.561 20 5 GHBDMN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1CC2(CCC2)[C@H]1c1ccncc1 ZINC000598572037 860415826 /nfs/dbraw/zinc/41/58/26/860415826.db2.gz JGXPJODATFYLPO-LJQANCHMSA-N 0 1 389.415 3.747 20 5 GHBDMN O=[N+]([O-])c1cc(F)c(CN2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)c(F)c1 ZINC000508992810 860458572 /nfs/dbraw/zinc/45/85/72/860458572.db2.gz WGOAAHAKHNTMDS-QGZVFWFLSA-N 0 1 385.374 3.995 20 5 GHBDMN O=[N+]([O-])c1cc(F)c(CN2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)c(F)c1 ZINC000508992810 860458691 /nfs/dbraw/zinc/45/86/91/860458691.db2.gz WGOAAHAKHNTMDS-QGZVFWFLSA-N 0 1 385.374 3.995 20 5 GHBDMN COc1cc(S(=O)(=O)Nc2cc(-c3ccncc3)ccc2C)ccc1[N+](=O)[O-] ZINC000124845513 860514613 /nfs/dbraw/zinc/51/46/13/860514613.db2.gz WFBKXVSHMDHFPE-UHFFFAOYSA-N 0 1 399.428 3.775 20 5 GHBDMN O=[N+]([O-])c1cccc2ncnc(N3CCCN(Cc4ccc(Cl)cc4)CC3)c21 ZINC000509051498 860697353 /nfs/dbraw/zinc/69/73/53/860697353.db2.gz GTYVOYVPDKTIAS-UHFFFAOYSA-N 0 1 397.866 3.904 20 5 GHBDMN C[C@@H](N[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1COc2ccccc21 ZINC000185594276 860778252 /nfs/dbraw/zinc/77/82/52/860778252.db2.gz VPCBJAPGZJGVLQ-IGCXYCKISA-N 0 1 380.404 3.860 20 5 GHBDMN COc1cccc([C@H](CNC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)N2CCCC2)c1 ZINC000603643381 860944147 /nfs/dbraw/zinc/94/41/47/860944147.db2.gz BBPFXDRRAMIAGW-FQEVSTJZSA-N 0 1 398.463 3.870 20 5 GHBDMN CNC(=O)c1ccc(N2CCC[C@H](c3nc4ccc(C)cc4[nH]3)C2)c([N+](=O)[O-])c1 ZINC000302036489 861180233 /nfs/dbraw/zinc/18/02/33/861180233.db2.gz FSRLUISRNVOZRS-HNNXBMFYSA-N 0 1 393.447 3.523 20 5 GHBDMN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444004937 863132753 /nfs/dbraw/zinc/13/27/53/863132753.db2.gz TXFVMESGSYGDBA-HUUCEWRRSA-N 0 1 395.478 3.813 20 5 GHBDMN CCO[C@@H]1C[C@@H](NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)[C@H]1OC ZINC000482519170 863251078 /nfs/dbraw/zinc/25/10/78/863251078.db2.gz PEEOSNMQZUPZER-NSISKUIASA-N 0 1 390.411 3.808 20 5 GHBDMN CCc1[nH]nc(C(=O)N(CC)[C@H](Cc2ccc(F)cc2)C(C)C)c1[N+](=O)[O-] ZINC000444292488 863813470 /nfs/dbraw/zinc/81/34/70/863813470.db2.gz NNBQQHIWCHPHKB-MRXNPFEDSA-N 0 1 376.432 3.749 20 5 GHBDMN O=C(OC(COc1ccccc1)COc1ccccc1)c1ccc([N+](=O)[O-])[nH]1 ZINC000920124454 881717227 /nfs/dbraw/zinc/71/72/27/881717227.db2.gz MVAMPJFWTDFIAL-UHFFFAOYSA-N 0 1 382.372 3.606 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(Cc2ccccc2)C(C)(C)C1 ZINC000609204289 881723188 /nfs/dbraw/zinc/72/31/88/881723188.db2.gz DCOXAKJJNFSDCB-UHFFFAOYSA-N 0 1 398.463 3.732 20 5 GHBDMN C[C@H]1C[C@H](c2ccc(F)cc2)CN1Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000172905114 864105070 /nfs/dbraw/zinc/10/50/70/864105070.db2.gz DCZQPHKYNICZLB-YOEHRIQHSA-N 0 1 381.411 3.828 20 5 GHBDMN CCc1[nH]nc(C(=O)N2CCc3ccccc3[C@H]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000444322318 864226128 /nfs/dbraw/zinc/22/61/28/864226128.db2.gz VCZZSOUVNBTMEK-LJQANCHMSA-N 0 1 390.443 3.863 20 5 GHBDMN C[C@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1nc(-c2ccccc2)cs1 ZINC000184538872 864647770 /nfs/dbraw/zinc/64/77/70/864647770.db2.gz NRCOLNKBPCRSQS-GOEBONIOSA-N 0 1 399.472 3.809 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2ncn(CN3CC[C@H](CSc4ccccc4)C3)n2)c1 ZINC000173402943 864715002 /nfs/dbraw/zinc/71/50/02/864715002.db2.gz VIYQSZSXMCXLIK-INIZCTEOSA-N 0 1 395.488 3.925 20 5 GHBDMN Cc1cc(Br)cn2c(CNCc3cccc([N+](=O)[O-])c3C)cnc12 ZINC000480486959 864744558 /nfs/dbraw/zinc/74/45/58/864744558.db2.gz LNJXIQAGKCFCJA-UHFFFAOYSA-N 0 1 389.253 3.912 20 5 GHBDMN CN(C(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475322806 864801361 /nfs/dbraw/zinc/80/13/61/864801361.db2.gz SLELYZKRASLZSS-SFHVURJKSA-N 0 1 379.416 3.688 20 5 GHBDMN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1ccccc1N1CCCC1 ZINC000481066387 865772009 /nfs/dbraw/zinc/77/20/09/865772009.db2.gz BLAPLRSPGOUCNI-UHFFFAOYSA-N 0 1 375.450 3.613 20 5 GHBDMN COC(=O)COc1ccc(CN2CCC(c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000475562731 866303522 /nfs/dbraw/zinc/30/35/22/866303522.db2.gz GYBXCPQJQYGEFR-UHFFFAOYSA-N 0 1 384.432 3.526 20 5 GHBDMN O=C(NCC1(c2ccc(C(F)(F)F)cc2)CC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000444535745 866873428 /nfs/dbraw/zinc/87/34/28/866873428.db2.gz WFVUVKCFGOGIOL-UHFFFAOYSA-N 0 1 380.322 3.781 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N2CCC(Cc3cccc(F)c3F)CC2)c1[N+](=O)[O-] ZINC000456807135 867201857 /nfs/dbraw/zinc/20/18/57/867201857.db2.gz GMODOGFQCBFBFQ-UHFFFAOYSA-N 0 1 392.406 3.814 20 5 GHBDMN CC(C)N(Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@@H](O)COc1ccccc1 ZINC000444810186 867240980 /nfs/dbraw/zinc/24/09/80/867240980.db2.gz ZRJSEKDAIGPNPX-QGZVFWFLSA-N 0 1 378.856 3.899 20 5 GHBDMN Cc1ccc(S(=O)(=O)N[C@](C)(c2ccccc2)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000479156635 867256613 /nfs/dbraw/zinc/25/66/13/867256613.db2.gz OFEXLUBFOUNULT-OAHLLOKOSA-N 0 1 388.367 3.659 20 5 GHBDMN C[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1cccc(OC(F)(F)F)c1 ZINC000440794748 868610916 /nfs/dbraw/zinc/61/09/16/868610916.db2.gz RUDJDFZXMJIAQC-VIFPVBQESA-N 0 1 394.309 3.861 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(Cc2noc(-c3cc(-c4ccc(C)o4)n[nH]3)n2)c1 ZINC000445576590 868691583 /nfs/dbraw/zinc/69/15/83/868691583.db2.gz KLMBAIVIEJKYDU-UHFFFAOYSA-N 0 1 381.348 3.536 20 5 GHBDMN CC(C)(C)OC(=O)N1CC[C@@]2(CCN(C/C=C\c3ccccc3[N+](=O)[O-])C2)C1 ZINC000793604206 882306379 /nfs/dbraw/zinc/30/63/79/882306379.db2.gz ITUMFKSLTIAVRG-RFFSMVSESA-N 0 1 387.480 3.941 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCc1ccc(F)cc1F ZINC000462514707 869590120 /nfs/dbraw/zinc/59/01/20/869590120.db2.gz AVUWYZBETWWJQM-UHFFFAOYSA-N 0 1 397.186 3.658 20 5 GHBDMN CCCN(C(=O)c1n[nH]c(C)c1[N+](=O)[O-])[C@H]1C[C@H](OCC)C12CCCCC2 ZINC000525083452 869974171 /nfs/dbraw/zinc/97/41/71/869974171.db2.gz HUXNFGIRQKHYOO-GJZGRUSLSA-N 0 1 378.473 3.606 20 5 GHBDMN O=[N+]([O-])c1ccc(N2CCN(CCc3cccs3)CC2)cc1OC(F)F ZINC000462791666 870089545 /nfs/dbraw/zinc/08/95/45/870089545.db2.gz ZKVAVMITQCTJMG-UHFFFAOYSA-N 0 1 383.420 3.622 20 5 GHBDMN COc1cc(CNCCC(F)(F)F)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000525195349 870146716 /nfs/dbraw/zinc/14/67/16/870146716.db2.gz IPAATJMHGSXRBL-UHFFFAOYSA-N 0 1 376.253 3.587 20 5 GHBDMN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000462922296 870454318 /nfs/dbraw/zinc/45/43/18/870454318.db2.gz BSCHQDUWJNUNAG-JXFKEZNVSA-N 0 1 387.455 3.722 20 5 GHBDMN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCOc2c(F)ccc(F)c21 ZINC000462941846 870467121 /nfs/dbraw/zinc/46/71/21/870467121.db2.gz KEQCBNNAKJSPFP-MEDUHNTESA-N 0 1 391.374 3.704 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000540142986 870592071 /nfs/dbraw/zinc/59/20/71/870592071.db2.gz BCSFSUFGNSAXES-FOPRYUNUSA-N 0 1 389.402 3.804 20 5 GHBDMN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N=c1[nH][nH]c(-c2ccc(C)o2)c1C ZINC000463104133 870929687 /nfs/dbraw/zinc/92/96/87/870929687.db2.gz GRUNUNVQAYJKEC-OAHLLOKOSA-N 0 1 382.420 3.824 20 5 GHBDMN CCOc1ccccc1[C@@H](CC)N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000540351751 871045594 /nfs/dbraw/zinc/04/55/94/871045594.db2.gz MOPAXWPSNCEKRR-MOPGFXCFSA-N 0 1 383.448 3.840 20 5 GHBDMN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@H](CC(F)(F)F)c2ccccc2)c1 ZINC000540380712 871175752 /nfs/dbraw/zinc/17/57/52/871175752.db2.gz PGRSSLNHPUISGD-NVXWUHKLSA-N 0 1 384.354 3.618 20 5 GHBDMN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@@H](CC(F)(F)F)c2ccccc2)c1 ZINC000540380714 871176027 /nfs/dbraw/zinc/17/60/27/871176027.db2.gz PGRSSLNHPUISGD-WBVHZDCISA-N 0 1 384.354 3.618 20 5 GHBDMN Cc1ccc([C@H](C)NC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000462204238 871806780 /nfs/dbraw/zinc/80/67/80/871806780.db2.gz PZIWCHHPHNXQFC-ABSDTBQOSA-N 0 1 396.491 3.784 20 5 GHBDMN COc1ccccc1[C@H](CC(C)C)NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000539381295 871862178 /nfs/dbraw/zinc/86/21/78/871862178.db2.gz QSTRCSLUMDZEOQ-IBGZPJMESA-N 0 1 385.464 3.943 20 5 GHBDMN O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1cccc([O-])c1[N+](=O)[O-] ZINC000539383115 871868066 /nfs/dbraw/zinc/86/80/66/871868066.db2.gz XPMXDNUHAOBFRX-INIZCTEOSA-N 0 1 389.839 3.521 20 5 GHBDMN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000182165584 871938799 /nfs/dbraw/zinc/93/87/99/871938799.db2.gz DBTBELWRUYPTRC-UGKGYDQZSA-N 0 1 396.418 3.853 20 5 GHBDMN COC(=O)[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)[C@H]2CCCC[C@@H]12 ZINC001195902989 872744931 /nfs/dbraw/zinc/74/49/31/872744931.db2.gz QMHXPPINQMYEBI-OTWHNJEPSA-N 0 1 390.480 3.936 20 5 GHBDMN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1ccccc1Nc1ccncc1 ZINC000619581611 872769228 /nfs/dbraw/zinc/76/92/28/872769228.db2.gz KUIPPQONVUUIHE-UHFFFAOYSA-N 0 1 382.807 3.990 20 5 GHBDMN COC(=O)COc1ccc([C@@H](C)NCc2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000767875083 872928579 /nfs/dbraw/zinc/92/85/79/872928579.db2.gz JLCNPDIUIPNPDF-GFCCVEGCSA-N 0 1 378.812 3.651 20 5 GHBDMN CC(C)N(CCn1ccc([N+](=O)[O-])n1)Cc1cc(Br)ccc1F ZINC000478415075 872969989 /nfs/dbraw/zinc/96/99/89/872969989.db2.gz IWYLTKSHRBQQLA-UHFFFAOYSA-N 0 1 385.237 3.604 20 5 GHBDMN COc1cc(CN[C@@H]2C[C@H]3CC[C@@H]2O3)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000152991687 873397105 /nfs/dbraw/zinc/39/71/05/873397105.db2.gz ZVBPWCLMERDUDE-LMMKCTJWSA-N 0 1 384.432 3.592 20 5 GHBDMN CC(C)COC(=O)Nc1cccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000768879948 873643258 /nfs/dbraw/zinc/64/32/58/873643258.db2.gz BQFISMKDZXKITK-UHFFFAOYSA-N 0 1 399.450 3.662 20 5 GHBDMN C[C@@H]1CCC[N@@H+](Cc2ccc([N-]S(=O)(=O)c3csc([N+](=O)[O-])c3)cc2)C1 ZINC000768865396 873667807 /nfs/dbraw/zinc/66/78/07/873667807.db2.gz AFIAPFCTSWSLBE-CYBMUJFWSA-N 0 1 395.506 3.689 20 5 GHBDMN C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000775771740 873757798 /nfs/dbraw/zinc/75/77/98/873757798.db2.gz BEXKQMDFRFMMRN-CQSZACIVSA-N 0 1 390.871 3.568 20 5 GHBDMN Cc1nc(C)c([C@H](C)N(C)C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)s1 ZINC000448929853 874220241 /nfs/dbraw/zinc/22/02/41/874220241.db2.gz 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CCOc1cc(CN(C)[C@@H](C)c2ccc(-n3cncn3)cc2)ccc1[N+](=O)[O-] ZINC000492530973 877013230 /nfs/dbraw/zinc/01/32/30/877013230.db2.gz FGZSFSNDXUNRGO-HNNXBMFYSA-N 0 1 381.436 3.767 20 5 GHBDMN O=[N+]([O-])c1cc(COc2ccccc2-c2nnc[nH]2)ccc1Br ZINC000786894473 877013640 /nfs/dbraw/zinc/01/36/40/877013640.db2.gz WCRCZBXLWYZDCP-UHFFFAOYSA-N 0 1 375.182 3.721 20 5 GHBDMN CCOc1cc(CN2CCC[C@H](CNC(=O)c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000492660561 877316593 /nfs/dbraw/zinc/31/65/93/877316593.db2.gz YEOBJTTUIKHINY-GOSISDBHSA-N 0 1 397.475 3.636 20 5 GHBDMN CC(C)(C(=O)N[C@H]1CCCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000610060287 877342954 /nfs/dbraw/zinc/34/29/54/877342954.db2.gz OTUGKDMNUMZRLQ-IBGZPJMESA-N 0 1 381.476 3.653 20 5 GHBDMN CCN(C)[C@@H](C(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000610070082 877364680 /nfs/dbraw/zinc/36/46/80/877364680.db2.gz SLIJONUDXHOHEC-HXUWFJFHSA-N 0 1 384.480 3.514 20 5 GHBDMN CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@@](C)(COC)C2)cc1OC ZINC000451203000 877570970 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CC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000130410098 897079264 /nfs/dbraw/zinc/07/92/64/897079264.db2.gz FSFQTXWLMKRDEB-UHFFFAOYSA-N 0 1 389.216 3.905 20 5 GHBDMN COC(=O)/C=C/c1ccc(N[C@@H]2CCN(C)[C@@H]2c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC001185818881 914128024 /nfs/dbraw/zinc/12/80/24/914128024.db2.gz FFJOAICZYFGVKO-ACLJYUFQSA-N 0 1 399.422 3.777 20 5 GHBDMN O=C(COc1ccccc1[N+](=O)[O-])Nc1nc(-c2cccc3ccccc32)n[nH]1 ZINC000042777674 897853882 /nfs/dbraw/zinc/85/38/82/897853882.db2.gz OXHHSETWJDVELP-UHFFFAOYSA-N 0 1 389.371 3.551 20 5 GHBDMN COc1ccc(CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[C@@H](C)C2CC2)cc1 ZINC000568814911 898126182 /nfs/dbraw/zinc/12/61/82/898126182.db2.gz ZUZTVNSKYWLZCV-ZDUSSCGKSA-N 0 1 394.431 3.921 20 5 GHBDMN C[C@H](Sc1nnc(C(C)(C)C)[nH]1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000012256934 898871670 /nfs/dbraw/zinc/87/16/70/898871670.db2.gz MIYUMOFLZSWFOB-QMMMGPOBSA-N 0 1 383.861 3.783 20 5 GHBDMN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N(CCc1ccc(F)cc1)C1CC1 ZINC001136745279 899100130 /nfs/dbraw/zinc/10/01/30/899100130.db2.gz RSSRUQOYNVFLMS-UHFFFAOYSA-N 0 1 394.406 3.971 20 5 GHBDMN CC1(C)CCCN(CCNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000570588972 899412464 /nfs/dbraw/zinc/41/24/64/899412464.db2.gz YNFNDSOPUOSQIB-UHFFFAOYSA-N 0 1 377.488 3.533 20 5 GHBDMN O=C(Nc1ccccc1O)C1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000121367943 900011623 /nfs/dbraw/zinc/01/16/23/900011623.db2.gz SLFBPBNNGFUOJI-FNORWQNLSA-N 0 1 381.432 3.664 20 5 GHBDMN C[C@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000844207240 900602210 /nfs/dbraw/zinc/60/22/10/900602210.db2.gz DKQWJBNQLGCEGO-TZCIALRTSA-N 0 1 381.432 3.940 20 5 GHBDMN Cn1ccnc1[C@H](NC[C@]1(C)CCOC2(CCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000886776532 901267403 /nfs/dbraw/zinc/26/74/03/901267403.db2.gz JEDQMEMHMLVELT-UYAOXDASSA-N 0 1 384.480 3.747 20 5 GHBDMN COc1cc(CN2C[C@H]3[C@@H](C2)C3(F)F)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000846110240 902687324 /nfs/dbraw/zinc/68/73/24/902687324.db2.gz ILUNXNJEAUHYAZ-CALCHBBNSA-N 0 1 390.386 3.879 20 5 GHBDMN Cc1cc(C[C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)n[nH]1 ZINC000159263446 902788716 /nfs/dbraw/zinc/78/87/16/902788716.db2.gz OXDNRTJMAUKQBT-GFCCVEGCSA-N 0 1 376.482 3.735 20 5 GHBDMN O=C([O-])CC[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C1CCOCC1 ZINC000577730012 903133968 /nfs/dbraw/zinc/13/39/68/903133968.db2.gz GXWNFENGNMOTGR-UHFFFAOYSA-N 0 1 390.461 3.779 20 5 GHBDMN C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000826584896 903819292 /nfs/dbraw/zinc/81/92/92/903819292.db2.gz JMYTXXQIBNXRNS-OAHLLOKOSA-N 0 1 387.867 3.985 20 5 GHBDMN CCOc1ccc([C@H](C)N[C@@H]2CCN(c3ccc(C)cc3)C2=O)cc1[N+](=O)[O-] ZINC000773015867 904377855 /nfs/dbraw/zinc/37/78/55/904377855.db2.gz OULJDXGSYHFOJF-MAUKXSAKSA-N 0 1 383.448 3.758 20 5 GHBDMN C[C@H]1c2cccn2CCN1C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173014879 906092188 /nfs/dbraw/zinc/09/21/88/906092188.db2.gz DDCYAJPCZOUFRH-ZDUSSCGKSA-N 0 1 376.407 3.720 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C[C@H](C)n2c(CN)ncc2-c2ccccc2)c1F ZINC001173177412 906255430 /nfs/dbraw/zinc/25/54/30/906255430.db2.gz BKHAQSICYRBTMB-ZDUSSCGKSA-N 0 1 384.411 3.868 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C[C@H](C)N(C)Cc2cccc3c2OCO3)c1F ZINC001173191970 906275960 /nfs/dbraw/zinc/27/59/60/906275960.db2.gz GULQXSNGTAMADA-LBPRGKRZSA-N 0 1 376.384 3.534 20 5 GHBDMN CN1CCN(c2cccc(Nc3c(N)c4cccnc4c4ncccc43)c2)CC1 ZINC001212716029 906350298 /nfs/dbraw/zinc/35/02/98/906350298.db2.gz SCQQHLAMLXOTNN-UHFFFAOYSA-N 0 1 384.487 3.861 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000179769087 906592149 /nfs/dbraw/zinc/59/21/49/906592149.db2.gz AODLBDULQLHPCN-AWEZNQCLSA-N 0 1 396.447 3.541 20 5 GHBDMN C[C@H](C(=O)OCc1ccc(Br)c([N+](=O)[O-])c1)N1[C@H](C)CC[C@@H]1C ZINC000773440366 907358348 /nfs/dbraw/zinc/35/83/48/907358348.db2.gz KEHHHVGLWVJOAF-GRYCIOLGSA-N 0 1 385.258 3.662 20 5 GHBDMN C[C@H](N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000192056547 907380026 /nfs/dbraw/zinc/38/00/26/907380026.db2.gz RVJPLWMBBMIJIK-UYHISHBKSA-N 0 1 389.839 3.695 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1CC2(CCC2)Oc2ccccc21 ZINC001176044475 907865029 /nfs/dbraw/zinc/86/50/29/907865029.db2.gz LXMZGEODGLXDIU-GOSISDBHSA-N 0 1 381.432 3.878 20 5 GHBDMN Cc1ccc(C)c(C2CCN(CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)CC2)c1 ZINC001176804619 908260931 /nfs/dbraw/zinc/26/09/31/908260931.db2.gz SIFASASODCDIHP-UHFFFAOYSA-N 0 1 393.487 3.980 20 5 GHBDMN CC(C)c1cc([C@H]2CCCN(C(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)C2)n[nH]1 ZINC001177057471 908386025 /nfs/dbraw/zinc/38/60/25/908386025.db2.gz FCXKOUQWBJLSOT-ZDUSSCGKSA-N 0 1 381.436 3.942 20 5 GHBDMN CC(C)c1ccc(C(=O)Nc2ccccc2CN2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000190355158 908475285 /nfs/dbraw/zinc/47/52/85/908475285.db2.gz JYYRQPXUOLAXOU-UHFFFAOYSA-N 0 1 397.475 3.927 20 5 GHBDMN COc1ccc(NC(=O)[C@H](C)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(OC)c1 ZINC000267652189 909575086 /nfs/dbraw/zinc/57/50/86/909575086.db2.gz MEEFEWBRGJFNGX-KGLIPLIRSA-N 0 1 387.436 3.598 20 5 GHBDMN Cc1cccc(C(=O)N2CCC(c3nnc(-c4ccccc4)[nH]3)CC2)c1[N+](=O)[O-] ZINC000299613704 921510511 /nfs/dbraw/zinc/51/05/11/921510511.db2.gz GXRSVOXWWXONMY-UHFFFAOYSA-N 0 1 391.431 3.708 20 5 GHBDMN O=[N+]([O-])c1ccc(N[C@@H]2CCN(C[C@H](O)c3ccc(Cl)cc3Cl)C2)nc1 ZINC000245631633 909781955 /nfs/dbraw/zinc/78/19/55/909781955.db2.gz ICIFXDAMLBMDQY-WBMJQRKESA-N 0 1 397.262 3.516 20 5 GHBDMN O=C([O-])[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000901787739 921565075 /nfs/dbraw/zinc/56/50/75/921565075.db2.gz RGSULCKWWQFFAB-INIZCTEOSA-N 0 1 384.310 3.694 20 5 GHBDMN O=C1[C@H](N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCCN1Cc1ccccc1 ZINC000774264875 911588116 /nfs/dbraw/zinc/58/81/16/911588116.db2.gz CMBGBLHOSOWXKI-LEWJYISDSA-N 0 1 379.460 3.753 20 5 GHBDMN CN(C1CN(C(=O)CCc2c3ccccc3cc3ccccc32)C1)[C@H]1CCOC1 ZINC001182413018 911626769 /nfs/dbraw/zinc/62/67/69/911626769.db2.gz LKEOJYIVLHCULW-FQEVSTJZSA-N 0 1 388.511 3.857 20 5 GHBDMN CC(C)(CNC(=O)c1cc([N+](=O)[O-])ccc1Cl)N1CCc2ccccc2C1 ZINC000248209743 911865323 /nfs/dbraw/zinc/86/53/23/911865323.db2.gz CPWUERWLMODPFV-UHFFFAOYSA-N 0 1 387.867 3.815 20 5 GHBDMN CC[C@H](NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1OC ZINC000775069976 914957656 /nfs/dbraw/zinc/95/76/56/914957656.db2.gz USCIJKZGRQQAPD-HNNXBMFYSA-N 0 1 377.828 3.936 20 5 GHBDMN O=[N+]([O-])c1ccc(NS(=O)(=O)Cc2ccc(F)c(Cl)c2)cc1Cl ZINC000775071892 914962258 /nfs/dbraw/zinc/96/22/58/914962258.db2.gz RBVWKQBYBFWQFX-UHFFFAOYSA-N 0 1 379.196 3.983 20 5 GHBDMN Cc1ccc(C[C@H](C)NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)s1 ZINC001187109882 915015199 /nfs/dbraw/zinc/01/51/99/915015199.db2.gz FJMZZKZODXZXHJ-QMMMGPOBSA-N 0 1 392.861 3.667 20 5 GHBDMN C[C@H](CO)[C@H](C)N[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000295800817 917508538 /nfs/dbraw/zinc/50/85/38/917508538.db2.gz SLTMXOVHJSXCEM-VBHSOAQHSA-N 0 1 391.855 3.535 20 5 GHBDMN CCS(=O)(=O)c1ccc([C@@H](C)N[C@@H](C)c2cc(OC)cc([N+](=O)[O-])c2)cc1 ZINC000903166065 922824272 /nfs/dbraw/zinc/82/42/72/922824272.db2.gz QCWFDTOVTFBBHD-KGLIPLIRSA-N 0 1 392.477 3.809 20 5 GHBDMN COc1ccc([C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2)N2CCCCC2)cc1 ZINC000010447127 924155822 /nfs/dbraw/zinc/15/58/22/924155822.db2.gz YOMJGNIAOFEANK-HXUWFJFHSA-N 0 1 383.448 3.560 20 5 GHBDMN C[C@@H]1CN(Cc2ccc(CNC(=O)Nc3cccc([N+](=O)[O-])c3)cc2)C[C@H](C)O1 ZINC000410368029 925589340 /nfs/dbraw/zinc/58/93/40/925589340.db2.gz SOGOTAJNVIDWBA-IYBDPMFKSA-N 0 1 398.463 3.526 20 5 GHBDMN O=[N+]([O-])c1cccc(Br)c1CN1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000827849709 926081653 /nfs/dbraw/zinc/08/16/53/926081653.db2.gz IPUQMIYQPMGNAJ-CALCHBBNSA-N 0 1 381.270 3.750 20 5 GHBDMN O=C(CCN1CCc2ncc([N+](=O)[O-])cc2C1)Nc1c(Cl)cccc1Cl ZINC000411484817 926438830 /nfs/dbraw/zinc/43/88/30/926438830.db2.gz YWMYBMIFFIZAHB-UHFFFAOYSA-N 0 1 395.246 3.684 20 5 GHBDMN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000726601927 926755809 /nfs/dbraw/zinc/75/58/09/926755809.db2.gz UAPAFPDPQXRPDN-QAPCUYQASA-N 0 1 393.484 3.741 20 5 GHBDMN COc1ccc(CN(C)C[C@H](O)c2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000726603181 926757017 /nfs/dbraw/zinc/75/70/17/926757017.db2.gz NQIZOBISAIONQT-INIZCTEOSA-N 0 1 395.253 3.531 20 5 GHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000412667571 927712286 /nfs/dbraw/zinc/71/22/86/927712286.db2.gz HOWUBFFNWGXWGY-KRWDZBQOSA-N 0 1 376.416 3.881 20 5 GHBDMN Cc1nn(CN2CC[C@@](C)(CCc3ccccc3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000751603425 928270963 /nfs/dbraw/zinc/27/09/63/928270963.db2.gz DVIMWMCXCXGTEE-OAQYLSRUSA-N 0 1 379.464 3.950 20 5 GHBDMN CCc1cc(NCc2nc3ccc(C)cc3[nH]2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000467013223 928588068 /nfs/dbraw/zinc/58/80/68/928588068.db2.gz LZEJDDMBQHXIFE-UHFFFAOYSA-N 0 1 388.431 3.833 20 5 GHBDMN CCCCCOc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000467765350 929387861 /nfs/dbraw/zinc/38/78/61/929387861.db2.gz CQQVSYRBYWVSML-UHFFFAOYSA-N 0 1 380.422 3.670 20 5 GHBDMN CC[C@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000544767833 929558737 /nfs/dbraw/zinc/55/87/37/929558737.db2.gz MKYZDVDNDLHDQZ-FQEVSTJZSA-N 0 1 381.476 3.650 20 5 GHBDMN Cc1ccc(-c2cc(-c3nc(CCNc4ccccc4[N+](=O)[O-])no3)[nH]n2)o1 ZINC000547085870 930678913 /nfs/dbraw/zinc/67/89/13/930678913.db2.gz ICGMNSPCSSEFRJ-UHFFFAOYSA-N 0 1 380.364 3.591 20 5 GHBDMN CCc1cnccc1[C@H](C)N[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000783016214 931386001 /nfs/dbraw/zinc/38/60/01/931386001.db2.gz HUTHEIIRFOGKPF-NWDGAFQWSA-N 0 1 376.844 3.883 20 5 GHBDMN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1ccccc1N1CCN(C)CC1 ZINC000784024826 931759344 /nfs/dbraw/zinc/75/93/44/931759344.db2.gz VANUGHJZDHQJCG-UHFFFAOYSA-N 0 1 388.855 3.561 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1CCCN([C@H](C)c2ccc(F)cc2)C1=O ZINC000559341446 932613780 /nfs/dbraw/zinc/61/37/80/932613780.db2.gz BYOYZHUQFSZSGK-FOIQADDNSA-N 0 1 385.439 3.884 20 5 GHBDMN CC(C)(C)OC(=O)NCC[C@@H]1CCCN(Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000799360703 932969732 /nfs/dbraw/zinc/96/97/32/932969732.db2.gz ODEHTCMWPGUSLX-AWEZNQCLSA-N 0 1 381.448 3.861 20 5 GHBDMN CCc1ccc(C2=CCN(C(=O)c3[nH]nc4ccc([N+](=O)[O-])cc43)CC2)cc1 ZINC000560881036 933648570 /nfs/dbraw/zinc/64/85/70/933648570.db2.gz KPTNFCYEWIXJSD-UHFFFAOYSA-N 0 1 376.416 3.963 20 5 GHBDMN CCC[C@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC001137819505 935806965 /nfs/dbraw/zinc/80/69/65/935806965.db2.gz WECVRFVRIQEGLH-IBGZPJMESA-N 0 1 396.491 3.520 20 5 GHBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001591791101 975981037 /nfs/dbraw/zinc/98/10/37/975981037.db2.gz JBOJSRYKNJGMKN-LBPRGKRZSA-N 0 1 391.449 3.526 20 5 GHBDMN CN(C)[C@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)c1cccc(F)c1 ZINC000545166005 1015604064 /nfs/dbraw/zinc/60/40/64/1015604064.db2.gz ZZRNRDDBQBJRRT-GOSISDBHSA-N 0 1 391.418 3.570 20 5 GHBDMN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1nc2ccccc2n1C1CC1 ZINC000545560826 1016035908 /nfs/dbraw/zinc/03/59/08/1016035908.db2.gz QICXOBWHNHTGBX-CQSZACIVSA-N 0 1 393.447 3.786 20 5 GHBDMN CC(C)C(=O)N1CC(Oc2ccc3c(c2)oc2c3c(=O)oc3cc(O)ccc23)C1 ZINC001227517889 1032449812 /nfs/dbraw/zinc/44/98/12/1032449812.db2.gz LQWZXCPJSCZDGB-UHFFFAOYSA-N 0 1 393.395 3.644 20 5 GHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCCC[C@H]1CC1(O)CCCCC1 ZINC001155258092 1032472955 /nfs/dbraw/zinc/47/29/55/1032472955.db2.gz ILLMZYKGNCECPR-HNNXBMFYSA-N 0 1 386.452 3.551 20 5 GHBDMN CCOc1cc(CN2CC[C@@H](c3nccc(C(F)(F)F)n3)C2)ccc1[N+](=O)[O-] ZINC000933713514 1018885508 /nfs/dbraw/zinc/88/55/08/1018885508.db2.gz PJMMVYPWBKWLSJ-CYBMUJFWSA-N 0 1 396.369 3.792 20 5 GHBDMN CSc1nc(Cl)c([N+](=O)[O-])c(N[C@H](c2cccnc2)C(F)(F)F)n1 ZINC001156154127 1032903283 /nfs/dbraw/zinc/90/32/83/1032903283.db2.gz CNFJXXFBRUITJR-MRVPVSSYSA-N 0 1 379.751 3.871 20 5 GHBDMN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C(F)(F)F)nc1C ZINC000800844916 1021343379 /nfs/dbraw/zinc/34/33/79/1021343379.db2.gz RBJIJIRIPGHKHD-UHFFFAOYSA-N 0 1 393.318 3.565 20 5 GHBDMN C[C@H](N[C@H](CCO)c1cccc(C(F)(F)F)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834879912 1021605668 /nfs/dbraw/zinc/60/56/68/1021605668.db2.gz YGPBIJVQDFKHBV-MEDUHNTESA-N 0 1 383.370 3.970 20 5 GHBDMN C[C@@H]1C[C@H](C)[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])[C@@H](C)[C@@H]1C(=O)[O-] ZINC000903952071 1021661832 /nfs/dbraw/zinc/66/18/32/1021661832.db2.gz JTMYXCBHQAXAHH-DZHLUBAWSA-N 0 1 385.258 3.677 20 5 GHBDMN CN(C)Cc1ccc(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])cc1F ZINC000754870623 1022941122 /nfs/dbraw/zinc/94/11/22/1022941122.db2.gz FBJQJQULVZNUIW-UHFFFAOYSA-N 0 1 395.818 3.857 20 5 GHBDMN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(CN(C)C)c(F)c1 ZINC000754870493 1022941353 /nfs/dbraw/zinc/94/13/53/1022941353.db2.gz HPZORZSPBYQYDW-NSHDSACASA-N 0 1 395.818 3.855 20 5 GHBDMN CCc1nc(COC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)n[nH]1 ZINC000754869813 1022942525 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5 GHBDMN COc1cc(N2CC(c3ncn4cc(-c5ccoc5)ccc34)C2)ncc1[N+](=O)[O-] ZINC001166495015 1027013945 /nfs/dbraw/zinc/01/39/45/1027013945.db2.gz FQOVUXXVYCOMPW-UHFFFAOYSA-N 0 1 391.387 3.510 20 5 GHBDMN C[C@@H](c1ccccc1)[C@@H](O)CNCc1c(Br)cccc1[N+](=O)[O-] ZINC001203234851 1027241247 /nfs/dbraw/zinc/24/12/47/1027241247.db2.gz LBORQIVJSSGXMX-SJCJKPOMSA-N 0 1 379.254 3.612 20 5 GHBDMN C[C@@H](c1ccccc1)[C@H](O)CNCc1c(Br)cccc1[N+](=O)[O-] ZINC001203234853 1027243027 /nfs/dbraw/zinc/24/30/27/1027243027.db2.gz LBORQIVJSSGXMX-YVEFUNNKSA-N 0 1 379.254 3.612 20 5 GHBDMN COC(=O)c1cc(Br)c(OC)cc1Nc1ccc(O)c([N+](=O)[O-])c1 ZINC001210399191 1027490522 /nfs/dbraw/zinc/49/05/22/1027490522.db2.gz SSAJPWCWCOFGGY-UHFFFAOYSA-N 0 1 397.181 3.602 20 5 GHBDMN Cc1nc([C@@H]2CCN(c3cc(Cl)c(C(F)(F)F)cc3[N+](=O)[O-])C2)n[nH]1 ZINC000840378164 1027496950 /nfs/dbraw/zinc/49/69/50/1027496950.db2.gz QPAVITBRQSORGH-MRVPVSSYSA-N 0 1 375.738 3.687 20 5 GHBDMN Cc1nnc([C@@H]2CCN(c3cc(Cl)c(C(F)(F)F)cc3[N+](=O)[O-])C2)[nH]1 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IMCRAMKWXVXZHM-UHFFFAOYSA-N 0 1 392.165 3.789 20 5 GHBDMN C[C@H](c1ccccn1)N1CC[C@@H](Oc2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC001225893082 1031679843 /nfs/dbraw/zinc/67/98/43/1031679843.db2.gz LSVWPERXVFNVRI-DGCLKSJQSA-N 0 1 382.342 3.618 20 5 GHBDMN O=[N+]([O-])c1cc(OC[C@@H]2CN(Cc3ccccc3)CCCO2)c(F)cc1F ZINC001226181517 1031836095 /nfs/dbraw/zinc/83/60/95/1031836095.db2.gz QALVLHKRUIBJMK-HNNXBMFYSA-N 0 1 378.375 3.543 20 5 GHBDMN CC(=O)c1cc(Br)cc([N+](=O)[O-])c1OC1CCN(C2CC2)CC1 ZINC001229231748 1033355141 /nfs/dbraw/zinc/35/51/41/1033355141.db2.gz CNZZNOOIQWYNEF-UHFFFAOYSA-N 0 1 383.242 3.566 20 5 GHBDMN O=C1CCc2ccc(-c3noc(-c4cc(-c5ccc([N+](=O)[O-])cc5)n[nH]4)n3)cc21 ZINC001213008515 1033582638 /nfs/dbraw/zinc/58/26/38/1033582638.db2.gz OSZOKMVRWPOSRO-UHFFFAOYSA-N 0 1 387.355 3.831 20 5 GHBDMN CCCSc1nc(O[C@@H](c2cccnc2)C(F)(F)F)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229791898 1033718288 /nfs/dbraw/zinc/71/82/88/1033718288.db2.gz OVJGLRGVHQJABC-JTQLQIEISA-N 0 1 390.343 3.670 20 5 GHBDMN CCOC(=O)C[C@@H](Oc1ccc2c(c1)oc(=O)c1cc(O)ccc21)C(F)(F)F ZINC001229797638 1033723191 /nfs/dbraw/zinc/72/31/91/1033723191.db2.gz IWQPCXJEIGZAMO-MRXNPFEDSA-N 0 1 396.317 3.915 20 5 GHBDMN CN(C)Cc1cc(F)ccc1OC1CCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC001229859073 1033758854 /nfs/dbraw/zinc/75/88/54/1033758854.db2.gz WSUDHFHXJJGCBR-UHFFFAOYSA-N 0 1 391.418 3.982 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1O[C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001230765451 1034215900 /nfs/dbraw/zinc/21/59/00/1034215900.db2.gz CFPZEQNJHSIXLY-JOCQHMNTSA-N 0 1 375.252 3.924 20 5 GHBDMN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CN1C[C@@H](Cc2ccccc2)[C@H](O)C1 ZINC001207735862 1034549105 /nfs/dbraw/zinc/54/91/05/1034549105.db2.gz SSWDOXIFYUNQFY-CRAIPNDOSA-N 0 1 380.366 3.649 20 5 GHBDMN CS(C)(=O)=Nc1ccc(NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)cc1 ZINC001160081711 1034852982 /nfs/dbraw/zinc/85/29/82/1034852982.db2.gz NGZKVZPZUZHLEZ-UHFFFAOYSA-N 0 1 399.432 3.596 20 5 GHBDMN CC(C)(C)C(=O)CN1CCC(Nc2ccc(-c3ccc([N+](=O)[O-])cc3)nn2)CC1 ZINC001161125751 1035150541 /nfs/dbraw/zinc/15/05/41/1035150541.db2.gz ZSJUEZZZYSIWRG-UHFFFAOYSA-N 0 1 397.479 3.543 20 5 GHBDMN O=[N+]([O-])c1ccc2c(c1)ncnc2N[C@H]1CCN(Cc2cccc(Cl)c2)C1 ZINC001161180256 1035167955 /nfs/dbraw/zinc/16/79/55/1035167955.db2.gz ALCWDLLALXCXMY-HNNXBMFYSA-N 0 1 383.839 3.878 20 5 GHBDMN CC(C)(C)OC(=O)NCC1CN(Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232219645 1035168547 /nfs/dbraw/zinc/16/85/47/1035168547.db2.gz XOKJRWFVJQVJDM-UHFFFAOYSA-N 0 1 378.476 3.740 20 5 GHBDMN O=[N+]([O-])c1ccc2oc(CNC[C@]3(Cc4ccc(F)cc4)CCC[C@H]3O)nc2c1 ZINC001462086509 1069986902 /nfs/dbraw/zinc/98/69/02/1069986902.db2.gz LTHJLQNHHPZZCH-TZIWHRDSSA-N 0 1 399.422 3.739 20 5 GHBDMN CCN1CCN(c2cc(N(C)C(=O)c3ccc(C)c(C)c3)cc([N+](=O)[O-])c2)CC1 ZINC001462087721 1069987951 /nfs/dbraw/zinc/98/79/51/1069987951.db2.gz FBAQIMBJPDCINV-UHFFFAOYSA-N 0 1 396.491 3.630 20 5 GHBDMN CN(C(=O)CN1C[C@@H]2CCCC[C@@]21c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC001253404228 1039604368 /nfs/dbraw/zinc/60/43/68/1039604368.db2.gz RONQEIVWRKZPSZ-PGRDOPGGSA-N 0 1 379.460 3.959 20 5 GHBDMN Cc1ccn2cc(C[N@H+](C)C3CCN(c4ccc([N+](=O)[O-])cc4)CC3)nc2c1 ZINC001254483688 1040271531 /nfs/dbraw/zinc/27/15/31/1040271531.db2.gz WLBCPUKWRUYNFS-UHFFFAOYSA-N 0 1 379.464 3.652 20 5 GHBDMN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]1C ZINC001254569065 1040345507 /nfs/dbraw/zinc/34/55/07/1040345507.db2.gz HLJLZTZSHHKRML-BFYDXBDKSA-N 0 1 377.485 3.903 20 5 GHBDMN CC(C)N1CCN(C(=O)c2ccc(O[C@@H](C)c3cccc([N+](=O)[O-])c3)cc2)CC1 ZINC001234903979 1040418250 /nfs/dbraw/zinc/41/82/50/1040418250.db2.gz PCCHQYNNQIBBMX-KRWDZBQOSA-N 0 1 397.475 3.901 20 5 GHBDMN O=[N+]([O-])c1ccc(OS(=O)(=O)c2c[nH]c3ncc(Cl)cc32)c(Cl)c1 ZINC001462710085 1070488870 /nfs/dbraw/zinc/48/88/70/1070488870.db2.gz VGYRDHYABGHDTN-UHFFFAOYSA-N 0 1 388.188 3.546 20 5 GHBDMN Cc1cc(Cl)c(C(=O)NCCc2nc3ccc(F)cc3[nH]2)cc1[N+](=O)[O-] ZINC001293999510 1044414458 /nfs/dbraw/zinc/41/44/58/1044414458.db2.gz DHTSFFUCBPSDLL-UHFFFAOYSA-N 0 1 376.775 3.545 20 5 GHBDMN CCCCOc1ccc(NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)cn1 ZINC001296818359 1045380970 /nfs/dbraw/zinc/38/09/70/1045380970.db2.gz APMLYDZFVQWOLM-UHFFFAOYSA-N 0 1 381.392 3.811 20 5 GHBDMN CN(C)C[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001302115392 1046823196 /nfs/dbraw/zinc/82/31/96/1046823196.db2.gz QSYNDRGJHJTDDK-INIZCTEOSA-N 0 1 395.381 3.575 20 5 GHBDMN COc1ccc(-c2n[nH]c(CNc3nccc4c3cccc4[N+](=O)[O-])n2)cc1 ZINC001306962678 1048982097 /nfs/dbraw/zinc/98/20/97/1048982097.db2.gz SCTAEVUXCVYXPJ-UHFFFAOYSA-N 0 1 376.376 3.549 20 5 GHBDMN COc1ccc(-c2nc(CNc3nccc4c3cccc4[N+](=O)[O-])n[nH]2)cc1 ZINC001306962678 1048982100 /nfs/dbraw/zinc/98/21/00/1048982100.db2.gz SCTAEVUXCVYXPJ-UHFFFAOYSA-N 0 1 376.376 3.549 20 5 GHBDMN CN(C)c1ccnc(CNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)c1 ZINC001288872471 1049243856 /nfs/dbraw/zinc/24/38/56/1049243856.db2.gz RBTKCXCUIANNES-UHFFFAOYSA-N 0 1 392.415 3.778 20 5 GHBDMN O=[N+]([O-])c1cccc([C@H](NCc2cc(O)ccc2[N+](=O)[O-])C(F)(F)F)c1F ZINC001307840684 1049626670 /nfs/dbraw/zinc/62/66/70/1049626670.db2.gz CPBGVYLWQRKKHX-AWEZNQCLSA-N 0 1 389.261 3.741 20 5 GHBDMN O=[N+]([O-])c1ccccc1OCCN1CCC[C@](O)(c2ccc(Cl)cc2)C1 ZINC001307896655 1049674971 /nfs/dbraw/zinc/67/49/71/1049674971.db2.gz OFJYEBWIPAWYRK-LJQANCHMSA-N 0 1 376.840 3.611 20 5 GHBDMN Cc1noc(CN2CC[C@@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C2)c1[N+](=O)[O-] ZINC001308028726 1049779004 /nfs/dbraw/zinc/77/90/04/1049779004.db2.gz ZIZVRILHDJXXSH-IBGZPJMESA-N 0 1 396.488 3.654 20 5 GHBDMN C[C@H](CN(C)C(=O)OC(C)(C)C)NCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001308876746 1050134984 /nfs/dbraw/zinc/13/49/84/1050134984.db2.gz GUKHAMGSGKMCSA-LLVKDONJSA-N 0 1 391.390 3.959 20 5 GHBDMN O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)N[C@@H](CF)c1ccc(F)cc1 ZINC001309786328 1050972837 /nfs/dbraw/zinc/97/28/37/1050972837.db2.gz UZXSBFRSGGBXMY-LBPRGKRZSA-N 0 1 394.758 3.516 20 5 GHBDMN Cc1cc(NC(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)ccc1N1CCN(C)CC1 ZINC001310060333 1051130435 /nfs/dbraw/zinc/13/04/35/1051130435.db2.gz RHXOOAWYYNDMKC-MRXNPFEDSA-N 0 1 397.479 3.538 20 5 GHBDMN Cc1c(C(=O)N(C)c2nc(-c3ccccc3[N+](=O)[O-])cs2)ccc2cncn21 ZINC001320890413 1056000631 /nfs/dbraw/zinc/00/06/31/1056000631.db2.gz VLTGWPFNQAKEGH-UHFFFAOYSA-N 0 1 393.428 3.951 20 5 GHBDMN CN(Cc1nc2ccc(C(F)(F)F)cc2[nH]1)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC001300661321 1056799830 /nfs/dbraw/zinc/79/98/30/1056799830.db2.gz AACXCRTWQYLZTI-UHFFFAOYSA-N 0 1 392.337 3.691 20 5 GHBDMN O=[N+]([O-])c1ccccc1-c1cnn(CN2CC[C@H](COCc3ccccc3)C2)c1 ZINC000848480564 1057118385 /nfs/dbraw/zinc/11/83/85/1057118385.db2.gz REBJXQWRLMPARG-IBGZPJMESA-N 0 1 392.459 3.955 20 5 GHBDMN O=[N+]([O-])c1ccc2c(cnn2CN2CCC(c3ccc4cccnc4n3)CC2)c1 ZINC000848495423 1057127086 /nfs/dbraw/zinc/12/70/86/1057127086.db2.gz HCBSLBAWCFZUTD-UHFFFAOYSA-N 0 1 388.431 3.725 20 5 GHBDMN O=[N+]([O-])c1ccc(OC(F)F)c(CNCCOc2ccc3c(c2)CCC3)c1 ZINC001338752241 1058764257 /nfs/dbraw/zinc/76/42/57/1058764257.db2.gz UZUJYFKUHGSGFY-UHFFFAOYSA-N 0 1 378.375 3.854 20 5 GHBDMN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc2nc(N(C)C)[nH]c2c1 ZINC001448495594 1060201059 /nfs/dbraw/zinc/20/10/59/1060201059.db2.gz QCKCTCUYKLNVIA-CQSZACIVSA-N 0 1 381.436 3.745 20 5 GHBDMN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(C)C2(CCCCC2)C1 ZINC001449891263 1060477557 /nfs/dbraw/zinc/47/75/57/1060477557.db2.gz JBXXJOHRIRNTPI-HNNXBMFYSA-N 0 1 377.510 3.552 20 5 GHBDMN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCN(Cc2ccccc2)[C@@H](C(C)C)C1 ZINC001453493879 1061142586 /nfs/dbraw/zinc/14/25/86/1061142586.db2.gz IICPYWGCPHCEIK-HXUWFJFHSA-N 0 1 381.476 3.886 20 5 GHBDMN CC(C)CCSc1ccc(C(=O)N[C@H]2CN3CCC2CC3)cc1[N+](=O)[O-] ZINC001347226942 1062226788 /nfs/dbraw/zinc/22/67/88/1062226788.db2.gz JRHDXNHKYCCMHY-INIZCTEOSA-N 0 1 377.510 3.557 20 5 GHBDMN O=C(Cc1ccc(F)cc1[N+](=O)[O-])Nc1ccc2nc(-c3ccccn3)[nH]c2c1 ZINC001435771330 1062920985 /nfs/dbraw/zinc/92/09/85/1062920985.db2.gz APEMTFGVOWOHTN-UHFFFAOYSA-N 0 1 391.362 3.853 20 5 GHBDMN CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1n[nH]c2nc(C(F)(F)F)ccc12 ZINC001457225911 1063045802 /nfs/dbraw/zinc/04/58/02/1063045802.db2.gz LLOQMLBVZOBZMH-UHFFFAOYSA-N 0 1 397.338 3.859 20 5 GHBDMN CCc1nn(C)c(N2CCC[C@H](c3cc(-c4ccccc4)[nH]n3)C2)c1[N+](=O)[O-] ZINC001458555436 1063889912 /nfs/dbraw/zinc/88/99/12/1063889912.db2.gz BGFXDXAWCASYHA-HNNXBMFYSA-N 0 1 380.452 3.665 20 5 GHBDMN CC(C)c1cc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)n(Cc2ccccc2)n1 ZINC001300138357 1065412700 /nfs/dbraw/zinc/41/27/00/1065412700.db2.gz OOPYQGGBBZJNHN-UHFFFAOYSA-N 0 1 380.404 3.921 20 5 GHBDMN CCOC(=O)c1c(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)sc2c1CCCC2 ZINC001466951957 1066410481 /nfs/dbraw/zinc/41/04/81/1066410481.db2.gz LPJFJTNYLAJICU-UHFFFAOYSA-N 0 1 390.417 3.670 20 5 GHBDMN CN1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC12CCCCC2 ZINC001468226174 1067639919 /nfs/dbraw/zinc/63/99/19/1067639919.db2.gz YYDZOLODLOYFGK-UHFFFAOYSA-N 0 1 397.928 3.817 20 5 GHBDMN O=C(NC/C=C/c1ccc(Br)cc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC001468353363 1067699849 /nfs/dbraw/zinc/69/98/49/1067699849.db2.gz NJHTYMJGHFVRQK-OWOJBTEDSA-N 0 1 377.194 3.506 20 5 GHBDMN O=[N+]([O-])c1ccccc1CN(C[C@H]1COc2ccccc2O1)[C@H]1CC[C@H](O)CC1 ZINC001460303029 1068915454 /nfs/dbraw/zinc/91/54/54/1068915454.db2.gz JEBUOLNQRWMYFW-FHWLQOOXSA-N 0 1 398.459 3.540 20 5 GHBDMN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC001470719765 1072705234 /nfs/dbraw/zinc/70/52/34/1072705234.db2.gz STIMCDQGNXEDOS-UHFFFAOYSA-N 0 1 384.154 3.752 20 5 GHBDMN COc1ccc(OCCN2CCN(c3ccc(C)c(C)c3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC001473203616 1073856342 /nfs/dbraw/zinc/85/63/42/1073856342.db2.gz GZQJDRHGAOSWIW-SFHVURJKSA-N 0 1 399.491 3.810 20 5 GHBDMN Cc1ccc(Cl)c(OC[C@H](O)CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC001473233527 1073879042 /nfs/dbraw/zinc/87/90/42/1073879042.db2.gz PHJHKGUQBFSFHA-GOSISDBHSA-N 0 1 390.867 3.961 20 5 GHBDMN CCOC(=O)[C@]1(C(C)C)CCN(Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC001473427315 1073960284 /nfs/dbraw/zinc/96/02/84/1073960284.db2.gz XNQGBKORIJLIAY-QGZVFWFLSA-N 0 1 399.285 3.769 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1CN1CCC(CCNC(=O)OC(C)(C)C)CC1 ZINC001473603979 1074042637 /nfs/dbraw/zinc/04/26/37/1074042637.db2.gz ZBBYIHKQCKAUQY-UHFFFAOYSA-N 0 1 393.484 3.730 20 5 GHBDMN C[C@@](CO)(NCc1ccc(OCc2ccccn2)cc1)c1cccc([N+](=O)[O-])c1 ZINC001473714001 1074102876 /nfs/dbraw/zinc/10/28/76/1074102876.db2.gz HRKGAUXAXDKDQA-QFIPXVFZSA-N 0 1 393.443 3.566 20 5 GHBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(n2cnc3ccccc3c2=O)CC1 ZINC001473898128 1074195255 /nfs/dbraw/zinc/19/52/55/1074195255.db2.gz WJQSEERQXZSIHE-OAHLLOKOSA-N 0 1 378.432 3.703 20 5 GHBDMN Cc1ccc([N+](=O)[O-])c(C)c1CN1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC001474368055 1074366260 /nfs/dbraw/zinc/36/62/60/1074366260.db2.gz GCYFFBDXKWSJCF-KRWDZBQOSA-N 0 1 386.427 3.747 20 5 GHBDMN Cc1ccc(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])c(C)c1 ZINC001474850176 1074592585 /nfs/dbraw/zinc/59/25/85/1074592585.db2.gz LIKKRXKZPKGYLG-UHFFFAOYSA-N 0 1 389.260 3.997 20 5 GHBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)N[C@@H]1CCC[C@@H](c2cccc(Cl)c2)C1 ZINC001475388038 1074857621 /nfs/dbraw/zinc/85/76/21/1074857621.db2.gz WJAGDHDOOBIVDW-UKRRQHHQSA-N 0 1 395.868 3.648 20 5 GHBDMN Cn1cc(C[C@H]2CCN(Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C2)cn1 ZINC000093869924 834707382 /nfs/dbraw/zinc/70/73/82/834707382.db2.gz DPQOMVFEKFBQBE-CQSZACIVSA-N 0 1 383.477 3.516 20 5 GHBDMN O=C([O-])[C@H]1C[C@H]2CCCC[C@H]2[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000186908737 834784772 /nfs/dbraw/zinc/78/47/72/834784772.db2.gz LYAULXUTPQPDOF-KBRIMQKVSA-N 0 1 385.420 3.510 20 5 GHBDMN Cc1ccc(S(=O)(=O)C[C@@H](C)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000120203411 834881801 /nfs/dbraw/zinc/88/18/01/834881801.db2.gz HGBMKVGIESWULW-HZPDHXFCSA-N 0 1 376.478 3.725 20 5 GHBDMN O=C(NC[C@H]1CCCCN1C1CC1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000278378309 834888082 /nfs/dbraw/zinc/88/80/82/834888082.db2.gz SPRRSYBWQNULHZ-MRXNPFEDSA-N 0 1 375.472 3.840 20 5 GHBDMN CSc1cccc(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000188049314 835355982 /nfs/dbraw/zinc/35/59/82/835355982.db2.gz JRUACNBHZSELGM-INIZCTEOSA-N 0 1 385.489 3.711 20 5 GHBDMN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000278633097 835660893 /nfs/dbraw/zinc/66/08/93/835660893.db2.gz MNGAWAXLOVRUQH-LBPRGKRZSA-N 0 1 389.843 3.572 20 5 GHBDMN CC(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)cc1C ZINC000134778407 835960659 /nfs/dbraw/zinc/96/06/59/835960659.db2.gz OBCALNRGXONSQK-UHFFFAOYSA-N 0 1 382.825 3.868 20 5 GHBDMN COc1ccc(C[C@H](C)CN(C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000535629003 836062303 /nfs/dbraw/zinc/06/23/03/836062303.db2.gz NEQKZSKRBVRGEM-HNNXBMFYSA-N 0 1 385.464 3.661 20 5 GHBDMN COc1ccccc1C[C@H](C)N(C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000173695540 836252926 /nfs/dbraw/zinc/25/29/26/836252926.db2.gz FBRSETAOQWFBBB-AWEZNQCLSA-N 0 1 382.420 3.716 20 5 GHBDMN COc1cccc([C@H]2[C@@H](NC(=O)Nc3ccc([N+](=O)[O-])cc3)CCN2C2CC2)c1 ZINC000180065379 837058560 /nfs/dbraw/zinc/05/85/60/837058560.db2.gz PDONVOIERWDZCT-PMACEKPBSA-N 0 1 396.447 3.703 20 5 GHBDMN CCc1ccc(C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000155428319 837219610 /nfs/dbraw/zinc/21/96/10/837219610.db2.gz NFJFJANAIBIRFF-HNNXBMFYSA-N 0 1 382.464 3.508 20 5 GHBDMN C[C@@H](NCC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000180430966 837251964 /nfs/dbraw/zinc/25/19/64/837251964.db2.gz BQYSHEUXCZALHP-CHWSQXEVSA-N 0 1 377.391 3.743 20 5 GHBDMN C[C@H]1CCCC[N@H+]1CCC1CCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000580649767 837380408 /nfs/dbraw/zinc/38/04/08/837380408.db2.gz SHWMCIRAWHMJKJ-HNNXBMFYSA-N 0 1 375.469 3.774 20 5 GHBDMN O=[N+]([O-])c1ccc(OC2CCN(CCOCC(F)(F)C(F)(F)F)CC2)cc1 ZINC000189476963 838265436 /nfs/dbraw/zinc/26/54/36/838265436.db2.gz QCFSTJSSKQBJGD-UHFFFAOYSA-N 0 1 398.328 3.652 20 5 GHBDMN C[N@@H+](CCCC(=O)[O-])Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000414643505 838727866 /nfs/dbraw/zinc/72/78/66/838727866.db2.gz XMJKVQRGUQKRFL-UHFFFAOYSA-N 0 1 397.225 3.914 20 5 GHBDMN O=[N+]([O-])c1ccccc1CCNCc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000548067523 839088374 /nfs/dbraw/zinc/08/83/74/839088374.db2.gz LVBGMUUXNUMWLV-UHFFFAOYSA-N 0 1 383.429 3.779 20 5 GHBDMN CCCCOc1ncccc1CNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000236651490 839295192 /nfs/dbraw/zinc/29/51/92/839295192.db2.gz ABJSOOCUQSWAPY-UHFFFAOYSA-N 0 1 395.463 3.859 20 5 GHBDMN C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)c3ccc([N+](=O)[O-])c([O-])c3)cc2)C1 ZINC000510353510 840239733 /nfs/dbraw/zinc/23/97/33/840239733.db2.gz NBGJAWZIADLECR-IYBDPMFKSA-N 0 1 397.475 3.708 20 5 GHBDMN O=[N+]([O-])c1ccc2c(c1)[C@H](NCc1ccncc1OC[C@@H]1CCOC1)CCCC2 ZINC000417347801 840756684 /nfs/dbraw/zinc/75/66/84/840756684.db2.gz HYLXNPYFJIFLOU-IIBYNOLFSA-N 0 1 397.475 3.962 20 5 GHBDMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000047366963 840766049 /nfs/dbraw/zinc/76/60/49/840766049.db2.gz AQOIEZGUJYYZPR-MRXNPFEDSA-N 0 1 397.479 3.538 20 5 GHBDMN Cc1cc(NCc2ccccc2N2CCOCC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302134565 861214675 /nfs/dbraw/zinc/21/46/75/861214675.db2.gz CWLVGJDSQPBXHX-UHFFFAOYSA-N 0 1 378.432 3.900 20 5 GHBDMN CCOc1ccc([C@H](C)NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)cc1OCC ZINC000045270086 841634790 /nfs/dbraw/zinc/63/47/90/841634790.db2.gz LYKIFBFGSVFUKH-LBPRGKRZSA-N 0 1 398.419 3.760 20 5 GHBDMN COC(=O)[C@@H](NCc1cc(O)ccc1[N+](=O)[O-])c1ccc(Cl)cc1Cl ZINC000549544412 841638391 /nfs/dbraw/zinc/63/83/91/841638391.db2.gz NORIFHKDWIRJSN-HNNXBMFYSA-N 0 1 385.203 3.611 20 5 GHBDMN CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)C1 ZINC000302153435 861222491 /nfs/dbraw/zinc/22/24/91/861222491.db2.gz IFRVYXLIMZMLOO-GOEBONIOSA-N 0 1 384.480 3.973 20 5 GHBDMN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000119528502 842263347 /nfs/dbraw/zinc/26/33/47/842263347.db2.gz BTYNGBAVOKSVKH-IUCAKERBSA-N 0 1 386.779 3.648 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2noc(CN3CCC[C@H]3Cc3ccc(F)cc3)n2)cc1 ZINC000055908038 842288492 /nfs/dbraw/zinc/28/84/92/842288492.db2.gz SWJJICRHMDDIMM-SFHVURJKSA-N 0 1 382.395 3.991 20 5 GHBDMN Cc1[nH]ncc1CNC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000051383000 842312891 /nfs/dbraw/zinc/31/28/91/842312891.db2.gz IRQQZWNHAJKMQQ-UHFFFAOYSA-N 0 1 399.838 3.822 20 5 GHBDMN NC(=O)C[C@H]1CCCN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000093809047 842735907 /nfs/dbraw/zinc/73/59/07/842735907.db2.gz QDDFXJSYOXBHHV-CQSZACIVSA-N 0 1 387.411 3.614 20 5 GHBDMN N=C1Nc2nc3ccccc3n2[C@H](c2ccc(-c3cccc([N+](=O)[O-])c3)s2)N1 ZINC000028511651 861418091 /nfs/dbraw/zinc/41/80/91/861418091.db2.gz JKIQGDQHHXCTNL-QGZVFWFLSA-N 0 1 390.428 3.769 20 5 GHBDMN C/C(=C\C(=O)NC1CCN(Cc2ccc(F)cc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000785358459 843686965 /nfs/dbraw/zinc/68/69/65/843686965.db2.gz OHXBGRCSFDVWKW-JQIJEIRASA-N 0 1 397.450 3.918 20 5 GHBDMN C[C@@H](N[C@@H](C)C(=O)Nc1ccc(OC(F)F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000056197133 861451478 /nfs/dbraw/zinc/45/14/78/861451478.db2.gz QJDMMCOZUIEBJM-NEPJUHHUSA-N 0 1 379.363 3.874 20 5 GHBDMN CC(C)N(C(=O)c1cc([N+](=O)[O-])ccc1F)[C@H]1CCN(Cc2ccccc2)C1 ZINC000843695966 843845776 /nfs/dbraw/zinc/84/57/76/843845776.db2.gz LMKHWUBUHVODED-SFHVURJKSA-N 0 1 385.439 3.859 20 5 GHBDMN O=C(CCNC1(c2c(F)cccc2F)CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000599700888 861510235 /nfs/dbraw/zinc/51/02/35/861510235.db2.gz RAQCQTYTVPPGGT-UHFFFAOYSA-N 0 1 375.375 3.871 20 5 GHBDMN CC(C)(C)OC(=O)c1cccc(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000500979092 844952903 /nfs/dbraw/zinc/95/29/03/844952903.db2.gz ALSZSEFHYIRJEL-QGZVFWFLSA-N 0 1 398.463 3.632 20 5 GHBDMN CO[C@@H](c1ccccc1Cl)[C@H](C)NCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000481490998 861516264 /nfs/dbraw/zinc/51/62/64/861516264.db2.gz DBWUMLJLDPQVJU-ORAYPTAESA-N 0 1 391.855 3.861 20 5 GHBDMN CCOc1ccc([C@H](C)N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC ZINC000047608575 845212281 /nfs/dbraw/zinc/21/22/81/845212281.db2.gz KDGXYNVKSRVIDQ-UONOGXRCSA-N 0 1 387.436 3.680 20 5 GHBDMN COC(=O)c1cc(C(=O)Nc2ccc3nc(C4CCC4)[nH]c3c2)cc([N+](=O)[O-])c1 ZINC000072058732 846335965 /nfs/dbraw/zinc/33/59/65/846335965.db2.gz YZFCDZCEXVNNFG-UHFFFAOYSA-N 0 1 394.387 3.778 20 5 GHBDMN COc1cccc([C@@H]2[C@H](NC(=O)c3ccc([N+](=O)[O-])cc3C)CCN2C2CC2)c1 ZINC000183245975 846830461 /nfs/dbraw/zinc/83/04/61/846830461.db2.gz DHLGMJCYJFBENO-NHCUHLMSSA-N 0 1 395.459 3.620 20 5 GHBDMN O=[N+]([O-])c1ccc(OC(F)F)c(NS(=O)(=O)/C=C/c2ccc(F)cc2)c1 ZINC000176687395 847680232 /nfs/dbraw/zinc/68/02/32/847680232.db2.gz NGNFPQOQUBVNQR-BQYQJAHWSA-N 0 1 388.323 3.748 20 5 GHBDMN Cc1ccc2nc([C@H]3CCCN3C(=O)CCOc3ccccc3[N+](=O)[O-])[nH]c2c1 ZINC000061229158 848571070 /nfs/dbraw/zinc/57/10/70/848571070.db2.gz ATMPPQCIOVQONM-GOSISDBHSA-N 0 1 394.431 3.912 20 5 GHBDMN Nc1nccc(C(=O)Nc2ccc3nc(C4CCCCC4)[nH]c3c2)c1[N+](=O)[O-] ZINC000583211861 849346023 /nfs/dbraw/zinc/34/60/23/849346023.db2.gz GGJNLMCOVWSIPA-UHFFFAOYSA-N 0 1 380.408 3.579 20 5 GHBDMN O=C(CCN1CCc2c(cccc2[N+](=O)[O-])C1)N[C@H]1CCCc2ccccc21 ZINC000536003305 849727384 /nfs/dbraw/zinc/72/73/84/849727384.db2.gz PIZYERCUACJKFV-FQEVSTJZSA-N 0 1 379.460 3.537 20 5 GHBDMN CN(c1ccccc1)c1ccc(CN[C@H](CO)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000536005826 849736782 /nfs/dbraw/zinc/73/67/82/849736782.db2.gz NQVDJUVJPSWGHA-AWEZNQCLSA-N 0 1 383.370 3.766 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000504024513 849839179 /nfs/dbraw/zinc/83/91/79/849839179.db2.gz ORGQDAJNSWRUFV-UHFFFAOYSA-N 0 1 392.767 3.959 20 5 GHBDMN Cc1noc(-c2ccccc2)c1NS(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC000126462445 850004560 /nfs/dbraw/zinc/00/45/60/850004560.db2.gz RALKPOHXMNUVPH-UHFFFAOYSA-N 0 1 391.380 3.807 20 5 GHBDMN CC[C@H](N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(OC)c(OC)c1 ZINC000506639088 850232228 /nfs/dbraw/zinc/23/22/28/850232228.db2.gz HFCFPSJXPJKFPT-DYVFJYSZSA-N 0 1 387.436 3.680 20 5 GHBDMN C[C@@H]1CCC[C@H](C)N1CCNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000519297691 850882233 /nfs/dbraw/zinc/88/22/33/850882233.db2.gz BYENRNDTZPWFHE-IYBDPMFKSA-N 0 1 377.488 3.674 20 5 GHBDMN Cc1ccc(CN2CCSCC2)cc1NC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000164199763 851278227 /nfs/dbraw/zinc/27/82/27/851278227.db2.gz IDXVIVCBOYGAFK-UHFFFAOYSA-N 0 1 399.516 3.942 20 5 GHBDMN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccccc2COc2ccccc2)c1 ZINC000515699209 851373936 /nfs/dbraw/zinc/37/39/36/851373936.db2.gz RIEUDHXOEAIHKU-UHFFFAOYSA-N 0 1 384.413 3.975 20 5 GHBDMN CN(C)[C@@H](CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000488386410 851450709 /nfs/dbraw/zinc/45/07/09/851450709.db2.gz OCFKALJJEWCVHP-SFHVURJKSA-N 0 1 388.443 3.571 20 5 GHBDMN O=[N+]([O-])c1ccccc1/C=C/CN(CCO)Cc1cccc(Br)c1 ZINC000488385863 851451838 /nfs/dbraw/zinc/45/18/38/851451838.db2.gz KPOGMCCEAYWCPY-QPJJXVBHSA-N 0 1 391.265 3.865 20 5 GHBDMN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CC[C@](CO)(c3ccccc3)C2)c1 ZINC000550105351 851586050 /nfs/dbraw/zinc/58/60/50/851586050.db2.gz AKSSURDXXOFLHF-SFHVURJKSA-N 0 1 380.366 3.750 20 5 GHBDMN CCN(CC)Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)o1 ZINC000604510523 862267755 /nfs/dbraw/zinc/26/77/55/862267755.db2.gz AGFUUQCTHQPSFC-UHFFFAOYSA-N 0 1 383.351 3.883 20 5 GHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000507086249 852551861 /nfs/dbraw/zinc/55/18/61/852551861.db2.gz NJOJIJYYCVPZGC-CYBMUJFWSA-N 0 1 390.823 3.885 20 5 GHBDMN Cc1ccc([C@H](CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])N2CCCC2)o1 ZINC000506411665 853007172 /nfs/dbraw/zinc/00/71/72/853007172.db2.gz CMYKOCCIWKBABJ-INIZCTEOSA-N 0 1 377.828 3.717 20 5 GHBDMN CN(C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)[C@@H]1CCN(C2CC2)C1 ZINC000518428625 853335619 /nfs/dbraw/zinc/33/56/19/853335619.db2.gz VMSVXJYQTUDAMQ-QGZVFWFLSA-N 0 1 381.432 3.696 20 5 GHBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)[C@H]1C[C@@]12CCCc1ccccc12 ZINC000439184332 853400281 /nfs/dbraw/zinc/40/02/81/853400281.db2.gz GRZVCUQXMWUKEM-DYESRHJHSA-N 0 1 389.415 3.613 20 5 GHBDMN C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)N1CC[C@@H](C2CC2)C1 ZINC000491159965 853474818 /nfs/dbraw/zinc/47/48/18/853474818.db2.gz FRTSHGMASCTMOL-SWLSCSKDSA-N 0 1 386.477 3.777 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2ccc(CN3CCN(c4cccc(O)c4)CC3)o2)c1 ZINC000506141377 853577228 /nfs/dbraw/zinc/57/72/28/853577228.db2.gz VOJBUAUFAFOGGG-UHFFFAOYSA-N 0 1 379.416 3.883 20 5 GHBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NC(c1ccccc1)c1ccccc1 ZINC000518640071 853584797 /nfs/dbraw/zinc/58/47/97/853584797.db2.gz MAXNZHLAFPERLX-UHFFFAOYSA-N 0 1 386.404 3.802 20 5 GHBDMN C[C@@H](N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(OC(F)F)cc1 ZINC000044802818 853846430 /nfs/dbraw/zinc/84/64/30/853846430.db2.gz XSPPTFQTSIYDHG-NEPJUHHUSA-N 0 1 379.363 3.874 20 5 GHBDMN CC[C@@H](NCc1cccc(NC(=O)Cn2cccn2)c1)c1cccc([N+](=O)[O-])c1 ZINC000129615322 854045962 /nfs/dbraw/zinc/04/59/62/854045962.db2.gz UKYRBMHVFAHKKS-HXUWFJFHSA-N 0 1 393.447 3.671 20 5 GHBDMN COc1ccc(OCCN2CCC(Oc3ccc(F)cc3)CC2)c([N+](=O)[O-])c1 ZINC000441384027 854185279 /nfs/dbraw/zinc/18/52/79/854185279.db2.gz MEERDNFQIPJXRO-UHFFFAOYSA-N 0 1 390.411 3.665 20 5 GHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N(Cc1cccs1)CC(F)(F)F ZINC000473949138 854406897 /nfs/dbraw/zinc/40/68/97/854406897.db2.gz ZEYHXZPQJKHSCL-UHFFFAOYSA-N 0 1 384.339 3.737 20 5 GHBDMN Cc1ccc(-c2n[nH]c(NC(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)n2)o1 ZINC000153552100 855071253 /nfs/dbraw/zinc/07/12/53/855071253.db2.gz JBDQYMPYVTXXIZ-UHFFFAOYSA-N 0 1 381.270 3.552 20 5 GHBDMN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000057498191 855430046 /nfs/dbraw/zinc/43/00/46/855430046.db2.gz UKUBFRSJGDUANK-ACJLOTCBSA-N 0 1 391.468 3.634 20 5 GHBDMN COc1ccc(OCCN2CCC[C@@H]2c2ccc3c(c2)OCO3)c([N+](=O)[O-])c1 ZINC000441502025 855483741 /nfs/dbraw/zinc/48/37/41/855483741.db2.gz RAXHEOUKLFGWGX-MRXNPFEDSA-N 0 1 386.404 3.548 20 5 GHBDMN Cc1ccc([C@H](CNC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)N2CCCC2)o1 ZINC000171227297 856046834 /nfs/dbraw/zinc/04/68/34/856046834.db2.gz NTZHTVLCEPUBRU-YJBOKZPZSA-N 0 1 386.452 3.694 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2noc(CN3CCCC[C@@H]3[C@@H]3CCCC[C@H]3O)n2)c1 ZINC000280991856 862780718 /nfs/dbraw/zinc/78/07/18/862780718.db2.gz LWUVWIAKONEVHA-RCCFBDPRSA-N 0 1 386.452 3.550 20 5 GHBDMN C[C@H](CS(C)(=O)=O)NCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000172122562 856346344 /nfs/dbraw/zinc/34/63/44/856346344.db2.gz UIDCPKDHWNTAST-GFCCVEGCSA-N 0 1 398.868 3.563 20 5 GHBDMN CN(CCCN(C)C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)Cc1ccco1 ZINC001128756461 856442517 /nfs/dbraw/zinc/44/25/17/856442517.db2.gz JNVCTPWHBNIAEA-UHFFFAOYSA-N 0 1 385.464 3.590 20 5 GHBDMN Cc1cc(N2CC[C@@H](C(=O)N(C)c3ccccc3)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000485423202 856482728 /nfs/dbraw/zinc/48/27/28/856482728.db2.gz SESKLSKEDGHGEG-MRXNPFEDSA-N 0 1 390.443 3.941 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H](c1ccccc1)C1(CO)CC=CC1 ZINC000592177685 856761402 /nfs/dbraw/zinc/76/14/02/856761402.db2.gz NNKHLIVQMRAHIS-NRFANRHFSA-N 0 1 395.459 3.501 20 5 GHBDMN CCCCN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@H]1CCc2ncsc2C1 ZINC000592731589 857046209 /nfs/dbraw/zinc/04/62/09/857046209.db2.gz XWFZLKLQPDMTCG-LBPRGKRZSA-N 0 1 399.476 3.727 20 5 GHBDMN Cc1sc(CCNC(=O)c2cc(O)cc([N+](=O)[O-])c2)nc1-c1ccccc1 ZINC000428048672 857061045 /nfs/dbraw/zinc/06/10/45/857061045.db2.gz NVEAIQJOERZXPD-UHFFFAOYSA-N 0 1 383.429 3.705 20 5 GHBDMN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1cccs1)N(C)C ZINC000027676698 857107826 /nfs/dbraw/zinc/10/78/26/857107826.db2.gz XUDPDJLACNDFAK-WFASDCNBSA-N 0 1 379.507 3.556 20 5 GHBDMN O=C(N[C@@H]1CSc2ccc(Br)cc21)c1cc(O)cc([N+](=O)[O-])c1 ZINC000428188174 857169788 /nfs/dbraw/zinc/16/97/88/857169788.db2.gz VYVHRCLZPGCNQJ-CYBMUJFWSA-N 0 1 395.234 3.640 20 5 GHBDMN O=[N+]([O-])c1cc(CNCCOc2ncc(C(F)(F)F)cc2Cl)cs1 ZINC000174460729 857315486 /nfs/dbraw/zinc/31/54/86/857315486.db2.gz XRHREBCHMQNQEE-UHFFFAOYSA-N 0 1 381.763 3.892 20 5 GHBDMN CN(C)[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1cccc(F)c1 ZINC000043342965 857385763 /nfs/dbraw/zinc/38/57/63/857385763.db2.gz ANFLUNBLTJJKBS-INIZCTEOSA-N 0 1 380.807 3.812 20 5 GHBDMN C[C@H]1CN(Cc2ccc(CNc3ncc(Cl)cc3[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000301750322 857549244 /nfs/dbraw/zinc/54/92/44/857549244.db2.gz UIWYHAOJHKNPCI-KBPBESRZSA-N 0 1 390.871 3.865 20 5 GHBDMN Nc1c(C(=O)Nc2ccc3nc(-c4ccccn4)[nH]c3c2)cc(F)cc1[N+](=O)[O-] ZINC000114126387 857907357 /nfs/dbraw/zinc/90/73/57/857907357.db2.gz KNONIWNWGXIKQS-UHFFFAOYSA-N 0 1 392.350 3.507 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2noc(CSc3nc(-c4ccccc4)n[nH]3)n2)cc1 ZINC000059017332 857970226 /nfs/dbraw/zinc/97/02/26/857970226.db2.gz ACMUOGHFMNFKTB-UHFFFAOYSA-N 0 1 380.389 3.722 20 5 GHBDMN CCc1ccc([C@@H](NCc2n[nH]c([C@H]3CCCO3)n2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000594507526 858197812 /nfs/dbraw/zinc/19/78/12/858197812.db2.gz GJMJSBHXJQEBHA-MJGOQNOKSA-N 0 1 397.435 3.599 20 5 GHBDMN COc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C2CC2)cc1Cl ZINC000594463939 858197987 /nfs/dbraw/zinc/19/79/87/858197987.db2.gz LWYSWLMPAYTYDR-UHFFFAOYSA-N 0 1 382.825 3.935 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC000595024058 858355102 /nfs/dbraw/zinc/35/51/02/858355102.db2.gz VFXCNBOAXDOIRS-ULFGMLNVSA-N 0 1 398.381 3.789 20 5 GHBDMN Cc1cc(N2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000592971898 858456673 /nfs/dbraw/zinc/45/66/73/858456673.db2.gz VTHJHSLZZBKAJR-AWEZNQCLSA-N 0 1 387.411 3.624 20 5 GHBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@H](C)c2cccc(N3CCCC3)c2)c1 ZINC000593021916 858549982 /nfs/dbraw/zinc/54/99/82/858549982.db2.gz ZMKCRXAVIUCWTB-OAHLLOKOSA-N 0 1 383.448 3.832 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](c1ccccc1F)C(C)C ZINC000595686152 858647059 /nfs/dbraw/zinc/64/70/59/858647059.db2.gz QYMHFFMPDONAKL-LJQANCHMSA-N 0 1 375.400 3.668 20 5 GHBDMN COc1cc(CN2C[C@]34COC[C@@]3(C2)CCCC4)c([N+](=O)[O-])cc1OC(F)F ZINC000595904204 858712234 /nfs/dbraw/zinc/71/22/34/858712234.db2.gz ASIWTBAZCXFFBR-KDURUIRLSA-N 0 1 398.406 3.597 20 5 GHBDMN Cc1cc(NC2CCN(C(=O)c3ccccc3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000596062102 858768164 /nfs/dbraw/zinc/76/81/64/858768164.db2.gz ULJATPHLGCWBSU-UHFFFAOYSA-N 0 1 390.443 3.590 20 5 GHBDMN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC(=Cc2ccccc2F)CC1 ZINC000543207405 858888794 /nfs/dbraw/zinc/88/87/94/858888794.db2.gz FLZSFKHWVNOOGP-SFHVURJKSA-N 0 1 386.423 3.653 20 5 GHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H]2CCCc3c(Cl)cccc32)cc1 ZINC000543598827 858930090 /nfs/dbraw/zinc/93/00/90/858930090.db2.gz LOHPSYMKCZKRJG-SFHVURJKSA-N 0 1 394.880 3.689 20 5 GHBDMN CCc1ccc([C@@H](CC)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000544574421 859092131 /nfs/dbraw/zinc/09/21/31/859092131.db2.gz UYQNEJLQFYCRHF-LJQANCHMSA-N 0 1 376.478 3.672 20 5 GHBDMN Cc1cc(S(=O)(=O)Nc2cccc(Br)c2C)ccc1[N+](=O)[O-] ZINC000522359038 859178204 /nfs/dbraw/zinc/17/82/04/859178204.db2.gz QFWMKHIUXAAZCO-UHFFFAOYSA-N 0 1 385.239 3.775 20 5 GHBDMN COc1ccc(C[C@H](C)n2cncc2CNCc2ccccc2)c([N+](=O)[O-])c1 ZINC001170354917 881396576 /nfs/dbraw/zinc/39/65/76/881396576.db2.gz RTTUWRWCHBIIFW-INIZCTEOSA-N 0 1 380.448 3.893 20 5 GHBDMN COC(=O)c1cnc([C@H]2CCCN(Cc3ccc(C)c([N+](=O)[O-])c3)C2)s1 ZINC000597256132 859381657 /nfs/dbraw/zinc/38/16/57/859381657.db2.gz WPHZBGWTJPNZAW-AWEZNQCLSA-N 0 1 375.450 3.526 20 5 GHBDMN O=[N+]([O-])c1cccc(NS(=O)(=O)c2ccc(Br)cc2Cl)c1 ZINC000007053254 859441363 /nfs/dbraw/zinc/44/13/63/859441363.db2.gz LPKRBBIXSZCOMA-UHFFFAOYSA-N 0 1 391.630 3.812 20 5 GHBDMN Cc1cc([N+](=O)[O-])cc(C(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)c1F ZINC000764567936 859504333 /nfs/dbraw/zinc/50/43/33/859504333.db2.gz ZEBWTJMYRAAAOU-INIZCTEOSA-N 0 1 385.439 3.779 20 5 GHBDMN COc1ccc(C2CCN(Cc3cc4c(cc3[N+](=O)[O-])OCCO4)CC2)cc1 ZINC000611271364 859674618 /nfs/dbraw/zinc/67/46/18/859674618.db2.gz XUSQFNXRJYDYLU-UHFFFAOYSA-N 0 1 384.432 3.754 20 5 GHBDMN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H]1COc2c1cccc2Cl ZINC000611336798 859713056 /nfs/dbraw/zinc/71/30/56/859713056.db2.gz KGMDOUSKCMAZTP-ZBEGNZNMSA-N 0 1 375.812 3.689 20 5 GHBDMN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc2nc(C3CCCCC3)[nH]c2c1 ZINC000474266657 859725832 /nfs/dbraw/zinc/72/58/32/859725832.db2.gz QJTNTTXAFQIYGC-UHFFFAOYSA-N 0 1 382.424 3.662 20 5 GHBDMN CC[C@@H](N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1c(C)nn(C)c1C ZINC000543458141 859775650 /nfs/dbraw/zinc/77/56/50/859775650.db2.gz PQPVXQBGBQAMCK-IAQYHMDHSA-N 0 1 393.875 3.666 20 5 GHBDMN CNC(=O)c1ccc(CN(C)Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000121153398 859806644 /nfs/dbraw/zinc/80/66/44/859806644.db2.gz QTUUAOIOQAJSNF-UHFFFAOYSA-N 0 1 379.416 3.846 20 5 GHBDMN CCn1ccnc1[C@@H]1OCC[C@H]1NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000922401834 859925288 /nfs/dbraw/zinc/92/52/88/859925288.db2.gz WTRNZDFPMXUYCF-IEBWSBKVSA-N 0 1 382.420 3.691 20 5 GHBDMN C[C@@H]1[C@@H](c2cccc(Cl)c2)OCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000598254591 860177730 /nfs/dbraw/zinc/17/77/30/860177730.db2.gz VZAGHTZTFTUXPB-DIFFPNOSSA-N 0 1 376.796 3.556 20 5 GHBDMN COc1ccc([C@@H](CNc2ncc([N+](=O)[O-])cc2Cl)N2CCCC2)cc1 ZINC000301280152 860425454 /nfs/dbraw/zinc/42/54/54/860425454.db2.gz NSBONOONLDUMEL-QGZVFWFLSA-N 0 1 376.844 3.901 20 5 GHBDMN COc1cc(C(=O)N2CCC[C@H]2c2nc3ccc(C)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000155189116 860430242 /nfs/dbraw/zinc/43/02/42/860430242.db2.gz MWXIQHRYBBPRCK-KRWDZBQOSA-N 0 1 380.404 3.765 20 5 GHBDMN COc1cccc([C@H](CNc2ncc([N+](=O)[O-])cc2Cl)N2CCCC2)c1 ZINC000301297930 860444888 /nfs/dbraw/zinc/44/48/88/860444888.db2.gz YXJVLWGBLBLMMP-KRWDZBQOSA-N 0 1 376.844 3.901 20 5 GHBDMN O=[N+]([O-])c1sc(CNC[C@@H]2CC[C@H](C(F)(F)F)O2)cc1Br ZINC000896281701 860604102 /nfs/dbraw/zinc/60/41/02/860604102.db2.gz YZMMUQKSIYXGNK-IMTBSYHQSA-N 0 1 389.193 3.618 20 5 GHBDMN C[C@H](NCC(=O)N1CCC(Cc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000156264543 860731768 /nfs/dbraw/zinc/73/17/68/860731768.db2.gz HYJSJBQBUIAPOK-KRWDZBQOSA-N 0 1 381.476 3.727 20 5 GHBDMN CC[C@@H](NCc1ccc(OC)c([N+](=O)[O-])c1)c1cc(OC)c(OC)c(OC)c1 ZINC000593704864 860938439 /nfs/dbraw/zinc/93/84/39/860938439.db2.gz XQDWDSATDMDAJX-OAHLLOKOSA-N 0 1 390.436 3.870 20 5 GHBDMN O=C(Nc1cccc(-c2nnc[nH]2)c1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444029428 863170741 /nfs/dbraw/zinc/17/07/41/863170741.db2.gz IZYGKXODEAGVAA-UHFFFAOYSA-N 0 1 399.385 3.858 20 5 GHBDMN COC(=O)[C@@H]1CCCC[C@@]1(C)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000499256587 881746205 /nfs/dbraw/zinc/74/62/05/881746205.db2.gz QQYLJUDPGKIRBY-QFBILLFUSA-N 0 1 389.477 3.930 20 5 GHBDMN O=C(OCc1c(F)cccc1[N+](=O)[O-])[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000741327343 866409424 /nfs/dbraw/zinc/40/94/24/866409424.db2.gz GPHMPCJFICFWFK-OAHLLOKOSA-N 0 1 390.386 3.828 20 5 GHBDMN O=[N+]([O-])c1ccccc1CS(=O)(=O)Nc1cc(CCc2ccccc2)ccn1 ZINC000183384353 866680155 /nfs/dbraw/zinc/68/01/55/866680155.db2.gz GYWVYXBEBWDDPQ-UHFFFAOYSA-N 0 1 397.456 3.717 20 5 GHBDMN C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1 ZINC000475606925 866804408 /nfs/dbraw/zinc/80/44/08/866804408.db2.gz VIAKOLJYKCNUKG-ZDUSSCGKSA-N 0 1 383.404 3.567 20 5 GHBDMN CC(C)COC(=O)Nc1cccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000920314687 882041339 /nfs/dbraw/zinc/04/13/39/882041339.db2.gz VGJKSXLYVZRZOH-UHFFFAOYSA-N 0 1 393.421 3.600 20 5 GHBDMN C[C@@H]1CN(Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)CC[C@@H]1c1ccccc1 ZINC000742163305 867086953 /nfs/dbraw/zinc/08/69/53/867086953.db2.gz BLBOVEVQSAVOIV-UZLBHIALSA-N 0 1 377.448 3.936 20 5 GHBDMN O=[N+]([O-])c1cn(CN(CCc2ccc(F)cc2)C2CC2)nc1-c1ccncc1 ZINC000742149296 867102726 /nfs/dbraw/zinc/10/27/26/867102726.db2.gz JLTTVROYNODGCN-UHFFFAOYSA-N 0 1 381.411 3.657 20 5 GHBDMN Cc1ccc(C[C@@H]2CCCN2Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)cc1 ZINC000742149576 867103546 /nfs/dbraw/zinc/10/35/46/867103546.db2.gz MELYSNABSZCNJH-IBGZPJMESA-N 0 1 377.448 3.826 20 5 GHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC(Cc2c(F)cccc2F)CC1 ZINC000456834062 867225984 /nfs/dbraw/zinc/22/59/84/867225984.db2.gz XJYFCKVYMBZOCA-UHFFFAOYSA-N 0 1 376.359 3.674 20 5 GHBDMN COCCN(Cc1ccc(F)c(Cl)c1)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000456877472 867274851 /nfs/dbraw/zinc/27/48/51/867274851.db2.gz HSCDEABBFCGMMZ-UHFFFAOYSA-N 0 1 398.822 3.523 20 5 GHBDMN CCO[C@H]1C[C@H](NCc2nc(-c3cccc([N+](=O)[O-])c3)no2)C12CCCCC2 ZINC000429776508 867322350 /nfs/dbraw/zinc/32/23/50/867322350.db2.gz STZNUUSMNSUAKL-IRXDYDNUSA-N 0 1 386.452 3.862 20 5 GHBDMN COc1cccc(Cl)c1CN[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000479297568 867535867 /nfs/dbraw/zinc/53/58/67/867535867.db2.gz SCJJIELXCOIWHE-LBPRGKRZSA-N 0 1 377.828 3.764 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C)c1ccccc1SC ZINC000440634378 867682226 /nfs/dbraw/zinc/68/22/26/867682226.db2.gz HOQXURKVTSBNJV-LBPRGKRZSA-N 0 1 375.450 3.615 20 5 GHBDMN Cc1nc([C@H](C)NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000553636237 867804434 /nfs/dbraw/zinc/80/44/34/867804434.db2.gz PZJSASCFPQPWPZ-NSHDSACASA-N 0 1 383.433 3.664 20 5 GHBDMN O=C([O-])[C@@H]1CC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H]2CCCC[C@@H]12 ZINC000594733668 868373187 /nfs/dbraw/zinc/37/31/87/868373187.db2.gz BDLLSILEYKEAHK-RCCFBDPRSA-N 0 1 385.420 3.715 20 5 GHBDMN C[C@H]1CCN(C)CCN1C(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442715900 868397923 /nfs/dbraw/zinc/39/79/23/868397923.db2.gz BYLPKNXTXFESSI-HNNXBMFYSA-N 0 1 385.489 3.912 20 5 GHBDMN Cn1c(C(=O)OCCN(Cc2ccccc2)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000744200890 868661200 /nfs/dbraw/zinc/66/12/00/868661200.db2.gz CBHOUFDGXCVAGD-UHFFFAOYSA-N 0 1 393.443 3.793 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCCCc1ccccc1 ZINC000462461311 869497403 /nfs/dbraw/zinc/49/74/03/869497403.db2.gz CBNBGEYNDKXJKB-UHFFFAOYSA-N 0 1 389.260 3.813 20 5 GHBDMN O=C(N[C@H]1C[C@H](c2ccc(Br)cc2)C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000462638263 869812667 /nfs/dbraw/zinc/81/26/67/869812667.db2.gz DSZIHGJYYDVPFS-YEORSEQZSA-N 0 1 391.221 3.739 20 5 GHBDMN O=[N+]([O-])c1cccc([C@H](NC[C@@H](O)COc2ccccc2)c2ccccc2)c1 ZINC000538716142 870404208 /nfs/dbraw/zinc/40/42/08/870404208.db2.gz BVGPPKHOHHRFEF-IFMALSPDSA-N 0 1 378.428 3.714 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1CC(=O)N(C)[C@H]1c1ccc(F)c(F)c1 ZINC000540142996 870591859 /nfs/dbraw/zinc/59/18/59/870591859.db2.gz BCSFSUFGNSAXES-UOXRKKOCSA-N 0 1 389.402 3.804 20 5 GHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc3oc(C(F)(F)F)nc3c2)cc1 ZINC000920927304 882444630 /nfs/dbraw/zinc/44/46/30/882444630.db2.gz YKCMNZSBNFVZDZ-UHFFFAOYSA-N 0 1 387.295 3.556 20 5 GHBDMN CCCCCNC(=O)C1CCN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000181454172 871037076 /nfs/dbraw/zinc/03/70/76/871037076.db2.gz AKMIGMMFUNZQQD-UHFFFAOYSA-N 0 1 384.480 3.974 20 5 GHBDMN C[C@@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(Br)s1 ZINC000443328128 871179429 /nfs/dbraw/zinc/17/94/29/871179429.db2.gz FNWYFSIFWKKLRJ-SECBINFHSA-N 0 1 384.255 3.708 20 5 GHBDMN COc1ccc2c(c1)C[C@@H](C)N(CCOc1ccc(OC)cc1[N+](=O)[O-])[C@H]2C ZINC001169152525 871264212 /nfs/dbraw/zinc/26/42/12/871264212.db2.gz LRKNMUIPBOAEDB-CABCVRRESA-N 0 1 386.448 3.999 20 5 GHBDMN CCCOc1cccc(CNC(=O)CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000181842480 871535785 /nfs/dbraw/zinc/53/57/85/871535785.db2.gz BPRFZTDUCDCIIL-INIZCTEOSA-N 0 1 385.464 3.659 20 5 GHBDMN CCC[C@H](NCc1ccc(C)c(S(C)(=O)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000447573429 871840909 /nfs/dbraw/zinc/84/09/09/871840909.db2.gz RRGRXRYPSUUVHO-SFHVURJKSA-N 0 1 376.478 3.938 20 5 GHBDMN CCOc1ccc(CN(C)C(=O)CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000539376716 871854317 /nfs/dbraw/zinc/85/43/17/871854317.db2.gz GZCOXBSQCLSDKY-INIZCTEOSA-N 0 1 385.464 3.611 20 5 GHBDMN CC(C)(C)C[C@@H]1CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC001195064508 872144507 /nfs/dbraw/zinc/14/45/07/872144507.db2.gz HTFREJAZXWQVHO-HNNXBMFYSA-N 0 1 382.526 3.905 20 5 GHBDMN CCOC(=O)C(=C(O)CSc1ccc([N+](=O)[O-])cc1F)c1nc(C)cs1 ZINC000618964419 872189531 /nfs/dbraw/zinc/18/95/31/872189531.db2.gz DATHHKITJBHWBX-CQSZACIVSA-N 0 1 398.437 3.507 20 5 GHBDMN CCOC(=O)C(C(=O)CSc1ccc([N+](=O)[O-])cc1F)c1nc(C)cs1 ZINC000618964419 872189535 /nfs/dbraw/zinc/18/95/35/872189535.db2.gz DATHHKITJBHWBX-CQSZACIVSA-N 0 1 398.437 3.507 20 5 GHBDMN CCOC(=O)[C@H](C(=O)CSc1ccc([N+](=O)[O-])cc1F)c1nc(C)cs1 ZINC000618964419 872189539 /nfs/dbraw/zinc/18/95/39/872189539.db2.gz DATHHKITJBHWBX-CQSZACIVSA-N 0 1 398.437 3.507 20 5 GHBDMN CN(C)[C@H]1CCOc2c(NC(=O)CCCNc3ccc([N+](=O)[O-])cc3)cccc21 ZINC000447723852 872212875 /nfs/dbraw/zinc/21/28/75/872212875.db2.gz RRAOGHTZQZMTAP-IBGZPJMESA-N 0 1 398.463 3.811 20 5 GHBDMN Cc1c(NS(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)cccc1[N+](=O)[O-] ZINC000447777741 872265574 /nfs/dbraw/zinc/26/55/74/872265574.db2.gz OSPSIXCXSQILHH-UHFFFAOYSA-N 0 1 378.303 3.862 20 5 GHBDMN COc1cc(CNCc2cccc(N(C)C)c2)c([N+](=O)[O-])cc1OCC(F)F ZINC000494612532 882615135 /nfs/dbraw/zinc/61/51/35/882615135.db2.gz BPQANSZZXXNBSS-UHFFFAOYSA-N 0 1 395.406 3.603 20 5 GHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc3nc(-c4ccccn4)oc3c2)cc1 ZINC000182518701 872487735 /nfs/dbraw/zinc/48/77/35/872487735.db2.gz XBYHJLPGTDGOCJ-UHFFFAOYSA-N 0 1 396.384 3.599 20 5 GHBDMN Cc1cc(C)c([N+](=O)[O-])c(NCc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)n1 ZINC000541004985 872729554 /nfs/dbraw/zinc/72/95/54/872729554.db2.gz YFXLMVUEWDFZJJ-IRXDYDNUSA-N 0 1 384.480 3.828 20 5 GHBDMN COc1ccc(CN2CCC(CCC(=O)OC(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC001195970498 872775675 /nfs/dbraw/zinc/77/56/75/872775675.db2.gz NQSMSKYNJIUWID-UHFFFAOYSA-N 0 1 378.469 3.937 20 5 GHBDMN Cc1ccc(NC(=O)[C@H](N[C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)c2ccccc2)c([N+](=O)[O-])c1 ZINC001196886865 873430004 /nfs/dbraw/zinc/43/00/04/873430004.db2.gz CGPVBOOBYPMYRG-XKPOPYSVSA-N 0 1 397.475 3.985 20 5 GHBDMN CN(CCOC(=O)c1ccc([N+](=O)[O-])c2cccnc12)Cc1ccc(F)cc1 ZINC000769131002 873831926 /nfs/dbraw/zinc/83/19/26/873831926.db2.gz LYKFGMGSRIXXMN-UHFFFAOYSA-N 0 1 383.379 3.571 20 5 GHBDMN CCc1ccc([C@H](NCCc2cccc(C(N)=O)c2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541566519 873842079 /nfs/dbraw/zinc/84/20/79/873842079.db2.gz YAJDCYFRBKLQJS-OAQYLSRUSA-N 0 1 393.443 3.771 20 5 GHBDMN Cc1cccc2nc(CNc3ncc([N+](=O)[O-])c(C)c3Br)[nH]c21 ZINC000541578177 873898432 /nfs/dbraw/zinc/89/84/32/873898432.db2.gz HOKYMXYSOPYTTA-UHFFFAOYSA-N 0 1 376.214 3.858 20 5 GHBDMN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)N1CCN(C2CCCC2)CC1 ZINC000541587178 873931365 /nfs/dbraw/zinc/93/13/65/873931365.db2.gz UOYAWJLOJOTXAG-UHFFFAOYSA-N 0 1 386.374 3.706 20 5 GHBDMN O=C(Nc1cc(Br)ccc1NC1CC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000476675810 882833654 /nfs/dbraw/zinc/83/36/54/882833654.db2.gz QKFDSKJIBHBULR-UHFFFAOYSA-N 0 1 392.209 3.890 20 5 GHBDMN O=C(CCN1CC[C@H](Oc2ccccc2Cl)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000443660733 874766482 /nfs/dbraw/zinc/76/64/82/874766482.db2.gz RHTZEQSBALSWQD-INIZCTEOSA-N 0 1 389.839 3.730 20 5 GHBDMN CC(C)(C)O[C@@H]1C[C@@H](NCc2ccc([N+](=O)[O-])cc2Cl)[C@H]1n1cccn1 ZINC000449657520 875195491 /nfs/dbraw/zinc/19/54/91/875195491.db2.gz PLJHUNVBDSOADH-BRWVUGGUSA-N 0 1 378.860 3.732 20 5 GHBDMN CC(C)CN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C[C@H](O)c1ccc(F)cc1 ZINC000776099632 875338656 /nfs/dbraw/zinc/33/86/56/875338656.db2.gz BJCVJWYOYSNDOQ-IBGZPJMESA-N 0 1 386.427 3.802 20 5 GHBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@@H](C)c1ccc2c(c1)CC(=O)N2C ZINC000271814438 875511515 /nfs/dbraw/zinc/51/15/15/875511515.db2.gz MTEPIQJAWTZGMY-AWEZNQCLSA-N 0 1 383.448 3.752 20 5 GHBDMN COc1cccc(-c2nc(C)c(C(=O)OCc3cc(F)ccc3[N+](=O)[O-])[nH]2)c1 ZINC000772094137 875673273 /nfs/dbraw/zinc/67/32/73/875673273.db2.gz ITWANIHUGHXBCC-UHFFFAOYSA-N 0 1 385.351 3.798 20 5 GHBDMN CN1CC[C@H](NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000450280399 876213181 /nfs/dbraw/zinc/21/31/81/876213181.db2.gz YFRGAEZHBOWBOF-RDJZCZTQSA-N 0 1 393.365 3.789 20 5 GHBDMN O=C(Nc1nc2ccc(F)cc2[nH]1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000785876380 876286019 /nfs/dbraw/zinc/28/60/19/876286019.db2.gz NMTCHBJCEBNJJS-UHFFFAOYSA-N 0 1 379.145 3.625 20 5 GHBDMN COc1cc(CN[C@@H]2COC3(CCC3)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000850367910 876856628 /nfs/dbraw/zinc/85/66/28/876856628.db2.gz RSFLXQOSMUEHQN-SFHVURJKSA-N 0 1 398.459 3.984 20 5 GHBDMN CC(C)(C)CCN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000610061719 877345899 /nfs/dbraw/zinc/34/58/99/877345899.db2.gz WMNDWRKVUVGYGY-UHFFFAOYSA-N 0 1 398.301 3.551 20 5 GHBDMN C[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)N(C)Cc1nc2ccccc2s1 ZINC000451102137 877393735 /nfs/dbraw/zinc/39/37/35/877393735.db2.gz HTSOACXETQHGJB-UONOGXRCSA-N 0 1 398.488 3.902 20 5 GHBDMN COc1cc(CN2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)ccc1[N+](=O)[O-] ZINC000492849187 877637294 /nfs/dbraw/zinc/63/72/94/877637294.db2.gz AVUCJEYNMDLPHT-KRWDZBQOSA-N 0 1 379.420 3.726 20 5 GHBDMN COc1cc(CN2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)ccc1[N+](=O)[O-] ZINC000492849187 877637301 /nfs/dbraw/zinc/63/73/01/877637301.db2.gz AVUCJEYNMDLPHT-KRWDZBQOSA-N 0 1 379.420 3.726 20 5 GHBDMN Cc1c(C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000179828027 878067774 /nfs/dbraw/zinc/06/77/74/878067774.db2.gz LKIUYZKUKFFQCP-UHFFFAOYSA-N 0 1 391.290 3.878 20 5 GHBDMN Cc1noc(CN2CC3(C[C@@H]2C)CCN(C(=O)OC(C)(C)C)CC3)c1[N+](=O)[O-] ZINC000852191838 878129518 /nfs/dbraw/zinc/12/95/18/878129518.db2.gz LALKQUDZSBVSRZ-ZDUSSCGKSA-N 0 1 394.472 3.503 20 5 GHBDMN CC(C)(C)OC(=O)NCCC1CCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000852213948 878145018 /nfs/dbraw/zinc/14/50/18/878145018.db2.gz QSUVTNLYBTXBOG-UHFFFAOYSA-N 0 1 381.448 3.861 20 5 GHBDMN COc1ccc([C@H](CN2CCCC2)NC(=O)c2cc([N+](=O)[O-])c(C)s2)cc1 ZINC000537729032 878177948 /nfs/dbraw/zinc/17/79/48/878177948.db2.gz BIBODAWXQCDSEL-INIZCTEOSA-N 0 1 389.477 3.540 20 5 GHBDMN O=c1oc2cccc([N+](=O)[O-])c2n1CN1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC000795682459 912330629 /nfs/dbraw/zinc/33/06/29/912330629.db2.gz XLAMTLOPEZDWFC-BRWVUGGUSA-N 0 1 379.416 3.728 20 5 GHBDMN O=[N+]([O-])c1ccc([C@@H](O)CN2CCc3nc(-c4ccccc4)sc3C2)cc1 ZINC000852476265 878362083 /nfs/dbraw/zinc/36/20/83/878362083.db2.gz JXXXLWRUZMLFAV-SFHVURJKSA-N 0 1 381.457 3.810 20 5 GHBDMN O=C(NCCOc1ccc([N+](=O)[O-])cc1)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000537880675 878448314 /nfs/dbraw/zinc/44/83/14/878448314.db2.gz DQZIUIAMRCYCDJ-UHFFFAOYSA-N 0 1 391.334 3.609 20 5 GHBDMN O=C(OCc1nc2ccc(Br)cc2[nH]1)c1ccc([N+](=O)[O-])c(F)c1 ZINC000789046566 878528296 /nfs/dbraw/zinc/52/82/96/878528296.db2.gz UYCXYOMQOKGDRH-UHFFFAOYSA-N 0 1 394.156 3.730 20 5 GHBDMN Cc1ccc([N+](=O)[O-])c(C)c1NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000180161579 878623849 /nfs/dbraw/zinc/62/38/49/878623849.db2.gz SFURNRQDXWHPKU-UHFFFAOYSA-N 0 1 385.785 3.574 20 5 GHBDMN C[C@@H](C(=O)O[C@@H](CN(C)C)c1cc(F)c(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000853212135 878893948 /nfs/dbraw/zinc/89/39/48/878893948.db2.gz AAQPFYFHODAYPN-DIFFPNOSSA-N 0 1 396.365 3.962 20 5 GHBDMN CN1C(=O)C[C@@H](NCc2ccc([N+](=O)[O-])c(Cl)c2)[C@H]1c1ccc(Cl)cc1 ZINC000761525928 879247522 /nfs/dbraw/zinc/24/75/22/879247522.db2.gz FORLXPHVBLHUDJ-CRAIPNDOSA-N 0 1 394.258 3.963 20 5 GHBDMN C[C@H](NC(=O)OC(C)(C)C)C1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000790080946 879423762 /nfs/dbraw/zinc/42/37/62/879423762.db2.gz QQEKROMYXMEIQH-ZDUSSCGKSA-N 0 1 381.448 3.859 20 5 GHBDMN O=C(N[C@@H]1CCc2nc[nH]c2C1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000493440299 879436300 /nfs/dbraw/zinc/43/63/00/879436300.db2.gz SOUOUDUXXCUTSJ-CQSZACIVSA-N 0 1 394.456 3.756 20 5 GHBDMN COc1cc(CNc2ccc(OCc3ccccc3)nc2)cc([N+](=O)[O-])c1O ZINC000538608046 879845812 /nfs/dbraw/zinc/84/58/12/879845812.db2.gz RWXYCCLMDUWYRH-UHFFFAOYSA-N 0 1 381.388 3.895 20 5 GHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc3[nH]ccc3c2)cc1Br ZINC000112850695 880186982 /nfs/dbraw/zinc/18/69/82/880186982.db2.gz HSVIIRBYKVUONB-UHFFFAOYSA-N 0 1 396.222 3.639 20 5 GHBDMN Cc1c(NS(=O)(=O)c2cccc3c2cccc3N(C)C)cccc1[N+](=O)[O-] ZINC000791108457 880212091 /nfs/dbraw/zinc/21/20/91/880212091.db2.gz HBYDJTZTHYHJKW-UHFFFAOYSA-N 0 1 385.445 3.923 20 5 GHBDMN CCOC(=O)c1cnn(C2CCN([C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)CC2)c1 ZINC000453280732 880723608 /nfs/dbraw/zinc/72/36/08/880723608.db2.gz MASIYLBSRWMWNA-HNNXBMFYSA-N 0 1 386.452 3.675 20 5 GHBDMN CCn1cc([C@@H](O)C[N@@H+](Cc2ccccc2)Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC000792185275 880972378 /nfs/dbraw/zinc/97/23/78/880972378.db2.gz CXZFUYVZFPAECT-NRFANRHFSA-N 0 1 380.448 3.547 20 5 GHBDMN CCn1cc([C@@H](O)CN(Cc2ccccc2)Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC000792185275 880972395 /nfs/dbraw/zinc/97/23/95/880972395.db2.gz CXZFUYVZFPAECT-NRFANRHFSA-N 0 1 380.448 3.547 20 5 GHBDMN CCCN1CCN(c2ccc(Nc3ccc([N+](=O)[O-])cn3)cc2Cl)CC1 ZINC000919964401 881292218 /nfs/dbraw/zinc/29/22/18/881292218.db2.gz IDMBENATMYCISZ-UHFFFAOYSA-N 0 1 375.860 3.919 20 5 GHBDMN O=C(NC1CCN(Cc2ccccn2)CC1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000858569945 883205919 /nfs/dbraw/zinc/20/59/19/883205919.db2.gz CRFAOVFHRSSTPK-UHFFFAOYSA-N 0 1 390.443 3.537 20 5 GHBDMN CCCc1[nH]nc(C(=O)N2CCC(C(=O)c3ccc(C)cc3C)CC2)c1[N+](=O)[O-] ZINC000609473633 883236407 /nfs/dbraw/zinc/23/64/07/883236407.db2.gz PPUPAFVNJHOEMZ-UHFFFAOYSA-N 0 1 398.463 3.622 20 5 GHBDMN C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000609535255 883323747 /nfs/dbraw/zinc/32/37/47/883323747.db2.gz BHJAJJNETLACLW-JTQLQIEISA-N 0 1 392.337 3.851 20 5 GHBDMN O=C(Nc1cc(Cl)c(O)cc1F)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000805255670 883720691 /nfs/dbraw/zinc/72/06/91/883720691.db2.gz WCDQWXFOVCMWKI-UHFFFAOYSA-N 0 1 379.775 3.945 20 5 GHBDMN Cc1cccc(N2CCN(CCCNc3ncc([N+](=O)[O-])cc3Cl)CC2)c1 ZINC000609891576 883799907 /nfs/dbraw/zinc/79/99/07/883799907.db2.gz IYWPMUXDXGWLJG-UHFFFAOYSA-N 0 1 389.887 3.576 20 5 GHBDMN COc1ccc(-c2n[nH]c(Sc3ncc([N+](=O)[O-])cc3Cl)n2)c(OC)c1 ZINC000609892186 883800402 /nfs/dbraw/zinc/80/04/02/883800402.db2.gz PLZWVKNEVPOORY-UHFFFAOYSA-N 0 1 393.812 3.597 20 5 GHBDMN CN(CCC(=O)Nc1cccc(Br)c1)Cc1ccccc1[N+](=O)[O-] ZINC000609894466 883805552 /nfs/dbraw/zinc/80/55/52/883805552.db2.gz PJUPORJNXQPBSO-UHFFFAOYSA-N 0 1 392.253 3.818 20 5 GHBDMN Cc1nc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)n[nH]1 ZINC000286524394 912790908 /nfs/dbraw/zinc/79/09/08/912790908.db2.gz YAERIFBLMPYIPK-LLVKDONJSA-N 0 1 389.481 3.795 20 5 GHBDMN COc1ccc(NC(=O)[C@@H](C)N2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000859930036 884179890 /nfs/dbraw/zinc/17/98/90/884179890.db2.gz PDMQALXFAOPVGD-TWKWOARYSA-N 0 1 395.459 3.666 20 5 GHBDMN Cc1cc(C)n(-c2ccccc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)n1 ZINC000032086590 884204435 /nfs/dbraw/zinc/20/44/35/884204435.db2.gz UKYFUHCVVDDXFN-UHFFFAOYSA-N 0 1 386.433 3.507 20 5 GHBDMN COc1c(C(=O)N2CCN(C3CCC(C(C)C)CC3)CC2)cccc1[N+](=O)[O-] ZINC000476300099 884351679 /nfs/dbraw/zinc/35/16/79/884351679.db2.gz MPDQXXFAIYYDJT-UHFFFAOYSA-N 0 1 389.496 3.576 20 5 GHBDMN COc1cccc([C@@H](O)C2CCN(Cc3ccc(OC)c([N+](=O)[O-])c3)CC2)c1 ZINC000860143881 884366224 /nfs/dbraw/zinc/36/62/24/884366224.db2.gz SZYUWIATEFJYFB-NRFANRHFSA-N 0 1 386.448 3.558 20 5 GHBDMN COc1ccccc1C[C@H]1CCCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000476319423 884417547 /nfs/dbraw/zinc/41/75/47/884417547.db2.gz BQCVZVFHLLQISL-QGZVFWFLSA-N 0 1 394.431 3.861 20 5 GHBDMN COc1ccc(CNC(=O)c2cn[nH]c2-c2ccc(Cl)s2)cc1[N+](=O)[O-] ZINC000495132936 884649318 /nfs/dbraw/zinc/64/93/18/884649318.db2.gz OCIJOUJGNXYDPL-UHFFFAOYSA-N 0 1 392.824 3.638 20 5 GHBDMN O=C(N[C@H](c1ccc(F)cc1)C(F)(F)F)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000498876096 886006080 /nfs/dbraw/zinc/00/60/80/886006080.db2.gz VCBFMRRRMXLFJH-CQSZACIVSA-N 0 1 382.273 3.644 20 5 GHBDMN C[C@H]1[C@H](Cc2ccccc2)CCN1Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000747469303 886135176 /nfs/dbraw/zinc/13/51/76/886135176.db2.gz ZIXXLTYHVHDDRH-LPHOPBHVSA-N 0 1 377.448 3.764 20 5 GHBDMN COc1ccc(C[C@@H](C)CN[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000556883626 886444219 /nfs/dbraw/zinc/44/42/19/886444219.db2.gz FZGLJYUAKMQPEL-IERDGZPVSA-N 0 1 394.475 3.895 20 5 GHBDMN O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000127953040 887128955 /nfs/dbraw/zinc/12/89/55/887128955.db2.gz RLHBCFXWOAPQDH-SFHVURJKSA-N 0 1 391.431 3.676 20 5 GHBDMN O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000127953040 887128966 /nfs/dbraw/zinc/12/89/66/887128966.db2.gz RLHBCFXWOAPQDH-SFHVURJKSA-N 0 1 391.431 3.676 20 5 GHBDMN Cc1ccccc1C(=O)NC1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000153266908 887218750 /nfs/dbraw/zinc/21/87/50/887218750.db2.gz MNDANJRHHOSZHH-RMKNXTFCSA-N 0 1 379.460 3.811 20 5 GHBDMN COc1cc(-c2nc([C@@H](N)C(C)C)no2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000863656088 887266422 /nfs/dbraw/zinc/26/64/22/887266422.db2.gz IYOQJJIFUZVDAJ-SFHVURJKSA-N 0 1 398.419 3.888 20 5 GHBDMN O=[N+]([O-])c1cccc(N2CCN(C[C@@H](O)c3ccc4ccccc4c3)CC2)c1 ZINC000915680050 887313892 /nfs/dbraw/zinc/31/38/92/887313892.db2.gz ZZEBHRONAVAWAZ-JOCHJYFZSA-N 0 1 377.444 3.604 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(OCC(F)(F)F)c1 ZINC000032600049 887447992 /nfs/dbraw/zinc/44/79/92/887447992.db2.gz YEPIZMHBSDWJKF-UHFFFAOYSA-N 0 1 390.339 3.645 20 5 GHBDMN C[C@H](NCc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000809626514 887624420 /nfs/dbraw/zinc/62/44/20/887624420.db2.gz KSXYZOQQOUPDMG-MGPUTAFESA-N 0 1 389.883 3.627 20 5 GHBDMN CCN(Cc1ccc(C(=O)N(C)C)cc1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000153754182 887693790 /nfs/dbraw/zinc/69/37/90/887693790.db2.gz WNMSHWQCJUSQME-UHFFFAOYSA-N 0 1 375.856 3.972 20 5 GHBDMN O=[N+]([O-])c1ccc2c(c1)[C@H](NCc1ccncc1OC[C@@H]1CCOC1)CCC2 ZINC000287229017 913201157 /nfs/dbraw/zinc/20/11/57/913201157.db2.gz GNQGCHQMSQNZMJ-FOIQADDNSA-N 0 1 383.448 3.572 20 5 GHBDMN O=C(Nc1cccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1)c1ccccc1 ZINC000194181639 888089761 /nfs/dbraw/zinc/08/97/61/888089761.db2.gz SYXLJFNIEWFTDL-UHFFFAOYSA-N 0 1 397.412 3.648 20 5 GHBDMN CC[C@H](CC(C)C)C(=O)N(C)c1cc([N+](=O)[O-])cc(N2CCN(CC)CC2)c1 ZINC001132058340 888135469 /nfs/dbraw/zinc/13/54/69/888135469.db2.gz FFIROUGIWAWXTQ-QGZVFWFLSA-N 0 1 390.528 3.772 20 5 GHBDMN COc1ccc(CN2C[C@@H](C)[C@](C)(CNC(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000810163867 888254225 /nfs/dbraw/zinc/25/42/25/888254225.db2.gz LCEUZTKEGBALFR-JLTOFOAXSA-N 0 1 393.484 3.586 20 5 GHBDMN COc1cccc(C(=O)Nc2ccc3nc(-c4ccccn4)[nH]c3c2)c1[N+](=O)[O-] ZINC000194343926 888257174 /nfs/dbraw/zinc/25/71/74/888257174.db2.gz OURAFEDQEAICIX-UHFFFAOYSA-N 0 1 389.371 3.794 20 5 GHBDMN Cc1ccc(F)cc1NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000120550475 888332764 /nfs/dbraw/zinc/33/27/64/888332764.db2.gz GTLGVFYECSZPRF-UHFFFAOYSA-N 0 1 389.202 3.606 20 5 GHBDMN CCN(C(=O)c1n[nH]c(C)c1[N+](=O)[O-])[C@H](c1ccc(Cl)cc1)c1cccnc1 ZINC000496521020 888861348 /nfs/dbraw/zinc/86/13/48/888861348.db2.gz WPDDTHWBINHFKR-GOSISDBHSA-N 0 1 399.838 3.926 20 5 GHBDMN Cc1ccc([C@H](CNC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)N2CCCC2)o1 ZINC000454427653 889049997 /nfs/dbraw/zinc/04/99/97/889049997.db2.gz BLUVXVKVNLQSLX-YJBOKZPZSA-N 0 1 386.452 3.694 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(OCc2ccccc2)nc1 ZINC000533007619 889511643 /nfs/dbraw/zinc/51/16/43/889511643.db2.gz RKVJPMZSTJVBJU-UHFFFAOYSA-N 0 1 399.428 3.678 20 5 GHBDMN Cc1cccc2nc(CNC(=O)N3CCC[C@H](c4ccc([N+](=O)[O-])cc4)C3)[nH]c21 ZINC000454737238 889651612 /nfs/dbraw/zinc/65/16/12/889651612.db2.gz CGBKBUOZSFXNSI-INIZCTEOSA-N 0 1 393.447 3.869 20 5 GHBDMN CCN1CC[C@H]1CNC(=O)c1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC001133015047 889978601 /nfs/dbraw/zinc/97/86/01/889978601.db2.gz UQVBLAQDZRGUPT-INIZCTEOSA-N 0 1 385.489 3.878 20 5 GHBDMN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2NCc2nc(-c3ccncc3)cs2)n1 ZINC000872121742 891167428 /nfs/dbraw/zinc/16/74/28/891167428.db2.gz OMCAILIZJNEKOL-GDBMZVCRSA-N 0 1 384.465 3.583 20 5 GHBDMN CC(C)(C)OC(=O)N1CCC2(C[C@H]2NCc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000813787318 891972141 /nfs/dbraw/zinc/97/21/41/891972141.db2.gz ZRTXQCVLPUYFGB-MRXNPFEDSA-N 0 1 379.432 3.613 20 5 GHBDMN Cc1ccc(/C=C/S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 ZINC000917738827 892452622 /nfs/dbraw/zinc/45/26/22/892452622.db2.gz CTKOHVGWLHKOHP-CMDGGOBGSA-N 0 1 384.360 3.917 20 5 GHBDMN COc1cccc([C@@H]2[C@H](NC(=O)c3c(C)cccc3[N+](=O)[O-])CCN2C2CC2)c1 ZINC000192456389 892465997 /nfs/dbraw/zinc/46/59/97/892465997.db2.gz LBXBWNKTHVGRQV-WIYYLYMNSA-N 0 1 395.459 3.620 20 5 GHBDMN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)OCc1nnc(C(C)(C)C)[nH]1 ZINC000814464745 892732988 /nfs/dbraw/zinc/73/29/88/892732988.db2.gz OXCLFCNMWISABY-UHFFFAOYSA-N 0 1 378.454 3.868 20 5 GHBDMN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)OCc1n[nH]c(C(C)(C)C)n1 ZINC000814464745 892732997 /nfs/dbraw/zinc/73/29/97/892732997.db2.gz OXCLFCNMWISABY-UHFFFAOYSA-N 0 1 378.454 3.868 20 5 GHBDMN CN1CCN(c2ccc([N+](=O)[O-])c(NC(=O)C(C3CCC3)C3CCC3)c2)CC1 ZINC001134415771 892826891 /nfs/dbraw/zinc/82/68/91/892826891.db2.gz DFNXTBHCBNFSTN-UHFFFAOYSA-N 0 1 386.496 3.502 20 5 GHBDMN CN1CCN(c2ccc([N+](=O)[O-])c(NC(=O)C3[C@@H]4CCCCCC[C@@H]34)c2)CC1 ZINC001134416048 892827413 /nfs/dbraw/zinc/82/74/13/892827413.db2.gz NOOZQYFBATUQIA-IAGOWNOFSA-N 0 1 386.496 3.502 20 5 GHBDMN CC(C)(C)OC(=O)N1C[C@@H]2CCN(Cc3ccc([N+](=O)[O-])c(F)c3)CC[C@@H]2C1 ZINC000814678031 893062086 /nfs/dbraw/zinc/06/20/86/893062086.db2.gz KPDFYYVOUKYQCT-IYBDPMFKSA-N 0 1 393.459 3.813 20 5 GHBDMN O=[N+]([O-])c1cnn(C2CC(NCc3csc(CCc4ccccc4)n3)C2)c1 ZINC000877158713 893512068 /nfs/dbraw/zinc/51/20/68/893512068.db2.gz LPFHGFGLHVNKRQ-UHFFFAOYSA-N 0 1 383.477 3.526 20 5 GHBDMN CC(C)Cn1cc([C@H]2N(CCc3ccc([N+](=O)[O-])cc3)CC23CCOCC3)cn1 ZINC000877633052 893734377 /nfs/dbraw/zinc/73/43/77/893734377.db2.gz XOOAVAPLNHPZKA-OAQYLSRUSA-N 0 1 398.507 3.844 20 5 GHBDMN Cc1ccc(CN[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c(OC[C@H]2CCOC2)c1 ZINC000815587804 894027372 /nfs/dbraw/zinc/02/73/72/894027372.db2.gz UCWHFTIEABXFBW-HOTGVXAUSA-N 0 1 385.464 3.752 20 5 GHBDMN CN(C)[C@@H]1CCOc2c(NC(=O)[C@@H]3C[C@H]3c3cccc([N+](=O)[O-])c3)cccc21 ZINC000935718680 894753501 /nfs/dbraw/zinc/75/35/01/894753501.db2.gz WOKJDDDTNHUVDP-YQVWRLOYSA-N 0 1 381.432 3.722 20 5 GHBDMN CN(C)[C@@H]1CCOc2c(NC(=O)[C@H]3C[C@H]3c3cccc([N+](=O)[O-])c3)cccc21 ZINC000935718679 894753750 /nfs/dbraw/zinc/75/37/50/894753750.db2.gz WOKJDDDTNHUVDP-JENIJYKNSA-N 0 1 381.432 3.722 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1CN1CCC2(CCN2C(=O)OC(C)(C)C)CC1 ZINC000817417772 895593760 /nfs/dbraw/zinc/59/37/60/895593760.db2.gz TXRSRJUEOVJOQZ-UHFFFAOYSA-N 0 1 375.469 3.879 20 5 GHBDMN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1CCCO[C@H](c2ccccc2)C1 ZINC001136684812 898880436 /nfs/dbraw/zinc/88/04/36/898880436.db2.gz ZHVFLZKBNIRZOT-FQEVSTJZSA-N 0 1 392.415 3.589 20 5 GHBDMN Cc1[nH]nc(C(=O)N2CC[C@H](C)[C@H]2c2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-] ZINC000331454558 898904207 /nfs/dbraw/zinc/90/42/07/898904207.db2.gz AECHXBCUFVNHGR-XPTSAGLGSA-N 0 1 382.342 3.868 20 5 GHBDMN O=C(NC(CCc1ccccc1)CCc1ccccc1)c1n[nH]cc1[N+](=O)[O-] ZINC000155642469 898965071 /nfs/dbraw/zinc/96/50/71/898965071.db2.gz HJGTVWSZWWDBLH-UHFFFAOYSA-N 0 1 378.432 3.682 20 5 GHBDMN COc1ccc(C[C@H]2CCCN([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000570984051 899701836 /nfs/dbraw/zinc/70/18/36/899701836.db2.gz BDZXKHNHMKSRRI-FUHWJXTLSA-N 0 1 397.475 3.885 20 5 GHBDMN C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000844210699 900605680 /nfs/dbraw/zinc/60/56/80/900605680.db2.gz YWBKIDAECZIVGJ-HZEJSKIFSA-N 0 1 381.432 3.625 20 5 GHBDMN O=C([O-])/C=C/c1ccc(NC[C@H]2CCC[N@H+]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000844211793 900605778 /nfs/dbraw/zinc/60/57/78/900605778.db2.gz ZHPGVDVKDYLUHE-SXAWMYDMSA-N 0 1 381.432 3.769 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2nc(CN3CCCN4c5ccccc5C[C@@H]4C3)co2)cc1 ZINC000576506234 902065768 /nfs/dbraw/zinc/06/57/68/902065768.db2.gz NMTVLZUZPZWYSV-HXUWFJFHSA-N 0 1 390.443 3.887 20 5 GHBDMN CC[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(OC)c2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000778950442 902097631 /nfs/dbraw/zinc/09/76/31/902097631.db2.gz KHTSBPMWSZWQQI-CVEARBPZSA-N 0 1 393.484 3.729 20 5 GHBDMN Cc1c(CC(=O)N2CCN(Cc3ccccc3)C(C)(C)C2)cccc1[N+](=O)[O-] ZINC001144496803 902257571 /nfs/dbraw/zinc/25/75/71/902257571.db2.gz HUIYJWOVIZFJHG-UHFFFAOYSA-N 0 1 381.476 3.569 20 5 GHBDMN CCc1[nH]nc(C(=O)N2CCC(Oc3ccc(C(C)C)cc3)CC2)c1[N+](=O)[O-] ZINC000578310041 903722818 /nfs/dbraw/zinc/72/28/18/903722818.db2.gz XIAFZAXQIDRATP-UHFFFAOYSA-N 0 1 386.452 3.687 20 5 GHBDMN CCCNC(=O)c1cccc(CN[C@@H](C)c2ccc(OCC)c([N+](=O)[O-])c2)c1 ZINC000152978089 904316402 /nfs/dbraw/zinc/31/64/02/904316402.db2.gz WCYPVPLINXYKPN-HNNXBMFYSA-N 0 1 385.464 3.984 20 5 GHBDMN CC[C@H](CSc1ccccc1[N+](=O)[O-])NCc1cn(-c2ccccc2)nn1 ZINC000773037412 904392609 /nfs/dbraw/zinc/39/26/09/904392609.db2.gz UZOBNNIHHFZLSD-OAHLLOKOSA-N 0 1 383.477 3.836 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CC[C@H](Oc3ccc(C)cn3)C2)c1F ZINC001173193620 906278284 /nfs/dbraw/zinc/27/82/84/906278284.db2.gz UQZYXAWHQIAOCK-GJZGRUSLSA-N 0 1 389.427 3.530 20 5 GHBDMN CC1([C@H]2CCCN(Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C2)OCCO1 ZINC000183245099 907356589 /nfs/dbraw/zinc/35/65/89/907356589.db2.gz GMHLGJHTEVOBDN-HNNXBMFYSA-N 0 1 389.477 3.693 20 5 GHBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2C[C@@H]3CCC[C@]3(CO)C2)cc1OC ZINC001175293065 907464709 /nfs/dbraw/zinc/46/47/09/907464709.db2.gz WWGMUFPVWWRFEN-HZUJVAHNSA-N 0 1 392.496 3.623 20 5 GHBDMN CC(C)(C)OC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC001175576512 907642479 /nfs/dbraw/zinc/64/24/79/907642479.db2.gz DWXYVISOZXQBRE-PBHICJAKSA-N 0 1 391.468 3.522 20 5 GHBDMN C[C@@H]1C[N@@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C[C@@]1(C)C(=O)[O-] ZINC000901544305 921341909 /nfs/dbraw/zinc/34/19/09/921341909.db2.gz OCWKUZQQVPNMTK-QVKFZJNVSA-N 0 1 383.448 3.905 20 5 GHBDMN CN(C[C@H]1CCCCN1CCOc1ccccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC001175774294 907737274 /nfs/dbraw/zinc/73/72/74/907737274.db2.gz CJDNQFVAJMDVMB-MRXNPFEDSA-N 0 1 393.484 3.695 20 5 GHBDMN CC(C)(C)OC(=O)N1CCC2(CCN(Cc3c(F)cccc3[N+](=O)[O-])C2)CC1 ZINC000773633843 908514410 /nfs/dbraw/zinc/51/44/10/908514410.db2.gz ZJANGXIQITYLFL-UHFFFAOYSA-N 0 1 393.459 3.957 20 5 GHBDMN COc1ccc(C(=O)N2CCC[C@H](c3nc4ccc(C)cc4[nH]3)C2)cc1[N+](=O)[O-] ZINC000299537701 921424940 /nfs/dbraw/zinc/42/49/40/921424940.db2.gz IDVAQTKWVKYYSZ-HNNXBMFYSA-N 0 1 394.431 3.808 20 5 GHBDMN Cc1ccc2nc([C@@H]3CCCN3C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)[nH]c2c1 ZINC000195374953 909003143 /nfs/dbraw/zinc/00/31/43/909003143.db2.gz BYZDLNMJVVRZCV-KRWDZBQOSA-N 0 1 395.375 3.665 20 5 GHBDMN CCN(CCNCc1c(Br)cccc1[N+](=O)[O-])CCC(F)(F)F ZINC001178473044 909072147 /nfs/dbraw/zinc/07/21/47/909072147.db2.gz MJGABSBCVFQGOD-UHFFFAOYSA-N 0 1 398.223 3.721 20 5 GHBDMN COc1ccc(CN[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)cc1OCC(C)C ZINC001179353089 909479738 /nfs/dbraw/zinc/47/97/38/909479738.db2.gz NCXILMUHCSWQIV-NRFANRHFSA-N 0 1 388.464 3.636 20 5 GHBDMN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)Nc2ccc(F)c([C@H](C)O)c2)c1 ZINC000795381274 910118343 /nfs/dbraw/zinc/11/83/43/910118343.db2.gz ORFQJZHCYBRIDX-VIFPVBQESA-N 0 1 388.804 3.550 20 5 GHBDMN O=C([O-])[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000901787741 921565932 /nfs/dbraw/zinc/56/59/32/921565932.db2.gz RGSULCKWWQFFAB-MRXNPFEDSA-N 0 1 384.310 3.694 20 5 GHBDMN O=C(N[C@H]1CCCc2cn[nH]c21)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000269677006 910331612 /nfs/dbraw/zinc/33/16/12/910331612.db2.gz KAIKMINANDOTMJ-JTQLQIEISA-N 0 1 399.632 3.541 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N2CCCCC[C@H]2C[C@H](O)c2ccco2)c1[N+](=O)[O-] ZINC000269841569 910365352 /nfs/dbraw/zinc/36/53/52/910365352.db2.gz VNGYJWNINAHNIO-KBPBESRZSA-N 0 1 390.440 3.543 20 5 GHBDMN CC(C)(C)[C@@H]1CCN(CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)C1 ZINC000795451003 910378891 /nfs/dbraw/zinc/37/88/91/910378891.db2.gz PNCJBXILXKMZNF-GFCCVEGCSA-N 0 1 396.285 3.639 20 5 GHBDMN COC(=O)COc1ccc([C@@H](C)NCc2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000274458077 911341262 /nfs/dbraw/zinc/34/12/62/911341262.db2.gz LVEHIMGPPDAPAJ-GFCCVEGCSA-N 0 1 378.812 3.651 20 5 GHBDMN Cc1cc([C@H]2CCCN(C(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)n[nH]1 ZINC000283434697 911508948 /nfs/dbraw/zinc/50/89/48/911508948.db2.gz GMRIACHSICVYQQ-NSHDSACASA-N 0 1 382.342 3.665 20 5 GHBDMN CCS(=O)(=O)c1ccc([C@@H](C)NCc2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000283810533 911656397 /nfs/dbraw/zinc/65/63/97/911656397.db2.gz BMXIUJUSPUVUEE-GFCCVEGCSA-N 0 1 382.869 3.893 20 5 GHBDMN Cc1ccc(-c2n[nH]c(SCC(=O)Nc3cc([N+](=O)[O-])ccc3F)n2)cc1 ZINC000005868938 915998931 /nfs/dbraw/zinc/99/89/31/915998931.db2.gz VKOFKDBRTSGJPN-UHFFFAOYSA-N 0 1 387.396 3.558 20 5 GHBDMN Cc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])n2)cc1 ZINC000005867721 915999152 /nfs/dbraw/zinc/99/91/52/915999152.db2.gz RDJGPKMOJGUVTK-LBPRGKRZSA-N 0 1 383.433 3.808 20 5 GHBDMN Cc1c(CN[C@@H](C)c2cc(F)ccc2N2CCC(O)CC2)cccc1[N+](=O)[O-] ZINC000775357891 917144215 /nfs/dbraw/zinc/14/42/15/917144215.db2.gz YRTCWVQNXYOIEJ-HNNXBMFYSA-N 0 1 387.455 3.854 20 5 GHBDMN C[C@H](CN(C)C(=O)OC(C)(C)C)NCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC001203235744 917326535 /nfs/dbraw/zinc/32/65/35/917326535.db2.gz URUIADLSZFAKNM-LLVKDONJSA-N 0 1 389.399 3.541 20 5 GHBDMN CC(C)c1nnc(-c2ccccc2NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)[nH]1 ZINC000363629609 918562497 /nfs/dbraw/zinc/56/24/97/918562497.db2.gz BVMBPTKVOLAUSC-UHFFFAOYSA-N 0 1 391.391 3.632 20 5 GHBDMN CCOC(=O)c1ccc(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)cc1 ZINC000007418050 919213762 /nfs/dbraw/zinc/21/37/62/919213762.db2.gz YHBLLGZLTSOCCI-UHFFFAOYSA-N 0 1 398.824 3.534 20 5 GHBDMN Cc1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)nc2)cc1[N+](=O)[O-] ZINC000117334639 919537884 /nfs/dbraw/zinc/53/78/84/919537884.db2.gz OGNDGGSQDDKVKY-UHFFFAOYSA-N 0 1 385.401 3.891 20 5 GHBDMN C[C@@H](c1cc(F)ccc1F)N(C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000117335899 919538239 /nfs/dbraw/zinc/53/82/39/919538239.db2.gz ZXQMWSNBTVQVBQ-LBPRGKRZSA-N 0 1 391.374 3.864 20 5 GHBDMN CCCCCCNC(=O)[C@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000748316938 923569487 /nfs/dbraw/zinc/56/94/87/923569487.db2.gz JEVKVNNIYTYSOG-INIZCTEOSA-N 0 1 377.485 3.512 20 5 GHBDMN O=C(N[C@H]1CCCc2cn[nH]c21)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000373325121 926019297 /nfs/dbraw/zinc/01/92/97/926019297.db2.gz RXXSWSJNLPXLFE-SFHVURJKSA-N 0 1 392.415 3.704 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000757775458 929796048 /nfs/dbraw/zinc/79/60/48/929796048.db2.gz HMQVLOWPVGBSAT-AEFFLSMTSA-N 0 1 375.469 3.877 20 5 GHBDMN COc1ccc2c(c1)CN(C(=O)c1n[nH]c(C)c1[N+](=O)[O-])[C@@H](c1ccccc1)C2 ZINC000469455536 929909000 /nfs/dbraw/zinc/90/90/00/929909000.db2.gz WLAXHKGKWPMDAC-GOSISDBHSA-N 0 1 392.415 3.575 20 5 GHBDMN COc1ccc(NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)c2ncccc12 ZINC000546729025 930387574 /nfs/dbraw/zinc/38/75/74/930387574.db2.gz YCCPPPKZYRWWON-UHFFFAOYSA-N 0 1 387.417 3.569 20 5 GHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N(Cc1ccccc1)C[C@H](O)c1cccs1 ZINC000780629279 930563360 /nfs/dbraw/zinc/56/33/60/930563360.db2.gz OYVYQAZUPPNPBK-SFHVURJKSA-N 0 1 398.440 3.738 20 5 GHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC(Cc2ccc(F)c(F)c2)CC1 ZINC000470697296 930833752 /nfs/dbraw/zinc/83/37/52/930833752.db2.gz OQVRUTAZPAIJPB-UHFFFAOYSA-N 0 1 376.359 3.674 20 5 GHBDMN COc1cccc(-c2nc(C)c(C(=O)OCc3ccc([N+](=O)[O-])c(C)c3)[nH]2)c1 ZINC000781470913 930860320 /nfs/dbraw/zinc/86/03/20/930860320.db2.gz PXDNDFWHZYLANR-UHFFFAOYSA-N 0 1 381.388 3.967 20 5 GHBDMN NC(=O)c1cccc(NC[C@@H](c2ccccc2Cl)N2CCCC2)c1[N+](=O)[O-] ZINC000557477745 931459815 /nfs/dbraw/zinc/45/98/15/931459815.db2.gz HCLWTMCIKNTDLL-KRWDZBQOSA-N 0 1 388.855 3.596 20 5 GHBDMN COc1cccc([C@@H]2C[C@H](C)CN2Cn2nc(C)c3cc([N+](=O)[O-])cnc32)c1 ZINC000784006504 931751938 /nfs/dbraw/zinc/75/19/38/931751938.db2.gz GTNUROMURQFFRS-DJJJIMSYSA-N 0 1 381.436 3.697 20 5 GHBDMN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCc2cc(-c3ccccc3)oc2C1 ZINC000784184526 931808446 /nfs/dbraw/zinc/80/84/46/931808446.db2.gz GQLSRWIGDBPMBS-GOSISDBHSA-N 0 1 394.427 3.653 20 5 GHBDMN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCc2cc(-c3ccccc3)oc2C1 ZINC000784184530 931808720 /nfs/dbraw/zinc/80/87/20/931808720.db2.gz GQLSRWIGDBPMBS-SFHVURJKSA-N 0 1 394.427 3.653 20 5 GHBDMN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(Cc3ccc([N+](=O)[O-])cc3F)C[C@H]21 ZINC000784504588 931916522 /nfs/dbraw/zinc/91/65/22/931916522.db2.gz AHDVIHWJKFWXTR-MZMPZRCHSA-N 0 1 393.459 3.859 20 5 GHBDMN Cc1cc(OCC(=O)N[C@@H](C)c2nc3ccc(Cl)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000797450279 932288892 /nfs/dbraw/zinc/28/88/92/932288892.db2.gz IDIMCVHQIQYLTR-NSHDSACASA-N 0 1 388.811 3.689 20 5 GHBDMN Cc1cc(C(=O)N[C@H]2CCc3nc(C4CCCCC4)[nH]c3C2)cc([N+](=O)[O-])c1 ZINC000798249427 932576927 /nfs/dbraw/zinc/57/69/27/932576927.db2.gz LSYPXEBHOKDFKG-INIZCTEOSA-N 0 1 382.464 3.961 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H](CCNC(=O)OC(C)(C)C)C1 ZINC000799359537 932968826 /nfs/dbraw/zinc/96/88/26/932968826.db2.gz WICSNVMLOHXCQU-HNNXBMFYSA-N 0 1 393.484 3.730 20 5 GHBDMN O=[N+]([O-])c1ccccc1C[N@H+](CCOc1cccc(F)c1)[C@H]1CC[C@H](O)CC1 ZINC000828807385 935715748 /nfs/dbraw/zinc/71/57/48/935715748.db2.gz LYRUOGPNLXETMF-WGSAOQKQSA-N 0 1 388.439 3.918 20 5 GHBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@H](C)[C@@H](C(=O)[O-])C2)cc1OC ZINC001603511924 973509303 /nfs/dbraw/zinc/50/93/03/973509303.db2.gz AOAIBDKBJCOSAG-DZKIICNBSA-N 0 1 394.468 3.571 20 5 GHBDMN COc1ccc(C(=O)[O-])c2c1C[N@@H+](C/C(C)=C/c1cccc([N+](=O)[O-])c1)CC2 ZINC000901550983 980374960 /nfs/dbraw/zinc/37/49/60/980374960.db2.gz DLOUFBMWXMQKPT-GXDHUFHOSA-N 0 1 382.416 3.763 20 5 GHBDMN CC[N@H+](c1ccc(NCc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)cc1)C(C)C ZINC001596385557 983912608 /nfs/dbraw/zinc/91/26/08/983912608.db2.gz HTJJUWLSWGEMKK-UHFFFAOYSA-N 0 1 387.436 3.905 20 5 GHBDMN C[C@@H](C(=O)[O-])[C@H]([NH2+]Cc1c(Br)cccc1[N+](=O)[O-])c1ccccc1 ZINC001589467211 986924417 /nfs/dbraw/zinc/92/44/17/986924417.db2.gz BBKRTRUISAFRPN-BZNIZROVSA-N 0 1 393.237 3.909 20 5 GHBDMN C[C@@H]([NH2+][C@H](C(=O)[O-])c1ccccc1Br)c1ccccc1[N+](=O)[O-] ZINC001599841092 988831781 /nfs/dbraw/zinc/83/17/81/988831781.db2.gz LCRGLQVSMUGIGF-BMIGLBTASA-N 0 1 379.210 3.834 20 5 GHBDMN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCN1CC=C(C)CC1 ZINC000545161085 1015596710 /nfs/dbraw/zinc/59/67/10/1015596710.db2.gz JCPANLIEPRQYSA-UHFFFAOYSA-N 0 1 377.510 3.869 20 5 GHBDMN CN(C[C@H]1CCCC[N@H+]1Cc1ccccc1)c1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001598503238 992463585 /nfs/dbraw/zinc/46/35/85/992463585.db2.gz HXINBVHHHSXAFL-GOSISDBHSA-N 0 1 383.448 3.784 20 5 GHBDMN C[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC001598525905 992720432 /nfs/dbraw/zinc/72/04/32/992720432.db2.gz WATYVAIEIAZGCS-HNNXBMFYSA-N 0 1 388.729 3.923 20 5 GHBDMN C[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC001598525905 992720437 /nfs/dbraw/zinc/72/04/37/992720437.db2.gz WATYVAIEIAZGCS-HNNXBMFYSA-N 0 1 388.729 3.923 20 5 GHBDMN O=[N+]([O-])c1ccccc1[C@H](Oc1nc2[nH]cnc2c(=S)[nH]1)c1ccccc1 ZINC001226783130 1032126089 /nfs/dbraw/zinc/12/60/89/1032126089.db2.gz VOOAWVPXCIGPLD-OAHLLOKOSA-N 0 1 379.401 3.718 20 5 GHBDMN CCCCOc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)c(C)c1 ZINC000468780229 1016025334 /nfs/dbraw/zinc/02/53/34/1016025334.db2.gz BKNZOEIMLAELOY-UHFFFAOYSA-N 0 1 394.449 3.892 20 5 GHBDMN CCOc1ccc(C(=O)Nc2cccc3c2OCC[C@H]3N(C)C)cc1[N+](=O)[O-] ZINC000468924294 1016224877 /nfs/dbraw/zinc/22/48/77/1016224877.db2.gz JMCIMESYIKZQGW-MRXNPFEDSA-N 0 1 385.420 3.631 20 5 GHBDMN Cc1ccc2nc(=O)[nH]c(OC3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c2c1 ZINC001227348140 1032385138 /nfs/dbraw/zinc/38/51/38/1032385138.db2.gz BAZRKKRILGQMTC-UHFFFAOYSA-N 0 1 380.404 3.600 20 5 GHBDMN CC(=O)N1CCC[C@@H](Oc2ccc3c(c2)oc2c3c(=O)oc3cc(O)ccc23)C1 ZINC001227517348 1032449733 /nfs/dbraw/zinc/44/97/33/1032449733.db2.gz JDCSLUWRKFTOBE-OAHLLOKOSA-N 0 1 393.395 3.788 20 5 GHBDMN COc1ccccc1[C@@H](Oc1nc(SC)[nH]c(=O)c1[N+](=O)[O-])C(F)(F)F ZINC001227627441 1032491471 /nfs/dbraw/zinc/49/14/71/1032491471.db2.gz GFVLISQESFQNHM-SNVBAGLBSA-N 0 1 391.327 3.503 20 5 GHBDMN C[C@H](C(=O)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1)c1cccc([N+](=O)[O-])c1 ZINC000559374784 1017437370 /nfs/dbraw/zinc/43/73/70/1017437370.db2.gz KHDFQNSDKFNRCT-KSSFIOAISA-N 0 1 391.431 3.847 20 5 GHBDMN C[C@H](C(=O)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000559374784 1017437380 /nfs/dbraw/zinc/43/73/80/1017437380.db2.gz KHDFQNSDKFNRCT-KSSFIOAISA-N 0 1 391.431 3.847 20 5 GHBDMN C[C@@H](C(=O)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1)c1cccc([N+](=O)[O-])c1 ZINC000559374783 1017437646 /nfs/dbraw/zinc/43/76/46/1017437646.db2.gz KHDFQNSDKFNRCT-KDOFPFPSSA-N 0 1 391.431 3.847 20 5 GHBDMN C[C@@H](C(=O)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000559374783 1017437657 /nfs/dbraw/zinc/43/76/57/1017437657.db2.gz KHDFQNSDKFNRCT-KDOFPFPSSA-N 0 1 391.431 3.847 20 5 GHBDMN Cc1ccc(C[C@@H]2CCCN(C(=O)c3[nH]nc4ccc([N+](=O)[O-])cc43)C2)cc1 ZINC000571591406 1019691384 /nfs/dbraw/zinc/69/13/84/1019691384.db2.gz HKMLBMTWRANPKA-INIZCTEOSA-N 0 1 378.432 3.874 20 5 GHBDMN Cc1nn(C)c(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000047330957 1019993658 /nfs/dbraw/zinc/99/36/58/1019993658.db2.gz QBQOUNPNQGVRKL-UHFFFAOYSA-N 0 1 391.475 3.548 20 5 GHBDMN CSc1nc(Cl)c([N+](=O)[O-])c(N[C@@H](c2cccnc2)C(F)(F)F)n1 ZINC001156154133 1032903228 /nfs/dbraw/zinc/90/32/28/1032903228.db2.gz CNFJXXFBRUITJR-QMMMGPOBSA-N 0 1 379.751 3.871 20 5 GHBDMN Cc1cccc(C)c1NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000194141268 1020963038 /nfs/dbraw/zinc/96/30/38/1020963038.db2.gz IHNHVLNJCLKKHQ-UHFFFAOYSA-N 0 1 385.239 3.775 20 5 GHBDMN COc1ccccc1[C@@H](Oc1nc(C2CC2)[nH]c(=O)c1[N+](=O)[O-])C(F)(F)F ZINC001228610165 1033006417 /nfs/dbraw/zinc/00/64/17/1033006417.db2.gz QEXBRZJUFQEQFL-GFCCVEGCSA-N 0 1 385.298 3.659 20 5 GHBDMN COc1ccc(CN2CC[C@H](C)[C@@H](CNC(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000835068021 1021847007 /nfs/dbraw/zinc/84/70/07/1021847007.db2.gz CNOIITWXHXRITL-HOCLYGCPSA-N 0 1 393.484 3.586 20 5 GHBDMN C[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1csc2ccccc21 ZINC000754738364 1022871309 /nfs/dbraw/zinc/87/13/09/1022871309.db2.gz LQGCWHPLXYJFAN-CYBMUJFWSA-N 0 1 390.486 3.934 20 5 GHBDMN CC(C)n1cc([C@H](C)N[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cn1 ZINC000754804838 1022905907 /nfs/dbraw/zinc/90/59/07/1022905907.db2.gz DNJJGHLUIQWLBD-NWDGAFQWSA-N 0 1 379.848 3.703 20 5 GHBDMN Cc1ccc(C=CS(=O)(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)cc1 ZINC000754827968 1022917588 /nfs/dbraw/zinc/91/75/88/1022917588.db2.gz QHLVOGKRPSMSKL-MDZDMXLPSA-N 0 1 384.417 3.706 20 5 GHBDMN COc1ccc(OC[C@H](C)Oc2nc(C(F)(F)F)cc(O)c2[N+](=O)[O-])cc1 ZINC001228858134 1033141612 /nfs/dbraw/zinc/14/16/12/1033141612.db2.gz DABLOILCULLKEW-VIFPVBQESA-N 0 1 388.298 3.569 20 5 GHBDMN O=c1cc(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c2ccc(O)cc2o1 ZINC000831538526 1024629105 /nfs/dbraw/zinc/62/91/05/1024629105.db2.gz CVCMULLANSWTLJ-OAHLLOKOSA-N 0 1 380.400 3.786 20 5 GHBDMN O=c1cc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c2ccc([O-])cc2o1 ZINC000831538526 1024629113 /nfs/dbraw/zinc/62/91/13/1024629113.db2.gz CVCMULLANSWTLJ-OAHLLOKOSA-N 0 1 380.400 3.786 20 5 GHBDMN O=c1cc(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c2ccc([O-])cc2o1 ZINC000831538526 1024629118 /nfs/dbraw/zinc/62/91/18/1024629118.db2.gz CVCMULLANSWTLJ-OAHLLOKOSA-N 0 1 380.400 3.786 20 5 GHBDMN O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@H](c3cccc(Br)c3)C2)c1 ZINC000831594552 1024670664 /nfs/dbraw/zinc/67/06/64/1024670664.db2.gz VTSHKEUBURJETL-MAUKXSAKSA-N 0 1 391.265 3.880 20 5 GHBDMN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCc2nc[nH]c2[C@@H]1c1ccc(Cl)cc1 ZINC001162583053 1025809399 /nfs/dbraw/zinc/80/93/99/1025809399.db2.gz MJKXEJYQUAENNO-FQEVSTJZSA-N 0 1 396.834 3.688 20 5 GHBDMN NC(=O)[C@]1(c2ccccc2)CCN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000839644123 1026153834 /nfs/dbraw/zinc/15/38/34/1026153834.db2.gz USSXUNYKBKWVFA-GOSISDBHSA-N 0 1 394.258 3.531 20 5 GHBDMN COc1ccc([C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])c2ccc(C(F)(F)F)cc2)cc1 ZINC000839719977 1026227849 /nfs/dbraw/zinc/22/78/49/1026227849.db2.gz DRSPFLRRGSKSSN-BRWVUGGUSA-N 0 1 394.349 3.585 20 5 GHBDMN CC(C)c1nc(CC2CCN(C(=O)c3cccc(Cl)c3[N+](=O)[O-])CC2)n[nH]1 ZINC001164361605 1026495113 /nfs/dbraw/zinc/49/51/13/1026495113.db2.gz BHCTTWUDVDWCFO-UHFFFAOYSA-N 0 1 391.859 3.585 20 5 GHBDMN CC(C)c1nnc(CC2CCN(C(=O)c3cccc(Cl)c3[N+](=O)[O-])CC2)[nH]1 ZINC001164361605 1026495116 /nfs/dbraw/zinc/49/51/16/1026495116.db2.gz BHCTTWUDVDWCFO-UHFFFAOYSA-N 0 1 391.859 3.585 20 5 GHBDMN C[C@@H]1[C@H](C)N(Cc2ccccc2)[C@@H](C)CN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC001164480235 1026523061 /nfs/dbraw/zinc/52/30/61/1026523061.db2.gz OZOISILQTDCBGL-HRCADAONSA-N 0 1 385.439 3.857 20 5 GHBDMN CC(C)(C)OC(=O)NCCOc1ccc(Nc2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC001210398488 1027488603 /nfs/dbraw/zinc/48/86/03/1027488603.db2.gz KTXIITWEIQNYIZ-UHFFFAOYSA-N 0 1 389.408 3.948 20 5 GHBDMN O=[N+]([O-])c1cc(Nc2cc(C(F)(F)F)ccc2N2CCOCC2)ccc1O ZINC001210400120 1027490435 /nfs/dbraw/zinc/49/04/35/1027490435.db2.gz BEJSASJJDSGDTH-UHFFFAOYSA-N 0 1 383.326 3.899 20 5 GHBDMN Cc1cc([N+](=O)[O-])cc(C(=O)Nc2c(C3CC3)n[nH]c2-c2cccc(F)c2)n1 ZINC001142026237 1027913625 /nfs/dbraw/zinc/91/36/25/1027913625.db2.gz IYNMRFCCVQEWMK-UHFFFAOYSA-N 0 1 381.367 3.957 20 5 GHBDMN CC(C)(C)CCN1CCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC001142026638 1027913703 /nfs/dbraw/zinc/91/37/03/1027913703.db2.gz DZMPTOQIZRRCJS-UHFFFAOYSA-N 0 1 387.402 3.808 20 5 GHBDMN Brc1cc(-c2nc(-c3ccc4ccc5cccnc5c4n3)no2)[nH]n1 ZINC001213275102 1028082803 /nfs/dbraw/zinc/08/28/03/1028082803.db2.gz TVKMQUBTEPNSCD-UHFFFAOYSA-N 0 1 393.204 3.986 20 5 GHBDMN C[C@@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CCc2ccc(Cl)cc21 ZINC001461336740 1069506442 /nfs/dbraw/zinc/50/64/42/1069506442.db2.gz MMIUGKFNXAZCTN-LLVKDONJSA-N 0 1 384.823 3.927 20 5 GHBDMN Cc1cc(S(=O)(=O)N[C@H](c2cccc(Cl)c2)C(F)F)c([N+](=O)[O-])s1 ZINC001213509022 1028233489 /nfs/dbraw/zinc/23/34/89/1028233489.db2.gz FDJVFOLMBLPBJS-LLVKDONJSA-N 0 1 396.824 3.903 20 5 GHBDMN CC[C@H](N[C@H](C)C(=O)Nc1cccc(NC(C)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000178670648 1028607967 /nfs/dbraw/zinc/60/79/67/1028607967.db2.gz KKQGUAKKZOBCJY-YJYMSZOUSA-N 0 1 384.436 3.621 20 5 GHBDMN CN1CCN(c2cccc(-c3noc(-c4cccc([N+](=O)[O-])c4Cl)n3)c2)CC1 ZINC001215659968 1029331953 /nfs/dbraw/zinc/33/19/53/1029331953.db2.gz XCTVGAUAECNGCC-UHFFFAOYSA-N 0 1 399.838 3.717 20 5 GHBDMN O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC001216140775 1029540183 /nfs/dbraw/zinc/54/01/83/1029540183.db2.gz IGCKIWNYHUYSOO-ZDUSSCGKSA-N 0 1 386.374 3.752 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001216794594 1029939368 /nfs/dbraw/zinc/93/93/68/1029939368.db2.gz BDFQVURYCYHJLC-UHFFFAOYSA-N 0 1 398.463 3.732 20 5 GHBDMN COc1cc(Br)cc(-c2noc(-c3cc(O)cc([N+](=O)[O-])c3)n2)c1 ZINC001216924471 1030004614 /nfs/dbraw/zinc/00/46/14/1030004614.db2.gz LZIMEIPQACMTNO-UHFFFAOYSA-N 0 1 392.165 3.789 20 5 GHBDMN OCc1nc2cc(-c3nc(-c4ccc5ccc6cccnc6c5n4)no3)ccc2[nH]1 ZINC001217143243 1030193954 /nfs/dbraw/zinc/19/39/54/1030193954.db2.gz IZTUUVNOVFSTBX-UHFFFAOYSA-N 0 1 394.394 3.869 20 5 GHBDMN O=[N+]([O-])c1cccc(Br)c1CNC[C@@H]1Cc2ccccc2CO1 ZINC001461654168 1069660675 /nfs/dbraw/zinc/66/06/75/1069660675.db2.gz DFFZKYQMVSMBQN-AWEZNQCLSA-N 0 1 377.238 3.588 20 5 GHBDMN COC(=O)c1cc([N+](=O)[O-])ccc1CO[C@H]1CCCN([C@@H](C)c2ccccn2)C1 ZINC001223448017 1030578843 /nfs/dbraw/zinc/57/88/43/1030578843.db2.gz FBHJIQFCGCMZIS-YJBOKZPZSA-N 0 1 399.447 3.519 20 5 GHBDMN COC(=O)c1cccc(CO[C@@H]2CCCN([C@H](C)c3ccccn3)C2)c1[N+](=O)[O-] ZINC001223663013 1030692612 /nfs/dbraw/zinc/69/26/12/1030692612.db2.gz QKTYJKJHGCVCSQ-NVXWUHKLSA-N 0 1 399.447 3.519 20 5 GHBDMN Cc1ccc(C(=O)c2cc([O-])c(O[C@@H]3CCC[NH2+]C[C@@H]3C)c([N+](=O)[O-])c2)cc1 ZINC001217985548 1030705904 /nfs/dbraw/zinc/70/59/04/1030705904.db2.gz GSIOLOKQIHFMSO-IFXJQAMLSA-N 0 1 384.432 3.607 20 5 GHBDMN COC(=O)C1=C[C@H](O[C@@H](C)c2ccc([N+](=O)[O-])cc2)CN(Cc2ccccc2)C1 ZINC001224023033 1030853633 /nfs/dbraw/zinc/85/36/33/1030853633.db2.gz TWRSJEWFLMQDJT-KKSFZXQISA-N 0 1 396.443 3.656 20 5 GHBDMN Cc1ccc(C(=O)c2cc([O-])c(O[C@@H]3CC[NH2+]C4(CCC4)C3)c([N+](=O)[O-])c2)cc1 ZINC001218306273 1030882143 /nfs/dbraw/zinc/88/21/43/1030882143.db2.gz IMVWKCXVEZJGGX-QGZVFWFLSA-N 0 1 396.443 3.893 20 5 GHBDMN Cn1cc(C[C@H](N)C(=O)Nc2cc3cccnc3c3ncccc23)c2ccccc21 ZINC001218979849 1031191975 /nfs/dbraw/zinc/19/19/75/1031191975.db2.gz IUEHKGXZFKWDOC-IBGZPJMESA-N 0 1 395.466 3.783 20 5 GHBDMN C[N@@H+](CCc1cccc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])c1)C1CC1 ZINC001152807179 1031364379 /nfs/dbraw/zinc/36/43/79/1031364379.db2.gz XKBWKPGZEWNHAE-UHFFFAOYSA-N 0 1 389.839 3.843 20 5 GHBDMN O=C(c1c2ccccc2cc2ccccc21)N1C[C@H]2CN(CC3CC3)C[C@@H](C1)O2 ZINC001153488990 1031613824 /nfs/dbraw/zinc/61/38/24/1031613824.db2.gz KQBSHCMNLSVJBZ-OYRHEFFESA-N 0 1 386.495 3.928 20 5 GHBDMN CCOC(=O)C1=C(O)CCN(C(=O)c2c3ccccc3cc3ccccc32)CC1 ZINC001153492387 1031614138 /nfs/dbraw/zinc/61/41/38/1031614138.db2.gz RVAOXCJUOWMGMK-HXUWFJFHSA-N 0 1 389.451 3.977 20 5 GHBDMN CN(C)Cc1cc(F)ccc1O[C@H]1CCN(c2c(F)cccc2[N+](=O)[O-])C1 ZINC001229858848 1033758681 /nfs/dbraw/zinc/75/86/81/1033758681.db2.gz SPZIQYUHLQQJBK-HNNXBMFYSA-N 0 1 377.391 3.592 20 5 GHBDMN C[N@H+]1[C@@H]2C[C@@H](Oc3ccc(/C=C/c4ccc([N+](=O)[O-])cc4)cc3)[C@H]1CC(=O)C2 ZINC001229948911 1033810514 /nfs/dbraw/zinc/81/05/14/1033810514.db2.gz VNCUKAKMHWJWCI-LLUMYNGJSA-N 0 1 378.428 3.948 20 5 GHBDMN CN1[C@@H]2C[C@@H](Oc3ccc(/C=C/c4ccc([N+](=O)[O-])cc4)cc3)[C@H]1CC(=O)C2 ZINC001229948911 1033810520 /nfs/dbraw/zinc/81/05/20/1033810520.db2.gz VNCUKAKMHWJWCI-LLUMYNGJSA-N 0 1 378.428 3.948 20 5 GHBDMN Cc1cnc(CN)n1-c1cc(Oc2ccnc(Cl)c2)c(F)cc1[N+](=O)[O-] ZINC001158164584 1033946407 /nfs/dbraw/zinc/94/64/07/1033946407.db2.gz NJEIWKUIEVXZBH-UHFFFAOYSA-N 0 1 377.763 3.527 20 5 GHBDMN Cc1ccccc1CN1CCO[C@@H](CNCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001207197493 1034168329 /nfs/dbraw/zinc/16/83/29/1034168329.db2.gz QTWYZKMTONHMMO-IBGZPJMESA-N 0 1 389.883 3.547 20 5 GHBDMN COc1nccc2cc(NC(=O)c3cc(-c4ccc([N+](=O)[O-])cc4)n[nH]3)ccc21 ZINC001158711621 1034241417 /nfs/dbraw/zinc/24/14/17/1034241417.db2.gz SDNCUCFHFUDJIJ-UHFFFAOYSA-N 0 1 389.371 3.794 20 5 GHBDMN CCOC(=O)c1ccc(O[C@H]2CCC[N@H+]([C@H](C)c3ccccn3)C2)cc1[N+](=O)[O-] ZINC001230916903 1034285231 /nfs/dbraw/zinc/28/52/31/1034285231.db2.gz FUAFLLHVGNLEIX-WBVHZDCISA-N 0 1 399.447 3.771 20 5 GHBDMN CCOC(=O)c1ccc(O[C@H]2CCCN([C@H](C)c3ccccn3)C2)cc1[N+](=O)[O-] ZINC001230916903 1034285244 /nfs/dbraw/zinc/28/52/44/1034285244.db2.gz FUAFLLHVGNLEIX-WBVHZDCISA-N 0 1 399.447 3.771 20 5 GHBDMN C[N@H+]1CCC[C@@H](Oc2cc(C(F)(F)F)c(Br)cc2[N+](=O)[O-])C1 ZINC001234392892 1039998003 /nfs/dbraw/zinc/99/80/03/1039998003.db2.gz PCNHQXWOZFCEEY-MRVPVSSYSA-N 0 1 383.164 3.849 20 5 GHBDMN CN1CCC[C@@H](Oc2cc(C(F)(F)F)c(Br)cc2[N+](=O)[O-])C1 ZINC001234392892 1039998013 /nfs/dbraw/zinc/99/80/13/1039998013.db2.gz PCNHQXWOZFCEEY-MRVPVSSYSA-N 0 1 383.164 3.849 20 5 GHBDMN O=[N+]([O-])c1cc(Br)c(C(F)(F)F)cc1O[C@@H]1CN2CCC1CC2 ZINC001234392151 1039998055 /nfs/dbraw/zinc/99/80/55/1039998055.db2.gz DCOZNGZDLSZTNO-CYBMUJFWSA-N 0 1 395.175 3.849 20 5 GHBDMN CC[N@H+]1CC[C@H](Oc2cc(C(F)(F)F)c(Br)cc2[N+](=O)[O-])C1 ZINC001234393415 1039998106 /nfs/dbraw/zinc/99/81/06/1039998106.db2.gz WPARMWBBHNXGGT-QMMMGPOBSA-N 0 1 383.164 3.849 20 5 GHBDMN COc1ccc(F)c(F)c1CNC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254466614 1040252636 /nfs/dbraw/zinc/25/26/36/1040252636.db2.gz HVWDFUFYGYSALX-UHFFFAOYSA-N 0 1 377.391 3.640 20 5 GHBDMN O=[N+]([O-])c1ccc(N2CCC(N[C@H](c3ccccc3)c3cccnn3)CC2)cc1 ZINC001254476630 1040264233 /nfs/dbraw/zinc/26/42/33/1040264233.db2.gz UWIJSHCOBJKYJF-JOCHJYFZSA-N 0 1 389.459 3.733 20 5 GHBDMN O=[N+]([O-])c1ccc(N2CCC(N3CCOC[C@H]3Cc3ccccc3)CC2)cc1 ZINC001254480889 1040268179 /nfs/dbraw/zinc/26/81/79/1040268179.db2.gz NZCMFTPWVUIXTF-JOCHJYFZSA-N 0 1 381.476 3.507 20 5 GHBDMN CC(C)=CCc1c(O)cc(O[C@@H]2CCOC2=O)c2c(=O)c3cccc(O)c3oc12 ZINC001234741903 1040268819 /nfs/dbraw/zinc/26/88/19/1040268819.db2.gz SYEGKYUARHJSGS-MRXNPFEDSA-N 0 1 396.395 3.560 20 5 GHBDMN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001254564408 1040339378 /nfs/dbraw/zinc/33/93/78/1040339378.db2.gz LRGSCERHONBIEH-VYDXJSESSA-N 0 1 377.485 3.761 20 5 GHBDMN O=C(CN[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccc(F)c(C(F)(F)F)c1 ZINC001254583612 1040358525 /nfs/dbraw/zinc/35/85/25/1040358525.db2.gz ZXHGUZJPEUDUMX-CYBMUJFWSA-N 0 1 382.313 3.692 20 5 GHBDMN Cc1ccc(-c2nnc([C@H]3CC[N@@H+](Cc4ccccc4)C3)o2)c([N+](=O)[O-])c1[O-] ZINC001255486594 1041083229 /nfs/dbraw/zinc/08/32/29/1041083229.db2.gz JNMOPUFBDGOVSV-HNNXBMFYSA-N 0 1 380.404 3.648 20 5 GHBDMN COc1cccc2c1C[N@@H+](C1CCN(c3ccc([N+](=O)[O-])c(OC)c3)CC1)CC2 ZINC001256093144 1041522102 /nfs/dbraw/zinc/52/21/02/1041522102.db2.gz GVUOHWSSCBQAHI-UHFFFAOYSA-N 0 1 397.475 3.639 20 5 GHBDMN CC(C)(C)CCN1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC001291909009 1043526467 /nfs/dbraw/zinc/52/64/67/1043526467.db2.gz MENKPUVRHWDSBT-UHFFFAOYSA-N 0 1 398.301 3.551 20 5 GHBDMN CN1CCN(c2cc(-c3nnc(CCC4CCCCC4)o3)cc([N+](=O)[O-])c2)CC1 ZINC001256854530 1043703879 /nfs/dbraw/zinc/70/38/79/1043703879.db2.gz MGLKJWDQSHNJQY-UHFFFAOYSA-N 0 1 399.495 3.910 20 5 GHBDMN CCc1c(NC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)[nH]nc1-c1ccncc1 ZINC001292820942 1043896698 /nfs/dbraw/zinc/89/66/98/1043896698.db2.gz XOQJQEREFIRBPU-IAGOWNOFSA-N 0 1 377.404 3.685 20 5 GHBDMN CCOC(=O)c1c(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)sc(C)c1CC ZINC001293886873 1044362456 /nfs/dbraw/zinc/36/24/56/1044362456.db2.gz NQODKHSSTYCHEH-UHFFFAOYSA-N 0 1 378.406 3.662 20 5 GHBDMN CCCC[N@@H+](CC)Cc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC001294569231 1044709123 /nfs/dbraw/zinc/70/91/23/1044709123.db2.gz ANHJIJPUJGKDSJ-UHFFFAOYSA-N 0 1 385.464 3.852 20 5 GHBDMN O=C(Nc1c(-c2ccccc2)nc2n1CCCC2)c1cc(O)cc([N+](=O)[O-])c1 ZINC001300995878 1046280377 /nfs/dbraw/zinc/28/03/77/1046280377.db2.gz HDTMGHACKSGTOC-UHFFFAOYSA-N 0 1 378.388 3.753 20 5 GHBDMN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1nc2ccc(Cl)cc2[nH]1 ZINC001303337564 1047364071 /nfs/dbraw/zinc/36/40/71/1047364071.db2.gz BAZLAEKWCWFLPU-UHFFFAOYSA-N 0 1 397.778 3.690 20 5 GHBDMN CC[C@H](NCC(=O)NCc1cccc(OC(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000611403386 1047506795 /nfs/dbraw/zinc/50/67/95/1047506795.db2.gz JWYJSGPJBGPVFA-FQEVSTJZSA-N 0 1 385.464 3.739 20 5 GHBDMN CCOc1cc(N2CCN(CCCOCc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC001307734864 1049546896 /nfs/dbraw/zinc/54/68/96/1049546896.db2.gz UDSSJDKUIVXTFO-UHFFFAOYSA-N 0 1 399.491 3.722 20 5 GHBDMN COC[C@@H](C)N(Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])[C@H]1CCc2ccccc21 ZINC001307976681 1049735508 /nfs/dbraw/zinc/73/55/08/1049735508.db2.gz VDGXREBZSAGJCT-VFNWGFHPSA-N 0 1 398.459 3.906 20 5 GHBDMN C[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001308963560 1050225116 /nfs/dbraw/zinc/22/51/16/1050225116.db2.gz NHPUFPUEHINYET-TZMCWYRMSA-N 0 1 383.876 3.841 20 5 GHBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)N[C@H](c1cccc(Cl)c1)C1CCCC1 ZINC001309325487 1050594565 /nfs/dbraw/zinc/59/45/65/1050594565.db2.gz CZWMVDMYTNEQIJ-INIZCTEOSA-N 0 1 395.868 3.853 20 5 GHBDMN Cc1cc(CN2CCCN(Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)CC2)no1 ZINC001337025347 1052380294 /nfs/dbraw/zinc/38/02/94/1052380294.db2.gz CANDTKQWQWAIKE-UHFFFAOYSA-N 0 1 396.447 3.859 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1cc(-n2cccc2)ccc1F ZINC001318211556 1054501944 /nfs/dbraw/zinc/50/19/44/1054501944.db2.gz JBIIIUNZRTXCDL-UHFFFAOYSA-N 0 1 395.799 3.979 20 5 GHBDMN Cc1ccc(CNCc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)c(=O)n1C ZINC001321046288 1056070250 /nfs/dbraw/zinc/07/02/50/1056070250.db2.gz HIJFBPQRCQFEEZ-UHFFFAOYSA-N 0 1 387.823 3.805 20 5 GHBDMN CN1CCN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C2(CCCCC2)C1 ZINC001354440701 1056658684 /nfs/dbraw/zinc/65/86/84/1056658684.db2.gz JWXGQJDNVWEVCV-UHFFFAOYSA-N 0 1 379.888 3.658 20 5 GHBDMN Cc1nc([C@@H]2CCCN(c3ccc([N+](=O)[O-])cc3C(=O)c3ccccc3)C2)n[nH]1 ZINC001458284951 1063722287 /nfs/dbraw/zinc/72/22/87/1063722287.db2.gz IMYUUZXXVSWRQX-MRXNPFEDSA-N 0 1 391.431 3.636 20 5 GHBDMN Cc1nnc([C@@H]2CCCN(c3ccc([N+](=O)[O-])cc3C(=O)c3ccccc3)C2)[nH]1 ZINC001458284951 1063722298 /nfs/dbraw/zinc/72/22/98/1063722298.db2.gz IMYUUZXXVSWRQX-MRXNPFEDSA-N 0 1 391.431 3.636 20 5 GHBDMN O=C(N1CCCN(Cc2ccccc2)CC1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001463826814 1064652686 /nfs/dbraw/zinc/65/26/86/1064652686.db2.gz GWRSULBZTLJJRQ-UHFFFAOYSA-N 0 1 393.487 3.751 20 5 GHBDMN CC(C)Oc1cc(C(=O)NC[C@H](C)N2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC001352078316 1064814826 /nfs/dbraw/zinc/81/48/26/1064814826.db2.gz CDSJEEDYPWWPPB-INIZCTEOSA-N 0 1 397.475 3.559 20 5 GHBDMN Cc1ccccc1-n1ncc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1C(F)F ZINC001300172906 1065554969 /nfs/dbraw/zinc/55/49/69/1065554969.db2.gz QCUOEZPINKSATM-UHFFFAOYSA-N 0 1 388.330 3.984 20 5 GHBDMN CC[C@H]1CCCCCN1C(=O)Nc1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC001467372976 1067257020 /nfs/dbraw/zinc/25/70/20/1067257020.db2.gz WVXQPFZPVRZRCV-INIZCTEOSA-N 0 1 389.500 3.533 20 5 GHBDMN O=C1[C@H](N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CCCN1c1ccccc1 ZINC001460126651 1068796639 /nfs/dbraw/zinc/79/66/39/1068796639.db2.gz DZIDJOXQYKQTDG-GHTZIAJQSA-N 0 1 379.460 3.970 20 5 GHBDMN CC1(C)CCC[C@@H]1[C@@H]1CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001460299073 1068913439 /nfs/dbraw/zinc/91/34/39/1068913439.db2.gz RHKIZIPENAERAG-CRAIPNDOSA-N 0 1 380.510 3.517 20 5 GHBDMN COc1ccc(OCCN2CC[C@H](c3ccc(OC)c(F)c3)C2)c([N+](=O)[O-])c1 ZINC001460567196 1068998595 /nfs/dbraw/zinc/99/85/95/1068998595.db2.gz JYUPCOXSSWZODT-HNNXBMFYSA-N 0 1 390.411 3.619 20 5 GHBDMN CC[C@@H](N[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1cccc(OC)c1OC ZINC001460653275 1069059847 /nfs/dbraw/zinc/05/98/47/1069059847.db2.gz WAQYRARBJJEJDT-UKRRQHHQSA-N 0 1 387.436 3.680 20 5 GHBDMN C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)N1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001460852739 1069223095 /nfs/dbraw/zinc/22/30/95/1069223095.db2.gz RREKAKYBRNVOLU-XFQAVAEZSA-N 0 1 383.448 3.774 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(CN[C@H]2CCOC23CCCCC3)o1 ZINC001460892296 1069257477 /nfs/dbraw/zinc/25/74/77/1069257477.db2.gz VVBUECNKGZOIJY-HNNXBMFYSA-N 0 1 392.843 3.880 20 5 GHBDMN Cc1ccc(-c2n[nH]c(NC(=O)CCc3c(Cl)cccc3[N+](=O)[O-])n2)o1 ZINC001472526785 1073531409 /nfs/dbraw/zinc/53/14/09/1073531409.db2.gz UJQCQUMTKSZEQB-UHFFFAOYSA-N 0 1 375.772 3.506 20 5 GHBDMN CCC[C@H]1CN(c2cc(C)c(C(F)(F)F)cc2[N+](=O)[O-])CCN1CCOC ZINC001472734384 1073642542 /nfs/dbraw/zinc/64/25/42/1073642542.db2.gz GVLHRVBXIFLMNV-AWEZNQCLSA-N 0 1 389.418 3.859 20 5 GHBDMN C[C@@]1(CCc2ccccc2)CCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC001473213740 1073865410 /nfs/dbraw/zinc/86/54/10/1073865410.db2.gz XBLJUCKLNVQINR-HSZRJFAPSA-N 0 1 393.487 3.829 20 5 GHBDMN CC1(C)C[C@@H](c2ccccc2)N(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC001473574780 1074024636 /nfs/dbraw/zinc/02/46/36/1074024636.db2.gz ZIVYHEKZJXQEPQ-FQEVSTJZSA-N 0 1 379.460 3.957 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)NC[C@@H]2CCC=CCCC2)c1 ZINC001475770319 1075018497 /nfs/dbraw/zinc/01/84/97/1075018497.db2.gz PJGUHOFEVFXMAP-LLVKDONJSA-N 0 1 376.837 3.802 20 5 GHBDMN COc1ccc(C[NH2+][C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000832341532 600742085 /nfs/dbraw/zinc/74/20/85/600742085.db2.gz MUEFDSXDOWOBDI-OAHLLOKOSA-N 0 1 385.203 3.826 20 5 GHBDMN CC(C)(C(=O)[O-])[C@@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1 ZINC000833415902 605178624 /nfs/dbraw/zinc/17/86/24/605178624.db2.gz VKUSWRGSWUDWHQ-KRWDZBQOSA-N 0 1 396.403 3.587 20 5 GHBDMN CC(C)[C@H](CNc1c(Cl)cc(Cl)cc1[N+](=O)[O-])N1CCN(C)CC1 ZINC000581088350 837459744 /nfs/dbraw/zinc/45/97/44/837459744.db2.gz BZOGKDWYTRCZOH-HNNXBMFYSA-N 0 1 375.300 3.586 20 5 GHBDMN CCOc1ccc([C@@H](C)N[C@@H]2CCN(c3ccccc3F)C2=O)cc1[N+](=O)[O-] ZINC000180770639 837528813 /nfs/dbraw/zinc/52/88/13/837528813.db2.gz NMIOOTPUIFGLJS-CZUORRHYSA-N 0 1 387.411 3.589 20 5 GHBDMN Cc1cc(S(=O)(=O)Nc2ccc(C(F)(F)F)nc2C)c(C)cc1[N+](=O)[O-] ZINC000414382501 837531738 /nfs/dbraw/zinc/53/17/38/837531738.db2.gz LLDWNIGYEIXVFE-UHFFFAOYSA-N 0 1 389.355 3.735 20 5 GHBDMN Cc1cc(N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000581729210 837568625 /nfs/dbraw/zinc/56/86/25/837568625.db2.gz NMZYQVJSAMEKAX-HOTGVXAUSA-N 0 1 375.469 3.692 20 5 GHBDMN Cc1cccc2nc(CCC(=O)NCCCCc3ccc([N+](=O)[O-])cc3)[nH]c21 ZINC000176898015 837599943 /nfs/dbraw/zinc/59/99/43/837599943.db2.gz OIDVTYKWGNXONA-UHFFFAOYSA-N 0 1 380.448 3.851 20 5 GHBDMN Cc1ccc([C@H](C)NC(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)cc1[N+](=O)[O-] ZINC000163239092 834706580 /nfs/dbraw/zinc/70/65/80/834706580.db2.gz HYTNDSNTZHEFNS-BBRMVZONSA-N 0 1 398.467 3.549 20 5 GHBDMN Cc1cc(F)cc(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)c1[N+](=O)[O-] ZINC000176792630 834757214 /nfs/dbraw/zinc/75/72/14/834757214.db2.gz GEQVSZDJFPMGPW-CQSZACIVSA-N 0 1 391.468 3.746 20 5 GHBDMN CC(C)C(=O)c1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)cc1 ZINC000120174848 834757549 /nfs/dbraw/zinc/75/75/49/834757549.db2.gz UAYOOPAAGRZSNT-UHFFFAOYSA-N 0 1 382.825 3.888 20 5 GHBDMN CCOC(=O)C(C)(C)C1CCN(Cc2ccc([N+](=O)[O-])c(OCC)c2)CC1 ZINC000510073058 834860008 /nfs/dbraw/zinc/86/00/08/834860008.db2.gz OFVUASODTCYZNF-UHFFFAOYSA-N 0 1 378.469 3.795 20 5 GHBDMN Cc1ccc(-c2ccncc2)cc1NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000120232321 834958091 /nfs/dbraw/zinc/95/80/91/834958091.db2.gz JHPNEJUNTGWACO-UHFFFAOYSA-N 0 1 375.431 3.828 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000430205920 835082221 /nfs/dbraw/zinc/08/22/21/835082221.db2.gz NOOKYLGSAQGAJM-KRWDZBQOSA-N 0 1 393.447 3.768 20 5 GHBDMN O=C(NC[C@@H](c1ccco1)N1CCCC1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000178994811 835177108 /nfs/dbraw/zinc/17/71/08/835177108.db2.gz DASWOTWPPCEKBF-IBGZPJMESA-N 0 1 398.463 3.699 20 5 GHBDMN CCN(CC)[C@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccccc1Cl ZINC000610221158 835234882 /nfs/dbraw/zinc/23/48/82/835234882.db2.gz GMFGXIUBWMZZRY-LJQANCHMSA-N 0 1 389.883 3.990 20 5 GHBDMN CN(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000278552036 835379321 /nfs/dbraw/zinc/37/93/21/835379321.db2.gz ZJHGCRNYYVTSKV-LPHOPBHVSA-N 0 1 389.383 3.994 20 5 GHBDMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000127105882 835825885 /nfs/dbraw/zinc/82/58/85/835825885.db2.gz LHBOJKYFESPIML-UHFFFAOYSA-N 0 1 398.329 3.847 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H](Cn2cnc3ccccc32)C1 ZINC000614236032 835908774 /nfs/dbraw/zinc/90/87/74/835908774.db2.gz XDLVCOSHQGPXKP-MRXNPFEDSA-N 0 1 380.448 3.865 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000179769056 835972253 /nfs/dbraw/zinc/97/22/53/835972253.db2.gz YPWHZUXJVSKWFQ-AWEZNQCLSA-N 0 1 396.447 3.541 20 5 GHBDMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000179823543 836062507 /nfs/dbraw/zinc/06/25/07/836062507.db2.gz UOPAIGPSOLLJFR-UHFFFAOYSA-N 0 1 398.329 3.847 20 5 GHBDMN O=[N+]([O-])c1cccc(CN[C@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)c1 ZINC000136679577 836313388 /nfs/dbraw/zinc/31/33/88/836313388.db2.gz SBDZMHCSVOTFKC-HNNXBMFYSA-N 0 1 377.326 3.611 20 5 GHBDMN O=[N+]([O-])c1ccc(CN[C@@H](c2ccccc2)C2(CO)CCOCC2)c(Cl)c1 ZINC000412011860 836325139 /nfs/dbraw/zinc/32/51/39/836325139.db2.gz PUHPSSSPUYPIOA-IBGZPJMESA-N 0 1 390.867 3.868 20 5 GHBDMN Cc1cccc(CN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC(C)C)c1 ZINC001167199014 836877521 /nfs/dbraw/zinc/87/75/21/836877521.db2.gz CJSFGFBUDXNGKS-UHFFFAOYSA-N 0 1 381.476 3.951 20 5 GHBDMN Cc1cscc1NS(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000161595523 836891056 /nfs/dbraw/zinc/89/10/56/836891056.db2.gz SLUJZDZSHYZFTE-UHFFFAOYSA-N 0 1 391.268 3.836 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2cnc(CCN3CCO[C@@H](c4ccccc4)C3)o2)c1 ZINC000170908422 836933168 /nfs/dbraw/zinc/93/31/68/836933168.db2.gz GTFFJLWQLDGEHW-HXUWFJFHSA-N 0 1 379.416 3.866 20 5 GHBDMN Cc1cc(OCC(=O)Nc2ccc3nc([C@H]4CCCO4)[nH]c3c2)ccc1[N+](=O)[O-] ZINC000430392243 836945455 /nfs/dbraw/zinc/94/54/55/836945455.db2.gz IOSLHMAUHRAPCB-GOSISDBHSA-N 0 1 396.403 3.649 20 5 GHBDMN CCn1ccnc1[C@H]1OCC[C@@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000275525344 837171926 /nfs/dbraw/zinc/17/19/26/837171926.db2.gz LLEWRIDSLDXUMN-HKUYNNGSSA-N 0 1 382.420 3.691 20 5 GHBDMN Cc1cc(NC(=O)CN[C@H](C)c2cccc([N+](=O)[O-])c2)n(-c2ccccc2F)n1 ZINC000180411135 837228234 /nfs/dbraw/zinc/22/82/34/837228234.db2.gz SBOKMDHQUDSUJC-CQSZACIVSA-N 0 1 397.410 3.517 20 5 GHBDMN Cc1cccc(C[C@@H](CO)NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000189004007 838054050 /nfs/dbraw/zinc/05/40/50/838054050.db2.gz SQFYWJSQHJOJSI-KRWDZBQOSA-N 0 1 383.473 3.720 20 5 GHBDMN COc1cc(CN2CCC([C@@H]3CCCO3)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000189244739 838249621 /nfs/dbraw/zinc/24/96/21/838249621.db2.gz CIDGUJKEDSRLPQ-HNNXBMFYSA-N 0 1 386.395 3.596 20 5 GHBDMN CCc1nc([C@H](C)NCc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)n[nH]1 ZINC000535689554 844310808 /nfs/dbraw/zinc/31/08/08/844310808.db2.gz GXXSCKPRIDYOMQ-AWEZNQCLSA-N 0 1 380.452 3.894 20 5 GHBDMN Cc1cc(Cl)c(S(=O)(=O)Nc2cccc(-c3cn[nH]c3)c2)cc1[N+](=O)[O-] ZINC000121085562 838339766 /nfs/dbraw/zinc/33/97/66/838339766.db2.gz XPNBOWGUYXKEAI-UHFFFAOYSA-N 0 1 392.824 3.748 20 5 GHBDMN CCCc1[nH]nc(C(=O)N2CCC(=Cc3cccc(OC)c3)CC2)c1[N+](=O)[O-] ZINC000472968580 838931857 /nfs/dbraw/zinc/93/18/57/838931857.db2.gz YUPLIFTUEIUATQ-UHFFFAOYSA-N 0 1 384.436 3.599 20 5 GHBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCCC[C@@H]2[C@@H](C)O)cc1OC ZINC000580366485 839395697 /nfs/dbraw/zinc/39/56/97/839395697.db2.gz DXQMTOSKZFYHJC-ZMSDIMECSA-N 0 1 380.485 3.764 20 5 GHBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCCC[C@@H]2[C@@H](C)O)cc1OC ZINC000580366485 839395710 /nfs/dbraw/zinc/39/57/10/839395710.db2.gz DXQMTOSKZFYHJC-ZMSDIMECSA-N 0 1 380.485 3.764 20 5 GHBDMN CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)c1 ZINC000549300886 839938270 /nfs/dbraw/zinc/93/82/70/839938270.db2.gz YWTCKAJNYCDOSN-SFHVURJKSA-N 0 1 397.475 3.778 20 5 GHBDMN C[C@@H](N[C@H](C)c1cccnc1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000181639225 840221084 /nfs/dbraw/zinc/22/10/84/840221084.db2.gz SUTNJVTXCQEEBQ-CHWSQXEVSA-N 0 1 397.460 3.791 20 5 GHBDMN COc1ccc(CN[C@@H]2CCOc3c(Br)cccc32)cc1[N+](=O)[O-] ZINC000500391551 840343773 /nfs/dbraw/zinc/34/37/73/840343773.db2.gz GCGIGCMEHFNNGN-CQSZACIVSA-N 0 1 393.237 3.979 20 5 GHBDMN CC(C)(C)c1ccc(-c2n[nH]c(NC(=O)Cc3ccccc3[N+](=O)[O-])n2)cc1 ZINC000511730462 840560109 /nfs/dbraw/zinc/56/01/09/840560109.db2.gz SEVBBSKDBADXAC-UHFFFAOYSA-N 0 1 379.420 3.859 20 5 GHBDMN CC[C@@H](CNC(=O)c1cc(F)cc(C)c1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000123004084 840907620 /nfs/dbraw/zinc/90/76/20/840907620.db2.gz PYYALMFRDHUQGB-SFHVURJKSA-N 0 1 385.439 3.609 20 5 GHBDMN C[C@@H](C(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)N(C)C ZINC000610561603 841391992 /nfs/dbraw/zinc/39/19/92/841391992.db2.gz OARJTCWEUBBHHA-NSHDSACASA-N 0 1 395.818 3.746 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2nc(CN[C@@H](CO)Cc3ccc(F)cc3)cs2)c1 ZINC000500252772 841746713 /nfs/dbraw/zinc/74/67/13/841746713.db2.gz WVISWHFYSKUJPB-MRXNPFEDSA-N 0 1 387.436 3.551 20 5 GHBDMN C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1cc2ccccc2o1 ZINC000178201803 842427192 /nfs/dbraw/zinc/42/71/92/842427192.db2.gz ZYMLHMOAYBFYMO-LLVKDONJSA-N 0 1 377.360 3.868 20 5 GHBDMN CC[C@@H]1C[C@@]1(NCc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)c1cccc(C)c1 ZINC000500507495 843555951 /nfs/dbraw/zinc/55/59/51/843555951.db2.gz JOVGRGJPNBXMOH-VGSWGCGISA-N 0 1 398.459 3.870 20 5 GHBDMN Cc1cc(Br)ccc1[C@H]1CCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000599637907 861432920 /nfs/dbraw/zinc/43/29/20/861432920.db2.gz XFUQNQWNPZPNIJ-OAHLLOKOSA-N 0 1 379.258 3.699 20 5 GHBDMN COc1cc(C)c([C@H](C)N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC ZINC000056154199 861437584 /nfs/dbraw/zinc/43/75/84/861437584.db2.gz PKSNFXMQMJDSMZ-KBPBESRZSA-N 0 1 387.436 3.598 20 5 GHBDMN Cc1nc([C@@H]2CCCCN2c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])n[nH]1 ZINC000509533802 843798244 /nfs/dbraw/zinc/79/82/44/843798244.db2.gz ULAZOBGDPOQCGM-SFHVURJKSA-N 0 1 391.431 3.984 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(OCCC(C)C)cc1 ZINC000603968334 861468098 /nfs/dbraw/zinc/46/80/98/861468098.db2.gz LHGHJOCOMMKGBX-UHFFFAOYSA-N 0 1 394.449 3.829 20 5 GHBDMN Cc1nccc(N2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)c1Cl ZINC000509833362 843928919 /nfs/dbraw/zinc/92/89/19/843928919.db2.gz FTMWRGGPKUIOFM-UHFFFAOYSA-N 0 1 386.843 3.545 20 5 GHBDMN COc1ccc([C@@H]2CCN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)cc1F ZINC000599678273 861475799 /nfs/dbraw/zinc/47/57/99/861475799.db2.gz KPBDAVCBUMBDDV-CQSZACIVSA-N 0 1 388.395 3.599 20 5 GHBDMN COC[C@H](C)N(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCc2ccccc21 ZINC000599684260 861525166 /nfs/dbraw/zinc/52/51/66/861525166.db2.gz XJXWIJNUYREGPW-KKSFZXQISA-N 0 1 397.475 3.582 20 5 GHBDMN O=C(Nc1ccccc1-c1nc(-c2ccccc2)n[nH]1)c1ccc([N+](=O)[O-])o1 ZINC000072012186 846198381 /nfs/dbraw/zinc/19/83/81/846198381.db2.gz CIMSCCPACQKCJU-UHFFFAOYSA-N 0 1 375.344 3.892 20 5 GHBDMN CNC(=O)[C@@H]1CCN(Cc2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)C1 ZINC000421382451 846198786 /nfs/dbraw/zinc/19/87/86/846198786.db2.gz KSSMBEQGDJIOSA-MRXNPFEDSA-N 0 1 385.489 3.622 20 5 GHBDMN CN(C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)C1CCN(CCC(F)(F)F)CC1 ZINC000413861665 846396609 /nfs/dbraw/zinc/39/66/09/846396609.db2.gz OCIQIEWIILOHPX-DLBZAZTESA-N 0 1 399.413 3.574 20 5 GHBDMN NC(=O)c1ccc(CN2CCC([C@@H](F)c3ccccc3F)CC2)c([N+](=O)[O-])c1 ZINC000511096737 846785665 /nfs/dbraw/zinc/78/56/65/846785665.db2.gz QIYOZLONJYZXHZ-LJQANCHMSA-N 0 1 389.402 3.756 20 5 GHBDMN CCO[C@H]1C[C@H](NCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C12CCCCC2 ZINC000503426367 847699277 /nfs/dbraw/zinc/69/92/77/847699277.db2.gz NUUUZMQJVRXERE-IRXDYDNUSA-N 0 1 386.452 3.862 20 5 GHBDMN O=C(CCNCc1cc(Br)ccc1F)Nc1ccccc1[N+](=O)[O-] ZINC000548761740 848260980 /nfs/dbraw/zinc/26/09/80/848260980.db2.gz KUYHKRPRJIKFKV-UHFFFAOYSA-N 0 1 396.216 3.615 20 5 GHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(N3CCCC3)cc2)c(Cl)c1 ZINC000731780722 861885849 /nfs/dbraw/zinc/88/58/49/861885849.db2.gz DNAVDAHZGRINGI-UHFFFAOYSA-N 0 1 381.841 3.649 20 5 GHBDMN COc1ccc(NC(=O)[C@@H](C)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1OC ZINC000178691886 848545303 /nfs/dbraw/zinc/54/53/03/848545303.db2.gz VCKPGMRFELIDHZ-UONOGXRCSA-N 0 1 387.436 3.598 20 5 GHBDMN Cc1c([C@H](C)N[C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)cccc1[N+](=O)[O-] ZINC000161539145 848651697 /nfs/dbraw/zinc/65/16/97/848651697.db2.gz OZKYXQHFPZGXRW-CABCVRRESA-N 0 1 391.493 3.565 20 5 GHBDMN COc1c(F)cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)cc1F ZINC000176640946 849561107 /nfs/dbraw/zinc/56/11/07/849561107.db2.gz CQGBJDAKUABZHF-UHFFFAOYSA-N 0 1 392.767 3.644 20 5 GHBDMN CCCN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@H](C)CC(=O)Nc1ccccc1 ZINC000504227509 849979993 /nfs/dbraw/zinc/97/99/93/849979993.db2.gz HPCRIXVCOSCKCD-CQSZACIVSA-N 0 1 385.420 3.570 20 5 GHBDMN Cc1cnn(-c2ccc(C)cc2NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000435144522 850144307 /nfs/dbraw/zinc/14/43/07/850144307.db2.gz HCTCXKUIBINSTJ-UHFFFAOYSA-N 0 1 386.433 3.507 20 5 GHBDMN CC[C@H](N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(OC)c(OC)c1 ZINC000506639309 850230730 /nfs/dbraw/zinc/23/07/30/850230730.db2.gz IZXZBDDXIUVWDT-DYVFJYSZSA-N 0 1 387.436 3.680 20 5 GHBDMN COC(=O)c1cnc([C@H](C)N[C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])s1 ZINC000424335991 850371540 /nfs/dbraw/zinc/37/15/40/850371540.db2.gz XHDMDJKHBKJPDO-GZBFAFLISA-N 0 1 389.477 3.900 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2ccc(CN3CCC[C@@H](n4ccnn4)C3)o2)c(Cl)c1 ZINC000425357064 850438064 /nfs/dbraw/zinc/43/80/64/850438064.db2.gz XFIPPTXHZDLKHT-CQSZACIVSA-N 0 1 387.827 3.937 20 5 GHBDMN CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](c2cccs2)N2CCCC2)c1 ZINC000027606892 850488598 /nfs/dbraw/zinc/48/85/98/850488598.db2.gz MTLYADIZURFPEV-MRXNPFEDSA-N 0 1 391.518 3.945 20 5 GHBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2oc(C3CC3)nc2c1 ZINC000519201934 850752088 /nfs/dbraw/zinc/75/20/88/850752088.db2.gz LDLWPYUCAUIQFW-UHFFFAOYSA-N 0 1 387.417 3.977 20 5 GHBDMN C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)[C@H]1c1ccc(Cl)cc1 ZINC000910368456 851159449 /nfs/dbraw/zinc/15/94/49/851159449.db2.gz AQDHXEDDBAQVTR-NVXWUHKLSA-N 0 1 375.812 3.804 20 5 GHBDMN O=C(Nc1[nH]nc2c1cccc2Cl)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000123336230 851255480 /nfs/dbraw/zinc/25/54/80/851255480.db2.gz QEJKXLPNZRIXFF-UHFFFAOYSA-N 0 1 382.767 3.563 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@H]1Cc1ccccc1C ZINC000514190758 851382760 /nfs/dbraw/zinc/38/27/60/851382760.db2.gz UGKFROLOWYGYFD-QGZVFWFLSA-N 0 1 383.448 3.557 20 5 GHBDMN O=C(NCc1ccc(COc2ccccc2)cc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000505782712 851390714 /nfs/dbraw/zinc/39/07/14/851390714.db2.gz OENQDOQFFBKDDV-UHFFFAOYSA-N 0 1 378.384 3.809 20 5 GHBDMN O=C(N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000505477478 851510007 /nfs/dbraw/zinc/51/00/07/851510007.db2.gz UORLLGLGSMDTSH-IAQYHMDHSA-N 0 1 390.321 3.776 20 5 GHBDMN O=C1[C@@H](NCc2ccc([N+](=O)[O-])cc2)CCN1c1ccc(Cl)cc1Cl ZINC000473669465 851560321 /nfs/dbraw/zinc/56/03/21/851560321.db2.gz CFXZWMXJJIVFEP-HNNXBMFYSA-N 0 1 380.231 3.797 20 5 GHBDMN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1nc2ccc(F)cc2[nH]1 ZINC000488903229 851855822 /nfs/dbraw/zinc/85/58/22/851855822.db2.gz RGLYBYGYCOHZMS-MRVPVSSYSA-N 0 1 378.747 3.670 20 5 GHBDMN O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000516070937 852135563 /nfs/dbraw/zinc/13/55/63/852135563.db2.gz WNGLSFOWGFPOSC-CYBMUJFWSA-N 0 1 375.450 3.679 20 5 GHBDMN CCC(=O)c1ccc(O)c(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000436645796 852154704 /nfs/dbraw/zinc/15/47/04/852154704.db2.gz MVZLMFNDFGOLCE-SNVBAGLBSA-N 0 1 392.795 3.953 20 5 GHBDMN CCCc1[nH]nc(C(=O)N2CCC(Oc3cc(C)ccc3C)CC2)c1[N+](=O)[O-] ZINC000517624767 852166548 /nfs/dbraw/zinc/16/65/48/852166548.db2.gz FAGYYNXVRTXYMB-UHFFFAOYSA-N 0 1 386.452 3.571 20 5 GHBDMN CCN(C(=O)c1ccc([N+](=O)[O-])cc1[O-])[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000436960517 852532420 /nfs/dbraw/zinc/53/24/20/852532420.db2.gz QVAUZSIPALXBCW-YJBOKZPZSA-N 0 1 383.448 3.598 20 5 GHBDMN COc1ccc2c(c1)CCC[C@H]2N(C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000507174752 852644402 /nfs/dbraw/zinc/64/44/02/852644402.db2.gz SKPHRSXEWBXKHR-HXUWFJFHSA-N 0 1 384.432 3.979 20 5 GHBDMN CC(C)OCc1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1 ZINC000490345289 852951487 /nfs/dbraw/zinc/95/14/87/852951487.db2.gz QMPZBWOZMKOVEP-UHFFFAOYSA-N 0 1 381.392 3.557 20 5 GHBDMN CC(C)COc1cccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)c1 ZINC000490368237 852967623 /nfs/dbraw/zinc/96/76/23/852967623.db2.gz OMVFEUNWOHZILX-UHFFFAOYSA-N 0 1 381.392 3.667 20 5 GHBDMN O=C(CCCCC(=O)c1ccccc1)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000490374048 852988984 /nfs/dbraw/zinc/98/89/84/852988984.db2.gz UJRGFEOUJQUHLQ-UHFFFAOYSA-N 0 1 393.403 3.762 20 5 GHBDMN Cc1c(CC(=O)Nc2nc3ccc(Br)cc3[nH]2)cccc1[N+](=O)[O-] ZINC000438939565 853107469 /nfs/dbraw/zinc/10/74/69/853107469.db2.gz SRRUIRTULMHVLS-UHFFFAOYSA-N 0 1 389.209 3.723 20 5 GHBDMN C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2cc([O-])ccc2[N+](=O)[O-])cc1 ZINC000506477925 853250444 /nfs/dbraw/zinc/25/04/44/853250444.db2.gz PRUXBFLSUBUBNE-OAHLLOKOSA-N 0 1 383.448 3.605 20 5 GHBDMN O=C(N[C@H](COCc1ccccc1)c1ccccc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000506487039 853299000 /nfs/dbraw/zinc/29/90/00/853299000.db2.gz NFERHMZOAYAWBR-OAQYLSRUSA-N 0 1 392.411 3.988 20 5 GHBDMN Cc1c(Cl)cccc1N1CCCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000586825639 853571206 /nfs/dbraw/zinc/57/12/06/853571206.db2.gz WSGNYIXMSMDXGJ-UHFFFAOYSA-N 0 1 389.839 3.615 20 5 GHBDMN COc1ccccc1[C@H](CNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)N1CCCC1 ZINC000571977559 854249198 /nfs/dbraw/zinc/24/91/98/854249198.db2.gz MYTYLISQSHWVPU-JXFKEZNVSA-N 0 1 397.475 3.660 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N(C)[C@H]2C[C@@H](Oc3ccccc3)C2(C)C)c1[N+](=O)[O-] ZINC000588778439 854415495 /nfs/dbraw/zinc/41/54/95/854415495.db2.gz IZDNEXVJUYMFGH-LSDHHAIUSA-N 0 1 386.452 3.759 20 5 GHBDMN CN(C)c1ccccc1CN(C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000589210581 854751588 /nfs/dbraw/zinc/75/15/88/854751588.db2.gz XPLBMFHTHXREII-UHFFFAOYSA-N 0 1 379.464 3.693 20 5 GHBDMN O=c1ccc([N+](=O)[O-])cn1CCN(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000536377017 855182916 /nfs/dbraw/zinc/18/29/16/855182916.db2.gz DUIRZHNGYGCBBE-UHFFFAOYSA-N 0 1 382.247 3.728 20 5 GHBDMN COc1cc(C(=O)Nc2ccccc2Nc2ccncc2)cc([N+](=O)[O-])c1C ZINC000590539564 855469238 /nfs/dbraw/zinc/46/92/38/855469238.db2.gz OMWLRTSABUGNPM-UHFFFAOYSA-N 0 1 378.388 3.725 20 5 GHBDMN COC(=O)c1c(Cl)c(N[C@H]2CCN(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000590568414 855493289 /nfs/dbraw/zinc/49/32/89/855493289.db2.gz FRUSZERAWXAUMZ-AWEZNQCLSA-N 0 1 389.839 3.721 20 5 GHBDMN Cc1ccc(C=Cc2n[nH]c(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)n2)o1 ZINC000591374554 855956354 /nfs/dbraw/zinc/95/63/54/855956354.db2.gz NTCBSSPEVXFMQN-FPLPWBNLSA-N 0 1 399.432 3.824 20 5 GHBDMN Cc1ccc2nc([C@H]3CCCN(C(=O)c4cc([N+](=O)[O-])cnc4C)C3)[nH]c2c1 ZINC000171197500 856023603 /nfs/dbraw/zinc/02/36/03/856023603.db2.gz WOSZCYNBDOWFJE-AWEZNQCLSA-N 0 1 379.420 3.503 20 5 GHBDMN COc1cc(C(=O)N2CCC[C@@H](c3nc4ccc(C)cc4[nH]3)C2)ccc1[N+](=O)[O-] ZINC000171194975 856023659 /nfs/dbraw/zinc/02/36/59/856023659.db2.gz WSLZKAWGCYVUMQ-OAHLLOKOSA-N 0 1 394.431 3.808 20 5 GHBDMN Cc1n[nH]c(C(F)F)c1NC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000760875074 856224458 /nfs/dbraw/zinc/22/44/58/856224458.db2.gz XWIMXYBIFADEMC-UHFFFAOYSA-N 0 1 375.129 3.579 20 5 GHBDMN CCc1nc([C@@H](C)NC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)n[nH]1 ZINC000536490913 856243088 /nfs/dbraw/zinc/24/30/88/856243088.db2.gz GKNPOFKLJFDAQK-GFCCVEGCSA-N 0 1 396.407 3.950 20 5 GHBDMN COc1ccc(C(=O)C2CCN(CCOc3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000046054145 856451232 /nfs/dbraw/zinc/45/12/32/856451232.db2.gz WZFDPRCKPGAOJQ-UHFFFAOYSA-N 0 1 384.432 3.577 20 5 GHBDMN Cc1nc([C@H]2CCCN(c3ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n3)C2)n[nH]1 ZINC000485418794 856496046 /nfs/dbraw/zinc/49/60/46/856496046.db2.gz WBEJQIONQGDGQF-AWEZNQCLSA-N 0 1 382.399 3.606 20 5 GHBDMN Cc1nnc([C@H]2CCCN(c3ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n3)C2)[nH]1 ZINC000485418794 856496049 /nfs/dbraw/zinc/49/60/49/856496049.db2.gz WBEJQIONQGDGQF-AWEZNQCLSA-N 0 1 382.399 3.606 20 5 GHBDMN O=[N+]([O-])c1ccc2[nH]c(CN(Cc3ccccc3)[C@H](CO)C3CCC3)nc2c1 ZINC000592139522 856688836 /nfs/dbraw/zinc/68/88/36/856688836.db2.gz LARLGJZVTDOPBV-HXUWFJFHSA-N 0 1 380.448 3.634 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](c1ccccc1)C1(CO)CC=CC1 ZINC000592177086 856762170 /nfs/dbraw/zinc/76/21/70/856762170.db2.gz JRTVOZKPHSRHDF-NRFANRHFSA-N 0 1 395.459 3.501 20 5 GHBDMN Cc1nc(C(C)(C)NCCC(=O)Nc2cc([N+](=O)[O-])ccc2C)sc1C ZINC000173956883 857186491 /nfs/dbraw/zinc/18/64/91/857186491.db2.gz NGKJQBQDVGXTED-UHFFFAOYSA-N 0 1 376.482 3.830 20 5 GHBDMN CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1c1ccc([N+](=O)[O-])c(C)n1 ZINC000301790917 857768132 /nfs/dbraw/zinc/76/81/32/857768132.db2.gz NUUCRPCICFYMFX-MGPUTAFESA-N 0 1 383.496 3.739 20 5 GHBDMN CCc1ccccc1NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000521279211 857808222 /nfs/dbraw/zinc/80/82/22/857808222.db2.gz XNIIXLXAKFNISM-UHFFFAOYSA-N 0 1 385.239 3.721 20 5 GHBDMN O=[N+]([O-])c1cccc2c1CC[C@H]2N[C@H](CO)c1ccc(Br)cc1 ZINC000594502233 858194439 /nfs/dbraw/zinc/19/44/39/858194439.db2.gz KQXBLRZRGANUSJ-HZPDHXFCSA-N 0 1 377.238 3.668 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](c3nc4ccc(C)cc4[nH]3)C2)c1 ZINC000067158128 858457667 /nfs/dbraw/zinc/45/76/67/858457667.db2.gz AHWJPUBBLRBGBF-CQSZACIVSA-N 0 1 394.431 3.808 20 5 GHBDMN O=C([O-])C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccc(C(F)(F)F)cc1 ZINC000575188106 858597281 /nfs/dbraw/zinc/59/72/81/858597281.db2.gz KJGDJKMRLOMFCD-UHFFFAOYSA-N 0 1 382.338 3.743 20 5 GHBDMN C[C@@H](NCC(=O)NCC(F)(F)F)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000160519244 858976577 /nfs/dbraw/zinc/97/65/77/858976577.db2.gz RKSWPLNXHYLHKZ-SNVBAGLBSA-N 0 1 387.383 3.652 20 5 GHBDMN NC(=O)c1ccc(CSc2nc3ccc(C(F)(F)F)cc3[nH]2)c([N+](=O)[O-])c1 ZINC000042568751 859002918 /nfs/dbraw/zinc/00/29/18/859002918.db2.gz SHQLTPBSFJUFGV-UHFFFAOYSA-N 0 1 396.350 3.881 20 5 GHBDMN O=C([O-])c1ccc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1[N+](=O)[O-] ZINC001170337118 881381572 /nfs/dbraw/zinc/38/15/72/881381572.db2.gz KOECJHMTBITKTB-NNZMDNLPSA-N 0 1 381.432 3.901 20 5 GHBDMN C[C@@]1(c2ccc(F)cc2)CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000483415193 859348717 /nfs/dbraw/zinc/34/87/17/859348717.db2.gz VXVSSYBQCKBNEI-HXUWFJFHSA-N 0 1 382.395 3.948 20 5 GHBDMN O=C1CCCN1[C@@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000483426762 859357809 /nfs/dbraw/zinc/35/78/09/859357809.db2.gz GBULTYXGIUSKKZ-CQSZACIVSA-N 0 1 389.839 3.705 20 5 GHBDMN COc1ccc(OCCN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c([N+](=O)[O-])c1 ZINC000764493699 859466432 /nfs/dbraw/zinc/46/64/32/859466432.db2.gz ROAUZSRHCJJEIL-UHFFFAOYSA-N 0 1 387.392 3.555 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(Cc1ccccc1)CC1(O)CCCC1 ZINC000474237543 859675467 /nfs/dbraw/zinc/67/54/67/859675467.db2.gz ZJDGQXLFVRCJJN-UHFFFAOYSA-N 0 1 397.475 3.649 20 5 GHBDMN COc1cc(CN2CCC([C@H]3CCCCCN3C(C)=O)CC2)ccc1[N+](=O)[O-] ZINC000611515762 859796957 /nfs/dbraw/zinc/79/69/57/859796957.db2.gz UYTSJIDYGDRUTP-LJQANCHMSA-N 0 1 389.496 3.607 20 5 GHBDMN Cc1c([C@@H](C)N[C@@H](Cc2ccccc2)C(=O)N2CCCC2)cccc1[N+](=O)[O-] ZINC000131058536 859819544 /nfs/dbraw/zinc/81/95/44/859819544.db2.gz AJLDWDOVMODKHJ-XLIONFOSSA-N 0 1 381.476 3.788 20 5 GHBDMN O=C(C1CCN(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)N1CCCCC1 ZINC000602433450 860031457 /nfs/dbraw/zinc/03/14/57/860031457.db2.gz LIPZXHPQULTYJS-UHFFFAOYSA-N 0 1 399.413 3.838 20 5 GHBDMN Cc1ccc(NS(=O)(=O)c2ccc(F)cc2Br)cc1[N+](=O)[O-] ZINC000123916444 860145852 /nfs/dbraw/zinc/14/58/52/860145852.db2.gz OZKKZTCENQNXNO-UHFFFAOYSA-N 0 1 389.202 3.606 20 5 GHBDMN Cc1cc([C@H]2CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)c(O)cc1Cl ZINC000598328801 860237140 /nfs/dbraw/zinc/23/71/40/860237140.db2.gz HPMSOXQEFAUVIP-NSHDSACASA-N 0 1 376.796 3.598 20 5 GHBDMN O=C(N[C@H]1CCCc2cn[nH]c21)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000484730690 860309223 /nfs/dbraw/zinc/30/92/23/860309223.db2.gz SYDADPUVUAPCHM-SFHVURJKSA-N 0 1 391.431 3.737 20 5 GHBDMN COc1cc(CN2CCC(c3cc(-c4ccncc4)n[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000602878445 860333083 /nfs/dbraw/zinc/33/30/83/860333083.db2.gz TZKVBSLHNSDRJG-UHFFFAOYSA-N 0 1 393.447 3.768 20 5 GHBDMN COc1ccc(Cc2noc(-c3cc(-c4ccc([N+](=O)[O-])cc4)n[nH]3)n2)cc1 ZINC000904390991 860388500 /nfs/dbraw/zinc/38/85/00/860388500.db2.gz MCCVSMSACCXTKR-UHFFFAOYSA-N 0 1 377.360 3.634 20 5 GHBDMN COc1cc(N2CCCN(Cc3ccc(Cl)cc3)CC2)ccc1[N+](=O)[O-] ZINC000301378306 860464307 /nfs/dbraw/zinc/46/43/07/860464307.db2.gz XJLGPVNJUNEHQB-UHFFFAOYSA-N 0 1 375.856 3.969 20 5 GHBDMN CCCOc1ccc([C@@H](C)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000542665064 860476432 /nfs/dbraw/zinc/47/64/32/860476432.db2.gz BLCRHNAHFXEVAR-OAHLLOKOSA-N 0 1 392.477 3.508 20 5 GHBDMN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN[C@@H](C(F)F)C1CCCCC1 ZINC000598649173 860481613 /nfs/dbraw/zinc/48/16/13/860481613.db2.gz JECMUVNBNUALAK-MRXNPFEDSA-N 0 1 383.395 3.696 20 5 GHBDMN CCNC(=O)[C@@H](C)NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000061028847 860583424 /nfs/dbraw/zinc/58/34/24/860583424.db2.gz LFAPVIUDQZOKAP-GFCCVEGCSA-N 0 1 377.828 3.655 20 5 GHBDMN CN(CCc1ccc(Br)cc1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000730255409 860977219 /nfs/dbraw/zinc/97/72/19/860977219.db2.gz USIUWYALCRXNSC-UHFFFAOYSA-N 0 1 389.253 3.839 20 5 GHBDMN C[C@@H](CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)N(C)Cc1ccccc1 ZINC000444005467 863115514 /nfs/dbraw/zinc/11/55/14/863115514.db2.gz RCYNFMCBYWSKES-KRWDZBQOSA-N 0 1 399.494 3.932 20 5 GHBDMN CCO[C@@H]1C[C@@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)[C@@H]1OC ZINC000482511635 863241344 /nfs/dbraw/zinc/24/13/44/863241344.db2.gz NRDQGFUZHJTMEM-NXHRZFHOSA-N 0 1 380.828 3.790 20 5 GHBDMN O=[N+]([O-])c1ccc(CN2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)c([N+](=O)[O-])c1 ZINC000792871503 881740094 /nfs/dbraw/zinc/74/00/94/881740094.db2.gz LUSXDOYXBZJPGS-MRXNPFEDSA-N 0 1 394.391 3.625 20 5 GHBDMN O=[N+]([O-])c1ccc(CN2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)c([N+](=O)[O-])c1 ZINC000792871503 881740108 /nfs/dbraw/zinc/74/01/08/881740108.db2.gz LUSXDOYXBZJPGS-MRXNPFEDSA-N 0 1 394.391 3.625 20 5 GHBDMN Cc1ccc2nc(CNC(=O)c3ccnc(-c4ccccc4)c3[N+](=O)[O-])[nH]c2c1 ZINC001126606558 866277228 /nfs/dbraw/zinc/27/72/28/866277228.db2.gz KICGNVTWPLHYGA-UHFFFAOYSA-N 0 1 387.399 3.772 20 5 GHBDMN C[C@@H](N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cc2cccc(F)c2o1 ZINC000475699695 882027558 /nfs/dbraw/zinc/02/75/58/882027558.db2.gz XPWJDAOJMXVBSZ-PXAZEXFGSA-N 0 1 383.379 3.936 20 5 GHBDMN C[C@H](N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000478975566 866945286 /nfs/dbraw/zinc/94/52/86/866945286.db2.gz JRDXXBRSHCFDDM-GTNSWQLSSA-N 0 1 377.803 3.843 20 5 GHBDMN C[C@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(NC(=O)C2CC2)cc1 ZINC000444672474 867046079 /nfs/dbraw/zinc/04/60/79/867046079.db2.gz JZAOIMSVPKAEHV-LBPRGKRZSA-N 0 1 379.420 3.670 20 5 GHBDMN CC[C@@H](NCc1ccc(Br)c([N+](=O)[O-])c1)c1c(C)nn(C)c1C ZINC000742387529 867253437 /nfs/dbraw/zinc/25/34/37/867253437.db2.gz CQJQRAVTTYSQBT-CQSZACIVSA-N 0 1 381.274 3.949 20 5 GHBDMN CCO[C@H]1C[C@@H](NCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C12CCCCC2 ZINC000429790048 867336110 /nfs/dbraw/zinc/33/61/10/867336110.db2.gz SREHNYCHINCDJI-SJORKVTESA-N 0 1 386.452 3.862 20 5 GHBDMN CC(C)(CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)N1CCc2ccccc2C1 ZINC000524058263 868499901 /nfs/dbraw/zinc/49/99/01/868499901.db2.gz FIWHRMQIYIVQCN-UHFFFAOYSA-N 0 1 387.867 3.815 20 5 GHBDMN O=C(c1cc(-c2ccccc2Cl)[nH]n1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000535310897 868514755 /nfs/dbraw/zinc/51/47/55/868514755.db2.gz ILORUZFZLYKPLL-UHFFFAOYSA-N 0 1 382.807 3.837 20 5 GHBDMN Cc1cc(S(=O)(=O)Nc2cccc(-c3nccs3)c2)ccc1[N+](=O)[O-] ZINC000524188323 868682766 /nfs/dbraw/zinc/68/27/66/868682766.db2.gz XYBYBOAVCPDOQA-UHFFFAOYSA-N 0 1 375.431 3.828 20 5 GHBDMN CO[C@H](C)CN[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000190745661 882256610 /nfs/dbraw/zinc/25/66/10/882256610.db2.gz BFKKKJZIMHZDKC-SJKOYZFVSA-N 0 1 377.828 3.553 20 5 GHBDMN O=C(Nc1ccc2nc(-c3ccccn3)[nH]c2c1)c1cc([N+](=O)[O-])ccc1F ZINC000737555694 869059325 /nfs/dbraw/zinc/05/93/25/869059325.db2.gz TXTBIDIOFYABIW-UHFFFAOYSA-N 0 1 377.335 3.925 20 5 GHBDMN C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C[N@H+]1C1CC1 ZINC000440922675 869263742 /nfs/dbraw/zinc/26/37/42/869263742.db2.gz CWACZUIPMIZALW-HUUCEWRRSA-N 0 1 381.432 3.742 20 5 GHBDMN Cc1cc(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])ccc1F ZINC000462448003 869455093 /nfs/dbraw/zinc/45/50/93/869455093.db2.gz QABIUFYOEULCMG-UHFFFAOYSA-N 0 1 393.223 3.828 20 5 GHBDMN C[C@@H](CCc1ccco1)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462479516 869539341 /nfs/dbraw/zinc/53/93/41/869539341.db2.gz HMCLZDDNJQQTDB-VIFPVBQESA-N 0 1 393.248 3.794 20 5 GHBDMN O=C(Cc1ccccc1[N+](=O)[O-])N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000539753286 869714484 /nfs/dbraw/zinc/71/44/84/869714484.db2.gz NUIHYXNPRKFOES-QGZVFWFLSA-N 0 1 397.479 3.709 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N(Cc2ccco2)Cc2ccc(O)cc2)c1[N+](=O)[O-] ZINC000269589679 882348347 /nfs/dbraw/zinc/34/83/47/882348347.db2.gz MMCMAMZKAYTOIY-UHFFFAOYSA-N 0 1 384.392 3.583 20 5 GHBDMN Cc1cc(NS(=O)(=O)c2ccc(F)c(Br)c2)ccc1[N+](=O)[O-] ZINC000539855464 869902584 /nfs/dbraw/zinc/90/25/84/869902584.db2.gz ITTFZVWKFQJUNF-UHFFFAOYSA-N 0 1 389.202 3.606 20 5 GHBDMN COc1cccc(CN(CC(C)C)Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000746053480 869980298 /nfs/dbraw/zinc/98/02/98/869980298.db2.gz ICTNNNRCDASRQS-UHFFFAOYSA-N 0 1 395.463 3.978 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000539968454 870127074 /nfs/dbraw/zinc/12/70/74/870127074.db2.gz AGPLVBDSTCENMT-CHWSQXEVSA-N 0 1 375.375 3.638 20 5 GHBDMN COc1ccc(C(OC(=O)c2ccc([N+](=O)[O-])[nH]2)c2ccc(OC)cc2)cc1 ZINC000920799249 882382227 /nfs/dbraw/zinc/38/22/27/882382227.db2.gz KYDAYOVANAXQQM-UHFFFAOYSA-N 0 1 382.372 3.887 20 5 GHBDMN Cc1ccc(NC(=O)c2ccc(N3CC[C@H](N4CC=CC4)C3)c([N+](=O)[O-])c2)cc1 ZINC000462893809 870314466 /nfs/dbraw/zinc/31/44/66/870314466.db2.gz FOTYTMZBLAHQIL-IBGZPJMESA-N 0 1 392.459 3.606 20 5 GHBDMN Cc1ccc([C@H](C)N[C@@H]2CC(=O)N(C)[C@H]2c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000540145834 870599152 /nfs/dbraw/zinc/59/91/52/870599152.db2.gz ZADUVKZRCPJHAI-TUIFFPIZSA-N 0 1 389.402 3.804 20 5 GHBDMN Cc1cc(C(=O)N2CCC[C@@H](c3nnc(-c4ccccc4)[nH]3)C2)cc([N+](=O)[O-])c1 ZINC000181338466 870844153 /nfs/dbraw/zinc/84/41/53/870844153.db2.gz GIILSPGNEFICNQ-MRXNPFEDSA-N 0 1 391.431 3.708 20 5 GHBDMN CCOc1ccc([C@H](C)NCC(=O)Nc2c(C)cccc2[N+](=O)[O-])cc1OC ZINC000540366254 871124143 /nfs/dbraw/zinc/12/41/43/871124143.db2.gz LXHMLUZLGNJHBL-AWEZNQCLSA-N 0 1 387.436 3.600 20 5 GHBDMN CC(C)[C@@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccc(F)cc1F ZINC000540424550 871254371 /nfs/dbraw/zinc/25/43/71/871254371.db2.gz QFXHWQAWZSTNMV-HXUWFJFHSA-N 0 1 389.402 3.749 20 5 GHBDMN C[C@@H](NC(=O)c1ccc(CN2CCSCC2)cc1)c1ccccc1[N+](=O)[O-] ZINC000540449146 871291849 /nfs/dbraw/zinc/29/18/49/871291849.db2.gz MSQPBORMSTWKMT-OAHLLOKOSA-N 0 1 385.489 3.635 20 5 GHBDMN CCc1ccc([C@@H]2CCCN(CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC001194115572 871483863 /nfs/dbraw/zinc/48/38/63/871483863.db2.gz CJYOLQLMVHEGMB-LJQANCHMSA-N 0 1 381.476 4.000 20 5 GHBDMN CC(C)c1ccc(OCCNC(=O)CN[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000539277820 871606061 /nfs/dbraw/zinc/60/60/61/871606061.db2.gz XAOOBMQZXSXKJY-INIZCTEOSA-N 0 1 385.464 3.564 20 5 GHBDMN Cc1n[nH]c(C(F)(F)F)c1C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000618872566 872101119 /nfs/dbraw/zinc/10/11/19/872101119.db2.gz JJOUDCONZDJZIG-UHFFFAOYSA-N 0 1 396.247 3.594 20 5 GHBDMN COc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)ccc1C(F)(F)F ZINC000447787476 872299933 /nfs/dbraw/zinc/29/99/33/872299933.db2.gz QAHKYYCWXXCWDE-UHFFFAOYSA-N 0 1 390.339 3.731 20 5 GHBDMN CCSc1ccc([C@H](C)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000182412667 872308178 /nfs/dbraw/zinc/30/81/78/872308178.db2.gz YDPBENIKTFUCRG-AWEZNQCLSA-N 0 1 394.518 3.831 20 5 GHBDMN Cc1ccc(-c2cc(=NC(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)[nH][nH]2)o1 ZINC000447808646 872336236 /nfs/dbraw/zinc/33/62/36/872336236.db2.gz XVKMOYBTMMRSGY-UHFFFAOYSA-N 0 1 395.400 3.684 20 5 GHBDMN COc1cccc([C@@H]2[C@H](NCc3c(F)cccc3[N+](=O)[O-])CCN2C2CC2)c1 ZINC000619809941 873037826 /nfs/dbraw/zinc/03/78/26/873037826.db2.gz JOUOQCPQVSOBEW-TZIWHRDSSA-N 0 1 385.439 3.810 20 5 GHBDMN CCOc1ccc([C@@H](C)NCc2cccc(N3CCOC3=O)c2)cc1[N+](=O)[O-] ZINC000768098153 873065998 /nfs/dbraw/zinc/06/59/98/873065998.db2.gz UIUBELMWUVTQGS-CQSZACIVSA-N 0 1 385.420 3.801 20 5 GHBDMN CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CCCN2Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC001197167522 873633767 /nfs/dbraw/zinc/63/37/67/873633767.db2.gz IEYNEPWRWVWVCX-NVXWUHKLSA-N 0 1 393.459 3.955 20 5 GHBDMN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)N[C@H](CN1CCCC1)c1ccccc1 ZINC000448648566 873721380 /nfs/dbraw/zinc/72/13/80/873721380.db2.gz MDSLODNSDQXCMH-HXUWFJFHSA-N 0 1 395.459 3.511 20 5 GHBDMN COc1cccc([C@H]2CCN(CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)C2(C)C)c1 ZINC001197423296 873803844 /nfs/dbraw/zinc/80/38/44/873803844.db2.gz VDDZPJLMNGDXOM-HXUWFJFHSA-N 0 1 397.475 3.834 20 5 GHBDMN Cc1c(Br)c(Sc2nc(-c3ccccc3)n[nH]2)ncc1[N+](=O)[O-] ZINC000541577641 873897975 /nfs/dbraw/zinc/89/79/75/873897975.db2.gz GBJXECOAJNAECI-UHFFFAOYSA-N 0 1 392.238 3.997 20 5 GHBDMN Cc1ccc(CN2CCC(CN(C)C(=O)OC(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000769335865 873975105 /nfs/dbraw/zinc/97/51/05/873975105.db2.gz QPYVSGCKYGSECL-UHFFFAOYSA-N 0 1 377.485 3.982 20 5 GHBDMN COc1ccccc1-c1noc([C@@H](C)N[C@H](C)Cc2ccccc2[N+](=O)[O-])n1 ZINC000449278848 874664011 /nfs/dbraw/zinc/66/40/11/874664011.db2.gz MJGHNCXOEUKHFW-ZIAGYGMSSA-N 0 1 382.420 3.935 20 5 GHBDMN O=[N+]([O-])c1ccc([C@H]2CCCN(Cc3cnnn3Cc3ccccc3)C2)cc1 ZINC000449498887 874956347 /nfs/dbraw/zinc/95/63/47/874956347.db2.gz LIQNZYLXAFQENZ-IBGZPJMESA-N 0 1 377.448 3.614 20 5 GHBDMN COc1cc(CN(C)[C@@H]2C[C@H](OC)C23CCC3)c([N+](=O)[O-])cc1OC(F)F ZINC000449627810 875149756 /nfs/dbraw/zinc/14/97/56/875149756.db2.gz AUGMDTWPPMYNMM-CVEARBPZSA-N 0 1 386.395 3.594 20 5 GHBDMN O=[N+]([O-])c1ccccc1/C=C\CN[C@H](CO)c1ccc(Br)c(F)c1 ZINC000492224351 876481623 /nfs/dbraw/zinc/48/16/23/876481623.db2.gz JJGZHDJATABZKL-OICCZTGUSA-N 0 1 395.228 3.833 20 5 GHBDMN CCOc1cc(CN2CCC[C@H](C(=O)Nc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000492358436 876705435 /nfs/dbraw/zinc/70/54/35/876705435.db2.gz RUVIMARNAJJLAH-KRWDZBQOSA-N 0 1 383.448 3.844 20 5 GHBDMN CCc1[nH]n(Cc2ccccc2C)c(=O)c1CCNc1ncc(C)cc1[N+](=O)[O-] ZINC000450715478 876810225 /nfs/dbraw/zinc/81/02/25/876810225.db2.gz IGHVGDKZQOXLGU-KRWDZBQOSA-N 0 1 395.463 3.833 20 5 GHBDMN Cc1cc(C)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1Br ZINC000486130982 876847828 /nfs/dbraw/zinc/84/78/28/876847828.db2.gz SJDGVBIBGNWUIS-UHFFFAOYSA-N 0 1 385.239 3.775 20 5 GHBDMN O=C(OCc1ccc(Br)c([N+](=O)[O-])c1)[C@H]1CCCN1C1CCCC1 ZINC000786883847 877037938 /nfs/dbraw/zinc/03/79/38/877037938.db2.gz UDVFXICSVUMOBY-OAHLLOKOSA-N 0 1 397.269 3.808 20 5 GHBDMN COc1cc(CN(C)[C@@H](C)c2cccc(N3CCOC3=O)c2)ccc1[N+](=O)[O-] ZINC000789366534 878903204 /nfs/dbraw/zinc/90/32/04/878903204.db2.gz OWNPFNZPPLBIRR-AWEZNQCLSA-N 0 1 385.420 3.753 20 5 GHBDMN COc1cc(CN2CCC[C@H]2C[C@H](O)c2cccs2)c([N+](=O)[O-])cc1OC ZINC000180505778 878976568 /nfs/dbraw/zinc/97/65/68/878976568.db2.gz FQYCZXAGLPJHMP-HOCLYGCPSA-N 0 1 392.477 3.762 20 5 GHBDMN CN(C)[C@H](CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1ccc(Cl)cc1 ZINC000531068033 879059112 /nfs/dbraw/zinc/05/91/12/879059112.db2.gz HBMRAFVRSGZMFE-QGZVFWFLSA-N 0 1 386.839 3.762 20 5 GHBDMN Cc1ccc([C@@H](CN2CCOCC2)NCc2ccc([N+](=O)[O-])c(Cl)c2)cc1 ZINC000761523718 879215467 /nfs/dbraw/zinc/21/54/67/879215467.db2.gz WRYBEVXTMUTQMT-LJQANCHMSA-N 0 1 389.883 3.720 20 5 GHBDMN CCN(CC)[C@H](CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000520061901 879385464 /nfs/dbraw/zinc/38/54/64/879385464.db2.gz KASCOPCONFLTEM-WMLDXEAASA-N 0 1 391.493 3.868 20 5 GHBDMN CCc1ccc(C(=O)N2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)cc1[N+](=O)[O-] ZINC000152719276 879625122 /nfs/dbraw/zinc/62/51/22/879625122.db2.gz KKLBQWXTTAATBM-QGZVFWFLSA-N 0 1 391.431 3.920 20 5 GHBDMN CCc1ccc(C(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)cc1[N+](=O)[O-] ZINC000152719276 879625141 /nfs/dbraw/zinc/62/51/41/879625141.db2.gz KKLBQWXTTAATBM-QGZVFWFLSA-N 0 1 391.431 3.920 20 5 GHBDMN CC[C@@H](C)n1ncc(NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)c1C ZINC000790417469 879698455 /nfs/dbraw/zinc/69/84/55/879698455.db2.gz KJOHMBFTHNHJBN-SNVBAGLBSA-N 0 1 386.861 3.833 20 5 GHBDMN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCCN(Cc3ccccc3C)CC2)c1 ZINC000031765856 879981319 /nfs/dbraw/zinc/98/13/19/879981319.db2.gz FDSWLOSHANLGQT-UHFFFAOYSA-N 0 1 399.516 3.973 20 5 GHBDMN CC(C)c1nc2c([nH]1)CC[C@@H](C(=O)N1CCC[C@H](c3ccc([N+](=O)[O-])cc3)C1)C2 ZINC000452861694 880163156 /nfs/dbraw/zinc/16/31/56/880163156.db2.gz UFKRFZQVTVTUGJ-SJORKVTESA-N 0 1 396.491 3.952 20 5 GHBDMN CC(C)C[C@@H](NC(=O)OC(C)(C)C)c1noc(-c2cc(O)cc([N+](=O)[O-])c2)n1 ZINC000776770127 880202803 /nfs/dbraw/zinc/20/28/03/880202803.db2.gz ZLEMUBXTJMGJPM-CQSZACIVSA-N 0 1 392.412 3.962 20 5 GHBDMN Cc1cc(Br)c(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)s1 ZINC000453590655 881109780 /nfs/dbraw/zinc/10/97/80/881109780.db2.gz HRIUHTFCWZEKBH-UHFFFAOYSA-N 0 1 385.287 3.761 20 5 GHBDMN Cc1cc(S(=O)(=O)Nc2cccc(COCC3CC3)c2)ccc1[N+](=O)[O-] ZINC000609657637 883495628 /nfs/dbraw/zinc/49/56/28/883495628.db2.gz HOZQWKNDKAOJFA-UHFFFAOYSA-N 0 1 376.434 3.631 20 5 GHBDMN Cc1cc(S(=O)(=O)Nc2cccc(C(=O)c3ccccc3)c2)ccc1[N+](=O)[O-] ZINC000609657727 883497068 /nfs/dbraw/zinc/49/70/68/883497068.db2.gz MYHXKUVVYYMMIK-UHFFFAOYSA-N 0 1 396.424 3.935 20 5 GHBDMN O=c1cc(CN2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c2c(ccc3ccccc32)o1 ZINC000286408152 912734639 /nfs/dbraw/zinc/73/46/39/912734639.db2.gz HTCNQNVOPCJNKS-NVXWUHKLSA-N 0 1 391.389 3.939 20 5 GHBDMN O=C(Nc1cc(Cl)c(O)cc1F)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000805254841 883721002 /nfs/dbraw/zinc/72/10/02/883721002.db2.gz HILUZMXSNXDCDW-UHFFFAOYSA-N 0 1 376.674 3.947 20 5 GHBDMN Cc1cc(Br)cc(S(=O)(=O)Nc2cc(F)cc([N+](=O)[O-])c2)c1 ZINC000475800244 883979942 /nfs/dbraw/zinc/97/99/42/883979942.db2.gz VKTWOEFYDFRVRV-UHFFFAOYSA-N 0 1 389.202 3.606 20 5 GHBDMN O=C(Nc1ccccc1NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1cccs1 ZINC000476121813 884001152 /nfs/dbraw/zinc/00/11/52/884001152.db2.gz OQYGKNBWTHVJLP-UHFFFAOYSA-N 0 1 383.385 3.867 20 5 GHBDMN COC[C@H](N[C@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1)C(C)C ZINC000542520846 884147907 /nfs/dbraw/zinc/14/79/07/884147907.db2.gz HRKMMXUTJOQOOF-ICSRJNTNSA-N 0 1 385.464 3.844 20 5 GHBDMN NC(=O)[C@H]1CCCN1Cc1cccc(N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000193101124 884212326 /nfs/dbraw/zinc/21/23/26/884212326.db2.gz MUJRIJVEBTZQBK-NHCUHLMSSA-N 0 1 394.475 3.534 20 5 GHBDMN Cc1cccc2nc(CNC(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)[nH]c21 ZINC000498401302 884302852 /nfs/dbraw/zinc/30/28/52/884302852.db2.gz RDWOYUMDPMQDQS-UHFFFAOYSA-N 0 1 393.428 3.833 20 5 GHBDMN C[C@H](CNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])[N@H+]1CCc2sccc2C1 ZINC000914787541 884792147 /nfs/dbraw/zinc/79/21/47/884792147.db2.gz SVHFOEGRXSGEAV-MASHWEEQSA-N 0 1 387.461 3.613 20 5 GHBDMN C[C@H](NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2n1C(F)F ZINC000914795406 884833803 /nfs/dbraw/zinc/83/38/03/884833803.db2.gz PWYRLJPSPOMCAW-MEDUHNTESA-N 0 1 376.363 3.724 20 5 GHBDMN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(OC(C)C)nc1 ZINC000761891778 884933919 /nfs/dbraw/zinc/93/39/19/884933919.db2.gz NAZHOZBAPDRRNY-UHFFFAOYSA-N 0 1 385.829 3.540 20 5 GHBDMN CCOc1ccc2c(c1)c(=N)c1ccc(N)cc1n2C(=O)[C@@](C)(O)CC(C)C ZINC001183966479 912929929 /nfs/dbraw/zinc/92/99/29/912929929.db2.gz AXJKAZZQVZVWBY-QFIPXVFZSA-N 0 1 381.476 3.692 20 5 GHBDMN O=[N+]([O-])c1cnc2ccccc2c1N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000487940877 886277427 /nfs/dbraw/zinc/27/74/27/886277427.db2.gz GPJZCQBJPMZXEJ-UHFFFAOYSA-N 0 1 380.423 3.994 20 5 GHBDMN COc1cc(C(=O)Nc2nc3cc(Cl)c(F)cc3[nH]2)cc([N+](=O)[O-])c1C ZINC001131314400 886420502 /nfs/dbraw/zinc/42/05/02/886420502.db2.gz PIJPYHQBYVIDIN-UHFFFAOYSA-N 0 1 378.747 3.833 20 5 GHBDMN CC(C)S(=O)(=O)CCN[C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000808726412 886710317 /nfs/dbraw/zinc/71/03/17/886710317.db2.gz BAECDPQYUZGVDD-CYBMUJFWSA-N 0 1 382.507 3.797 20 5 GHBDMN CCOc1ccc([C@@H](C)NCC(=O)Nc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000153297365 887495700 /nfs/dbraw/zinc/49/57/00/887495700.db2.gz QACRKHIABMVLKQ-GFCCVEGCSA-N 0 1 377.828 3.936 20 5 GHBDMN CC1(NS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCC(F)(F)CC1 ZINC000809832491 887852491 /nfs/dbraw/zinc/85/24/91/887852491.db2.gz QBLLJGJYSSZAND-UHFFFAOYSA-N 0 1 386.779 3.634 20 5 GHBDMN O=C1CCc2cc([N+](=O)[O-])c(NC3CCN(Cc4ccc(F)cc4)CC3)cc2N1 ZINC000194080107 888026329 /nfs/dbraw/zinc/02/63/29/888026329.db2.gz GBHKUIFWVGWDMN-UHFFFAOYSA-N 0 1 398.438 3.695 20 5 GHBDMN CCN1CCN(c2cc(N(C)C(=O)C[C@H]3CCC[C@@H]3C)cc([N+](=O)[O-])c2)CC1 ZINC001132062949 888130102 /nfs/dbraw/zinc/13/01/02/888130102.db2.gz ORNAFAUMTICEQL-DLBZAZTESA-N 0 1 388.512 3.526 20 5 GHBDMN Cc1ccc2nc([C@@H]3CCCN3C(=O)Cc3cccc(F)c3[N+](=O)[O-])[nH]c2c1 ZINC000865052765 888160550 /nfs/dbraw/zinc/16/05/50/888160550.db2.gz GMAWQMMKCRJLKR-KRWDZBQOSA-N 0 1 382.395 3.825 20 5 GHBDMN C[C@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(N2CCCCC2=O)cc1 ZINC000810129610 888196024 /nfs/dbraw/zinc/19/60/24/888196024.db2.gz WAJPDOTYSJKTOQ-AWEZNQCLSA-N 0 1 393.447 3.839 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@H](c2ccccc2)CC1 ZINC000532940887 889342081 /nfs/dbraw/zinc/34/20/81/889342081.db2.gz FIIWFAXIYNHKEN-QGZVFWFLSA-N 0 1 383.448 3.812 20 5 GHBDMN O=C(NCc1ccc(Nc2ccncc2)cc1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001168514449 889542456 /nfs/dbraw/zinc/54/24/56/889542456.db2.gz YEUBGEHDAAKWRK-UHFFFAOYSA-N 0 1 382.807 3.739 20 5 GHBDMN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNCc1n[nH]c(-c2ccccc2)n1 ZINC000811486347 889636033 /nfs/dbraw/zinc/63/60/33/889636033.db2.gz HUOHCDKJFHCPQF-UHFFFAOYSA-N 0 1 378.219 3.977 20 5 GHBDMN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNCc1nc(-c2ccccc2)n[nH]1 ZINC000811486347 889636039 /nfs/dbraw/zinc/63/60/39/889636039.db2.gz HUOHCDKJFHCPQF-UHFFFAOYSA-N 0 1 378.219 3.977 20 5 GHBDMN N=C1Nc2nc3ccccc3n2[C@H](c2cc(Cl)cc(Cl)c2[N+](=O)[O-])N1 ZINC000811637523 889833285 /nfs/dbraw/zinc/83/32/85/889833285.db2.gz AQOANRHKYYCTJY-CYBMUJFWSA-N 0 1 377.191 3.748 20 5 GHBDMN CNc1ccc(C(=O)Nc2nc3ccc(C(F)(F)F)cc3[nH]2)cc1[N+](=O)[O-] ZINC000533370444 890402297 /nfs/dbraw/zinc/40/22/97/890402297.db2.gz JUMXBZBWIGWIAQ-UHFFFAOYSA-N 0 1 379.298 3.784 20 5 GHBDMN O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000812833094 891016553 /nfs/dbraw/zinc/01/65/53/891016553.db2.gz YIODCPLJQHNNEN-CQSZACIVSA-N 0 1 394.258 3.906 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)Nc2cc(F)cc(F)c2F)c1 ZINC000814212766 892398569 /nfs/dbraw/zinc/39/85/69/892398569.db2.gz XFTJUFNLVCEQRT-UHFFFAOYSA-N 0 1 384.694 3.605 20 5 GHBDMN CC[C@H](NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])c1nc(C)cs1 ZINC000815009952 893333240 /nfs/dbraw/zinc/33/32/40/893333240.db2.gz NMUPVZYFFDNSCT-JTQLQIEISA-N 0 1 393.849 3.582 20 5 GHBDMN COc1cccc([C@H](C)N[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000774854881 913780146 /nfs/dbraw/zinc/78/01/46/913780146.db2.gz LAUFGOZAZVNUKF-NWDGAFQWSA-N 0 1 377.828 3.935 20 5 GHBDMN CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc3c2OCC[C@@H]3N(C)C)c1 ZINC000563459945 893755624 /nfs/dbraw/zinc/75/56/24/893755624.db2.gz YWZZWIKRPNXGHW-KRWDZBQOSA-N 0 1 385.420 3.631 20 5 GHBDMN C[C@@H]1C[C@@H]1c1ccc(CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C2CC2)o1 ZINC000563475140 893779632 /nfs/dbraw/zinc/77/96/32/893779632.db2.gz HFCCOKHVGMXLEH-KYJSFNMBSA-N 0 1 386.448 3.716 20 5 GHBDMN Cc1ccc(CNCc2cccc(C(=O)NCc3ccco3)c2)cc1[N+](=O)[O-] ZINC000069751165 893803530 /nfs/dbraw/zinc/80/35/30/893803530.db2.gz YQICPXYPBGLLSO-UHFFFAOYSA-N 0 1 379.416 3.716 20 5 GHBDMN O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1N[C@@H](CO)c1c(F)cccc1F ZINC000536867480 893966803 /nfs/dbraw/zinc/96/68/03/893966803.db2.gz BWWQONPWIXUMHK-VHSSKADRSA-N 0 1 376.403 3.907 20 5 GHBDMN COc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])c(C)cc2C)N2CCCC2)cc1 ZINC001135450954 894606876 /nfs/dbraw/zinc/60/68/76/894606876.db2.gz LRZJCGNMDFIOIP-OAQYLSRUSA-N 0 1 397.475 3.787 20 5 GHBDMN CCC[C@H]1CN(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000537240367 894637600 /nfs/dbraw/zinc/63/76/00/894637600.db2.gz ZUADHCHYYXGWCC-IBGZPJMESA-N 0 1 397.475 3.730 20 5 GHBDMN C[C@@H]1CCC[N@@H+](Cc2ccc(CNc3ncc(C(=O)[O-])cc3[N+](=O)[O-])cc2)C1 ZINC000567113549 896885017 /nfs/dbraw/zinc/88/50/17/896885017.db2.gz CSGHVODGAULPTI-CQSZACIVSA-N 0 1 384.436 3.532 20 5 GHBDMN C[C@H]1CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)C[C@@H](c2ccccc2)O1 ZINC001136373872 897507986 /nfs/dbraw/zinc/50/79/86/897507986.db2.gz OCEYPZLIZREQEU-XOBRGWDASA-N 0 1 392.415 3.587 20 5 GHBDMN Cc1cc(F)cc(C(=O)Nc2nnc(Cc3ccccc3F)s2)c1[N+](=O)[O-] ZINC000131848815 897590572 /nfs/dbraw/zinc/59/05/72/897590572.db2.gz PRCTXFHKMCBXJD-UHFFFAOYSA-N 0 1 390.371 3.876 20 5 GHBDMN O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000289597020 914257018 /nfs/dbraw/zinc/25/70/18/914257018.db2.gz ILCGTTMMGRJHQD-LLVKDONJSA-N 0 1 390.831 3.655 20 5 GHBDMN CCc1[nH]nc(C(=O)N2CCC[C@H]2c2ccc(Br)s2)c1[N+](=O)[O-] ZINC000331401485 898465878 /nfs/dbraw/zinc/46/58/78/898465878.db2.gz MZCVXKAQDPIENX-VIFPVBQESA-N 0 1 399.270 3.682 20 5 GHBDMN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N(C)C1CCN(CCC(F)(F)F)CC1 ZINC000823468419 899044971 /nfs/dbraw/zinc/04/49/71/899044971.db2.gz QHDWCKLFCFRSMP-UHFFFAOYSA-N 0 1 387.402 3.700 20 5 GHBDMN Cc1cc(Cl)c(C(=O)NC[C@@H](c2cccc(F)c2)N(C)C)cc1[N+](=O)[O-] ZINC000823596042 899120541 /nfs/dbraw/zinc/12/05/41/899120541.db2.gz DOCCXQBLLGPMOI-KRWDZBQOSA-N 0 1 379.819 3.728 20 5 GHBDMN CN(CC(=O)Nc1c(Cl)cccc1Cl)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000570728911 899538028 /nfs/dbraw/zinc/53/80/28/899538028.db2.gz APFYPTKKWHGOAG-UHFFFAOYSA-N 0 1 384.219 3.678 20 5 GHBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H](c2ccccc2)C2CCOCC2)c1 ZINC000844314306 900721038 /nfs/dbraw/zinc/72/10/38/900721038.db2.gz ZJUFBVWWFDNRAV-FQEVSTJZSA-N 0 1 384.432 3.639 20 5 GHBDMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000070726072 901152431 /nfs/dbraw/zinc/15/24/31/901152431.db2.gz PFUWIDSACZPIOD-UHFFFAOYSA-N 0 1 388.855 3.561 20 5 GHBDMN Cc1ccc(CN2CCC(C(=O)NCCc3cccs3)CC2)cc1[N+](=O)[O-] ZINC000092644478 901502909 /nfs/dbraw/zinc/50/29/09/901502909.db2.gz YTLPXDYSGQQTID-UHFFFAOYSA-N 0 1 387.505 3.536 20 5 GHBDMN COc1cc(CN2CC[C@H](c3cccnc3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000576224278 901835616 /nfs/dbraw/zinc/83/56/16/901835616.db2.gz IKBVYIUGFOPHSF-ZDUSSCGKSA-N 0 1 379.363 3.589 20 5 GHBDMN CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000778981753 902490033 /nfs/dbraw/zinc/49/00/33/902490033.db2.gz QLBVJHALEYLAGW-GJZGRUSLSA-N 0 1 393.484 3.729 20 5 GHBDMN C[C@](CO)(NCc1ccc(OCC(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000601149329 903393875 /nfs/dbraw/zinc/39/38/75/903393875.db2.gz LFRXUUOFQGHPNN-QGZVFWFLSA-N 0 1 384.354 3.533 20 5 GHBDMN COc1ccccc1C[C@H](C)N(C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000174033574 905190379 /nfs/dbraw/zinc/19/03/79/905190379.db2.gz KSMRFAQEXHETDC-AWEZNQCLSA-N 0 1 382.420 3.716 20 5 GHBDMN CC(C)[C@@]1(C(=O)[O-])CC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000901467394 921136687 /nfs/dbraw/zinc/13/66/87/921136687.db2.gz HRRYADLDQXRMJH-GOSISDBHSA-N 0 1 375.450 3.651 20 5 GHBDMN COc1cc(C(=O)Nc2ccc3nc([C@H]4CCCO4)[nH]c3c2)cc([N+](=O)[O-])c1C ZINC000190434819 906036447 /nfs/dbraw/zinc/03/64/47/906036447.db2.gz NRFCXDDKZCVOQW-QGZVFWFLSA-N 0 1 396.403 3.892 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C[C@@H](C)NCC(=O)c2ccc(Cl)cc2)c1F ZINC001173177566 906255107 /nfs/dbraw/zinc/25/51/07/906255107.db2.gz VIQIRZWKGXBADF-LLVKDONJSA-N 0 1 380.803 3.799 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C[C@H](C)NCc2ccncc2Br)c1F ZINC001173182125 906263688 /nfs/dbraw/zinc/26/36/88/906263688.db2.gz HOGNNCHFBQUDQI-JTQLQIEISA-N 0 1 398.232 3.621 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C[C@H](C)N[C@H](c2ccccc2)c2cccnn2)c1F ZINC001173186376 906267322 /nfs/dbraw/zinc/26/73/22/906267322.db2.gz ROFNCWKFCCTTBU-LHSJRXKWSA-N 0 1 396.422 3.843 20 5 GHBDMN O=[N+]([O-])c1ccc(N2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)cc1OC(F)F ZINC000181243744 906953601 /nfs/dbraw/zinc/95/36/01/906953601.db2.gz CTMCPFQJVOWAFT-NSHDSACASA-N 0 1 379.367 3.576 20 5 GHBDMN O=[N+]([O-])c1ccc(N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)cc1OC(F)F ZINC000181243744 906953620 /nfs/dbraw/zinc/95/36/20/906953620.db2.gz CTMCPFQJVOWAFT-NSHDSACASA-N 0 1 379.367 3.576 20 5 GHBDMN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1CN1CCC(O)CC1 ZINC000183578072 907413855 /nfs/dbraw/zinc/41/38/55/907413855.db2.gz IPTRVPRSXHKKKD-JQIJEIRASA-N 0 1 395.459 3.594 20 5 GHBDMN CCOc1ccc([C@H](C)NCc2n[nH]c(COc3ccccc3)n2)cc1[N+](=O)[O-] ZINC000186430492 907925156 /nfs/dbraw/zinc/92/51/56/907925156.db2.gz BTVUTJFHQFKQFN-AWEZNQCLSA-N 0 1 397.435 3.541 20 5 GHBDMN COc1cccc(C(=O)N2CCC[C@@H](c3nc4ccc(C)cc4[nH]3)C2)c1[N+](=O)[O-] ZINC000192818086 907929636 /nfs/dbraw/zinc/92/96/36/907929636.db2.gz GJBQNOFZQHXFGI-CQSZACIVSA-N 0 1 394.431 3.808 20 5 GHBDMN C[C@H]1CN(Cc2ccc([N+](=O)[O-])c(F)c2)CC[C@@H]1CNC(=O)OC(C)(C)C ZINC001176699131 908215091 /nfs/dbraw/zinc/21/50/91/908215091.db2.gz HBOFAJKJLRBGNH-DZGCQCFKSA-N 0 1 381.448 3.717 20 5 GHBDMN COc1cc([C@@H](C)NCc2ccc(C(N)=O)cc2[N+](=O)[O-])cc2ccccc21 ZINC001176792528 908252222 /nfs/dbraw/zinc/25/22/22/908252222.db2.gz BWQHESLUQYTJPV-CYBMUJFWSA-N 0 1 379.416 3.706 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2ccc(CNCc3ccnc(-n4cccn4)c3)o2)c1 ZINC001177217168 908469685 /nfs/dbraw/zinc/46/96/85/908469685.db2.gz ALJNLBISCCROES-UHFFFAOYSA-N 0 1 375.388 3.725 20 5 GHBDMN C[C@@H]1CN(C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])CCN1C1CCCC1 ZINC001177709209 908725365 /nfs/dbraw/zinc/72/53/65/908725365.db2.gz ZTRCXXRNNLFSLP-MRXNPFEDSA-N 0 1 394.475 3.746 20 5 GHBDMN CCc1[nH]nc(C(=O)N2CCCC[C@@H]2c2nc(-c3ccccc3)c[nH]2)c1[N+](=O)[O-] ZINC000194052245 908855275 /nfs/dbraw/zinc/85/52/75/908855275.db2.gz IISJFZWMXARRNU-MRXNPFEDSA-N 0 1 394.435 3.638 20 5 GHBDMN O=[N+]([O-])c1ccc(F)cc1CSc1nc(-c2ccc3c(c2)OCCO3)n[nH]1 ZINC000779822114 908893133 /nfs/dbraw/zinc/89/31/33/908893133.db2.gz AHJWEHVRXGWSPL-UHFFFAOYSA-N 0 1 388.380 3.583 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N(Cc2ccccc2)CC2CCOCC2)c1[N+](=O)[O-] ZINC000269330305 910219979 /nfs/dbraw/zinc/21/99/79/910219979.db2.gz FIYFPOYOGDUVEE-UHFFFAOYSA-N 0 1 386.452 3.510 20 5 GHBDMN O=[N+]([O-])c1nc[nH]c1-c1nc(-c2ccc(OC(F)(F)F)c(Cl)c2)no1 ZINC001212893124 911370775 /nfs/dbraw/zinc/37/07/75/911370775.db2.gz NHXKJVCSCNPOMV-UHFFFAOYSA-N 0 1 375.650 3.587 20 5 GHBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)[C@@H]1CCSc2ccccc21 ZINC001182600084 911915624 /nfs/dbraw/zinc/91/56/24/911915624.db2.gz JTZZJHFBDKDZEM-CQSZACIVSA-N 0 1 381.417 3.598 20 5 GHBDMN CN(C(=O)OC(C)(C)C)C1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000093282899 912164025 /nfs/dbraw/zinc/16/40/25/912164025.db2.gz UXVXVVURFUABLS-VQHVLOKHSA-N 0 1 375.469 3.939 20 5 GHBDMN CC[C@@H](NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1OC ZINC000775069980 914958087 /nfs/dbraw/zinc/95/80/87/914958087.db2.gz USCIJKZGRQQAPD-OAHLLOKOSA-N 0 1 377.828 3.936 20 5 GHBDMN O=C([O-])CC[C@H]1CCCC[N@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000901997519 921799771 /nfs/dbraw/zinc/79/97/71/921799771.db2.gz QPOHALQOPWRSRG-OAHLLOKOSA-N 0 1 375.450 3.938 20 5 GHBDMN O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3c(Cl)ccc4cccnc43)C2)nc1 ZINC000118866960 919596600 /nfs/dbraw/zinc/59/66/00/919596600.db2.gz GQIHUICJJRLDHB-CQSZACIVSA-N 0 1 383.839 3.878 20 5 GHBDMN Cn1ccnc1[C@@H](NC1CCC2(CCOCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000365023195 920309824 /nfs/dbraw/zinc/30/98/24/920309824.db2.gz USAHDJNCLYYRRA-IBGZPJMESA-N 0 1 384.480 3.747 20 5 GHBDMN CCOc1c(OC)cc(CN[C@@H](C)c2cc(OC)cc([N+](=O)[O-])c2)cc1OC ZINC000903085173 922759926 /nfs/dbraw/zinc/75/99/26/922759926.db2.gz AGMWWYKOBUKLOH-ZDUSSCGKSA-N 0 1 390.436 3.870 20 5 GHBDMN CC(C)c1ccc(CN[C@H](C)c2cccc(NS(C)(=O)=O)c2)cc1[N+](=O)[O-] ZINC000748820584 923845500 /nfs/dbraw/zinc/84/55/00/923845500.db2.gz SPVVJIMFCCIJQK-CQSZACIVSA-N 0 1 391.493 3.941 20 5 GHBDMN C[C@H](c1ccncc1)N1CCC(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000749069232 924012506 /nfs/dbraw/zinc/01/25/06/924012506.db2.gz QKFIWUOFOGFTNQ-CYBMUJFWSA-N 0 1 388.855 3.599 20 5 GHBDMN COc1cc(C(=O)Nc2ccc3nc(C)[nH]c3c2)c([N+](=O)[O-])cc1OC(F)F ZINC000010896810 924449893 /nfs/dbraw/zinc/44/98/93/924449893.db2.gz ZJUFGJKALGGAOU-UHFFFAOYSA-N 0 1 392.318 3.642 20 5 GHBDMN COc1ccc(-c2n[nH]c(SCCC(=O)Nc3ccccc3[N+](=O)[O-])n2)cc1 ZINC000409850888 925060364 /nfs/dbraw/zinc/06/03/64/925060364.db2.gz WUVXEZPNEZQMSD-UHFFFAOYSA-N 0 1 399.432 3.509 20 5 GHBDMN CCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(OC(C)C)cc1 ZINC000410402628 925613148 /nfs/dbraw/zinc/61/31/48/925613148.db2.gz JFQUFFMDHVECJR-UHFFFAOYSA-N 0 1 380.422 3.582 20 5 GHBDMN CC(C)Oc1cc(C(=O)NC[C@H](c2cccc(F)c2)N(C)C)ccc1[N+](=O)[O-] ZINC000411156162 926139618 /nfs/dbraw/zinc/13/96/18/926139618.db2.gz OSILPKUHOQBWPE-GOSISDBHSA-N 0 1 389.427 3.554 20 5 GHBDMN COc1ccccc1CC1CCN(Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000726591765 926748057 /nfs/dbraw/zinc/74/80/57/926748057.db2.gz MROPJOISMOZCEI-UHFFFAOYSA-N 0 1 380.448 3.865 20 5 GHBDMN Cn1nccc1C1C[C@H]2CC[C@@H](C1)N2Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000374784059 927517489 /nfs/dbraw/zinc/51/74/89/927517489.db2.gz WDJDPPZHBOYTEA-QNBRMCRTSA-N 0 1 393.447 3.894 20 5 GHBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000375014066 927814489 /nfs/dbraw/zinc/81/44/89/927814489.db2.gz SHMBYWKBZDZHHD-PMPSAXMXSA-N 0 1 386.452 3.844 20 5 GHBDMN COc1ccccc1[C@@H](CNc1ncc([N+](=O)[O-])cc1C(F)(F)F)N(C)C ZINC000413027188 928118550 /nfs/dbraw/zinc/11/85/50/928118550.db2.gz LNBUBOTWOTYDDD-CQSZACIVSA-N 0 1 384.358 3.732 20 5 GHBDMN C[C@@H](NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1c(F)cccc1Cl ZINC000751977041 928524874 /nfs/dbraw/zinc/52/48/74/928524874.db2.gz IZDWMXGSUSUARA-MRVPVSSYSA-N 0 1 376.768 3.566 20 5 GHBDMN CCOc1ccc([N+](=O)[O-])cc1CN1CCC(CCC(=O)N(CC)CC)CC1 ZINC000544043046 928728646 /nfs/dbraw/zinc/72/86/46/928728646.db2.gz LOURAVQDTUVUFX-UHFFFAOYSA-N 0 1 391.512 3.854 20 5 GHBDMN CC1(c2ccccc2)CCN(Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000753804963 929543864 /nfs/dbraw/zinc/54/38/64/929543864.db2.gz FJHQZDSKFGJLRU-UHFFFAOYSA-N 0 1 377.448 3.865 20 5 GHBDMN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc3c2OCC[C@@H]3N(C)C)c1 ZINC000469270348 929751204 /nfs/dbraw/zinc/75/12/04/929751204.db2.gz NTWLTPMSCJXSFD-INIZCTEOSA-N 0 1 387.461 3.954 20 5 GHBDMN C[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccc(OCC2CC2)c(F)c1 ZINC000469433576 929882556 /nfs/dbraw/zinc/88/25/56/929882556.db2.gz GGCCQFSQIZUYNP-NSHDSACASA-N 0 1 398.394 3.890 20 5 GHBDMN COc1ccc2c(c1)CN(C(=O)c1n[nH]c(C)c1[N+](=O)[O-])[C@H](c1ccccc1)C2 ZINC000469455537 929908656 /nfs/dbraw/zinc/90/86/56/929908656.db2.gz WLAXHKGKWPMDAC-SFHVURJKSA-N 0 1 392.415 3.575 20 5 GHBDMN Cc1cc(C(F)(F)F)ccc1CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000469876726 930228882 /nfs/dbraw/zinc/22/88/82/930228882.db2.gz YVUWAMTUMWJPPF-UHFFFAOYSA-N 0 1 378.310 3.728 20 5 GHBDMN Cc1ccc([C@H](CNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)N2CCCC2)o1 ZINC000470126914 930392023 /nfs/dbraw/zinc/39/20/23/930392023.db2.gz VRVHPAVYGGABMY-INIZCTEOSA-N 0 1 376.388 3.594 20 5 GHBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCCN(C(=O)c2ccccc2)CC1 ZINC000470177124 930434485 /nfs/dbraw/zinc/43/44/85/930434485.db2.gz PRTWTUCJAPUECY-SDXDJHTJSA-N 0 1 379.460 3.846 20 5 GHBDMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000470338041 930541046 /nfs/dbraw/zinc/54/10/46/930541046.db2.gz ONLGBIFLSILGHV-UHFFFAOYSA-N 0 1 395.257 3.650 20 5 GHBDMN COc1cc(Br)ccc1[C@H](C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000470821556 930941206 /nfs/dbraw/zinc/94/12/06/930941206.db2.gz PXTIMWQAJGSEKM-VIFPVBQESA-N 0 1 395.209 3.563 20 5 GHBDMN Cc1ccc([C@H]2C[C@H](C)N(Cn3cc([N+](=O)[O-])c(-c4ccncc4)n3)C2)cc1 ZINC000782955973 931375273 /nfs/dbraw/zinc/37/52/73/931375273.db2.gz SWFFYYANTXMPLO-LPHOPBHVSA-N 0 1 377.448 3.997 20 5 GHBDMN Cc1cc(C)cc([C@@H]2CCN(Cn3cc([N+](=O)[O-])c(-c4ccncc4)n3)C2)c1 ZINC000784029678 931760569 /nfs/dbraw/zinc/76/05/69/931760569.db2.gz NFJJPSQEXIZNTD-GOSISDBHSA-N 0 1 377.448 3.917 20 5 GHBDMN O=C(CN[C@@H](CCO)c1ccc(Cl)cc1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000558142208 931856356 /nfs/dbraw/zinc/85/63/56/931856356.db2.gz AXMHRPBLUJIFRT-AWEZNQCLSA-N 0 1 398.246 3.553 20 5 GHBDMN COc1ccc(C[C@@H]2CCCN(CC(=O)Nc3ccc([N+](=O)[O-])cc3C)C2)cc1 ZINC000558606575 932104899 /nfs/dbraw/zinc/10/48/99/932104899.db2.gz QKFUMFVIEMTMMQ-SFHVURJKSA-N 0 1 397.475 3.805 20 5 GHBDMN C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCN2Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000799155725 932890360 /nfs/dbraw/zinc/89/03/60/932890360.db2.gz JVUBEPNLUJJAAN-ZYUBPSHWSA-N 0 1 392.887 3.817 20 5 GHBDMN O=C(c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)N1CCc2nc[nH]c2C1 ZINC000929082768 933234027 /nfs/dbraw/zinc/23/40/27/933234027.db2.gz WKTJMUIFWCXUNW-UHFFFAOYSA-N 0 1 380.429 3.668 20 5 GHBDMN COc1ccccc1[C@H]1CCN(Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000777957062 934384736 /nfs/dbraw/zinc/38/47/36/934384736.db2.gz OZQSNTRSPJAHNS-KRWDZBQOSA-N 0 1 378.432 3.914 20 5 GHBDMN O=[N+]([O-])c1ccccc1CN1CCC(Cc2nc(-c3ccc(F)cn3)no2)CC1 ZINC000932172115 934840189 /nfs/dbraw/zinc/84/01/89/934840189.db2.gz OVPAGNSLDQENFJ-UHFFFAOYSA-N 0 1 397.410 3.634 20 5 GHBDMN CCN(CCNC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl)CCC(F)(F)F ZINC000830401943 935940628 /nfs/dbraw/zinc/94/06/28/935940628.db2.gz DOOAKAMWFDFNDT-UHFFFAOYSA-N 0 1 381.782 3.561 20 5 GHBDMN O=C(Nc1ccc(F)c(F)c1O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001625988042 1014639631 /nfs/dbraw/zinc/63/96/31/1014639631.db2.gz NMUDOJHQWNLUFA-UHFFFAOYSA-N 0 1 377.328 3.954 20 5 GHBDMN CCC[C@@H]1CN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC001595625578 981750635 /nfs/dbraw/zinc/75/06/35/981750635.db2.gz WYGQFPZWOKLWHB-HXUWFJFHSA-N 0 1 397.475 3.780 20 5 GHBDMN O=[N+]([O-])c1ccc(Cc2noc(-c3cc(-c4ccc(Cl)cc4)n[nH]3)n2)nc1 ZINC000545070496 1015471347 /nfs/dbraw/zinc/47/13/47/1015471347.db2.gz PINJFRBLLSJRCR-UHFFFAOYSA-N 0 1 382.767 3.674 20 5 GHBDMN C[N@H+]1CC[C@H](Nc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])[C@H]1c1ccc(F)cc1 ZINC001598585978 993383706 /nfs/dbraw/zinc/38/37/06/993383706.db2.gz MXRXVZSVYBQBCO-ZJCUGOFCSA-N 0 1 385.395 3.689 20 5 GHBDMN Cc1[nH]nc(C(=O)N2CCC[C@@H](Cc3csc4ccccc34)C2)c1[N+](=O)[O-] ZINC000468717492 1015948498 /nfs/dbraw/zinc/94/84/98/1015948498.db2.gz OAJRNYBBHFVZCB-ZDUSSCGKSA-N 0 1 384.461 3.936 20 5 GHBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)CNc1cccc(CN2CCC[C@@H]2C(N)=O)c1 ZINC000468742485 1015983387 /nfs/dbraw/zinc/98/33/87/1015983387.db2.gz BWXYHQIYUHHKHH-NRFGWYQLSA-N 0 1 394.475 3.560 20 5 GHBDMN COc1ccc(OC)c(CN(CCO)C/C(C)=C\c2cccc([N+](=O)[O-])c2)c1 ZINC000470179898 1016744430 /nfs/dbraw/zinc/74/44/30/1016744430.db2.gz FCUZOKQFOPVGIG-WJDWOHSUSA-N 0 1 386.448 3.510 20 5 GHBDMN N[C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)NCCO[C@H]1CCCCO1 ZINC001220861987 1032159384 /nfs/dbraw/zinc/15/93/84/1032159384.db2.gz LAWJDGPRNCBVQU-GOTSBHOMSA-N 0 1 392.499 3.522 20 5 GHBDMN Cc1nc(Cl)nc(O[C@H]2CN(Cc3ccccc3)CC[C@H]2C)c1[N+](=O)[O-] ZINC001227333984 1032378494 /nfs/dbraw/zinc/37/84/94/1032378494.db2.gz AQAPBOYVCGCRDS-DOMZBBRYSA-N 0 1 376.844 3.636 20 5 GHBDMN C[C@@H](O)CCCC(=O)Oc1ccc2c(c1)oc1c2c(=O)oc2cc(O)ccc12 ZINC001227516264 1032449104 /nfs/dbraw/zinc/44/91/04/1032449104.db2.gz AYBKFVGTDYEEPO-LLVKDONJSA-N 0 1 382.368 3.855 20 5 GHBDMN COC(=O)c1sc([N+](=O)[O-])cc1O[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1C ZINC001227541790 1032457755 /nfs/dbraw/zinc/45/77/55/1032457755.db2.gz ONNGHIGHGTUXAU-XJKSGUPXSA-N 0 1 390.461 3.732 20 5 GHBDMN COC(=O)c1sc([N+](=O)[O-])cc1O[C@@H]1CN(Cc2ccccc2)CC[C@@H]1C ZINC001227541790 1032457759 /nfs/dbraw/zinc/45/77/59/1032457759.db2.gz ONNGHIGHGTUXAU-XJKSGUPXSA-N 0 1 390.461 3.732 20 5 GHBDMN Cc1ccc(CNCc2cc(I)cc([N+](=O)[O-])c2)s1 ZINC000564416148 1019073144 /nfs/dbraw/zinc/07/31/44/1019073144.db2.gz ZKNCHJLNCLJQFJ-UHFFFAOYSA-N 0 1 388.230 3.859 20 5 GHBDMN C[C@H](N[C@@H](CCO)c1cccc(C(F)(F)F)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834879913 1021606534 /nfs/dbraw/zinc/60/65/34/1021606534.db2.gz YGPBIJVQDFKHBV-ZBEGNZNMSA-N 0 1 383.370 3.970 20 5 GHBDMN CCOc1ccc([C@@H](C)Oc2nc(C3CC3)[nH]c(=O)c2[N+](=O)[O-])c(OCC)c1 ZINC001228603900 1033001999 /nfs/dbraw/zinc/00/19/99/1033001999.db2.gz NBQBETQMVBTXIM-LLVKDONJSA-N 0 1 389.408 3.905 20 5 GHBDMN CCCCOC[C@H](C)OC[C@@H](C)Oc1nc(C(F)(F)F)cc(O)c1[N+](=O)[O-] ZINC001228860322 1033145327 /nfs/dbraw/zinc/14/53/27/1033145327.db2.gz TXFUOJZPEKPPNC-WDEREUQCSA-N 0 1 396.362 3.703 20 5 GHBDMN O=[N+]([O-])c1c([O-])cc(C(F)(F)F)nc1OC1CC[NH+](Cc2ccccc2)CC1 ZINC001228862815 1033144785 /nfs/dbraw/zinc/14/47/85/1033144785.db2.gz PCANVLJYDWJYSM-UHFFFAOYSA-N 0 1 397.353 3.758 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)c2ncnc(NCCN3CCc4sccc4C3)c2c1 ZINC001162267825 1025697822 /nfs/dbraw/zinc/69/78/22/1025697822.db2.gz WNDLVEZXLGLWFY-UHFFFAOYSA-N 0 1 389.868 3.723 20 5 GHBDMN O=[N+]([O-])c1cc(CN[C@H](c2ccccc2)C2(CO)CCOCC2)ccc1Cl ZINC000839655054 1026175426 /nfs/dbraw/zinc/17/54/26/1026175426.db2.gz MJKILOOCOFSQLI-LJQANCHMSA-N 0 1 390.867 3.868 20 5 GHBDMN CN1CCN(c2nc(Cl)nc3ccc([N+](=O)[O-])cc32)[C@@H](c2ccccc2)C1 ZINC001163669442 1026274687 /nfs/dbraw/zinc/27/46/87/1026274687.db2.gz QQTFHYCIJHSSLP-QGZVFWFLSA-N 0 1 383.839 3.685 20 5 GHBDMN CN1CCN(c2ccc(-c3ccccc3[N+](=O)[O-])nn2)[C@@H](c2ccccc2)C1 ZINC001163674819 1026278872 /nfs/dbraw/zinc/27/88/72/1026278872.db2.gz SEPWYUCTKSSUEZ-HXUWFJFHSA-N 0 1 375.432 3.545 20 5 GHBDMN Cc1nc([C@@H](C)OC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)n[nH]1 ZINC000840217019 1027352537 /nfs/dbraw/zinc/35/25/37/1027352537.db2.gz AWJWFOXTNJDOCC-NWDGAFQWSA-N 0 1 396.407 3.507 20 5 GHBDMN CN(C)[C@@H](CNC(=O)CCc1ccc([N+](=O)[O-])cc1Cl)c1ccc(F)cc1 ZINC001141925605 1027675902 /nfs/dbraw/zinc/67/59/02/1027675902.db2.gz XKFOUBCDDZPJFE-SFHVURJKSA-N 0 1 393.846 3.739 20 5 GHBDMN C[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)c1cccc(F)c1F ZINC001211093372 1027785562 /nfs/dbraw/zinc/78/55/62/1027785562.db2.gz QFKBXFSHKNQVHR-ZETCQYMHSA-N 0 1 394.758 3.705 20 5 GHBDMN CN(C(=S)Nc1ccc([N+](=O)[O-])cc1)C1CCN(CCC(F)(F)F)CC1 ZINC000840831226 1027867125 /nfs/dbraw/zinc/86/71/25/1027867125.db2.gz LVYARTDELGMAMN-UHFFFAOYSA-N 0 1 390.431 3.640 20 5 GHBDMN CC[C@H](NCC(=O)Nc1nc(-c2ccco2)cs1)c1cccc([N+](=O)[O-])c1 ZINC000181549060 1029035343 /nfs/dbraw/zinc/03/53/43/1029035343.db2.gz OCDLYUDMCYWYJF-AWEZNQCLSA-N 0 1 386.433 3.991 20 5 GHBDMN CN1CCN(c2cncc(Nc3c(Cl)ccc([N+](=O)[O-])c3Cl)c2)CC1 ZINC001215581206 1029291728 /nfs/dbraw/zinc/29/17/28/1029291728.db2.gz ROMSFTLHWXLBAN-UHFFFAOYSA-N 0 1 382.251 3.792 20 5 GHBDMN CC(C)(C)N1CC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC001461526111 1069592072 /nfs/dbraw/zinc/59/20/72/1069592072.db2.gz ACIUFVKIHBMFKW-INIZCTEOSA-N 0 1 383.448 3.990 20 5 GHBDMN CC(C)[C@H](N)c1noc(-c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)n1 ZINC000843150397 1029832728 /nfs/dbraw/zinc/83/27/28/1029832728.db2.gz KAJBJLAYZFXFCD-PXAZEXFGSA-N 0 1 382.424 3.869 20 5 GHBDMN O=[N+]([O-])c1cc(O)ccc1-c1nc(-c2ccc(OCc3ccccc3)cn2)no1 ZINC001216893300 1029983681 /nfs/dbraw/zinc/98/36/81/1029983681.db2.gz COYCQIQLMMFBNP-UHFFFAOYSA-N 0 1 390.355 3.991 20 5 GHBDMN COC(=O)c1c(CO[C@@H]2CCC[N@H+]([C@H](C)c3ccccn3)C2)cccc1[N+](=O)[O-] ZINC001223296398 1030514448 /nfs/dbraw/zinc/51/44/48/1030514448.db2.gz ZQEFTJFHXFKRBW-NVXWUHKLSA-N 0 1 399.447 3.519 20 5 GHBDMN COC(=O)c1c(CO[C@@H]2CCCN([C@H](C)c3ccccn3)C2)cccc1[N+](=O)[O-] ZINC001223296398 1030514458 /nfs/dbraw/zinc/51/44/58/1030514458.db2.gz ZQEFTJFHXFKRBW-NVXWUHKLSA-N 0 1 399.447 3.519 20 5 GHBDMN O=[N+]([O-])c1ccc(CO[C@@H]2CCN(Cc3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 ZINC001224102542 1030886203 /nfs/dbraw/zinc/88/62/03/1030886203.db2.gz ZFOSULJEZABZQW-QGZVFWFLSA-N 0 1 391.811 3.948 20 5 GHBDMN CC(C)=CCc1c(O)cc(O[C@H]2C[C@@H](O)C2)c2c(=O)c3cccc(O)c3oc12 ZINC001218424515 1030933476 /nfs/dbraw/zinc/93/34/76/1030933476.db2.gz YWQXGHLGRFMHOG-BETUJISGSA-N 0 1 382.412 3.768 20 5 GHBDMN Cc1ccc(CN2CC[C@H](NC(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)C2)cc1 ZINC001152419815 1031232775 /nfs/dbraw/zinc/23/27/75/1031232775.db2.gz ULDKLVNOQGWYJX-WBVHZDCISA-N 0 1 385.439 3.537 20 5 GHBDMN CN(C)c1ccccc1-c1noc(-c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)n1 ZINC001213008449 1033579664 /nfs/dbraw/zinc/57/96/64/1033579664.db2.gz LMSAQUBBACKBEP-UHFFFAOYSA-N 0 1 376.376 3.768 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2cc(-c3nc(-c4cccc(-n5cccn5)c4)no3)[nH]n2)cc1 ZINC001213008700 1033604233 /nfs/dbraw/zinc/60/42/33/1033604233.db2.gz YVIRSABTCNMQAU-UHFFFAOYSA-N 0 1 399.370 3.888 20 5 GHBDMN CCCSc1nc(O[C@@H](C)c2ccc(OC)cc2F)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229791214 1033717457 /nfs/dbraw/zinc/71/74/57/1033717457.db2.gz HHVCXLFWVLEBNT-VIFPVBQESA-N 0 1 383.401 3.880 20 5 GHBDMN CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1Nc1ccccc1[N+](=O)[O-] ZINC001206144559 1033740899 /nfs/dbraw/zinc/74/08/99/1033740899.db2.gz NOASOEHOHSMXEW-UHFFFAOYSA-N 0 1 377.422 3.587 20 5 GHBDMN CCOc1cc(NC(=O)N2CCCN(Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC001207130567 1034116296 /nfs/dbraw/zinc/11/62/96/1034116296.db2.gz URGBSYISAGGUBZ-UHFFFAOYSA-N 0 1 398.463 3.733 20 5 GHBDMN CC(C)(C)OC(=O)N1CCC[C@H](F)[C@@H](Oc2cc3[nH]ncc3cc2[N+](=O)[O-])C1 ZINC001230594246 1034138552 /nfs/dbraw/zinc/13/85/52/1034138552.db2.gz DWNSKXUNEAPLMB-LRDDRELGSA-N 0 1 394.403 3.588 20 5 GHBDMN CC(C)(C)OC(=O)N1CCC[C@H](Oc2cc3[nH]ncc3cc2[N+](=O)[O-])[C@H](F)C1 ZINC001230596941 1034139569 /nfs/dbraw/zinc/13/95/69/1034139569.db2.gz XNZKCUOKEQCPMS-DOMZBBRYSA-N 0 1 394.403 3.588 20 5 GHBDMN CC(C)(C)OC(=O)N1CC[C@@]2(CC[C@@H]2Oc2cc3[nH]ncc3cc2[N+](=O)[O-])C1 ZINC001230596918 1034139683 /nfs/dbraw/zinc/13/96/83/1034139683.db2.gz XAVPKIGWORVRRF-LPHOPBHVSA-N 0 1 388.424 3.640 20 5 GHBDMN CC(C)(C)OC(=O)N1CCC2(CC2)[C@@H](Oc2cc3[nH]ncc3cc2[N+](=O)[O-])C1 ZINC001230600515 1034141222 /nfs/dbraw/zinc/14/12/22/1034141222.db2.gz GACUZBWXJJROGX-INIZCTEOSA-N 0 1 388.424 3.640 20 5 GHBDMN Cc1cc(Br)c(O[C@H]2CC[C@H](N3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC001230987246 1034326306 /nfs/dbraw/zinc/32/63/06/1034326306.db2.gz JXKODTJTGRORGB-HDJSIYSDSA-N 0 1 399.285 3.688 20 5 GHBDMN CC(C)c1nc(CNC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)n[nH]1 ZINC001159301363 1034532648 /nfs/dbraw/zinc/53/26/48/1034532648.db2.gz TXCZBYMUJRKZMG-UHFFFAOYSA-N 0 1 380.408 3.510 20 5 GHBDMN CN1CCN(c2cccc(-c3noc(/C=C/c4ccc([N+](=O)[O-])cc4)n3)c2)CC1 ZINC001247597793 1038268058 /nfs/dbraw/zinc/26/80/58/1038268058.db2.gz FMLMZTOYINOMGC-JXMROGBWSA-N 0 1 391.431 3.567 20 5 GHBDMN CCOCc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)cc1 ZINC001252733547 1039111834 /nfs/dbraw/zinc/11/18/34/1039111834.db2.gz VDTGZLOUIZXFLZ-UHFFFAOYSA-N 0 1 384.841 3.894 20 5 GHBDMN O=[N+]([O-])c1ccc(CNC[C@H](O)c2ccccc2Br)c(Cl)c1 ZINC001462338747 1070183610 /nfs/dbraw/zinc/18/36/10/1070183610.db2.gz QCABGMKTMAMWDE-HNNXBMFYSA-N 0 1 385.645 3.834 20 5 GHBDMN CN1CCN(c2cc(-c3nnc(-c4cccc(Cl)c4)o3)cc([N+](=O)[O-])c2)CC1 ZINC001253812401 1039820623 /nfs/dbraw/zinc/82/06/23/1039820623.db2.gz NFKKARZUAVRMQX-UHFFFAOYSA-N 0 1 399.838 3.717 20 5 GHBDMN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CC2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC001254552051 1040319290 /nfs/dbraw/zinc/31/92/90/1040319290.db2.gz IMZTUKVPDYXLKV-INIZCTEOSA-N 0 1 389.496 3.859 20 5 GHBDMN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CC[C@@H](C)N(C(=O)OC(C)(C)C)CC1 ZINC001254552295 1040320878 /nfs/dbraw/zinc/32/08/78/1040320878.db2.gz KCGKYNPRDZSLCH-CVEARBPZSA-N 0 1 377.485 3.857 20 5 GHBDMN O=[N+]([O-])c1ccc2c(c1)C[C@H](NCc1ncc(Cl)cc1Br)C2 ZINC001254574690 1040351753 /nfs/dbraw/zinc/35/17/53/1040351753.db2.gz KFPCXQIVFMRGLW-GFCCVEGCSA-N 0 1 382.645 3.663 20 5 GHBDMN COc1cccc(-c2nc(CN[C@H]3Cc4ccc([N+](=O)[O-])cc4C3)cs2)c1 ZINC001254596721 1040369264 /nfs/dbraw/zinc/36/92/64/1040369264.db2.gz FPNHMQZWQMJDFD-INIZCTEOSA-N 0 1 381.457 3.984 20 5 GHBDMN Cc1csc([C@H]2C[C@@H]3CCN([C@H]4Cc5ccc([N+](=O)[O-])cc5C4)C[C@H]3O2)n1 ZINC001254598277 1040370879 /nfs/dbraw/zinc/37/08/79/1040370879.db2.gz VMWQWWDPVLYZJJ-WQANXHIZSA-N 0 1 385.489 3.679 20 5 GHBDMN CC(C)N1CCN(C(=O)c2ccc(O[C@H](C)c3ccccc3[N+](=O)[O-])cc2)CC1 ZINC001234903676 1040418419 /nfs/dbraw/zinc/41/84/19/1040418419.db2.gz KVMUWBLGNWFKAL-QGZVFWFLSA-N 0 1 397.475 3.901 20 5 GHBDMN CC[C@H]1CN(C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)CCN1Cc1ccccc1 ZINC001296188583 1045277115 /nfs/dbraw/zinc/27/71/15/1045277115.db2.gz LSLMSDRKNJYXFW-WMZOPIPTSA-N 0 1 399.466 3.960 20 5 GHBDMN O=C(NCCc1c2ccccc2[nH]c1C(F)(F)F)c1cc(O)cc([N+](=O)[O-])c1 ZINC001302286630 1046901280 /nfs/dbraw/zinc/90/12/80/1046901280.db2.gz WMUBJGAEGOBPGY-UHFFFAOYSA-N 0 1 393.321 3.773 20 5 GHBDMN CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C(=O)OC(C)C)[nH]n1 ZINC001304101414 1047586841 /nfs/dbraw/zinc/58/68/41/1047586841.db2.gz OXQFIAWBWKYWCF-UHFFFAOYSA-N 0 1 392.437 3.638 20 5 GHBDMN Cc1cccc(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1Br ZINC001307546637 1049388392 /nfs/dbraw/zinc/38/83/92/1049388392.db2.gz XFZOHEZRGPGEEE-CQSZACIVSA-N 0 1 391.269 3.747 20 5 GHBDMN COC[C@H](C)N(Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])[C@@H]1CCc2ccccc21 ZINC001307976684 1049735733 /nfs/dbraw/zinc/73/57/33/1049735733.db2.gz VDGXREBZSAGJCT-YCRPNKLZSA-N 0 1 398.459 3.906 20 5 GHBDMN CCOc1cc(CN[C@@H](CCO)c2ccc(Cl)c(F)c2)ccc1[N+](=O)[O-] ZINC001308000351 1049750577 /nfs/dbraw/zinc/75/05/77/1049750577.db2.gz ROCOLBPXJZSCLN-INIZCTEOSA-N 0 1 382.819 3.999 20 5 GHBDMN O=[N+]([O-])c1cccc(CN[C@@H]2CN(Cc3ccccc3)C[C@H]2C(F)(F)F)c1 ZINC001308076025 1049821978 /nfs/dbraw/zinc/82/19/78/1049821978.db2.gz YMMZRNPCJUDWFR-QZTJIDSGSA-N 0 1 379.382 3.747 20 5 GHBDMN O=C(NCCN1CC=CC1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC001329581449 1050848740 /nfs/dbraw/zinc/84/87/40/1050848740.db2.gz HLCYGXFQYVBFCM-UHFFFAOYSA-N 0 1 387.823 3.642 20 5 GHBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@@](O)(c2ccccc2)C1 ZINC001335103331 1052034092 /nfs/dbraw/zinc/03/40/92/1052034092.db2.gz VSJDJLNKLGAGDL-VFNWGFHPSA-N 0 1 394.431 3.689 20 5 GHBDMN COc1ccc(NC(=O)CN[C@@H](C)c2ccc(Cl)c(F)c2)c([N+](=O)[O-])c1 ZINC001320617921 1055904388 /nfs/dbraw/zinc/90/43/88/1055904388.db2.gz LDLNNPQCXFGODI-JTQLQIEISA-N 0 1 381.791 3.685 20 5 GHBDMN CCN(CC)C(=O)[C@@H](Cc1ccccc1)N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848512994 1057142472 /nfs/dbraw/zinc/14/24/72/1057142472.db2.gz CEHONDDUEXCGKV-VQTJNVASSA-N 0 1 381.476 3.651 20 5 GHBDMN COc1ccc([C@H]2CCCN2C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)cc1 ZINC001440658577 1058562591 /nfs/dbraw/zinc/56/25/91/1058562591.db2.gz MJBOIBZWJAGOCK-HXUWFJFHSA-N 0 1 392.415 3.971 20 5 GHBDMN CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](CC)N1CCc2ccccc2C1 ZINC001441239662 1058734178 /nfs/dbraw/zinc/73/41/78/1058734178.db2.gz JWACOSVYDPYWAT-SFHVURJKSA-N 0 1 397.475 3.560 20 5 GHBDMN CC(C)(C)c1ccc(-c2n[nH]c(NC(=O)Cc3ccc(F)cc3[N+](=O)[O-])n2)cc1 ZINC001442715512 1058997759 /nfs/dbraw/zinc/99/77/59/1058997759.db2.gz IMZOVCHGUONLSW-UHFFFAOYSA-N 0 1 397.410 3.998 20 5 GHBDMN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCc1ccc2nc[nH]c2c1 ZINC001449976942 1060496463 /nfs/dbraw/zinc/49/64/63/1060496463.db2.gz GKFNVAOZOSSKJE-UHFFFAOYSA-N 0 1 376.825 3.533 20 5 GHBDMN C[C@@H](c1nc2ccc(Cl)cc2[nH]1)N(C)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC001449983401 1060496752 /nfs/dbraw/zinc/49/67/52/1060496752.db2.gz QSKSWARHTLQKDN-NSHDSACASA-N 0 1 387.827 3.756 20 5 GHBDMN CC(C)c1ccc(C(=O)N2CCc3nc[nH]c3[C@@H]2c2cccnc2)cc1[N+](=O)[O-] ZINC001452330798 1060924867 /nfs/dbraw/zinc/92/48/67/1060924867.db2.gz CNBJFUGDWAJGQB-FQEVSTJZSA-N 0 1 391.431 3.624 20 5 GHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC(Cc2ccccc2C(F)(F)F)C1 ZINC001342016931 1060998021 /nfs/dbraw/zinc/99/80/21/1060998021.db2.gz HHTNHXITHTWMIC-UHFFFAOYSA-N 0 1 380.322 3.634 20 5 GHBDMN O=C(Nc1cccc(-c2nnsc2Cl)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC001454194262 1061643859 /nfs/dbraw/zinc/64/38/59/1061643859.db2.gz YMHLUBGCLIQHSW-UHFFFAOYSA-N 0 1 376.781 3.725 20 5 GHBDMN CC[C@H](CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)Oc1cccc(Cl)c1 ZINC001435454268 1062626324 /nfs/dbraw/zinc/62/63/24/1062626324.db2.gz GAOOGYNFNQCXFB-CYBMUJFWSA-N 0 1 388.811 3.712 20 5 GHBDMN CN1CCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C2(CCCCC2)C1 ZINC001456913415 1062916113 /nfs/dbraw/zinc/91/61/13/1062916113.db2.gz QVYHCRAOIFMIMN-UHFFFAOYSA-N 0 1 386.279 3.992 20 5 GHBDMN COCCN(Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)[C@H]1CC[C@@H](C)C1 ZINC001473436662 1067557399 /nfs/dbraw/zinc/55/73/99/1067557399.db2.gz VLETZYMMKOYBSL-OCCSQVGLSA-N 0 1 394.859 3.935 20 5 GHBDMN CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CCCCC[C@@H]2CO)cc1OC ZINC001460315492 1068921102 /nfs/dbraw/zinc/92/11/02/1068921102.db2.gz RWGBEFIVKJKOMH-NVXWUHKLSA-N 0 1 380.485 3.765 20 5 GHBDMN Cc1cccc(CN2CC[C@@H](NC(=O)c3cc(Cl)c(C)cc3[N+](=O)[O-])C2)c1 ZINC001470714454 1072700623 /nfs/dbraw/zinc/70/06/23/1072700623.db2.gz XTFGCXXHBBWRPE-MRXNPFEDSA-N 0 1 387.867 3.869 20 5 GHBDMN CCc1[nH]nc(C(=O)N2CC[C@H](c3ccccc3Cl)C2(C)C)c1[N+](=O)[O-] ZINC001471543015 1073123407 /nfs/dbraw/zinc/12/34/07/1073123407.db2.gz RYFQFMIPFBVGPW-GFCCVEGCSA-N 0 1 376.844 3.942 20 5 GHBDMN O=[N+]([O-])c1cnc2c(Cl)cccc2c1NCc1n[nH]c(-c2ccccc2)n1 ZINC001472682526 1073615647 /nfs/dbraw/zinc/61/56/47/1073615647.db2.gz UWYRKAFYGNFVSW-UHFFFAOYSA-N 0 1 380.795 3.616 20 5 GHBDMN O=[N+]([O-])c1cnc2c(Cl)cccc2c1NCc1nc(-c2ccccc2)n[nH]1 ZINC001472682526 1073615657 /nfs/dbraw/zinc/61/56/57/1073615657.db2.gz UWYRKAFYGNFVSW-UHFFFAOYSA-N 0 1 380.795 3.616 20 5 GHBDMN CCOc1ccc(NC(=O)CN(C)[C@H](CC)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC001473194368 1073846323 /nfs/dbraw/zinc/84/63/23/1073846323.db2.gz BUSNVENIFGKFQG-QGZVFWFLSA-N 0 1 385.464 3.885 20 5 GHBDMN CCCN(Cc1ccc(OC)cc1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC001473714832 1074103360 /nfs/dbraw/zinc/10/33/60/1074103360.db2.gz LDXQLAFXKAHZLZ-HXUWFJFHSA-N 0 1 383.448 3.621 20 5 GHBDMN CC[C@H](N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1cccc(OC)c1OC ZINC001473733014 1074114743 /nfs/dbraw/zinc/11/47/43/1074114743.db2.gz RYLRHJYWUFBLSE-DYVFJYSZSA-N 0 1 387.436 3.680 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@H]1[C@@H](C)c1ccccc1 ZINC001473818677 1074159288 /nfs/dbraw/zinc/15/92/88/1074159288.db2.gz RXYUSHPLIOQDON-KXBFYZLASA-N 0 1 383.448 3.810 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2ccc(CNCc3ccccc3N3CCOCC3)o2)cc1 ZINC001473961698 1074219493 /nfs/dbraw/zinc/21/94/93/1074219493.db2.gz NMAKSAKBSYUDLP-UHFFFAOYSA-N 0 1 393.443 3.981 20 5 GHBDMN CCOc1ccc([N+](=O)[O-])cc1CN[C@H]1C[C@H](C(=O)OCc2ccccc2)C1 ZINC001474243524 1074307734 /nfs/dbraw/zinc/30/77/34/1074307734.db2.gz OTQVUJYISRHLRU-SAABIXHNSA-N 0 1 384.432 3.605 20 5 GHBDMN C[C@@H]1CN(c2ccccc2CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)CCO1 ZINC001474318150 1074340004 /nfs/dbraw/zinc/34/00/04/1074340004.db2.gz AKUGEBLLHFXDLH-QGZVFWFLSA-N 0 1 381.476 3.985 20 5 GHBDMN C[C@@H](c1cccc(Nc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000736718261 600161791 /nfs/dbraw/zinc/16/17/91/600161791.db2.gz SBXYHGYLXWPTCK-VFADXPBXSA-N 0 1 397.431 3.829 20 5 GHBDMN C[C@H](c1cccc(Nc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000736718260 600161890 /nfs/dbraw/zinc/16/18/90/600161890.db2.gz SBXYHGYLXWPTCK-PMGBHYCQSA-N 0 1 397.431 3.829 20 5 GHBDMN COc1cccc(OC)c1OCCCCN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000581690135 837580346 /nfs/dbraw/zinc/58/03/46/837580346.db2.gz XIVJFRQKXUQKIC-UHFFFAOYSA-N 0 1 386.448 3.829 20 5 GHBDMN COc1ccc(CN[C@@H](C)c2cn[nH]c2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000536051818 834502274 /nfs/dbraw/zinc/50/22/74/834502274.db2.gz IYFGIRUSGJXTMN-AWEZNQCLSA-N 0 1 382.420 3.756 20 5 GHBDMN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2CCC(F)(F)F)cs1 ZINC000120285617 835059518 /nfs/dbraw/zinc/05/95/18/835059518.db2.gz HLBLQWCYTVRZLJ-UHFFFAOYSA-N 0 1 380.369 3.952 20 5 GHBDMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000128267957 835086670 /nfs/dbraw/zinc/08/66/70/835086670.db2.gz XDEWJTRDPJVPLF-UHFFFAOYSA-N 0 1 388.855 3.561 20 5 GHBDMN CN(C)[C@H](CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1cccs1 ZINC000178994583 835184880 /nfs/dbraw/zinc/18/48/80/835184880.db2.gz KKIVDHRXKUMPDS-QGZVFWFLSA-N 0 1 388.493 3.633 20 5 GHBDMN O=C(CSc1nc(-c2cc(F)cc(F)c2)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000610219825 835227962 /nfs/dbraw/zinc/22/79/62/835227962.db2.gz WYZFFKLOEVNJSI-UHFFFAOYSA-N 0 1 376.344 3.633 20 5 GHBDMN CN(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000278552975 835372238 /nfs/dbraw/zinc/37/22/38/835372238.db2.gz ZJHGCRNYYVTSKV-QFBILLFUSA-N 0 1 389.383 3.994 20 5 GHBDMN Cc1cc(-c2noc(CCCNc3ccc([N+](=O)[O-])cc3)n2)cc2nc[nH]c21 ZINC000584085634 835568833 /nfs/dbraw/zinc/56/88/33/835568833.db2.gz RKLMREKYFDNCFM-UHFFFAOYSA-N 0 1 378.392 3.874 20 5 GHBDMN Cc1ccc(NC(=O)C[C@@H](C)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)c(C)c1 ZINC000278692137 835805594 /nfs/dbraw/zinc/80/55/94/835805594.db2.gz MWRRBVVVTDVNSN-CQSZACIVSA-N 0 1 381.436 3.595 20 5 GHBDMN O=C(c1ccc(CN2CCSCC2)cc1)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000162166791 835895541 /nfs/dbraw/zinc/89/55/41/835895541.db2.gz XENNUZNDYRBNLO-UHFFFAOYSA-N 0 1 397.500 3.737 20 5 GHBDMN O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccc(Cl)c(Br)c2)cc1 ZINC000236057280 835932372 /nfs/dbraw/zinc/93/23/72/835932372.db2.gz IWJLELUMGCXJFX-UHFFFAOYSA-N 0 1 391.630 3.812 20 5 GHBDMN CCOc1ccccc1[C@@H](CC)NCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000179739394 835958745 /nfs/dbraw/zinc/95/87/45/835958745.db2.gz CJIQLLVWJRRQID-MRXNPFEDSA-N 0 1 387.436 3.682 20 5 GHBDMN CC(C)c1nnc(-c2ccccc2NC(=O)CNc2ccccc2[N+](=O)[O-])[nH]1 ZINC000065876419 836070919 /nfs/dbraw/zinc/07/09/19/836070919.db2.gz CDNBPGVGLWZXOQ-UHFFFAOYSA-N 0 1 380.408 3.554 20 5 GHBDMN CC[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1ccc(OC)c(OC)c1 ZINC000510226000 836845405 /nfs/dbraw/zinc/84/54/05/836845405.db2.gz YNZBUPMFQQHBEN-INIZCTEOSA-N 0 1 387.436 3.600 20 5 GHBDMN CCOc1ccc2nc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)[nH]c2c1 ZINC000005667468 836872871 /nfs/dbraw/zinc/87/28/71/836872871.db2.gz WJKWEAZGSDGDGP-UHFFFAOYSA-N 0 1 386.433 3.909 20 5 GHBDMN Cc1nc2c(n1[C@@H]1CCN(C(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)C1)CCCC2 ZINC000275561567 837238163 /nfs/dbraw/zinc/23/81/63/837238163.db2.gz HONPILSCUQFUPJ-OAHLLOKOSA-N 0 1 393.447 3.547 20 5 GHBDMN C[C@@H](Sc1nc(-c2cccnc2)n[nH]1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000127408760 844254339 /nfs/dbraw/zinc/25/43/39/844254339.db2.gz XVGDAGKNIUHDNS-SNVBAGLBSA-N 0 1 395.404 3.678 20 5 GHBDMN COc1cc(NC2CCN(Cc3cccc([N+](=O)[O-])c3C)CC2)cc(OC)c1 ZINC000177371452 837926757 /nfs/dbraw/zinc/92/67/57/837926757.db2.gz UWLXZSSZSGGVAD-UHFFFAOYSA-N 0 1 385.464 3.997 20 5 GHBDMN Cc1ccc(C[C@H](CO)NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000188966080 838021795 /nfs/dbraw/zinc/02/17/95/838021795.db2.gz PXDQSCPTNAEPLF-QGZVFWFLSA-N 0 1 383.473 3.720 20 5 GHBDMN CN(c1ccccc1)c1ccc(C[N@H+]2CCC[C@H](CCC(N)=O)C2)cc1[N+](=O)[O-] ZINC000122684220 838114546 /nfs/dbraw/zinc/11/45/46/838114546.db2.gz IOOJKJARBDVOEW-QGZVFWFLSA-N 0 1 396.491 3.840 20 5 GHBDMN CN(c1ccccc1)c1ccc(CN2CCC[C@H](CCC(N)=O)C2)cc1[N+](=O)[O-] ZINC000122684220 838114550 /nfs/dbraw/zinc/11/45/50/838114550.db2.gz IOOJKJARBDVOEW-QGZVFWFLSA-N 0 1 396.491 3.840 20 5 GHBDMN CC[C@@H](C)N(CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)Cc1ccccc1 ZINC000102670782 838182996 /nfs/dbraw/zinc/18/29/96/838182996.db2.gz PBLCOFCBFGKVKG-CQSZACIVSA-N 0 1 385.420 3.563 20 5 GHBDMN COc1ccccc1[C@H](C)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000103201236 838376979 /nfs/dbraw/zinc/37/69/79/838376979.db2.gz APVRSLCGSXLHHW-GFCCVEGCSA-N 0 1 381.392 3.521 20 5 GHBDMN Cc1cc(C)c(NS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)n1 ZINC000414463762 838378336 /nfs/dbraw/zinc/37/83/36/838378336.db2.gz WNGMAZFDADYPHU-UHFFFAOYSA-N 0 1 389.355 3.735 20 5 GHBDMN O=[N+]([O-])c1cccc([C@@H](O)CSc2nc(-c3ccc(Cl)cc3)n[nH]2)c1 ZINC000136847169 838969073 /nfs/dbraw/zinc/96/90/73/838969073.db2.gz AHSRZLYXNCFALW-AWEZNQCLSA-N 0 1 376.825 3.859 20 5 GHBDMN C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000549173745 839160899 /nfs/dbraw/zinc/16/08/99/839160899.db2.gz UTGZWWXFLJUJJN-PFAOJVKKSA-N 0 1 385.508 3.543 20 5 GHBDMN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cnn(-c2ccncc2)c1 ZINC000610477871 840713934 /nfs/dbraw/zinc/71/39/34/840713934.db2.gz DPVITZINXRTZRD-UHFFFAOYSA-N 0 1 380.408 3.618 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000120582797 844579670 /nfs/dbraw/zinc/57/96/70/844579670.db2.gz YLHNWAGQJIGTRT-LLVKDONJSA-N 0 1 397.353 3.912 20 5 GHBDMN COc1ccc([C@H](C)N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)c(C)c1OC ZINC000581361658 841159431 /nfs/dbraw/zinc/15/94/31/841159431.db2.gz MRDWPTDDHQVVMG-UONOGXRCSA-N 0 1 387.436 3.598 20 5 GHBDMN Cc1cccc2nc(CCC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)[nH]c21 ZINC000135188755 841365576 /nfs/dbraw/zinc/36/55/76/841365576.db2.gz NEOIGUAICKCEEL-UHFFFAOYSA-N 0 1 378.432 3.903 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@@H](c3ccc(F)c(F)c3)C2)c1[N+](=O)[O-] ZINC000600184942 861208030 /nfs/dbraw/zinc/20/80/30/861208030.db2.gz IWCYHBMFVVFCQW-GFCCVEGCSA-N 0 1 378.379 3.739 20 5 GHBDMN Cc1cc(N2CCCN(C(=O)c3ccccc3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302161218 861226630 /nfs/dbraw/zinc/22/66/30/861226630.db2.gz JUGQSHJIYZMAMJ-UHFFFAOYSA-N 0 1 390.443 3.804 20 5 GHBDMN CN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@@H](c1ccccc1)C(F)(F)F ZINC000487354142 841735414 /nfs/dbraw/zinc/73/54/14/841735414.db2.gz PIEYDKRQPZYRMG-HNNXBMFYSA-N 0 1 378.310 3.847 20 5 GHBDMN C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000489832400 861253510 /nfs/dbraw/zinc/25/35/10/861253510.db2.gz AOKYCLWZGXHZBD-MRXNPFEDSA-N 0 1 384.480 3.650 20 5 GHBDMN CC(C)CN(CCc1ccc(F)cc1)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000610917490 842522453 /nfs/dbraw/zinc/52/24/53/842522453.db2.gz YBMWGFLRXOKSBV-UHFFFAOYSA-N 0 1 376.432 3.921 20 5 GHBDMN Cc1ccccc1CN(Cc1cccnc1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000432472804 842608445 /nfs/dbraw/zinc/60/84/45/842608445.db2.gz HKUVMGCJXOCSRI-UHFFFAOYSA-N 0 1 377.400 3.846 20 5 GHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N(CCc1ccccc1)Cc1cccnc1 ZINC000432491015 842680191 /nfs/dbraw/zinc/68/01/91/842680191.db2.gz UVGSIYJIPHMNPX-UHFFFAOYSA-N 0 1 377.400 3.581 20 5 GHBDMN Cn1c(C(=O)Nc2ccc3nc(-c4ccc(F)cc4)[nH]c3c2)ccc1[N+](=O)[O-] ZINC000603903121 861360951 /nfs/dbraw/zinc/36/09/51/861360951.db2.gz RLEPPPKUBRGOGR-UHFFFAOYSA-N 0 1 379.351 3.868 20 5 GHBDMN Cc1ccc(C[NH+]2CCCC2)cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000178403085 843717392 /nfs/dbraw/zinc/71/73/92/843717392.db2.gz CAKCKVGFAYWGOC-UHFFFAOYSA-N 0 1 389.477 3.608 20 5 GHBDMN CCOc1cc(CN[C@@H](C)c2ccc(N3CCOC3=O)cc2)ccc1[N+](=O)[O-] ZINC000276914508 843722253 /nfs/dbraw/zinc/72/22/53/843722253.db2.gz NZSPZXVIDHXKKS-AWEZNQCLSA-N 0 1 385.420 3.801 20 5 GHBDMN CO[C@H](c1ccccc1Cl)[C@@H](C)NCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000481490999 861516898 /nfs/dbraw/zinc/51/68/98/861516898.db2.gz DBWUMLJLDPQVJU-YJYMSZOUSA-N 0 1 391.855 3.861 20 5 GHBDMN CC1(C)C[C@@H](N[C@H]2CCN(Cc3ccc(F)cc3)C2=O)c2cc([N+](=O)[O-])ccc21 ZINC000433062355 845107580 /nfs/dbraw/zinc/10/75/80/845107580.db2.gz OFXTVTCEVCKEHZ-VQTJNVASSA-N 0 1 397.450 3.847 20 5 GHBDMN Cc1ccc(-c2nsc(NC(=O)c3n[nH]c(C(C)C)c3[N+](=O)[O-])n2)s1 ZINC000433754041 845279777 /nfs/dbraw/zinc/27/97/77/845279777.db2.gz PZRUWYJJBHGESH-UHFFFAOYSA-N 0 1 378.439 3.582 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCN(CCCOCC(F)(F)F)CC1 ZINC000182692749 845509445 /nfs/dbraw/zinc/50/94/45/845509445.db2.gz GIJAFFUZBCHMMV-OAHLLOKOSA-N 0 1 389.418 3.551 20 5 GHBDMN CC1(C)C[C@@H](NCc2ccccc2N2CCOCC2)c2cc([N+](=O)[O-])ccc21 ZINC000433145605 845513754 /nfs/dbraw/zinc/51/37/54/845513754.db2.gz HYNJCFDPHBJHLV-HXUWFJFHSA-N 0 1 381.476 3.944 20 5 GHBDMN CCCN(Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])C[C@H]1CCCCO1 ZINC000513503096 845560166 /nfs/dbraw/zinc/56/01/66/845560166.db2.gz LDNFHAHIEQXOKI-CQSZACIVSA-N 0 1 388.411 3.986 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N(C)Cc2cccc(OC(F)(F)F)c2)c1[N+](=O)[O-] ZINC000433937304 845653792 /nfs/dbraw/zinc/65/37/92/845653792.db2.gz SCVODHOFVSJVGP-UHFFFAOYSA-N 0 1 386.330 3.612 20 5 GHBDMN CCN1CCN(c2ccccc2NC(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000421428055 846232212 /nfs/dbraw/zinc/23/22/12/846232212.db2.gz QEFIUMSEKNRTRR-UHFFFAOYSA-N 0 1 382.464 3.606 20 5 GHBDMN CCC[N@@H+](C)[C@H](CNc1nc(C(=O)[O-])ccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000582124775 846420727 /nfs/dbraw/zinc/42/07/27/846420727.db2.gz SOYXJWJDPAZIKK-MRXNPFEDSA-N 0 1 392.843 3.836 20 5 GHBDMN COc1ccccc1C[C@@H](C)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000502974174 846660450 /nfs/dbraw/zinc/66/04/50/846660450.db2.gz TXLNICHJLNSUPC-CYBMUJFWSA-N 0 1 395.419 3.596 20 5 GHBDMN Cc1cc(S(=O)(=O)Nc2ccccc2C(=O)OC(C)C)cc([N+](=O)[O-])c1C ZINC000503052746 846768820 /nfs/dbraw/zinc/76/88/20/846768820.db2.gz LTZZKAGCQHILNB-UHFFFAOYSA-N 0 1 392.433 3.578 20 5 GHBDMN Cc1[nH]c(SCC(=O)NCc2cccc([N+](=O)[O-])c2)nc1Cc1ccccc1 ZINC000067331432 847129155 /nfs/dbraw/zinc/12/91/55/847129155.db2.gz UGEIUYZZKDKKDR-UHFFFAOYSA-N 0 1 396.472 3.626 20 5 GHBDMN CC(C)CN1Cc2cccc(NC(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)c2C1 ZINC000158360665 847343801 /nfs/dbraw/zinc/34/38/01/847343801.db2.gz UKVLZMHTRPXQBH-UHFFFAOYSA-N 0 1 379.420 3.695 20 5 GHBDMN Cc1nn(-c2ccccc2)c(Cl)c1CNCCOc1ccc([N+](=O)[O-])cc1 ZINC000731678535 861807375 /nfs/dbraw/zinc/80/73/75/861807375.db2.gz HIASYSBPPWPCJB-UHFFFAOYSA-N 0 1 386.839 3.911 20 5 GHBDMN CCOC(=O)c1cc(NCc2ccc(CN(C)C)c(F)c2)ccc1[N+](=O)[O-] ZINC000135205799 848107260 /nfs/dbraw/zinc/10/72/60/848107260.db2.gz ZTAWSAQXRMSDCZ-UHFFFAOYSA-N 0 1 375.400 3.584 20 5 GHBDMN Cc1ccc(NC(=O)NC(=O)[C@H](C)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(C)c1 ZINC000178689858 848549247 /nfs/dbraw/zinc/54/92/47/848549247.db2.gz NSJVBTGHJSVLRI-HOTGVXAUSA-N 0 1 398.463 3.907 20 5 GHBDMN CCC[C@H](NCC(=O)N[C@@H]1CCOc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000503906086 849768028 /nfs/dbraw/zinc/76/80/28/849768028.db2.gz YLFNYWXZAAEIPM-RBUKOAKNSA-N 0 1 383.448 3.666 20 5 GHBDMN O=C(NCC1(c2ccc(Cl)cc2Cl)CCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000504181035 849944627 /nfs/dbraw/zinc/94/46/27/849944627.db2.gz KJIULMMMIRNZAY-UHFFFAOYSA-N 0 1 383.235 3.867 20 5 GHBDMN COc1cccc([C@@H]2C[C@H](C)CN2C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)c1 ZINC000504367248 850046897 /nfs/dbraw/zinc/04/68/97/850046897.db2.gz BOJAEPDTIQFWQC-SGTLLEGYSA-N 0 1 380.404 3.703 20 5 GHBDMN CN(C)C[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000600472738 862088340 /nfs/dbraw/zinc/08/83/40/862088340.db2.gz PIGOSECRTWZYIJ-INIZCTEOSA-N 0 1 396.274 3.863 20 5 GHBDMN O=[N+]([O-])c1ccc(Nc2ccccc2)c(NS(=O)(=O)CCOCC2CC2)c1 ZINC000424061940 850197412 /nfs/dbraw/zinc/19/74/12/850197412.db2.gz FRKVMKRFCMIMSV-UHFFFAOYSA-N 0 1 391.449 3.507 20 5 GHBDMN Cc1ccccc1[C@H](CC(F)(F)F)NC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000444784477 862127939 /nfs/dbraw/zinc/12/79/39/862127939.db2.gz NYYYXWRZMGMGLH-ZBFHGGJFSA-N 0 1 398.381 3.926 20 5 GHBDMN COCCN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)[C@@H]1CCOC1 ZINC000426525419 850565681 /nfs/dbraw/zinc/56/56/81/850565681.db2.gz WBLXUQIBAYPQPQ-CQSZACIVSA-N 0 1 380.828 3.746 20 5 GHBDMN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)c1cc(Br)cc2nc[nH]c21 ZINC000505096843 850602944 /nfs/dbraw/zinc/60/29/44/850602944.db2.gz USBLMBXULKSRIK-UHFFFAOYSA-N 0 1 379.145 3.625 20 5 GHBDMN C[C@H]1CCC[C@H](C)N1CCNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000519297689 850882727 /nfs/dbraw/zinc/88/27/27/850882727.db2.gz BYENRNDTZPWFHE-HOTGVXAUSA-N 0 1 377.488 3.674 20 5 GHBDMN CCc1nc(C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)ccc1C(=O)[O-] ZINC000426637192 851081126 /nfs/dbraw/zinc/08/11/26/851081126.db2.gz KMUXLHXHQYTUBH-UHFFFAOYSA-N 0 1 381.388 3.800 20 5 GHBDMN CC[C@](NCc1cc(O)ccc1[N+](=O)[O-])(C(=O)OC)c1ccc(Cl)cc1 ZINC000550096607 851535041 /nfs/dbraw/zinc/53/50/41/851535041.db2.gz IVIADBZVKGGSJP-GOSISDBHSA-N 0 1 378.812 3.522 20 5 GHBDMN Cc1c(NC(=O)[C@H](C)N2CC3(CCC3)[C@H]2C2CCOCC2)cccc1[N+](=O)[O-] ZINC000425546321 851613679 /nfs/dbraw/zinc/61/36/79/851613679.db2.gz DPXMMRLLYPVBQT-HNAYVOBHSA-N 0 1 387.480 3.511 20 5 GHBDMN COc1cc(-c2nc3cc(Br)ccc3n2C)cc([N+](=O)[O-])c1O ZINC000436654120 852145727 /nfs/dbraw/zinc/14/57/27/852145727.db2.gz DSDZEJITKPZHFD-UHFFFAOYSA-N 0 1 378.182 3.625 20 5 GHBDMN C[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C1CCN(c2cnccn2)CC1 ZINC000550000102 852316394 /nfs/dbraw/zinc/31/63/94/852316394.db2.gz OAXQUKWJAQIABC-UHFFFAOYSA-N 0 1 395.385 3.504 20 5 GHBDMN O=[N+]([O-])c1cccc(CN(C[C@@H](O)COc2ccc(Cl)cc2)C2CC2)c1 ZINC000490139587 852787593 /nfs/dbraw/zinc/78/75/93/852787593.db2.gz MGRXIMILRFJNAO-GOSISDBHSA-N 0 1 376.840 3.653 20 5 GHBDMN CCc1ccc(C(=O)CCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1 ZINC000490366763 852966221 /nfs/dbraw/zinc/96/62/21/852966221.db2.gz LOVIKVMKUGBXHW-UHFFFAOYSA-N 0 1 393.403 3.544 20 5 GHBDMN COc1cc(CN(C)CC2(O)CCCCCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000426217571 853061321 /nfs/dbraw/zinc/06/13/21/853061321.db2.gz VPSLRZOLHQRPMM-UHFFFAOYSA-N 0 1 388.411 3.722 20 5 GHBDMN C[C@@H](c1ccccc1Cl)[NH+]1CCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000518381146 853278367 /nfs/dbraw/zinc/27/83/67/853278367.db2.gz IMQAVBKXUUMAJT-ZDUSSCGKSA-N 0 1 389.839 3.830 20 5 GHBDMN O=C(NCCCc1ccc(Br)cc1F)c1cc(O)cc([N+](=O)[O-])c1 ZINC000506502108 853374554 /nfs/dbraw/zinc/37/45/54/853374554.db2.gz IPEOJVAJHURTJM-UHFFFAOYSA-N 0 1 397.200 3.565 20 5 GHBDMN CN(C(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000519668597 853375680 /nfs/dbraw/zinc/37/56/80/853375680.db2.gz PCPRBWZIRLGWTM-SFHVURJKSA-N 0 1 389.402 3.715 20 5 GHBDMN O=C(Oc1cccc(OCc2cccc(C(F)(F)F)c2)c1)[C@@H]1CC1[N+](=O)[O-] ZINC001126495877 853536489 /nfs/dbraw/zinc/53/64/89/853536489.db2.gz AXAHZGRUCPFRLD-HZPDHXFCSA-N 0 1 381.306 3.855 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C)c1ccc(SC)cc1 ZINC000439486294 853695883 /nfs/dbraw/zinc/69/58/83/853695883.db2.gz WEVKBTLKXYBNGG-GFCCVEGCSA-N 0 1 375.450 3.615 20 5 GHBDMN COc1ccc(NC(=O)CN[C@H](C)c2ccc(SC)cc2)c([N+](=O)[O-])c1 ZINC000439484609 853711215 /nfs/dbraw/zinc/71/12/15/853711215.db2.gz PTBPDJNUHOPKCK-GFCCVEGCSA-N 0 1 375.450 3.615 20 5 GHBDMN CCc1cc(CNC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccc(OC)cc2)n[nH]1 ZINC000732790663 862496558 /nfs/dbraw/zinc/49/65/58/862496558.db2.gz JQKCGUOJFXENRF-UHFFFAOYSA-N 0 1 396.403 3.611 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N(C)[C@@H]2C[C@@H](Oc3ccccc3)C2(C)C)c1[N+](=O)[O-] ZINC000588778436 854415430 /nfs/dbraw/zinc/41/54/30/854415430.db2.gz IZDNEXVJUYMFGH-HUUCEWRRSA-N 0 1 386.452 3.759 20 5 GHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC[C@@H]1Cc1ccccc1Cl ZINC000056276756 854614091 /nfs/dbraw/zinc/61/40/91/854614091.db2.gz WJEWUBSVASPUAW-CYBMUJFWSA-N 0 1 384.823 3.972 20 5 GHBDMN O=C(N[C@@H](CCc1ccccc1)C(F)(F)F)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000482045426 862656640 /nfs/dbraw/zinc/65/66/40/862656640.db2.gz HLPUUJJCESBRTC-HNNXBMFYSA-N 0 1 392.337 3.765 20 5 GHBDMN COc1ccc(NC(=O)C[C@@H](C)NCc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000184663627 855479926 /nfs/dbraw/zinc/47/99/26/855479926.db2.gz TZZFVTHFCDFMGY-GFCCVEGCSA-N 0 1 377.828 3.764 20 5 GHBDMN Cn1cc(-c2nc(CN3CCC[C@@H](c4ccc([N+](=O)[O-])cc4)C3)cs2)cn1 ZINC000590757327 855565000 /nfs/dbraw/zinc/56/50/00/855565000.db2.gz OFXQLFLGWSIUNZ-OAHLLOKOSA-N 0 1 383.477 3.831 20 5 GHBDMN O=C(CN1CC[C@@H]2CCC[C@@H]21)Nc1cc(N2CC[C@H]3CCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000591029758 855726228 /nfs/dbraw/zinc/72/62/28/855726228.db2.gz KLTBOYYQXYVOGJ-JSJNYSNDSA-N 0 1 398.507 3.787 20 5 GHBDMN O=C1[C@@H](NCc2ccc([N+](=O)[O-])cc2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000542775654 855742037 /nfs/dbraw/zinc/74/20/37/855742037.db2.gz TWITWAUXFGOWNM-INIZCTEOSA-N 0 1 380.231 3.797 20 5 GHBDMN C[C@@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)[C@H](C)CN1Cc1ccccc1 ZINC000499439645 856331636 /nfs/dbraw/zinc/33/16/36/856331636.db2.gz XFBVQKPNXWZLID-QZTJIDSGSA-N 0 1 381.476 3.649 20 5 GHBDMN COC(=O)c1cc(NC[C@@H](C)N2CCc3sccc3C2)cc(C)c1[N+](=O)[O-] ZINC000301627225 856440193 /nfs/dbraw/zinc/44/01/93/856440193.db2.gz AARODRXAVGQBSE-CYBMUJFWSA-N 0 1 389.477 3.610 20 5 GHBDMN Cc1ccc(S(=O)(=O)Nc2cc(Br)ccc2F)c([N+](=O)[O-])c1 ZINC000110590497 856612479 /nfs/dbraw/zinc/61/24/79/856612479.db2.gz YJXMIQQVZJYCMC-UHFFFAOYSA-N 0 1 389.202 3.606 20 5 GHBDMN COc1cccc(OC)c1OC1CCN(Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000520784053 856670537 /nfs/dbraw/zinc/67/05/37/856670537.db2.gz NIDSVPIOJVCOCC-UHFFFAOYSA-N 0 1 386.448 3.964 20 5 GHBDMN Cc1ccc2nc([C@@H]3CCCN3C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)[nH]c2c1 ZINC000142291264 856716193 /nfs/dbraw/zinc/71/61/93/856716193.db2.gz ACDUCEJBJGSDBZ-KRWDZBQOSA-N 0 1 390.403 3.633 20 5 GHBDMN O=C(C=Cc1ccc([N+](=O)[O-])cc1)N1CCC(c2ncc(C(F)(F)F)[nH]2)CC1 ZINC000134081135 862835283 /nfs/dbraw/zinc/83/52/83/862835283.db2.gz KITUDULKGKACDA-ZZXKWVIFSA-N 0 1 394.353 3.756 20 5 GHBDMN CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CCC(CCO)CC2)cc1OC ZINC000542916894 856801808 /nfs/dbraw/zinc/80/18/08/856801808.db2.gz YQPJYIAKLJOZLQ-OAHLLOKOSA-N 0 1 380.485 3.623 20 5 GHBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(Cl)ccc1NC(C)=O ZINC000058495049 856895486 /nfs/dbraw/zinc/89/54/86/856895486.db2.gz LRUDGUCGPCMJRB-UHFFFAOYSA-N 0 1 397.840 3.570 20 5 GHBDMN C[C@H](c1cccc(Br)c1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000485673026 856910576 /nfs/dbraw/zinc/91/05/76/856910576.db2.gz SBBXHXWYCNKGQI-DOMZBBRYSA-N 0 1 391.269 4.000 20 5 GHBDMN CC[C@@H](Nc1cccc(CN2CCC[C@H]2C(N)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000245738389 857155220 /nfs/dbraw/zinc/15/52/20/857155220.db2.gz LHQMGGKVOOXZFT-UXHICEINSA-N 0 1 382.464 3.608 20 5 GHBDMN COc1ccccc1C[C@@H](C)[N@@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000174035732 857200879 /nfs/dbraw/zinc/20/08/79/857200879.db2.gz LIJUUJQQURZVEF-CQSZACIVSA-N 0 1 382.420 3.716 20 5 GHBDMN COc1ccccc1C[C@@H](C)N(C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000174035732 857200889 /nfs/dbraw/zinc/20/08/89/857200889.db2.gz LIJUUJQQURZVEF-CQSZACIVSA-N 0 1 382.420 3.716 20 5 GHBDMN O=C(c1cc(-c2ccc(F)cc2)[nH]n1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000486019074 857339321 /nfs/dbraw/zinc/33/93/21/857339321.db2.gz SWYYDJWQEDDYKV-UHFFFAOYSA-N 0 1 380.379 3.929 20 5 GHBDMN C[C@H]1C[C@H]1c1ccc(CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C2CC2)o1 ZINC000027281861 857756118 /nfs/dbraw/zinc/75/61/18/857756118.db2.gz DFYPOFAMUYWDFS-XHDPSFHLSA-N 0 1 380.404 3.992 20 5 GHBDMN Cc1csc(-c2cccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)c2)n1 ZINC000442345044 857757986 /nfs/dbraw/zinc/75/79/86/857757986.db2.gz XLOMWYPJENJCDO-UHFFFAOYSA-N 0 1 375.431 3.828 20 5 GHBDMN COc1ccccc1CN(CCOc1cccc([N+](=O)[O-])c1)C[C@H]1CCCO1 ZINC000058934247 857779057 /nfs/dbraw/zinc/77/90/57/857779057.db2.gz CKLKZQSMJXPBRN-HXUWFJFHSA-N 0 1 386.448 3.663 20 5 GHBDMN CCC[C@@H](N[C@@H]1CCc2c1cccc2[N+](=O)[O-])C(=O)N1CCc2sccc2C1 ZINC000594495365 858192633 /nfs/dbraw/zinc/19/26/33/858192633.db2.gz RDRCYIRGPHYSRR-QZTJIDSGSA-N 0 1 399.516 3.987 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCc1cccc(CN2CCO[C@H](C)C2)c1 ZINC000595018569 858352021 /nfs/dbraw/zinc/35/20/21/858352021.db2.gz RYRGYEURHFFJPL-IAGOWNOFSA-N 0 1 399.491 3.675 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2nc(CNCC3(O)CCC(F)(F)CC3)cs2)c1 ZINC000594999262 858361632 /nfs/dbraw/zinc/36/16/32/858361632.db2.gz BOSJFWSCAUWOEP-UHFFFAOYSA-N 0 1 383.420 3.748 20 5 GHBDMN COc1cccc([C@]2(C)CCN(Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C2)c1 ZINC000595770473 858665548 /nfs/dbraw/zinc/66/55/48/858665548.db2.gz WAUNVGDYDBWZFG-OAQYLSRUSA-N 0 1 394.431 3.817 20 5 GHBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000595789329 858687806 /nfs/dbraw/zinc/68/78/06/858687806.db2.gz LYCWRSNFXPJBKU-QGPMSJSTSA-N 0 1 386.452 3.987 20 5 GHBDMN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cc(F)c(OC(C)C)c(F)c1 ZINC000543163590 858695513 /nfs/dbraw/zinc/69/55/13/858695513.db2.gz BBUNLLBTUCAIOB-UHFFFAOYSA-N 0 1 386.376 3.769 20 5 GHBDMN CC[C@@H](C)c1nc([C@@H](C)Nc2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)n[nH]1 ZINC000596204271 858830514 /nfs/dbraw/zinc/83/05/14/858830514.db2.gz BPBLZDCHOLZUMN-RKDXNWHRSA-N 0 1 381.820 3.840 20 5 GHBDMN CCN(Cc1c[nH]c2ccccc12)[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000190490745 858864529 /nfs/dbraw/zinc/86/45/29/858864529.db2.gz HZWFCKBJJINVMM-AWEZNQCLSA-N 0 1 396.447 3.934 20 5 GHBDMN O=[N+]([O-])c1ccc(O)cc1CS(=O)(=O)Cc1nc(C2CCCCC2)cs1 ZINC000593205473 858966052 /nfs/dbraw/zinc/96/60/52/858966052.db2.gz IHMLYGBQYBLKSC-UHFFFAOYSA-N 0 1 396.490 3.920 20 5 GHBDMN COc1ccc(C[C@@H](C)N2CCC([C@](C)(O)C(F)(F)F)CC2)c([N+](=O)[O-])c1 ZINC001170353447 881388810 /nfs/dbraw/zinc/38/88/10/881388810.db2.gz YJCHWMAQQHABIN-PXAZEXFGSA-N 0 1 390.402 3.560 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(Oc2ccncc2)c1 ZINC000483194299 859205781 /nfs/dbraw/zinc/20/57/81/859205781.db2.gz RPUGOIAXDCALOB-UHFFFAOYSA-N 0 1 385.401 3.891 20 5 GHBDMN COc1ccc(C[C@@H](C)N2CCC(Oc3cccc(C)n3)CC2)c([N+](=O)[O-])c1 ZINC001170355071 881394719 /nfs/dbraw/zinc/39/47/19/881394719.db2.gz VMYVTKBKDRDKJQ-MRXNPFEDSA-N 0 1 385.464 3.781 20 5 GHBDMN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1ccc(C(F)(F)F)nc1C ZINC000509380722 859237316 /nfs/dbraw/zinc/23/73/16/859237316.db2.gz YFAKRICSPYSIQL-UHFFFAOYSA-N 0 1 389.355 3.735 20 5 GHBDMN COc1ccc(C[C@H](C)N2C[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC001170355639 881399159 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393.447 3.599 20 5 GHBDMN Cc1cc(C[C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)n[nH]1 ZINC000161195645 859691040 /nfs/dbraw/zinc/69/10/40/859691040.db2.gz XJFXHOLJIQEBSD-CYBMUJFWSA-N 0 1 380.404 3.780 20 5 GHBDMN O=[N+]([O-])c1ccc(N2CCN(CCCc3ccncc3)CC2)c(C(F)(F)F)c1 ZINC000764953520 859695440 /nfs/dbraw/zinc/69/54/40/859695440.db2.gz MTLZBASKPQWYME-UHFFFAOYSA-N 0 1 394.397 3.763 20 5 GHBDMN O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000611488535 859782313 /nfs/dbraw/zinc/78/23/13/859782313.db2.gz SFQFPZRWUOIYPL-QGZVFWFLSA-N 0 1 397.479 3.709 20 5 GHBDMN CO[C@@H](c1ccccc1Cl)[C@H](C)NCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611521514 859792697 /nfs/dbraw/zinc/79/26/97/859792697.db2.gz NUQYBQNPSWCHSA-HXPMCKFVSA-N 0 1 392.839 3.885 20 5 GHBDMN CO[C@@H]1C[C@H](N[C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1(C)C ZINC001170384418 881499874 /nfs/dbraw/zinc/49/98/74/881499874.db2.gz BILPHKVXVDUYPJ-ZCNNSNEGSA-N 0 1 397.475 3.986 20 5 GHBDMN CCSc1cccc(F)c1NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000484925663 860502056 /nfs/dbraw/zinc/50/20/56/860502056.db2.gz OHLBDBUVQYFNIK-UHFFFAOYSA-N 0 1 398.437 3.502 20 5 GHBDMN CCN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H](COC)Cc1ccccc1 ZINC000552315070 860507945 /nfs/dbraw/zinc/50/79/45/860507945.db2.gz BTAYLBZTXUECSU-HXUWFJFHSA-N 0 1 386.448 3.541 20 5 GHBDMN COc1ccc(CNCc2cccnc2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000061003032 860526271 /nfs/dbraw/zinc/52/62/71/860526271.db2.gz BZUUQFXPMNGAFG-UHFFFAOYSA-N 0 1 379.416 3.867 20 5 GHBDMN O=C(NCCCCOc1ccc(Cl)cc1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000603483886 860745347 /nfs/dbraw/zinc/74/53/47/860745347.db2.gz FPHWGCPEPWQSRA-UHFFFAOYSA-N 0 1 388.811 3.714 20 5 GHBDMN COc1ccc(CCCN(C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000125898661 860814915 /nfs/dbraw/zinc/81/49/15/860814915.db2.gz ACDQZGSXBXBZCR-UHFFFAOYSA-N 0 1 382.420 3.718 20 5 GHBDMN Cc1ccc2nc([C@H]3CCCN3C(=O)CCNc3ccccc3[N+](=O)[O-])[nH]c2c1 ZINC000061230811 861060469 /nfs/dbraw/zinc/06/04/69/861060469.db2.gz KMBHAVOSRQSOLB-LJQANCHMSA-N 0 1 393.447 3.945 20 5 GHBDMN CCN1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C[C@@H]1c1ncc[nH]1 ZINC000475354099 864844939 /nfs/dbraw/zinc/84/49/39/864844939.db2.gz XETDQIGIIPNQIZ-GOSISDBHSA-N 0 1 397.504 3.925 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2ncn(CN3CC[C@@H](Cc4ccc(F)cc4)C3)n2)cc1 ZINC000736589412 865243441 /nfs/dbraw/zinc/24/34/41/865243441.db2.gz FVHJWOBJNDBGSU-INIZCTEOSA-N 0 1 381.411 3.515 20 5 GHBDMN CCC[C@@H](NCc1n[nH]c(COc2ccccc2)n1)c1cccc([N+](=O)[O-])c1 ZINC000186430743 865336837 /nfs/dbraw/zinc/33/68/37/865336837.db2.gz CDJGHUIQDPMRDV-GOSISDBHSA-N 0 1 381.436 3.923 20 5 GHBDMN C[C@@H](C(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000555312960 865887109 /nfs/dbraw/zinc/88/71/09/865887109.db2.gz XJQHFBFMFCEUIU-ACJLOTCBSA-N 0 1 375.856 3.771 20 5 GHBDMN CN(C)[C@H](CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000487536687 881947486 /nfs/dbraw/zinc/94/74/86/881947486.db2.gz JYDUDXBBLZJUEO-GOSISDBHSA-N 0 1 388.443 3.571 20 5 GHBDMN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000741156897 866271363 /nfs/dbraw/zinc/27/13/63/866271363.db2.gz KKAXSJPMJPGEPP-ZDUSSCGKSA-N 0 1 383.876 3.937 20 5 GHBDMN COc1ccc(S(=O)(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c(Cl)c1Cl ZINC000742024750 867013557 /nfs/dbraw/zinc/01/35/57/867013557.db2.gz AUCMLZPUHRTGRF-UHFFFAOYSA-N 0 1 395.195 3.850 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)Cc1cc(Cl)ccc1F ZINC000444707785 867096677 /nfs/dbraw/zinc/09/66/77/867096677.db2.gz PQEOQSSTALNBGP-UHFFFAOYSA-N 0 1 395.818 3.857 20 5 GHBDMN O=C(NC[C@@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1)OCc1ccccc1 ZINC000793296194 882075516 /nfs/dbraw/zinc/07/55/16/882075516.db2.gz DUFGPOMAGKAORK-IBGZPJMESA-N 0 1 383.448 3.733 20 5 GHBDMN COc1ccc([C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c2ccc(F)cc2)cc1 ZINC000475621533 867809035 /nfs/dbraw/zinc/80/90/35/867809035.db2.gz UPSVKLLXOYMJIS-HXUWFJFHSA-N 0 1 396.374 3.968 20 5 GHBDMN COc1ccc([C@H](C)N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c(C)c1OC ZINC000553960455 868500748 /nfs/dbraw/zinc/50/07/48/868500748.db2.gz AJBOYXZMEIUWIC-KBPBESRZSA-N 0 1 387.436 3.598 20 5 GHBDMN CNC(=O)c1ccc(N2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)c([N+](=O)[O-])c1 ZINC000442739760 868599717 /nfs/dbraw/zinc/59/97/17/868599717.db2.gz RDQFBXMLGHMVTN-INIZCTEOSA-N 0 1 399.838 3.826 20 5 GHBDMN COc1ccc(C2CCN(Cn3cnc(-c4cccc([N+](=O)[O-])c4)n3)CC2)cc1 ZINC000744437292 868839564 /nfs/dbraw/zinc/83/95/64/868839564.db2.gz OGKOUPYLAPYNEE-UHFFFAOYSA-N 0 1 393.447 3.699 20 5 GHBDMN CCOc1ccc([N+](=O)[O-])cc1CNCCOc1ccc(C(F)(F)F)cn1 ZINC000539514696 869263040 /nfs/dbraw/zinc/26/30/40/869263040.db2.gz XHEKWZZSXNMDAL-UHFFFAOYSA-N 0 1 385.342 3.576 20 5 GHBDMN CCCN(C(=O)c1n[nH]c(C)c1[N+](=O)[O-])[C@@H]1C[C@@H](OCC)C12CCCCC2 ZINC000525083453 869973894 /nfs/dbraw/zinc/97/38/94/869973894.db2.gz HUXNFGIRQKHYOO-HUUCEWRRSA-N 0 1 378.473 3.606 20 5 GHBDMN Cc1[nH]nc2cc(NC(=O)c3cc(OCC(F)(F)F)ccc3[N+](=O)[O-])ccc12 ZINC000539906099 869999691 /nfs/dbraw/zinc/99/96/91/869999691.db2.gz IEDFEDGIMCMKNO-UHFFFAOYSA-N 0 1 394.309 3.973 20 5 GHBDMN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2N[C@@H]2CCOc3c(F)ccc(F)c32)n1 ZINC000462950383 870512472 /nfs/dbraw/zinc/51/24/72/870512472.db2.gz QYAJWIFLCMNGQK-RBSFLKMASA-N 0 1 378.379 3.667 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000540142990 870592256 /nfs/dbraw/zinc/59/22/56/870592256.db2.gz BCSFSUFGNSAXES-GCKAQTDUSA-N 0 1 389.402 3.804 20 5 GHBDMN CCOc1ccccc1[C@H](CC)N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000540351752 871045232 /nfs/dbraw/zinc/04/52/32/871045232.db2.gz MOPAXWPSNCEKRR-OALUTQOASA-N 0 1 383.448 3.840 20 5 GHBDMN COCCOCc1ccc(CNc2cc(C)nc3ccc([N+](=O)[O-])cc32)cc1 ZINC000461865546 871115827 /nfs/dbraw/zinc/11/58/27/871115827.db2.gz IMSQVLIVOPEBLR-UHFFFAOYSA-N 0 1 381.432 3.648 20 5 GHBDMN O=[N+]([O-])C[C@@H]1CC[C@H](N2CCN(c3ccc(F)c(Cl)c3Cl)CC2)C1 ZINC001169057736 871144379 /nfs/dbraw/zinc/14/43/79/871144379.db2.gz XOQWSAOTEIWAHB-NEPJUHHUSA-N 0 1 376.259 3.700 20 5 GHBDMN Cc1cc(N2CCCC2)ccc1NC(=O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000540379460 871175838 /nfs/dbraw/zinc/17/58/38/871175838.db2.gz JWLNFWKADYCYTP-INIZCTEOSA-N 0 1 382.464 3.793 20 5 GHBDMN COc1ccc(OCCN(C)Cc2cc(Cl)ccc2OC)c([N+](=O)[O-])c1 ZINC000441230113 871237497 /nfs/dbraw/zinc/23/74/97/871237497.db2.gz JJGDLXCIFVSQNJ-UHFFFAOYSA-N 0 1 380.828 3.776 20 5 GHBDMN CC(C)[C@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1F ZINC000181646808 871332973 /nfs/dbraw/zinc/33/29/73/871332973.db2.gz HHAKDCLZBXWOJV-IBGZPJMESA-N 0 1 377.391 3.823 20 5 GHBDMN O=[N+]([O-])c1cnc(C(F)(F)F)cc1NCc1nc(-c2ccc(F)cc2)n[nH]1 ZINC000618152475 871362548 /nfs/dbraw/zinc/36/25/48/871362548.db2.gz FFYMOPYCEOHMRO-UHFFFAOYSA-N 0 1 382.277 3.545 20 5 GHBDMN O=[N+]([O-])c1cnc(C(F)(F)F)cc1NCc1n[nH]c(-c2ccc(F)cc2)n1 ZINC000618152475 871362566 /nfs/dbraw/zinc/36/25/66/871362566.db2.gz FFYMOPYCEOHMRO-UHFFFAOYSA-N 0 1 382.277 3.545 20 5 GHBDMN CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2C[C@@H](C)N(C)[C@@H](C)C2)cc1OC ZINC001194747169 871906175 /nfs/dbraw/zinc/90/61/75/871906175.db2.gz ZOTUECHXQTWHGR-OAGGEKHMSA-N 0 1 379.501 3.553 20 5 GHBDMN O=C1C[C@H](N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CN1c1c(F)cccc1F ZINC000447576155 871920475 /nfs/dbraw/zinc/92/04/75/871920475.db2.gz WMQRBWPBSQHSPU-SCLBCKFNSA-N 0 1 387.386 3.646 20 5 GHBDMN CCOc1ccc(C2=CCN(C[C@H](O)COc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000182332138 872209236 /nfs/dbraw/zinc/20/92/36/872209236.db2.gz KWYOINGMNXGVHR-IBGZPJMESA-N 0 1 398.459 3.523 20 5 GHBDMN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1nnc(Cc2ccccc2)s1 ZINC000619270114 872497671 /nfs/dbraw/zinc/49/76/71/872497671.db2.gz WAKXTTLGGZIMIK-UHFFFAOYSA-N 0 1 384.417 3.688 20 5 GHBDMN CC(=O)c1cc(F)c(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)c(F)c1F ZINC000763538709 872507997 /nfs/dbraw/zinc/50/79/97/872507997.db2.gz MMSCTMMMJMOLJV-UHFFFAOYSA-N 0 1 397.265 3.684 20 5 GHBDMN CN(C)c1cccc([C@@H]2CCCN2[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000448035782 872724915 /nfs/dbraw/zinc/72/49/15/872724915.db2.gz SIHZTXQAXLJZBT-LEWJYISDSA-N 0 1 394.475 3.603 20 5 GHBDMN O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)Nc2cccc(Cl)c2)c1 ZINC000742232142 872846588 /nfs/dbraw/zinc/84/65/88/872846588.db2.gz GYVFZPSMONNMPU-UHFFFAOYSA-N 0 1 391.630 3.812 20 5 GHBDMN Cc1ccc2nc(CNC(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])[nH]c2c1 ZINC000182963434 873060983 /nfs/dbraw/zinc/06/09/83/873060983.db2.gz QGBHJOIWANXAPU-UHFFFAOYSA-N 0 1 390.852 3.841 20 5 GHBDMN COC[C@@H](NCc1cc(O)ccc1[N+](=O)[O-])c1cccc(Br)c1 ZINC001197146023 873623112 /nfs/dbraw/zinc/62/31/12/873623112.db2.gz PLJOTYYWPYKYQB-OAHLLOKOSA-N 0 1 381.226 3.540 20 5 GHBDMN CCc1ccc([C@@H](NC[C@H](CO)Cc2ccco2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541544942 873806678 /nfs/dbraw/zinc/80/66/78/873806678.db2.gz ATIZYSFZXKTKSY-VFNWGFHPSA-N 0 1 384.432 3.873 20 5 GHBDMN Cc1ccc(CN2CCCN(Cc3ccc(C)c([N+](=O)[O-])c3)CC2)cc1[N+](=O)[O-] ZINC000770395893 874646500 /nfs/dbraw/zinc/64/65/00/874646500.db2.gz WZQKMZFARWEDLQ-UHFFFAOYSA-N 0 1 398.463 3.828 20 5 GHBDMN CCOc1c(OC)cc(CNc2cc(C)nc3ccc([N+](=O)[O-])cc32)cc1OC ZINC000542103248 874963348 /nfs/dbraw/zinc/96/33/48/874963348.db2.gz HUMAUYCLBUBEEX-UHFFFAOYSA-N 0 1 397.431 3.901 20 5 GHBDMN CN(C)Cc1ccc(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc1F ZINC000771007445 874993980 /nfs/dbraw/zinc/99/39/80/874993980.db2.gz YQOQSQFRCRHHCB-UHFFFAOYSA-N 0 1 396.216 3.810 20 5 GHBDMN CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000463027943 875046549 /nfs/dbraw/zinc/04/65/49/875046549.db2.gz ICTQLBACRRMMJL-QFIPXVFZSA-N 0 1 384.476 3.811 20 5 GHBDMN O=C(NC[C@H](c1ccco1)N1CCCC1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000858151819 882890146 /nfs/dbraw/zinc/89/01/46/882890146.db2.gz SENPDTGBBMNHLM-LJQANCHMSA-N 0 1 379.416 3.908 20 5 GHBDMN CCO[C@@H]1C[C@@H](NCc2cc(Cl)ccc2[N+](=O)[O-])[C@@H]1Oc1ccccc1 ZINC000776010122 875122321 /nfs/dbraw/zinc/12/23/21/875122321.db2.gz ZOXZKLYLOWCIDZ-QRQLOZEOSA-N 0 1 376.840 3.963 20 5 GHBDMN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC=C(c2ccc(Cl)cc2)CC1 ZINC000542206104 875144723 /nfs/dbraw/zinc/14/47/23/875144723.db2.gz ORZHDFPVBXTEPC-SFHVURJKSA-N 0 1 388.851 3.777 20 5 GHBDMN COc1cc(CNCc2ccc(C)c([N+](=O)[O-])c2)cc(Br)c1OC ZINC000105481094 875310041 /nfs/dbraw/zinc/31/00/41/875310041.db2.gz IAQGXWYOUKVKGS-UHFFFAOYSA-N 0 1 395.253 3.973 20 5 GHBDMN C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000776198185 875778557 /nfs/dbraw/zinc/77/85/57/875778557.db2.gz URZTVOOCLMYJOR-OAHLLOKOSA-N 0 1 399.447 3.806 20 5 GHBDMN Cc1cc(C)c(S(=O)(=O)Nc2ccccc2OCC(F)F)cc1[N+](=O)[O-] ZINC000491579063 875804822 /nfs/dbraw/zinc/80/48/22/875804822.db2.gz MQPRIRWKEVBNIT-UHFFFAOYSA-N 0 1 386.376 3.656 20 5 GHBDMN O=C(Nc1nc2ccc(F)cc2[nH]1)c1cc([N+](=O)[O-])ccc1Br ZINC000785876419 876285798 /nfs/dbraw/zinc/28/57/98/876285798.db2.gz OEZAORIBTQTRPM-UHFFFAOYSA-N 0 1 379.145 3.625 20 5 GHBDMN Cn1nc(C2CCCC2)cc1NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000450764082 876858119 /nfs/dbraw/zinc/85/81/19/876858119.db2.gz HYHTWVSUNFFDHI-UHFFFAOYSA-N 0 1 380.408 3.628 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000850427841 876911459 /nfs/dbraw/zinc/91/14/59/876911459.db2.gz DVHRRHVKJFUGBT-ZIAGYGMSSA-N 0 1 385.420 3.972 20 5 GHBDMN O=C(N1CC[C@H](NCc2ccccc2[N+](=O)[O-])c2ccccc2C1)C(F)(F)F ZINC000850442882 876925885 /nfs/dbraw/zinc/92/58/85/876925885.db2.gz PCILGLXIJSUGJC-INIZCTEOSA-N 0 1 393.365 3.720 20 5 GHBDMN Cc1cc(CNCc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000610010012 877283821 /nfs/dbraw/zinc/28/38/21/877283821.db2.gz PBZPBMRGSVNZBQ-UHFFFAOYSA-N 0 1 388.431 3.769 20 5 GHBDMN Cc1c(Cl)cc(S(=O)(=O)Nc2cc(F)c(F)c(F)c2)cc1[N+](=O)[O-] ZINC000610156646 877457467 /nfs/dbraw/zinc/45/74/67/877457467.db2.gz YXMVKLSGDPHLII-UHFFFAOYSA-N 0 1 380.731 3.775 20 5 GHBDMN O=[N+]([O-])c1cc(S(=O)(=O)Nc2cnoc2-c2ccccc2)ccc1Cl ZINC000179524799 877678466 /nfs/dbraw/zinc/67/84/66/877678466.db2.gz BVWKHHSWFWGUIJ-UHFFFAOYSA-N 0 1 379.781 3.704 20 5 GHBDMN O=C([O-])/C=C\c1ccc(OCC[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000851708735 877873794 /nfs/dbraw/zinc/87/37/94/877873794.db2.gz LWWONFUPKONTGM-ZCTDBXRUSA-N 0 1 396.443 3.951 20 5 GHBDMN CC1(C)C[C@@H](NCCS(=O)(=O)Cc2ccccc2)c2cc([N+](=O)[O-])ccc21 ZINC000788580521 878182680 /nfs/dbraw/zinc/18/26/80/878182680.db2.gz MSWRSRXGYMSWAM-LJQANCHMSA-N 0 1 388.489 3.522 20 5 GHBDMN Cc1ccc([C@@H](C)N[C@H]2CC(=O)N(c3c(F)cccc3F)C2)cc1[N+](=O)[O-] ZINC000537767516 878264948 /nfs/dbraw/zinc/26/49/48/878264948.db2.gz NQNJYNSBKCOUDX-OCCSQVGLSA-N 0 1 375.375 3.638 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(Br)c(F)c1 ZINC000460817716 878613906 /nfs/dbraw/zinc/61/39/06/878613906.db2.gz CHUGFJXAPWRXJI-UHFFFAOYSA-N 0 1 389.202 3.606 20 5 GHBDMN Cc1c([C@@H](C)NCCOc2ccc([N+](=O)[O-])cc2)nnn1-c1ccc(C)cc1 ZINC000537967187 878639518 /nfs/dbraw/zinc/63/95/18/878639518.db2.gz XMMLEWQVXTVEAP-OAHLLOKOSA-N 0 1 381.436 3.522 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1CN1CCC(COc2ccc(Cl)nc2)CC1 ZINC000789313884 878833414 /nfs/dbraw/zinc/83/34/14/878833414.db2.gz QZPLISOJXJGVHT-UHFFFAOYSA-N 0 1 391.855 3.943 20 5 GHBDMN C[C@H](C(=O)O[C@H](CN(C)C)c1cc(F)c(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000853212134 878894530 /nfs/dbraw/zinc/89/45/30/878894530.db2.gz AAQPFYFHODAYPN-APPDUMDISA-N 0 1 396.365 3.962 20 5 GHBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000538153589 878923349 /nfs/dbraw/zinc/92/33/49/878923349.db2.gz XCMRYZQIIVRJHM-CQSZACIVSA-N 0 1 396.447 3.541 20 5 GHBDMN CC(C)Cn1ncc(NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)c1C1CC1 ZINC000452127326 878978465 /nfs/dbraw/zinc/97/84/65/878978465.db2.gz ZVSCNAQHTFJIMO-UHFFFAOYSA-N 0 1 394.435 3.967 20 5 GHBDMN COc1ccc(-c2ccc(CN[C@H](CO)c3ccccc3C)o2)c([N+](=O)[O-])c1 ZINC000531096427 879108232 /nfs/dbraw/zinc/10/82/32/879108232.db2.gz MATRXSDGKCGGPX-LJQANCHMSA-N 0 1 382.416 3.995 20 5 GHBDMN C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761516108 879218901 /nfs/dbraw/zinc/21/89/01/879218901.db2.gz YYLOJNVXQPVIGI-OCCSQVGLSA-N 0 1 383.876 3.983 20 5 GHBDMN O=C1[C@@H](NCc2ccc([N+](=O)[O-])c(Cl)c2)CCN1c1ccc(F)c(Cl)c1 ZINC000761525073 879245991 /nfs/dbraw/zinc/24/59/91/879245991.db2.gz BPMBGPGFPWEWIL-HNNXBMFYSA-N 0 1 398.221 3.936 20 5 GHBDMN C[C@H](c1ccccc1)N1CC[C@](F)(COC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000789775702 879268063 /nfs/dbraw/zinc/26/80/63/879268063.db2.gz ZGNODLHMDPYDPG-IIBYNOLFSA-N 0 1 386.423 3.856 20 5 GHBDMN COc1ccc(-c2n[nH]c(SCc3ccc([N+](=O)[O-])c(F)c3)n2)c(OC)c1 ZINC000789914658 879329154 /nfs/dbraw/zinc/32/91/54/879329154.db2.gz CSBOAIMTPWRLTB-UHFFFAOYSA-N 0 1 390.396 3.829 20 5 GHBDMN Cc1cccc(C(NS(=O)(=O)c2cccnc2[N+](=O)[O-])c2cccc(C)c2)c1 ZINC000531213240 879353664 /nfs/dbraw/zinc/35/36/64/879353664.db2.gz ROXPSLAGFZTHTD-UHFFFAOYSA-N 0 1 397.456 3.675 20 5 GHBDMN CN(C)[C@@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000531306494 879568137 /nfs/dbraw/zinc/56/81/37/879568137.db2.gz OEOANTHVEBLBSH-KRWDZBQOSA-N 0 1 393.896 3.759 20 5 GHBDMN C[C@H](OC(=O)COc1cccc([N+](=O)[O-])c1)c1nc2ccc(Cl)cc2[nH]1 ZINC000111990763 879604543 /nfs/dbraw/zinc/60/45/43/879604543.db2.gz INCPHMNMWXWSNF-JTQLQIEISA-N 0 1 375.768 3.808 20 5 GHBDMN CN(C)[C@@H]1CCOc2c(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cccc21 ZINC000791044829 880170438 /nfs/dbraw/zinc/17/04/38/880170438.db2.gz PVYKLVFJZNYHIA-OAHLLOKOSA-N 0 1 375.812 3.886 20 5 GHBDMN Cc1cc(Br)ccc1NC(=O)CCNCc1ccccc1[N+](=O)[O-] ZINC000237563533 880306981 /nfs/dbraw/zinc/30/69/81/880306981.db2.gz AWLVWMILSPGNMB-UHFFFAOYSA-N 0 1 392.253 3.784 20 5 GHBDMN CCCCc1nc(C(=O)OCC)c(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)[nH]1 ZINC000792554208 881185760 /nfs/dbraw/zinc/18/57/60/881185760.db2.gz YXNNWVIEQCAYKO-UHFFFAOYSA-N 0 1 394.815 3.743 20 5 GHBDMN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1nc2ccc(Cl)cc2[nH]1 ZINC000609489605 883253552 /nfs/dbraw/zinc/25/35/52/883253552.db2.gz XLGMSFVLTMUHCG-SNVBAGLBSA-N 0 1 390.852 3.922 20 5 GHBDMN C[C@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc21)N1CCC(Cc2ccccc2)CC1 ZINC000609515199 883282327 /nfs/dbraw/zinc/28/23/27/883282327.db2.gz MWPFJFGOTRONEX-QGZVFWFLSA-N 0 1 393.487 3.827 20 5 GHBDMN COc1ccc(CN[C@](C)(CO)c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000609711040 883569962 /nfs/dbraw/zinc/56/99/62/883569962.db2.gz WUNBICDTWQOYQB-QGZVFWFLSA-N 0 1 384.354 3.620 20 5 GHBDMN C[C@@H]1[C@H](C)N(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)[C@@H](C)CN1C ZINC001130368819 884096620 /nfs/dbraw/zinc/09/66/20/884096620.db2.gz AVHCUBVGXNYIOA-XHSDSOJGSA-N 0 1 382.464 3.892 20 5 GHBDMN C[C@@]1(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CCN(Cc2ccccc2)C1 ZINC001130393275 884104926 /nfs/dbraw/zinc/10/49/26/884104926.db2.gz JATSWWILXCSHBW-OAQYLSRUSA-N 0 1 379.416 3.735 20 5 GHBDMN O=c1ccc([C@@H]2OCC[C@H]2NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])c[nH]1 ZINC000859882142 884145172 /nfs/dbraw/zinc/14/51/72/884145172.db2.gz YAQSCXWJFTUGTE-CJNGLKHVSA-N 0 1 384.219 3.622 20 5 GHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCc2ccc(Cl)c(Cl)c2C1 ZINC001130870737 885284920 /nfs/dbraw/zinc/28/49/20/885284920.db2.gz QRDXLPLFKJQBKU-UHFFFAOYSA-N 0 1 391.214 3.976 20 5 GHBDMN CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000863469818 887134102 /nfs/dbraw/zinc/13/41/02/887134102.db2.gz KYBLDIHYEDTKBI-UHFFFAOYSA-N 0 1 387.392 3.924 20 5 GHBDMN CCOc1ccc([C@H](C)NCC(=O)Nc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000153297464 887497781 /nfs/dbraw/zinc/49/77/81/887497781.db2.gz QACRKHIABMVLKQ-LBPRGKRZSA-N 0 1 377.828 3.936 20 5 GHBDMN CC(C)(CO)[C@H](NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cccs1 ZINC000809569271 887549297 /nfs/dbraw/zinc/54/92/97/887549297.db2.gz WAQNUIKROIJKCY-MRXNPFEDSA-N 0 1 397.884 3.598 20 5 GHBDMN Cc1cnc([C@H](NCCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C2CC2)s1 ZINC000130418959 887884640 /nfs/dbraw/zinc/88/46/40/887884640.db2.gz ZSVCRRQQRBKCGK-MRXNPFEDSA-N 0 1 378.429 3.568 20 5 GHBDMN CCO[C@@H]1C[C@@](CO)(NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1(C)C ZINC000809985454 888041347 /nfs/dbraw/zinc/04/13/47/888041347.db2.gz LEAQHNHFLTWECJ-CJNGLKHVSA-N 0 1 377.268 3.557 20 5 GHBDMN CN1CC[C@@H](NCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H]1c1ccc(Cl)cc1 ZINC000810059858 888107770 /nfs/dbraw/zinc/10/77/70/888107770.db2.gz CPGJQHJZUOFIMG-SJLPKXTDSA-N 0 1 390.827 3.691 20 5 GHBDMN O=C(Nc1cc(Cl)ccc1N1CCSCC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000475924738 888501883 /nfs/dbraw/zinc/50/18/83/888501883.db2.gz FGPHKXPXASFPEF-UHFFFAOYSA-N 0 1 393.852 3.759 20 5 GHBDMN CCN1CCN(c2cc(N(C)C(=O)CCCC(C)(C)C)cc([N+](=O)[O-])c2)CC1 ZINC001132279708 888530846 /nfs/dbraw/zinc/53/08/46/888530846.db2.gz PDAQNKXVSYPTAA-UHFFFAOYSA-N 0 1 390.528 3.916 20 5 GHBDMN Cc1ccc([C@@H](C)NC(=O)c2ccc(CN3CCSCC3)cc2)cc1[N+](=O)[O-] ZINC000488066950 888591061 /nfs/dbraw/zinc/59/10/61/888591061.db2.gz IDDVJZQIHXSOEG-MRXNPFEDSA-N 0 1 399.516 3.943 20 5 GHBDMN COc1ccc(NC(=O)CN(C)[C@@H](C)Cc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000533438727 890517899 /nfs/dbraw/zinc/51/78/99/890517899.db2.gz NFJIWBXVIHRJNF-ZDUSSCGKSA-N 0 1 391.855 3.758 20 5 GHBDMN CCOc1ccc([C@@H](O)C2CC[NH+](Cc3cc([O-])ccc3[N+](=O)[O-])CC2)cc1 ZINC000812777432 890954865 /nfs/dbraw/zinc/95/48/65/890954865.db2.gz KSXTXWCYRRRGPU-OAQYLSRUSA-N 0 1 386.448 3.645 20 5 GHBDMN Cc1ccc(CN2CCC23CCN(C(=O)OC(C)(C)C)CC3)cc1[N+](=O)[O-] ZINC000812770747 890969092 /nfs/dbraw/zinc/96/90/92/890969092.db2.gz RDEQAGKZABLYIA-UHFFFAOYSA-N 0 1 375.469 3.879 20 5 GHBDMN C[C@@H](CN[C@@H](C)c1c(F)cccc1[N+](=O)[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000872091436 891150565 /nfs/dbraw/zinc/15/05/65/891150565.db2.gz HNUGFMQOTIMBIM-STQMWFEESA-N 0 1 380.441 3.592 20 5 GHBDMN CN1C[C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[C@@H](c2ccccc2)C1 ZINC000497414250 891532047 /nfs/dbraw/zinc/53/20/47/891532047.db2.gz DBTJEONQURLOFN-IAGOWNOFSA-N 0 1 381.457 3.637 20 5 GHBDMN Cc1ccc([C@@H](CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)N2CCCC2)o1 ZINC000825684137 891721183 /nfs/dbraw/zinc/72/11/83/891721183.db2.gz XSIPMQRTWWHCQM-MRXNPFEDSA-N 0 1 377.828 3.717 20 5 GHBDMN Cc1n[nH]c(C(F)F)c1NC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000497895114 892643691 /nfs/dbraw/zinc/64/36/91/892643691.db2.gz AQGBBORRYQAECU-UHFFFAOYSA-N 0 1 379.348 3.940 20 5 GHBDMN CCCC[N@@H+](C)CC1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000563179478 893443404 /nfs/dbraw/zinc/44/34/04/893443404.db2.gz FWIYJPWHRWYRPO-UHFFFAOYSA-N 0 1 383.876 3.538 20 5 GHBDMN COc1ccc(-c2n[nH]c(CNc3cc(OC)c([N+](=O)[O-])cc3Cl)n2)cc1 ZINC001185300358 913789644 /nfs/dbraw/zinc/78/96/44/913789644.db2.gz XLRPHFHLYXXRKO-UHFFFAOYSA-N 0 1 389.799 3.663 20 5 GHBDMN COc1ccc(-c2nc(CNc3cc(OC)c([N+](=O)[O-])cc3Cl)n[nH]2)cc1 ZINC001185300358 913789648 /nfs/dbraw/zinc/78/96/48/913789648.db2.gz XLRPHFHLYXXRKO-UHFFFAOYSA-N 0 1 389.799 3.663 20 5 GHBDMN CNC(=O)CC1CCN(Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000129594062 893697017 /nfs/dbraw/zinc/69/70/17/893697017.db2.gz CTZLLTMABXTFAR-UHFFFAOYSA-N 0 1 396.491 3.711 20 5 GHBDMN COc1ccccc1C[C@H](C)N(C)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878137355 894045095 /nfs/dbraw/zinc/04/50/95/894045095.db2.gz SWHWRGQWAUHRSD-AWEZNQCLSA-N 0 1 382.420 3.716 20 5 GHBDMN C[C@@H](C(=O)Nc1cccc(CN2CCSCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000563930321 894341017 /nfs/dbraw/zinc/34/10/17/894341017.db2.gz XUPYKIDIPRZGRH-OAHLLOKOSA-N 0 1 385.489 3.886 20 5 GHBDMN COc1ccc(C[C@@H]2CCCN(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)cc1 ZINC000774883964 913887143 /nfs/dbraw/zinc/88/71/43/913887143.db2.gz FVZYNXUVIPRDEB-INIZCTEOSA-N 0 1 385.420 3.966 20 5 GHBDMN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000565777408 895869254 /nfs/dbraw/zinc/86/92/54/895869254.db2.gz QHUPBNBRSPQXCE-YJBOKZPZSA-N 0 1 383.448 3.544 20 5 GHBDMN O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000819641093 896881731 /nfs/dbraw/zinc/88/17/31/896881731.db2.gz ZDGFTHZGRFMDLJ-QFBILLFUSA-N 0 1 385.851 3.595 20 5 GHBDMN COC(=O)/C=C\c1ccc(N[C@@H]2CCN(C)[C@@H]2c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC001185818882 914127832 /nfs/dbraw/zinc/12/78/32/914127832.db2.gz FFJOAICZYFGVKO-FUDJQYAWSA-N 0 1 399.422 3.777 20 5 GHBDMN CC1(C)C[C@@H](NCc2ccnc(-c3ccccn3)n2)c2cc([N+](=O)[O-])ccc21 ZINC000883293671 897462712 /nfs/dbraw/zinc/46/27/12/897462712.db2.gz BNBKWVDJNLMIQC-LJQANCHMSA-N 0 1 375.432 3.959 20 5 GHBDMN O=[N+]([O-])c1c(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)nc2sccn21 ZINC000042678045 897721185 /nfs/dbraw/zinc/72/11/85/897721185.db2.gz KWKOUXIJXBCGIG-UHFFFAOYSA-N 0 1 378.826 3.894 20 5 GHBDMN CCCN1CCN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC001136606350 898507213 /nfs/dbraw/zinc/50/72/13/898507213.db2.gz YQOKLILEQGICPW-UHFFFAOYSA-N 0 1 385.489 3.914 20 5 GHBDMN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3nc(C4CCC4)n[nH]3)cc2[N+](=O)[O-])C1 ZINC000570012127 899071351 /nfs/dbraw/zinc/07/13/51/899071351.db2.gz FNEKHQSRTMEOBE-CHWSQXEVSA-N 0 1 398.467 3.715 20 5 GHBDMN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3n[nH]c(C4CCC4)n3)cc2[N+](=O)[O-])C1 ZINC000570012127 899071367 /nfs/dbraw/zinc/07/13/67/899071367.db2.gz FNEKHQSRTMEOBE-CHWSQXEVSA-N 0 1 398.467 3.715 20 5 GHBDMN CN(Cc1ccc(Br)cc1[N+](=O)[O-])C[C@](C)(O)c1ccccc1 ZINC000823605423 899129184 /nfs/dbraw/zinc/12/91/84/899129184.db2.gz KJVYIWGTJYEJFS-KRWDZBQOSA-N 0 1 379.254 3.697 20 5 GHBDMN CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](C)N1CCc2ccccc2C1 ZINC000570132498 899145662 /nfs/dbraw/zinc/14/56/62/899145662.db2.gz XEQJJXSGOHXOKZ-HNNXBMFYSA-N 0 1 382.464 3.726 20 5 GHBDMN C[C@@H]1C[C@@H](Nc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000844212448 900607221 /nfs/dbraw/zinc/60/72/21/900607221.db2.gz XNNUSWIMZCRLFX-QVFMIUSGSA-N 0 1 381.432 3.768 20 5 GHBDMN COc1cc(CN2CCC(CCNC(=O)OC(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000844443909 900867521 /nfs/dbraw/zinc/86/75/21/900867521.db2.gz QJGKBECSXMCXMO-UHFFFAOYSA-N 0 1 393.484 3.730 20 5 GHBDMN COCCCN[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000067472290 901056585 /nfs/dbraw/zinc/05/65/85/901056585.db2.gz JEPLOKIQGGLWCT-KRWDZBQOSA-N 0 1 377.828 3.554 20 5 GHBDMN CN1CCN(Cn2c3cc([N+](=O)[O-])ccc3oc2=S)[C@H](Cc2ccccc2)C1 ZINC000844742053 901220681 /nfs/dbraw/zinc/22/06/81/901220681.db2.gz NAWUGWPOEIRQDB-QGZVFWFLSA-N 0 1 398.488 3.688 20 5 GHBDMN Cc1cc(N2CCC[C@@H](N3CCOCC3)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000576886346 902333990 /nfs/dbraw/zinc/33/39/90/902333990.db2.gz JKGHUXRNJGEQBP-CQSZACIVSA-N 0 1 387.402 3.613 20 5 GHBDMN CC(C)(C)N1CC[C@@H]1COC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000845733423 902354076 /nfs/dbraw/zinc/35/40/76/902354076.db2.gz APTQMCJRUUFPGK-CQSZACIVSA-N 0 1 375.450 3.748 20 5 GHBDMN C[C@H]1CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)[C@H](c2ccccc2)CO1 ZINC001148070250 903960595 /nfs/dbraw/zinc/96/05/95/903960595.db2.gz WOMSGYQIWKEOCU-XOBRGWDASA-N 0 1 392.415 3.587 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCc2ccccc2C(C)(C)C1 ZINC001171906320 905136971 /nfs/dbraw/zinc/13/69/71/905136971.db2.gz JVHGOZRLPISDOE-HNNXBMFYSA-N 0 1 397.475 3.766 20 5 GHBDMN C[C@@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)c1cccc(N2CCCC2)c1 ZINC000176534924 905868135 /nfs/dbraw/zinc/86/81/35/905868135.db2.gz QRQBHAQNZHCXFO-OAHLLOKOSA-N 0 1 383.448 3.912 20 5 GHBDMN Cc1ccccc1C(=O)N1CCN([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172919564 905990295 /nfs/dbraw/zinc/99/02/95/905990295.db2.gz GPBPJOCIDCKDIO-HXUWFJFHSA-N 0 1 393.487 3.609 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C[C@H](C)NCC(=O)c2ccc(Cl)cc2)c1F ZINC001173177567 906254487 /nfs/dbraw/zinc/25/44/87/906254487.db2.gz VIQIRZWKGXBADF-NSHDSACASA-N 0 1 380.803 3.799 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C[C@H](C)N(C)CCC(=O)c2cccs2)c1F ZINC001173193473 906277510 /nfs/dbraw/zinc/27/75/10/906277510.db2.gz SKGSNYZXATVSJE-LBPRGKRZSA-N 0 1 380.441 3.940 20 5 GHBDMN O=[N+]([O-])c1ccc(CN2CCC(O)(c3cccc(OC(F)(F)F)c3)CC2)cc1 ZINC000779474238 907257555 /nfs/dbraw/zinc/25/75/55/907257555.db2.gz AHSLMQQWTNAYHW-UHFFFAOYSA-N 0 1 396.365 3.977 20 5 GHBDMN CN(C)[C@@H](CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccsc1 ZINC000266277581 909061339 /nfs/dbraw/zinc/06/13/39/909061339.db2.gz TXPOXMPABTWPMV-AWEZNQCLSA-N 0 1 387.383 3.708 20 5 GHBDMN O=[N+]([O-])c1ccc(NC2CCN(Cc3ccccn3)CC2)cc1OC(F)F ZINC000266357275 909092965 /nfs/dbraw/zinc/09/29/65/909092965.db2.gz KFAMONRNRHXDIN-UHFFFAOYSA-N 0 1 378.379 3.668 20 5 GHBDMN COc1cc(CN[C@@H]2C[C@@H](C)O[C@H]2C)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC001179347722 909476054 /nfs/dbraw/zinc/47/60/54/909476054.db2.gz BTZMUFFRDMDLHM-RVKKMQEKSA-N 0 1 386.448 3.838 20 5 GHBDMN CCOc1cc(N2CCN(Cc3cccc4c3NCCC4)CC2)ccc1[N+](=O)[O-] ZINC001181391118 910755802 /nfs/dbraw/zinc/75/58/02/910755802.db2.gz UDTWRCNHPJEHCN-UHFFFAOYSA-N 0 1 396.491 3.674 20 5 GHBDMN O=[N+]([O-])c1nc[nH]c1-c1nc(-c2cc(F)c(Cl)c(Br)c2)no1 ZINC001212893167 911371305 /nfs/dbraw/zinc/37/13/05/911371305.db2.gz PFHMHSDCJRFGST-UHFFFAOYSA-N 0 1 388.540 3.590 20 5 GHBDMN COC(=O)c1nc(CNC/C(C)=C\c2cccc([N+](=O)[O-])c2)ccc1Cl ZINC001182817748 912064458 /nfs/dbraw/zinc/06/44/58/912064458.db2.gz WCUSTQNWZMIJRE-WQLSENKSSA-N 0 1 375.812 3.623 20 5 GHBDMN CC[C@H](N[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1ccccc1OC ZINC000775080339 914988218 /nfs/dbraw/zinc/98/82/18/914988218.db2.gz LRMSTLHHPCXQEG-BBRMVZONSA-N 0 1 387.436 3.680 20 5 GHBDMN Cc1ccc(C[C@@H](C)NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)s1 ZINC001187109881 915014964 /nfs/dbraw/zinc/01/49/64/915014964.db2.gz FJMZZKZODXZXHJ-MRVPVSSYSA-N 0 1 392.861 3.667 20 5 GHBDMN Cc1cc(N2CC[C@@]3(C2)CN(Cc2ccccc2)C[C@@H](C)O3)c(F)cc1[N+](=O)[O-] ZINC001187429933 915286429 /nfs/dbraw/zinc/28/64/29/915286429.db2.gz GLJKYLKWYMJWOG-VGSWGCGISA-N 0 1 399.466 3.912 20 5 GHBDMN O=[N+]([O-])c1c(Br)cccc1NC[C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC001187614770 915383879 /nfs/dbraw/zinc/38/38/79/915383879.db2.gz BIACHQKAFJECGJ-BBRMVZONSA-N 0 1 398.301 3.660 20 5 GHBDMN C[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1OCCc2sccc21 ZINC000292533478 915729070 /nfs/dbraw/zinc/72/90/70/915729070.db2.gz XELSYEGIFZSXOT-DYZYQPBXSA-N 0 1 395.868 3.540 20 5 GHBDMN Cc1cc2cc3ccc(N(C)C)cc3nc2cc1NS(=O)(=O)CCCF ZINC001189920167 916988628 /nfs/dbraw/zinc/98/86/28/916988628.db2.gz VCJKPRCIRSAQGL-UHFFFAOYSA-N 0 1 375.469 3.864 20 5 GHBDMN CC(C)N1CC[C@@H](NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1=O ZINC000114776137 919416534 /nfs/dbraw/zinc/41/65/34/919416534.db2.gz JROQBCAYWDFVBE-QGZVFWFLSA-N 0 1 387.411 3.625 20 5 GHBDMN O=C(Cc1ccccc1)N1CCC[C@@H](NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000800899855 920580330 /nfs/dbraw/zinc/58/03/30/920580330.db2.gz ZONFHCXKSPZAKU-QGZVFWFLSA-N 0 1 387.867 3.572 20 5 GHBDMN CC(C)(C)OC(=O)N1CC[C@@H](N(Cc2ccc([N+](=O)[O-])c(F)c2)C2CC2)C1 ZINC000801523688 921096019 /nfs/dbraw/zinc/09/60/19/921096019.db2.gz FMZCVLOIIJIBOA-OAHLLOKOSA-N 0 1 379.432 3.708 20 5 GHBDMN COc1cc([C@H](C)N[C@@H](Cc2nccn2C)c2ccccc2)cc([N+](=O)[O-])c1 ZINC000903103557 922776005 /nfs/dbraw/zinc/77/60/05/922776005.db2.gz JVGCXIFIWLOWFD-YWZLYKJASA-N 0 1 380.448 3.972 20 5 GHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2F)c(F)c1 ZINC000410414267 925617118 /nfs/dbraw/zinc/61/71/18/925617118.db2.gz AFKYCPZCAAOSSW-UHFFFAOYSA-N 0 1 383.159 3.981 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2nc(CN[C@@H](c3nnc[nH]3)c3ccccc3)cs2)c1 ZINC000372928791 925775367 /nfs/dbraw/zinc/77/53/67/925775367.db2.gz XUPKPMYHFKLBBN-QGZVFWFLSA-N 0 1 392.444 3.716 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2nc(CN3CCC[C@](CO)(c4ccccc4)C3)co2)cc1 ZINC000374557299 927280264 /nfs/dbraw/zinc/28/02/64/927280264.db2.gz PUCYYQJOMFPXTL-QFIPXVFZSA-N 0 1 393.443 3.776 20 5 GHBDMN CN(C)[C@H](CNC(=O)c1cccc(Cl)c1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000750081830 927425526 /nfs/dbraw/zinc/42/55/26/927425526.db2.gz VGTFYOZLWQJPNW-OAHLLOKOSA-N 0 1 382.247 3.934 20 5 GHBDMN COc1cc(CN(C)CC[C@H]2CCCO2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000467375368 929013016 /nfs/dbraw/zinc/01/30/16/929013016.db2.gz CZMDLCMBNNZKSI-CYBMUJFWSA-N 0 1 392.374 3.545 20 5 GHBDMN Nc1ccc(C(=O)N2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)cc1[N+](=O)[O-] ZINC000753735640 929508794 /nfs/dbraw/zinc/50/87/94/929508794.db2.gz YSJNSKCBCSKKNE-HNNXBMFYSA-N 0 1 385.811 3.684 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000469501110 929947422 /nfs/dbraw/zinc/94/74/22/929947422.db2.gz FYRQBHRBJDCCCW-KRWDZBQOSA-N 0 1 395.381 3.955 20 5 GHBDMN O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000469524063 929966069 /nfs/dbraw/zinc/96/60/69/929966069.db2.gz UBDWFDVLUFBPCW-GOSISDBHSA-N 0 1 389.839 3.521 20 5 GHBDMN CN(C)Cc1ccc(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)cc1F ZINC000782004469 931057067 /nfs/dbraw/zinc/05/70/67/931057067.db2.gz IRBVCPFGQVLQOF-UHFFFAOYSA-N 0 1 383.326 3.649 20 5 GHBDMN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000470981848 931075334 /nfs/dbraw/zinc/07/53/34/931075334.db2.gz FASMGHJQGSMQNB-QGZVFWFLSA-N 0 1 397.475 3.730 20 5 GHBDMN C[C@@H]1c2ccc(F)cc2CCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000782499163 931243492 /nfs/dbraw/zinc/24/34/92/931243492.db2.gz LYRFIHKNJHUBMU-GFCCVEGCSA-N 0 1 375.375 3.821 20 5 GHBDMN O=[N+]([O-])c1cccc([C@@H](O)CSc2nc(-c3ccc4c(c3)CCC4)n[nH]2)c1 ZINC000783656118 931609464 /nfs/dbraw/zinc/60/94/64/931609464.db2.gz LJEXMAMJRCESHA-KRWDZBQOSA-N 0 1 382.445 3.694 20 5 GHBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1 ZINC000559247609 932548854 /nfs/dbraw/zinc/54/88/54/932548854.db2.gz FKTHIUUIZYWJIS-KRWDZBQOSA-N 0 1 398.337 3.773 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2cc(NS(=O)(=O)C=Cc3ccccc3F)[nH]n2)c1 ZINC000799922597 933169323 /nfs/dbraw/zinc/16/93/23/933169323.db2.gz LNDUGGYGMNCDEC-HJWRWDBZSA-N 0 1 388.380 3.537 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2cc(NS(=O)(=O)C=Cc3ccccc3F)n[nH]2)c1 ZINC000799922597 933169330 /nfs/dbraw/zinc/16/93/30/933169330.db2.gz LNDUGGYGMNCDEC-HJWRWDBZSA-N 0 1 388.380 3.537 20 5 GHBDMN CC(=O)c1ccc(O)c(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)c1 ZINC000777782629 933428539 /nfs/dbraw/zinc/42/85/39/933428539.db2.gz VPUKNRBOFFDGHC-UHFFFAOYSA-N 0 1 397.431 3.992 20 5 GHBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@@H](C(=O)[O-])[C@@H](C)C2)cc1OC ZINC001589458864 954855274 /nfs/dbraw/zinc/85/52/74/954855274.db2.gz OAJSNVKTBWVOBE-OFQRWUPVSA-N 0 1 394.468 3.571 20 5 GHBDMN CCC[C@H]1CN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC001595625576 981750179 /nfs/dbraw/zinc/75/01/79/981750179.db2.gz WYGQFPZWOKLWHB-FQEVSTJZSA-N 0 1 397.475 3.780 20 5 GHBDMN CCC[N@@H+](Cc1ccc(F)cc1)Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001595888579 982918080 /nfs/dbraw/zinc/91/80/80/982918080.db2.gz OPIMKPZKTGBSFD-UHFFFAOYSA-N 0 1 376.384 3.610 20 5 GHBDMN O=[N+]([O-])c1cc2c(ncnc2N2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)s1 ZINC000367839480 1015047908 /nfs/dbraw/zinc/04/79/08/1015047908.db2.gz BDFJQAUJGNJNSP-ZDUSSCGKSA-N 0 1 393.432 3.726 20 5 GHBDMN O=[N+]([O-])c1cc2c(ncnc2N2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)s1 ZINC000367839480 1015047923 /nfs/dbraw/zinc/04/79/23/1015047923.db2.gz BDFJQAUJGNJNSP-ZDUSSCGKSA-N 0 1 393.432 3.726 20 5 GHBDMN C[C@H]([NH2+]Cc1ccc(C(=O)[O-])cc1Br)c1ccccc1[N+](=O)[O-] ZINC001599901252 984832678 /nfs/dbraw/zinc/83/26/78/984832678.db2.gz CVINIEBEGLOACP-JTQLQIEISA-N 0 1 379.210 3.906 20 5 GHBDMN C[C@@H](C(=O)[O-])[C@@H]([NH2+]Cc1c(Br)cccc1[N+](=O)[O-])c1ccccc1 ZINC001589467209 986923824 /nfs/dbraw/zinc/92/38/24/986923824.db2.gz BBKRTRUISAFRPN-BDJLRTHQSA-N 0 1 393.237 3.909 20 5 GHBDMN CC(=O)c1ccc(-c2noc(-c3cc(-c4cccc([N+](=O)[O-])c4)n[nH]3)n2)cc1 ZINC001212995262 1032304853 /nfs/dbraw/zinc/30/48/53/1032304853.db2.gz QURCQAVMZJVCNN-UHFFFAOYSA-N 0 1 375.344 3.905 20 5 GHBDMN CSc1nc(O[C@@H](C)c2ccccc2Br)c([N+](=O)[O-])c(=O)[nH]1 ZINC001227625199 1032490229 /nfs/dbraw/zinc/49/02/29/1032490229.db2.gz SGXDKXVYNYGCHZ-ZETCQYMHSA-N 0 1 386.227 3.715 20 5 GHBDMN CCc1[nH]nc(C(=O)N2CC=C(c3c[nH]c4cc(C)ccc43)CC2)c1[N+](=O)[O-] ZINC000558024940 1017095403 /nfs/dbraw/zinc/09/54/03/1017095403.db2.gz NGZGOAZCVDXKEB-UHFFFAOYSA-N 0 1 379.420 3.600 20 5 GHBDMN CO[C@H](CN1CCN(c2nccc3cc([N+](=O)[O-])ccc32)CC1)c1ccccc1 ZINC001155719525 1032662011 /nfs/dbraw/zinc/66/20/11/1032662011.db2.gz OLXMWQVRWCSGTD-OAQYLSRUSA-N 0 1 392.459 3.653 20 5 GHBDMN COC(=O)c1cc(C)nc(N2CCC[C@H]2c2nc3ccc(C)cc3[nH]2)c1[N+](=O)[O-] ZINC000561236614 1017816946 /nfs/dbraw/zinc/81/69/46/1017816946.db2.gz VQLVDKZZNQYNMX-INIZCTEOSA-N 0 1 395.419 3.611 20 5 GHBDMN C[C@@H](CN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H](C)CO)c1ccccc1 ZINC000561910005 1017977467 /nfs/dbraw/zinc/97/74/67/1017977467.db2.gz HCAHERLEITVIHA-HOTGVXAUSA-N 0 1 396.447 3.631 20 5 GHBDMN O=C(NCc1c(F)c(F)cc(F)c1F)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778033320 1018062073 /nfs/dbraw/zinc/06/20/73/1018062073.db2.gz TUFXPEXIKBVLSG-UHFFFAOYSA-N 0 1 378.228 3.559 20 5 GHBDMN O=[N+]([O-])c1cc(F)c(F)c(OC[C@@H]2CN(Cc3ccccc3)CCCO2)c1 ZINC001228017192 1032738761 /nfs/dbraw/zinc/73/87/61/1032738761.db2.gz UJAATGIQFVBTHV-INIZCTEOSA-N 0 1 378.375 3.543 20 5 GHBDMN COc1cc(CNC[C@H](Cc2ccccc2)C(F)(F)F)c([N+](=O)[O-])cc1O ZINC000574866585 1019915150 /nfs/dbraw/zinc/91/51/50/1019915150.db2.gz UIRXKAYDEIDNJG-AWEZNQCLSA-N 0 1 384.354 3.820 20 5 GHBDMN CC(C)c1ccc(CN[C@@H]2CCN(Cc3ccc(F)cc3)C2=O)cc1[N+](=O)[O-] ZINC000191768632 1020810191 /nfs/dbraw/zinc/81/01/91/1020810191.db2.gz GCVYZCUBYJMWSW-LJQANCHMSA-N 0 1 385.439 3.748 20 5 GHBDMN O=C(Nc1ccc2[nH]nnc2c1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000192718381 1020900703 /nfs/dbraw/zinc/90/07/03/1020900703.db2.gz GFGLWCCEWRDXDQ-UHFFFAOYSA-N 0 1 389.371 3.697 20 5 GHBDMN COC(=O)c1cc([N+](=O)[O-])c(O[C@H]2CC[C@H](OCc3ccccc3)C2)cc1O ZINC001228813841 1033112850 /nfs/dbraw/zinc/11/28/50/1033112850.db2.gz GXMMJJQXFKGDLE-GJZGRUSLSA-N 0 1 387.388 3.604 20 5 GHBDMN CCCCOC[C@@H](C)OC[C@@H](C)Oc1nc(C(F)(F)F)cc(O)c1[N+](=O)[O-] ZINC001228860319 1033145211 /nfs/dbraw/zinc/14/52/11/1033145211.db2.gz TXFUOJZPEKPPNC-GHMZBOCLSA-N 0 1 396.362 3.703 20 5 GHBDMN Cc1cc(F)cc(C(=O)N(C)C2CCN(CCC(F)(F)F)CC2)c1[N+](=O)[O-] ZINC000837185297 1024205072 /nfs/dbraw/zinc/20/50/72/1024205072.db2.gz XJUZOGAUZRVQDC-UHFFFAOYSA-N 0 1 391.365 3.531 20 5 GHBDMN O=[N+]([O-])c1ccc([C@@H](O)CN2CC[C@@H](c3cccc(Br)c3)C2)cc1 ZINC000831593548 1024669060 /nfs/dbraw/zinc/66/90/60/1024669060.db2.gz LRSZMFNGKQJQMD-QAPCUYQASA-N 0 1 391.265 3.880 20 5 GHBDMN O=[N+]([O-])c1cccc(CN2CCC[C@H](C[C@@H]3CCOC3)C2)c1Br ZINC000839537505 1026027174 /nfs/dbraw/zinc/02/71/74/1026027174.db2.gz XVEOKGYQQDELHZ-KGLIPLIRSA-N 0 1 383.286 3.996 20 5 GHBDMN O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1NCc1ccc2cncn2c1 ZINC001163459762 1026201469 /nfs/dbraw/zinc/20/14/69/1026201469.db2.gz OUVXBBQRNSOFKY-UHFFFAOYSA-N 0 1 387.268 3.904 20 5 GHBDMN C[C@H]1CN(c2nc(Cl)nc(Cl)c2[N+](=O)[O-])[C@@H](C)CN1Cc1ccccc1 ZINC001165202353 1026663353 /nfs/dbraw/zinc/66/33/53/1026663353.db2.gz UPMDRHKJEHDBPZ-RYUDHWBXSA-N 0 1 396.278 3.791 20 5 GHBDMN CNc1ccc(C(=O)N2CCN(Cc3ccccc3)[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC001166807757 1027088374 /nfs/dbraw/zinc/08/83/74/1027088374.db2.gz RGCTWJZXUHNODA-OAQYLSRUSA-N 0 1 396.491 3.619 20 5 GHBDMN CC(C)OCc1cc(NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)ccc1O ZINC001141751246 1027102175 /nfs/dbraw/zinc/10/21/75/1027102175.db2.gz JNSSVNMXTZRNFX-UHFFFAOYSA-N 0 1 396.403 3.868 20 5 GHBDMN COc1cccc([C@H]2C[C@H](N(C)Cn3cc([N+](=O)[O-])c(-c4ccncc4)n3)C2)c1 ZINC000840148136 1027282206 /nfs/dbraw/zinc/28/22/06/1027282206.db2.gz LJRMEXZSXIJHAH-IYARVYRRSA-N 0 1 393.447 3.697 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N[C@@H]2C[C@@H]2C2CCCCC2)c1 ZINC001210312687 1027443349 /nfs/dbraw/zinc/44/33/49/1027443349.db2.gz ZNWFNQPOZNOPGX-DGCLKSJQSA-N 0 1 376.837 3.634 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N[C@H]2C[C@@H]2C2CCCCC2)c1 ZINC001210312689 1027443573 /nfs/dbraw/zinc/44/35/73/1027443573.db2.gz ZNWFNQPOZNOPGX-YPMHNXCESA-N 0 1 376.837 3.634 20 5 GHBDMN C[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)c1ccc(F)cc1F ZINC001210563254 1027557462 /nfs/dbraw/zinc/55/74/62/1027557462.db2.gz GXQRPEKXTXKFFR-SSDOTTSWSA-N 0 1 394.758 3.705 20 5 GHBDMN CC[C@@H](NCC(=O)Nc1cc(Cl)ccc1OC)c1cccc([N+](=O)[O-])c1 ZINC000181542089 1029034744 /nfs/dbraw/zinc/03/47/44/1029034744.db2.gz LHQCPNKKNGCQEN-OAHLLOKOSA-N 0 1 377.828 3.936 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2nc(-c3ncccc3/C=C/N3CCCC3)no2)cc1F ZINC001215729663 1029372704 /nfs/dbraw/zinc/37/27/04/1029372704.db2.gz YVQCZEBGQILNEU-YRNVUSSQSA-N 0 1 381.367 3.912 20 5 GHBDMN CCN(CC)c1ccc(-c2noc(-c3cc(O)c(OC)cc3[N+](=O)[O-])n2)cc1 ZINC001216343763 1029609517 /nfs/dbraw/zinc/60/95/17/1029609517.db2.gz SWJHZAYZZUASHR-UHFFFAOYSA-N 0 1 384.392 3.872 20 5 GHBDMN COc1cc([N+](=O)[O-])c(-c2nc(-c3cc(Cl)c(F)cc3F)no2)cc1O ZINC001216343782 1029609725 /nfs/dbraw/zinc/60/97/25/1029609725.db2.gz TUBHDBIRMLOMHW-UHFFFAOYSA-N 0 1 383.694 3.958 20 5 GHBDMN Nc1cccc(CN2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)c1 ZINC000843358725 1029937085 /nfs/dbraw/zinc/93/70/85/1029937085.db2.gz ZHLBVWHSLANDGF-UHFFFAOYSA-N 0 1 380.370 3.518 20 5 GHBDMN Cc1cc(F)c(-c2nc(-c3ccc(N4CCN(C)CC4)cc3)no2)cc1[N+](=O)[O-] ZINC001216951160 1030025813 /nfs/dbraw/zinc/02/58/13/1030025813.db2.gz RTROSBRKPZGWAS-UHFFFAOYSA-N 0 1 397.410 3.511 20 5 GHBDMN CCOC(=O)c1ccc(CO[C@@H]2CC[N@H+]([C@@H](C)c3ccccn3)C2)c([N+](=O)[O-])c1 ZINC001223960885 1030830510 /nfs/dbraw/zinc/83/05/10/1030830510.db2.gz NWENIEFBUCEZHT-MAUKXSAKSA-N 0 1 399.447 3.519 20 5 GHBDMN CCOC(=O)c1ccc(CO[C@@H]2CCN([C@@H](C)c3ccccn3)C2)c([N+](=O)[O-])c1 ZINC001223960885 1030830531 /nfs/dbraw/zinc/83/05/31/1030830531.db2.gz NWENIEFBUCEZHT-MAUKXSAKSA-N 0 1 399.447 3.519 20 5 GHBDMN Cc1ccc(C(=O)c2cc([O-])c(O[C@@H]3CC[NH2+]CC3(C)C)c([N+](=O)[O-])c2)cc1 ZINC001218312682 1030886054 /nfs/dbraw/zinc/88/60/54/1030886054.db2.gz XJKNDDLUNSZSDL-GOSISDBHSA-N 0 1 384.432 3.607 20 5 GHBDMN Cc1c(CNC(=O)N2C[C@H](C)N(Cc3ccccc3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC001226215749 1031858634 /nfs/dbraw/zinc/85/86/34/1031858634.db2.gz FFFKUERDWPHIEX-IRXDYDNUSA-N 0 1 396.491 3.708 20 5 GHBDMN N[C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)NC[C@@H](O)C1CCCCC1 ZINC001220467045 1031952785 /nfs/dbraw/zinc/95/27/85/1031952785.db2.gz LDPGSEDZARQCJN-BJKOFHAPSA-N 0 1 390.527 3.920 20 5 GHBDMN CC(=O)Nc1ccc([N+](=O)[O-])cc1O[C@H]1CCCN([C@@H](C)c2ccccn2)C1 ZINC001230251287 1033962656 /nfs/dbraw/zinc/96/26/56/1033962656.db2.gz PCIGRFPVJBMFRS-YOEHRIQHSA-N 0 1 384.436 3.553 20 5 GHBDMN O=[N+]([O-])c1cc([N+](=O)[O-])c(O[C@H]2CC[N@H+](Cc3ccc(Cl)cc3)C2)cc1[O-] ZINC001231222841 1034471473 /nfs/dbraw/zinc/47/14/73/1034471473.db2.gz BNDHJCASMZRCRE-ZDUSSCGKSA-N 0 1 393.783 3.515 20 5 GHBDMN O=[N+]([O-])c1cc([N+](=O)[O-])c(O[C@H]2CC[N@@H+](Cc3ccc(Cl)cc3)C2)cc1[O-] ZINC001231222841 1034471479 /nfs/dbraw/zinc/47/14/79/1034471479.db2.gz BNDHJCASMZRCRE-ZDUSSCGKSA-N 0 1 393.783 3.515 20 5 GHBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCC1(c2ccc(F)cc2)CCCC1 ZINC001208372244 1034873789 /nfs/dbraw/zinc/87/37/89/1034873789.db2.gz DOCGANWEAGBSFD-UHFFFAOYSA-N 0 1 396.415 3.663 20 5 GHBDMN O=C(Nc1ccc2nc(-c3ccncc3)[nH]c2c1)c1cc(F)cc([N+](=O)[O-])c1 ZINC001161775064 1035298667 /nfs/dbraw/zinc/29/86/67/1035298667.db2.gz NPPRDXDUPUNRGU-UHFFFAOYSA-N 0 1 377.335 3.925 20 5 GHBDMN C[C@@H](NC[C@@H](O)COc1ccccc1C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000544121999 1040008154 /nfs/dbraw/zinc/00/81/54/1040008154.db2.gz POJCKWPAKKUSBM-CHWSQXEVSA-N 0 1 384.354 3.704 20 5 GHBDMN O=[N+]([O-])c1ccc(N2CCC(N3CC4(CCN4Cc4ccccc4)C3)CC2)cc1 ZINC001254480202 1040266255 /nfs/dbraw/zinc/26/62/55/1040266255.db2.gz XVVHGVSNNLOAPG-UHFFFAOYSA-N 0 1 392.503 3.524 20 5 GHBDMN CC(C)=CCc1c(O)cc(OC2COCOC2)c2c(=O)c3cccc(O)c3oc12 ZINC001234742315 1040267767 /nfs/dbraw/zinc/26/77/67/1040267767.db2.gz WMAOAVYMDFETRJ-UHFFFAOYSA-N 0 1 398.411 3.618 20 5 GHBDMN O=[N+]([O-])c1ccc(N2CCC(n3cncc3CNCc3ccccc3)CC2)cc1 ZINC001254481502 1040268242 /nfs/dbraw/zinc/26/82/42/1040268242.db2.gz WRCJWVKBTGCNOL-UHFFFAOYSA-N 0 1 391.475 3.923 20 5 GHBDMN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCC[C@@](C)(NC(=O)OC(C)(C)C)C1 ZINC001254549899 1040317042 /nfs/dbraw/zinc/31/70/42/1040317042.db2.gz ADXOTNPQMMPESQ-FOIQADDNSA-N 0 1 377.485 3.905 20 5 GHBDMN O=[N+]([O-])c1ccc2c(c1)C[C@H](N1Cc3cnc(-c4ccc(F)cc4)nc3C1)C2 ZINC001254606838 1040378359 /nfs/dbraw/zinc/37/83/59/1040378359.db2.gz IHRBKEIYDICYFQ-LJQANCHMSA-N 0 1 376.391 3.674 20 5 GHBDMN Cc1ccc(-c2nnc(-c3cc([N+](=O)[O-])cc(N4CCN(C)CC4)c3)o2)cc1C ZINC001256604503 1043566957 /nfs/dbraw/zinc/56/69/57/1043566957.db2.gz YIWWSIZDXWJJNF-UHFFFAOYSA-N 0 1 393.447 3.680 20 5 GHBDMN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1CC(Cc2c(F)cccc2F)C1 ZINC001294170326 1044506767 /nfs/dbraw/zinc/50/67/67/1044506767.db2.gz MQFADURVUJSMMB-UHFFFAOYSA-N 0 1 398.369 3.578 20 5 GHBDMN Cc1ccc(CN2CC[C@@H](NC(=O)c3ccc([N+](=O)[O-])c(OC(C)C)c3)C2)cc1 ZINC001302724645 1047067627 /nfs/dbraw/zinc/06/76/27/1047067627.db2.gz PPQNLHNODYFMFU-LJQANCHMSA-N 0 1 397.475 3.695 20 5 GHBDMN Cc1cccc(C(=O)N2CCN(Cc3ccccc3)[C@@H](C(C)C)C2)c1[N+](=O)[O-] ZINC001279365361 1047781763 /nfs/dbraw/zinc/78/17/63/1047781763.db2.gz TVBIJRKHRDMAOA-HXUWFJFHSA-N 0 1 381.476 3.886 20 5 GHBDMN CCOC(=O)c1cccc2nc(NC(=O)c3cccc(Cl)c3[N+](=O)[O-])[nH]c21 ZINC001463316622 1070983719 /nfs/dbraw/zinc/98/37/19/1070983719.db2.gz UQTWZQUUQDAWBM-UHFFFAOYSA-N 0 1 388.767 3.554 20 5 GHBDMN O=C(Nc1nccc2cc([N+](=O)[O-])ccc21)c1ccc(Nc2ccncc2)cc1 ZINC001306862211 1048932222 /nfs/dbraw/zinc/93/22/22/1048932222.db2.gz FPCUTTWKCLWCPN-UHFFFAOYSA-N 0 1 385.383 3.956 20 5 GHBDMN COc1ccc2ncc([N+](=O)[O-])c(N3CCN(Cc4ccccc4)[C@H](C)C3)c2c1 ZINC001307140786 1049099180 /nfs/dbraw/zinc/09/91/80/1049099180.db2.gz HNOXEENLJHCTDG-MRXNPFEDSA-N 0 1 392.459 3.862 20 5 GHBDMN Cc1ccc(C)c(N2CCN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3C)CC2)c1 ZINC001307523652 1049368820 /nfs/dbraw/zinc/36/88/20/1049368820.db2.gz BCGSULQUQZAXPX-UHFFFAOYSA-N 0 1 396.491 3.671 20 5 GHBDMN CCOc1cc(N2CCN(C[C@@H]3CCCC4(CCC4)O3)CC2)ccc1[N+](=O)[O-] ZINC001307734641 1049546346 /nfs/dbraw/zinc/54/63/46/1049546346.db2.gz QWJWGRWVQJBNPY-SFHVURJKSA-N 0 1 389.496 3.607 20 5 GHBDMN O=[N+]([O-])c1ccccc1CN1CCC[C@H](c2ncc(Br)cn2)C1 ZINC001308076568 1049823501 /nfs/dbraw/zinc/82/35/01/1049823501.db2.gz QUQIJYFNEDBIBC-ZDUSSCGKSA-N 0 1 377.242 3.527 20 5 GHBDMN C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC001290893315 1049946191 /nfs/dbraw/zinc/94/61/91/1049946191.db2.gz DLYKEVIOQQRHRO-OAHLLOKOSA-N 0 1 383.448 3.605 20 5 GHBDMN O=[N+]([O-])c1ccccc1-c1ccc(CNCc2n[nH]c(C3CCOCC3)n2)s1 ZINC001308486618 1049987527 /nfs/dbraw/zinc/98/75/27/1049987527.db2.gz SVSOITGISXBCPQ-UHFFFAOYSA-N 0 1 399.476 3.625 20 5 GHBDMN CCc1noc([C@H]2CC[C@H](NCc3c(Br)cccc3[N+](=O)[O-])C2)n1 ZINC001308540367 1050003494 /nfs/dbraw/zinc/00/34/94/1050003494.db2.gz FVTFTLQWLRZOIM-QWRGUYRKSA-N 0 1 395.257 3.729 20 5 GHBDMN CC(C)(C)OC(=O)N1CC2CC1(CNCc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC001308872465 1050132425 /nfs/dbraw/zinc/13/24/25/1050132425.db2.gz RWAJAGGQSWDFJX-UHFFFAOYSA-N 0 1 381.860 3.737 20 5 GHBDMN CC[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000904401599 1050824127 /nfs/dbraw/zinc/82/41/27/1050824127.db2.gz RNLJNZKCLDDEHO-FQEVSTJZSA-N 0 1 375.469 3.662 20 5 GHBDMN O=C(OCc1ccc([N+](=O)[O-])cc1Br)c1cccc2[nH]ncc21 ZINC001343960267 1054146479 /nfs/dbraw/zinc/14/64/79/1054146479.db2.gz VUHSQAYCLYQFLR-UHFFFAOYSA-N 0 1 376.166 3.591 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N2CC(Cc3ccccc3C(F)(F)F)C2)c1[N+](=O)[O-] ZINC001319395654 1055226634 /nfs/dbraw/zinc/22/66/34/1055226634.db2.gz YVRODYZKVFNEBQ-UHFFFAOYSA-N 0 1 396.369 3.775 20 5 GHBDMN O=C([O-])[C@@H]1C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C[C@H]1c1ccc(F)cc1F ZINC001353916360 1056127401 /nfs/dbraw/zinc/12/74/01/1056127401.db2.gz SUHNGKLZDAPZLG-BALLFRDNSA-N 0 1 388.370 3.686 20 5 GHBDMN Cc1cc(Cl)c([N+](=O)[O-])cc1NS(=O)(=O)c1c[nH]c(C(F)(F)F)c1 ZINC001323949797 1057042309 /nfs/dbraw/zinc/04/23/09/1057042309.db2.gz YPKNJLKXQDLADD-UHFFFAOYSA-N 0 1 383.735 3.704 20 5 GHBDMN CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](CC)N1CCc2ccccc2C1 ZINC001441239659 1058733737 /nfs/dbraw/zinc/73/37/37/1058733737.db2.gz JWACOSVYDPYWAT-GOSISDBHSA-N 0 1 397.475 3.560 20 5 GHBDMN CCC1(CC)[C@H](N(C)C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)C[C@@H]1OC ZINC001446528642 1059791965 /nfs/dbraw/zinc/79/19/65/1059791965.db2.gz ADUOHQPVTJVODI-MSOLQXFVSA-N 0 1 386.452 3.651 20 5 GHBDMN COc1ccc2nc([C@H](C)NC(=O)c3ccc([N+](=O)[O-])c4cccnc34)[nH]c2c1 ZINC001448112187 1060109738 /nfs/dbraw/zinc/10/97/38/1060109738.db2.gz DRPPQLHLCCIKSK-NSHDSACASA-N 0 1 391.387 3.519 20 5 GHBDMN Cc1cccc(CN2CC[C@@H](NC(=O)c3c(C)cc(C)c([N+](=O)[O-])c3C)C2)c1 ZINC001454310529 1061709051 /nfs/dbraw/zinc/70/90/51/1061709051.db2.gz HOPSOYQRTMQARQ-LJQANCHMSA-N 0 1 381.476 3.833 20 5 GHBDMN O=C(c1ccc(CN2CCCCC2)o1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001458470425 1063831018 /nfs/dbraw/zinc/83/10/18/1063831018.db2.gz SBZQCPGFKMSUAJ-UHFFFAOYSA-N 0 1 383.448 3.979 20 5 GHBDMN CN1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)[C@@H](Cc2ccccc2)C1 ZINC001458481523 1063837624 /nfs/dbraw/zinc/83/76/24/1063837624.db2.gz LNUKZSHGNNRVCF-INIZCTEOSA-N 0 1 379.382 3.977 20 5 GHBDMN Cc1cccc(C)c1CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC001463397186 1064312678 /nfs/dbraw/zinc/31/26/78/1064312678.db2.gz RRSJSGOXJMHBGW-UHFFFAOYSA-N 0 1 389.260 3.997 20 5 GHBDMN C[C@@H](c1nc2ccc(Cl)cc2[nH]1)N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001464082644 1064807341 /nfs/dbraw/zinc/80/73/41/1064807341.db2.gz OLMXJPFUULXNQA-JTQLQIEISA-N 0 1 394.840 3.506 20 5 GHBDMN CC(C)C1CCC(N2CCN(C(=O)Cc3ccc(F)cc3[N+](=O)[O-])CC2)CC1 ZINC001465647490 1065768174 /nfs/dbraw/zinc/76/81/74/1065768174.db2.gz JYGAUZUGZFONBG-UHFFFAOYSA-N 0 1 391.487 3.635 20 5 GHBDMN O=C(Nc1nc(-c2cccs2)ns1)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001468657087 1067809500 /nfs/dbraw/zinc/80/95/00/1067809500.db2.gz MSZWUKYQKNDRPK-UHFFFAOYSA-N 0 1 398.429 3.817 20 5 GHBDMN Cc1ccc(NCCCNC(=O)c2n[nH]c3ccc(Cl)cc32)c([N+](=O)[O-])c1 ZINC001360842810 1068657855 /nfs/dbraw/zinc/65/78/55/1068657855.db2.gz FABLKDUSAZEGFC-UHFFFAOYSA-N 0 1 387.827 3.665 20 5 GHBDMN CC(C)(C)OC(=O)N1CCCC[C@]12CCN(Cc1ccccc1[N+](=O)[O-])C2 ZINC001460815444 1069197728 /nfs/dbraw/zinc/19/77/28/1069197728.db2.gz CQDXFHBWBRZYFJ-HXUWFJFHSA-N 0 1 375.469 3.960 20 5 GHBDMN C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)N1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001460852749 1069223036 /nfs/dbraw/zinc/22/30/36/1069223036.db2.gz RREKAKYBRNVOLU-ZOCZFRKYSA-N 0 1 383.448 3.774 20 5 GHBDMN Cc1c(NC(=O)CCN(C)Cc2cc(-c3ccccc3)n[nH]2)cccc1[N+](=O)[O-] ZINC001460922381 1069276308 /nfs/dbraw/zinc/27/63/08/1069276308.db2.gz AUVVXAAKDYJGNN-UHFFFAOYSA-N 0 1 393.447 3.754 20 5 GHBDMN O=C(c1c(O)cc(Cl)cc1Cl)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001472546513 1073543226 /nfs/dbraw/zinc/54/32/26/1073543226.db2.gz QVNORRFQMCYTGG-UHFFFAOYSA-N 0 1 383.187 3.511 20 5 GHBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@@H]2C[C@H]1CN2Cc1ccccc1 ZINC001473682902 1074084899 /nfs/dbraw/zinc/08/48/99/1074084899.db2.gz KGKFKPNXEHGFHY-SFTDATJTSA-N 0 1 381.476 3.841 20 5 GHBDMN CCOC(=O)[C@@H]1[C@H](C)C[C@H](C)[N@@H+](Cc2ccc([N+](=O)[O-])c(OCC)c2)[C@@H]1C ZINC001473880801 1074189058 /nfs/dbraw/zinc/18/90/58/1074189058.db2.gz BXPWLBMOKTXQHQ-NXEZDXNNSA-N 0 1 378.469 3.792 20 5 GHBDMN Cc1c(CNCc2cc(Cl)ccc2N2CCOCC2)cccc1[N+](=O)[O-] ZINC001474128098 1074270632 /nfs/dbraw/zinc/27/06/32/1074270632.db2.gz LHLNPNNTGPQSCE-UHFFFAOYSA-N 0 1 375.856 3.683 20 5 GHBDMN Cc1[nH+]ccn1-c1ccccc1CNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000738895925 599841668 /nfs/dbraw/zinc/84/16/68/599841668.db2.gz ZPJTURGAZFNAQE-CLFYSBASSA-N 0 1 378.388 3.799 20 5 GHBDMN CC(C)N(C)Cc1cnc2n1CCN(c1ccc3ccc([N+](=O)[O-])cc3n1)[C@H]2C ZINC001164859982 720948309 /nfs/dbraw/zinc/94/83/09/720948309.db2.gz OURWJNYULJOUON-HNNXBMFYSA-N 0 1 394.479 3.761 20 5 GHBDMN O=C(NC[C@H](c1ccccc1)C(F)(F)F)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000188633330 837451410 /nfs/dbraw/zinc/45/14/10/837451410.db2.gz DJVYQYLQHSNREQ-CYBMUJFWSA-N 0 1 378.310 3.547 20 5 GHBDMN CC(=O)NCCN(C)Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000582003852 837769008 /nfs/dbraw/zinc/76/90/08/837769008.db2.gz HAQOXUHZAOPZLI-UHFFFAOYSA-N 0 1 377.828 3.608 20 5 GHBDMN CCN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H](COC)Cc1ccccc1 ZINC000472323284 834675771 /nfs/dbraw/zinc/67/57/71/834675771.db2.gz SMMHPGPNJWVNPR-LJQANCHMSA-N 0 1 396.447 3.724 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1CN1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000430197684 835009568 /nfs/dbraw/zinc/00/95/68/835009568.db2.gz WDAGZQJRWDGCBK-UHFFFAOYSA-N 0 1 387.411 3.593 20 5 GHBDMN O=C(CSc1nc(-c2ccc3c(c2)CCC3)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000610221846 835242747 /nfs/dbraw/zinc/24/27/47/835242747.db2.gz XDNBARFXCZHKFW-UHFFFAOYSA-N 0 1 380.429 3.844 20 5 GHBDMN COc1cc(CN2CC[C@@H](Cc3ccncc3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000611983763 835299372 /nfs/dbraw/zinc/29/93/72/835299372.db2.gz IOIVQPUQLFNJBP-AWEZNQCLSA-N 0 1 393.390 3.664 20 5 GHBDMN CN(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000278552979 835372580 /nfs/dbraw/zinc/37/25/80/835372580.db2.gz ZJHGCRNYYVTSKV-VQIMIIECSA-N 0 1 389.383 3.994 20 5 GHBDMN CCOc1ccc([C@@H](C)NCc2ccc(N3CCCC3=O)cc2)cc1[N+](=O)[O-] ZINC000179394904 835677502 /nfs/dbraw/zinc/67/75/02/835677502.db2.gz MHDSFAIEFVOTRU-OAHLLOKOSA-N 0 1 383.448 3.971 20 5 GHBDMN C[C@@H](N[C@@H](C)c1cccc(OC(F)F)c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000179594799 835895192 /nfs/dbraw/zinc/89/51/92/835895192.db2.gz PRXOAISUOQWNMM-NWDGAFQWSA-N 0 1 379.363 3.874 20 5 GHBDMN O=[N+]([O-])c1cc2c(cc1CNC[C@@H](c1ccccc1)C(F)(F)F)OCCO2 ZINC000614408871 835925015 /nfs/dbraw/zinc/92/50/15/835925015.db2.gz DCJLQKLBXLHNEJ-AWEZNQCLSA-N 0 1 382.338 3.802 20 5 GHBDMN Cc1cc(N2CCC(CCCN3CCOCC3)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000302008851 835957572 /nfs/dbraw/zinc/95/75/72/835957572.db2.gz BNBBPKTZAFTNHC-UHFFFAOYSA-N 0 1 398.507 3.780 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000179769067 835972315 /nfs/dbraw/zinc/97/23/15/835972315.db2.gz YPWHZUXJVSKWFQ-CQSZACIVSA-N 0 1 396.447 3.541 20 5 GHBDMN CS(=O)(=O)c1ccc(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1Cl ZINC000278791590 836062394 /nfs/dbraw/zinc/06/23/94/836062394.db2.gz QJYKBAKQCQWUDA-QGZVFWFLSA-N 0 1 394.880 3.819 20 5 GHBDMN COc1c(F)cc(S(=O)(=O)Nc2cccc(C(C)(F)F)c2)cc1[N+](=O)[O-] ZINC000188554788 836251238 /nfs/dbraw/zinc/25/12/38/836251238.db2.gz OJVOPZYOCRMVBM-UHFFFAOYSA-N 0 1 390.339 3.655 20 5 GHBDMN O=C(CN(C1CC1)[C@@H]1CCc2ccccc21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000065951565 836321214 /nfs/dbraw/zinc/32/12/14/836321214.db2.gz MTWLZHKUTXPYHP-HXUWFJFHSA-N 0 1 377.444 3.636 20 5 GHBDMN Cc1ccc([C@@H](CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)N2CCCC2)o1 ZINC000170641127 836507403 /nfs/dbraw/zinc/50/74/03/836507403.db2.gz PUUSVIUKLYWQGC-GOSISDBHSA-N 0 1 384.436 3.630 20 5 GHBDMN O=C(CCn1cc([N+](=O)[O-])cn1)Nc1ccc2nc(-c3cccc(F)c3)[nH]c2c1 ZINC000066048250 836635376 /nfs/dbraw/zinc/63/53/76/836635376.db2.gz GPMKMAHGZWHRIF-UHFFFAOYSA-N 0 1 394.366 3.503 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NC[C@@H]1Cc2ccccc21 ZINC000610261622 836871814 /nfs/dbraw/zinc/87/18/14/836871814.db2.gz YVUUHZKCSRKXBH-JTQLQIEISA-N 0 1 387.244 3.520 20 5 GHBDMN C[C@@H]1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000177661082 836971389 /nfs/dbraw/zinc/97/13/89/836971389.db2.gz RUJPPLGLXXEUBW-OAHLLOKOSA-N 0 1 387.867 3.985 20 5 GHBDMN CCOc1ccc([C@@H](C)N[C@@H]2CCN(c3ccc(F)cc3)C2=O)cc1[N+](=O)[O-] ZINC000414303783 836988048 /nfs/dbraw/zinc/98/80/48/836988048.db2.gz CDYADEXSPUDKKF-CXAGYDPISA-N 0 1 387.411 3.589 20 5 GHBDMN Cc1nc2c(n1[C@H]1CCN(C(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)C1)CCCC2 ZINC000275561563 837238415 /nfs/dbraw/zinc/23/84/15/837238415.db2.gz HONPILSCUQFUPJ-HNNXBMFYSA-N 0 1 393.447 3.547 20 5 GHBDMN CC[C@@H](NCC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccc(OC)c(OC)c1 ZINC000510270384 837264901 /nfs/dbraw/zinc/26/49/01/837264901.db2.gz SBRRDTHJUSESAG-MRXNPFEDSA-N 0 1 387.436 3.600 20 5 GHBDMN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(C(=O)OCC)c[nH]1 ZINC000415649499 837935980 /nfs/dbraw/zinc/93/59/80/837935980.db2.gz QDCWEGJHYGSURF-UHFFFAOYSA-N 0 1 392.437 3.639 20 5 GHBDMN CC(C)[C@H]1CN(C)CCN1C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000610003400 838277663 /nfs/dbraw/zinc/27/76/63/838277663.db2.gz BJNYMDYPQPRQFB-OAQYLSRUSA-N 0 1 396.491 3.619 20 5 GHBDMN COc1cccc(C=C2CCN(C[C@@H](O)COc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000472950508 838722587 /nfs/dbraw/zinc/72/25/87/838722587.db2.gz KTRIXJVMEZYIFF-HXUWFJFHSA-N 0 1 398.459 3.523 20 5 GHBDMN CCO[C@H]1C[C@](N)(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C1(C)C ZINC000275768529 838783583 /nfs/dbraw/zinc/78/35/83/838783583.db2.gz LNEVXYYTYATQEK-RXVVDRJESA-N 0 1 399.447 3.858 20 5 GHBDMN Cc1ccc2nc([C@@H]3CCCN(C(=O)Cc4ccccc4[N+](=O)[O-])C3)[nH]c2c1 ZINC000120184496 839728989 /nfs/dbraw/zinc/72/89/89/839728989.db2.gz ORCSSVMQGVLQQP-MRXNPFEDSA-N 0 1 378.432 3.728 20 5 GHBDMN CCOCCO[C@H]1CCN(Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000535808261 844509305 /nfs/dbraw/zinc/50/93/05/844509305.db2.gz ZKNWDWFEKQKMFZ-FQEVSTJZSA-N 0 1 399.491 3.990 20 5 GHBDMN CCOc1ccc([C@H](C)NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000124824222 841017640 /nfs/dbraw/zinc/01/76/40/841017640.db2.gz VGWOTIYMRZTPNH-LBPRGKRZSA-N 0 1 377.828 3.936 20 5 GHBDMN Cc1cc(S(=O)(=O)Nc2cc(F)cc([N+](=O)[O-])c2)ccc1Br ZINC000319089960 841149235 /nfs/dbraw/zinc/14/92/35/841149235.db2.gz UNCAAHRXZHWXSU-UHFFFAOYSA-N 0 1 389.202 3.606 20 5 GHBDMN Cc1cc(C(=O)N2CCN(c3cc(C)nc4ccc([N+](=O)[O-])cc43)CC2)c(C)o1 ZINC000302187799 861235028 /nfs/dbraw/zinc/23/50/28/861235028.db2.gz QCJYYZCJCJNZOF-UHFFFAOYSA-N 0 1 394.431 3.624 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2cc(NS(=O)(=O)C=Cc3ccc(F)cc3)n[nH]2)c1 ZINC000255333449 841833726 /nfs/dbraw/zinc/83/37/26/841833726.db2.gz WBRDHSVXMMLZNP-HJWRWDBZSA-N 0 1 388.380 3.537 20 5 GHBDMN O=[N+]([O-])c1c(NC2CCN(Cc3ccc(Cl)cc3)CC2)nc2ccccn21 ZINC000247353998 842088916 /nfs/dbraw/zinc/08/89/16/842088916.db2.gz XFGZTMAMONCCKQ-UHFFFAOYSA-N 0 1 385.855 3.972 20 5 GHBDMN C[C@@H](CCNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)c1ccccc1 ZINC001211672508 842093360 /nfs/dbraw/zinc/09/33/60/842093360.db2.gz YQFGXDOGOFZUCU-NSHDSACASA-N 0 1 386.832 3.859 20 5 GHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000432349073 842131406 /nfs/dbraw/zinc/13/14/06/842131406.db2.gz URZKAYQURHFEHE-MRXNPFEDSA-N 0 1 378.837 3.884 20 5 GHBDMN O=[N+]([O-])c1cccc(F)c1CN[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000136694122 842449928 /nfs/dbraw/zinc/44/99/28/842449928.db2.gz AHRJGIVXRXCLEY-OAHLLOKOSA-N 0 1 395.316 3.750 20 5 GHBDMN C[C@@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(OCC(F)(F)F)cc1 ZINC000178206811 842480247 /nfs/dbraw/zinc/48/02/47/842480247.db2.gz KFGRCTXYDNFCOW-GFCCVEGCSA-N 0 1 397.353 3.825 20 5 GHBDMN O=C(C[C@@H]1C=CCC1)Nc1ccccc1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000432493737 842683535 /nfs/dbraw/zinc/68/35/35/842683535.db2.gz XUAWYVMYMHPTFS-CYBMUJFWSA-N 0 1 381.388 3.848 20 5 GHBDMN Cc1cc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000567980435 842912479 /nfs/dbraw/zinc/91/24/79/842912479.db2.gz AMPMLNSZEPCJJK-UHFFFAOYSA-N 0 1 389.839 3.577 20 5 GHBDMN Cc1ccc(NC(=O)NC(=O)[C@@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000056195801 861451631 /nfs/dbraw/zinc/45/16/31/861451631.db2.gz LNKIGDUGZLRVCU-HUUCEWRRSA-N 0 1 384.436 3.599 20 5 GHBDMN Cc1ncc(CNCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)c(=O)[nH]1 ZINC000544180687 845230886 /nfs/dbraw/zinc/23/08/86/845230886.db2.gz LEWWOXIBSVZRIL-UHFFFAOYSA-N 0 1 384.367 3.620 20 5 GHBDMN Cn1ccnc1[C@H](NC[C@H]1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000611560614 845382052 /nfs/dbraw/zinc/38/20/52/845382052.db2.gz DRQFHDHQTFLHRT-HRAATJIYSA-N 0 1 376.460 3.812 20 5 GHBDMN O=C(N[C@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1)c1n[nH]cc1[N+](=O)[O-] ZINC000539096374 845846676 /nfs/dbraw/zinc/84/66/76/845846676.db2.gz FQMXGAVDGARHOM-LBPRGKRZSA-N 0 1 388.733 3.871 20 5 GHBDMN O=C(NC[C@H](c1ccco1)N1CCCCC1)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000119809538 846306912 /nfs/dbraw/zinc/30/69/12/846306912.db2.gz WDFQDVUVHFOFNE-GOSISDBHSA-N 0 1 382.420 3.626 20 5 GHBDMN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000478160503 846988954 /nfs/dbraw/zinc/98/89/54/846988954.db2.gz DCIIBASLKIAUFY-MRXNPFEDSA-N 0 1 385.489 3.711 20 5 GHBDMN O=C(NC[C@@H]1CCCCN1C1CC1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000277597240 847221136 /nfs/dbraw/zinc/22/11/36/847221136.db2.gz TVDBRPOTKDBBLM-KRWDZBQOSA-N 0 1 375.472 3.840 20 5 GHBDMN N=C1Nc2nc3ccccc3n2[C@H](c2ccc(-c3ccc([N+](=O)[O-])cc3)s2)N1 ZINC000023623119 847329721 /nfs/dbraw/zinc/32/97/21/847329721.db2.gz LKOCDTIQERVBMS-QGZVFWFLSA-N 0 1 390.428 3.960 20 5 GHBDMN COc1ccc(NC(=O)CN[C@]2(c3ccc(Cl)cc3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000503367839 847631461 /nfs/dbraw/zinc/63/14/61/847631461.db2.gz BIQNNBVOMBOVRS-HXPMCKFVSA-N 0 1 389.839 3.720 20 5 GHBDMN C[C@H]1C[C@]1(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000503364058 847641998 /nfs/dbraw/zinc/64/19/98/847641998.db2.gz CMNUELOENTXZLI-SCLBCKFNSA-N 0 1 394.880 3.547 20 5 GHBDMN CC[C@H](C)c1nc([C@H](C)NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000277857735 848249395 /nfs/dbraw/zinc/24/93/95/848249395.db2.gz NWSOEQPTHNPKEW-SRVKXCTJSA-N 0 1 377.470 3.584 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000434907289 849889200 /nfs/dbraw/zinc/88/92/00/849889200.db2.gz WRYIJTVQRJQFTQ-RLFYNMQTSA-N 0 1 383.448 3.808 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N2CCc3cccc(C(F)(F)F)c3C2)c1[N+](=O)[O-] ZINC000600490738 862092198 /nfs/dbraw/zinc/09/21/98/862092198.db2.gz LIUVNRKVZNBWME-UHFFFAOYSA-N 0 1 382.342 3.659 20 5 GHBDMN Cc1cnn(-c2ccc(C)cc2NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000435140199 850138700 /nfs/dbraw/zinc/13/87/00/850138700.db2.gz SHAZGRUMAQZVRJ-UHFFFAOYSA-N 0 1 386.433 3.507 20 5 GHBDMN CC(C)(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000514741241 850223408 /nfs/dbraw/zinc/22/34/08/850223408.db2.gz JFKVOIDXJHAFTH-UHFFFAOYSA-N 0 1 382.869 3.547 20 5 GHBDMN Cc1[nH]c2c(cc(C)cc2CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)c1C ZINC000518904176 850328518 /nfs/dbraw/zinc/32/85/18/850328518.db2.gz YRXONVPTVPJTGC-UHFFFAOYSA-N 0 1 377.404 3.808 20 5 GHBDMN CCCc1[nH]nc(C(=O)N2CCc3cc(-c4ccccc4)oc3C2)c1[N+](=O)[O-] ZINC000473560858 850340261 /nfs/dbraw/zinc/34/02/61/850340261.db2.gz LWGRYYCELMOXKM-UHFFFAOYSA-N 0 1 380.404 3.729 20 5 GHBDMN CC(C)([C@@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)c1ccc(F)c(F)c1)N1CCCC1 ZINC000487088654 850419679 /nfs/dbraw/zinc/41/96/79/850419679.db2.gz UUZLETUXJQHYJK-KRWDZBQOSA-N 0 1 392.406 3.547 20 5 GHBDMN CC(C)[C@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])Cc1ccc(Cl)cc1Cl ZINC000487587172 850720226 /nfs/dbraw/zinc/72/02/26/850720226.db2.gz CGKOGJVPDAMYSN-NSHDSACASA-N 0 1 385.251 3.869 20 5 GHBDMN Cc1[nH]nc(C(=O)N2CCc3ccccc3[C@@H](c3ccccc3)[C@H]2C)c1[N+](=O)[O-] ZINC000435959091 851025097 /nfs/dbraw/zinc/02/50/97/851025097.db2.gz BRKWOECHQOQAEB-DNVCBOLYSA-N 0 1 390.443 3.845 20 5 GHBDMN COc1c(F)cc(S(=O)(=O)Nc2cccc3ccccc32)cc1[N+](=O)[O-] ZINC000488263024 851327550 /nfs/dbraw/zinc/32/75/50/851327550.db2.gz GZXZKTCWGOTMLQ-UHFFFAOYSA-N 0 1 376.365 3.697 20 5 GHBDMN CCCC[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000488725910 851715515 /nfs/dbraw/zinc/71/55/15/851715515.db2.gz NTZNOAQNHARJJC-MRXNPFEDSA-N 0 1 396.440 3.952 20 5 GHBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1ccc([C@@H]2CCCOC2)cc1 ZINC000506196356 852185944 /nfs/dbraw/zinc/18/59/44/852185944.db2.gz YBWGTTSOKPSNAW-MRXNPFEDSA-N 0 1 393.403 3.526 20 5 GHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC(Oc2ccccc2Cl)CC1 ZINC000507092056 852536276 /nfs/dbraw/zinc/53/62/76/852536276.db2.gz YICJWDQWDPPTCX-UHFFFAOYSA-N 0 1 376.796 3.637 20 5 GHBDMN Cc1sc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)nc1-c1c[nH]c2ncccc12 ZINC000507086312 852551843 /nfs/dbraw/zinc/55/18/43/852551843.db2.gz NNUHBBSDQBWUNU-UHFFFAOYSA-N 0 1 395.400 3.861 20 5 GHBDMN COc1ccc(NC(=O)[C@@H](C)N2CC[C@@H](c3ccccc3C)C2)c([N+](=O)[O-])c1 ZINC000507195659 852666583 /nfs/dbraw/zinc/66/65/83/852666583.db2.gz KELYCWGNDXLLJJ-HZPDHXFCSA-N 0 1 383.448 3.728 20 5 GHBDMN CC[C@@H](c1nnc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)s1)c1ccccc1 ZINC000506334563 852776163 /nfs/dbraw/zinc/77/61/63/852776163.db2.gz YUZQBRAFXYNBFU-OAHLLOKOSA-N 0 1 384.417 3.946 20 5 GHBDMN Cc1ccc([C@@H](CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)N2CCCC2)o1 ZINC000506388563 852940036 /nfs/dbraw/zinc/94/00/36/852940036.db2.gz ZDVLOSZQNIJVSG-LJQANCHMSA-N 0 1 398.463 3.637 20 5 GHBDMN Cc1ccc(C(=O)CCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1C ZINC000490371126 852970064 /nfs/dbraw/zinc/97/00/64/852970064.db2.gz QTDSNNSGNDPQGG-UHFFFAOYSA-N 0 1 393.403 3.598 20 5 GHBDMN Cc1ccc(S[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1 ZINC000490397796 852988808 /nfs/dbraw/zinc/98/88/08/852988808.db2.gz KUWZDAAEIZBXMZ-LBPRGKRZSA-N 0 1 383.433 3.808 20 5 GHBDMN O=C(N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000437528364 853230147 /nfs/dbraw/zinc/23/01/47/853230147.db2.gz NRURGJZKFLWYRU-YEORSEQZSA-N 0 1 380.322 3.995 20 5 GHBDMN O=C(NCC1(c2ccccc2Br)CC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000506484511 853293738 /nfs/dbraw/zinc/29/37/38/853293738.db2.gz FUNIRNXOVRMSAG-UHFFFAOYSA-N 0 1 391.221 3.525 20 5 GHBDMN CNc1ccc(C(=O)Nc2nc(-c3cccc4ccccc43)n[nH]2)cc1[N+](=O)[O-] ZINC000518509442 853443344 /nfs/dbraw/zinc/44/33/44/853443344.db2.gz QUEUSNGAFKGRET-UHFFFAOYSA-N 0 1 388.387 3.827 20 5 GHBDMN Cc1ccc([C@@H](C)NCc2cccc(NC(=O)Cn3cccn3)c2)cc1[N+](=O)[O-] ZINC000129583943 853881301 /nfs/dbraw/zinc/88/13/01/853881301.db2.gz FIYPYOLKTWYGNA-MRXNPFEDSA-N 0 1 393.447 3.589 20 5 GHBDMN CCCOc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)c(C)c1 ZINC000055687725 854054365 /nfs/dbraw/zinc/05/43/65/854054365.db2.gz LAFOXFNENFDULY-UHFFFAOYSA-N 0 1 380.422 3.501 20 5 GHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(OCC(F)F)cc2)c(Cl)c1 ZINC000481949068 862559221 /nfs/dbraw/zinc/55/92/21/862559221.db2.gz AMYCMANQNDITRM-UHFFFAOYSA-N 0 1 392.767 3.693 20 5 GHBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN(C)[C@@H]2CCCc3cc(OC)ccc32)c1 ZINC000589496480 854909249 /nfs/dbraw/zinc/90/92/49/854909249.db2.gz XGRYJGWTHWZMKU-HXUWFJFHSA-N 0 1 384.432 3.899 20 5 GHBDMN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](c1cccc(F)c1)N(C)C ZINC000057498194 855430173 /nfs/dbraw/zinc/43/01/73/855430173.db2.gz UKUBFRSJGDUANK-SCLBCKFNSA-N 0 1 391.468 3.634 20 5 GHBDMN Cc1cc(S(=O)(=O)Nc2cccc(Oc3ccncc3)c2)ccc1[N+](=O)[O-] ZINC000172184113 856364709 /nfs/dbraw/zinc/36/47/09/856364709.db2.gz OWWYJAVJQBRVAD-UHFFFAOYSA-N 0 1 385.401 3.891 20 5 GHBDMN COc1ccc(-c2ccc(CN3CC=C(c4ccnn4C)CC3)o2)c([N+](=O)[O-])c1 ZINC000554872719 856387928 /nfs/dbraw/zinc/38/79/28/856387928.db2.gz GEYNZOKTYZEULL-UHFFFAOYSA-N 0 1 394.431 3.886 20 5 GHBDMN CN(C)[C@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000184828459 856405620 /nfs/dbraw/zinc/40/56/20/856405620.db2.gz ZWQCUFXBNOLBOY-QGZVFWFLSA-N 0 1 395.381 3.575 20 5 GHBDMN CCOC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2C)c1 ZINC000427787831 856713429 /nfs/dbraw/zinc/71/34/29/856713429.db2.gz JSOQBTZCHSJMQS-UHFFFAOYSA-N 0 1 398.824 3.534 20 5 GHBDMN O=C(Nc1ccc2[nH]nnc2c1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000508014291 856801241 /nfs/dbraw/zinc/80/12/41/856801241.db2.gz MIQICZSGBLQMLF-UHFFFAOYSA-N 0 1 388.387 3.731 20 5 GHBDMN CCc1ccc([C@H](NCC(C)(C)[C@]2(O)CCOC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000592396794 856804766 /nfs/dbraw/zinc/80/47/66/856804766.db2.gz KOMYTYXRYFUTAB-CTNGQTDRSA-N 0 1 388.464 3.607 20 5 GHBDMN C[C@@H](NCc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000245472175 856892203 /nfs/dbraw/zinc/89/22/03/856892203.db2.gz YTPIOPITQILGAF-BRWVUGGUSA-N 0 1 397.475 3.695 20 5 GHBDMN CCCN(C(=O)c1cccc([N+](=O)[O-])c1N)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000485645296 856896309 /nfs/dbraw/zinc/89/63/09/856896309.db2.gz URECIAZZOMEQLL-GOSISDBHSA-N 0 1 396.491 3.694 20 5 GHBDMN CCC[C@H](Nc1cccc(CN2CCC[C@H]2C(N)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000245653789 857057740 /nfs/dbraw/zinc/05/77/40/857057740.db2.gz CHHRIEIGCYCGNB-SFTDATJTSA-N 0 1 396.491 3.998 20 5 GHBDMN Cc1c([C@H](C)Nc2cccc(CN3CCC[C@H]3C(N)=O)c2)cccc1[N+](=O)[O-] ZINC000245933210 857203418 /nfs/dbraw/zinc/20/34/18/857203418.db2.gz VZWCDXOSVLMSHS-YWZLYKJASA-N 0 1 382.464 3.526 20 5 GHBDMN C[C@H]1CCCC[N@H+]1Cc1ccc(CNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])cc1 ZINC000574086166 857217124 /nfs/dbraw/zinc/21/71/24/857217124.db2.gz ACTOFBUVEHEZGW-AWEZNQCLSA-N 0 1 384.436 3.675 20 5 GHBDMN COc1cc(CN2CCC(Cc3nc([C@@H]4C[C@@H]4C)no3)CC2)ccc1[N+](=O)[O-] ZINC000593076519 857338604 /nfs/dbraw/zinc/33/86/04/857338604.db2.gz KHNVCWSDMRQBJU-XJKSGUPXSA-N 0 1 386.452 3.565 20 5 GHBDMN Cc1c(CN2CCSCC2)cccc1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000520974777 857440163 /nfs/dbraw/zinc/44/01/63/857440163.db2.gz KBABTNTWRNLSEV-UHFFFAOYSA-N 0 1 389.452 3.843 20 5 GHBDMN COCCCCN(Cc1ccccc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000065165788 857459881 /nfs/dbraw/zinc/45/98/81/857459881.db2.gz SOBZMEAXRCEZEJ-UHFFFAOYSA-N 0 1 386.448 3.890 20 5 GHBDMN Cc1nn(C)c(NC[C@H]2CCCCN2Cc2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000521012448 857498825 /nfs/dbraw/zinc/49/88/25/857498825.db2.gz IEYJYMRMCBGESP-MRXNPFEDSA-N 0 1 377.876 3.757 20 5 GHBDMN CC1CCN(c2ccc(C(=O)Nc3ccc4nc[nH]c4c3)cc2[N+](=O)[O-])CC1 ZINC000521580350 858140838 /nfs/dbraw/zinc/14/08/38/858140838.db2.gz KUUMNSNYIHYYLL-UHFFFAOYSA-N 0 1 379.420 3.960 20 5 GHBDMN CCc1ccc([C@H](NCc2n[nH]c([C@@H]3CCCO3)n2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000594507527 858198102 /nfs/dbraw/zinc/19/81/02/858198102.db2.gz GJMJSBHXJQEBHA-PKOBYXMFSA-N 0 1 397.435 3.599 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@@H](Cc1nccn1C)c1ccccc1 ZINC000595016904 858351684 /nfs/dbraw/zinc/35/16/84/858351684.db2.gz AVAJUYBAKITJEH-BEFAXECRSA-N 0 1 380.448 3.972 20 5 GHBDMN Cc1cc(N2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000592971840 858456867 /nfs/dbraw/zinc/45/68/67/858456867.db2.gz JVESXIMMFCCGDI-CQSZACIVSA-N 0 1 387.411 3.624 20 5 GHBDMN C[C@@H]1CCCC[N@H+]1Cc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000575111637 858591392 /nfs/dbraw/zinc/59/13/92/858591392.db2.gz XLKVQPKTJZNMME-CYBMUJFWSA-N 0 1 395.506 3.832 20 5 GHBDMN CN(C)[C@@H](CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1ccsc1 ZINC000543255742 859045752 /nfs/dbraw/zinc/04/57/52/859045752.db2.gz AJQVMSVCHDISQZ-AWEZNQCLSA-N 0 1 399.925 3.821 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1CN[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000543635282 859140329 /nfs/dbraw/zinc/14/03/29/859140329.db2.gz OZRKPBYAYHWZBG-HKUYNNGSSA-N 0 1 391.830 3.757 20 5 GHBDMN O=[N+]([O-])c1ccc(CCN(CCO)Cc2cc(Br)ccc2F)cc1 ZINC000060377190 859166627 /nfs/dbraw/zinc/16/66/27/859166627.db2.gz PNKCNWFIDKDWQM-UHFFFAOYSA-N 0 1 397.244 3.533 20 5 GHBDMN CC(C)(C)N(CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1Br ZINC000474150417 859322446 /nfs/dbraw/zinc/32/24/46/859322446.db2.gz BTPVEDMMRYFMND-UHFFFAOYSA-N 0 1 381.274 3.855 20 5 GHBDMN O=C1CCCN1[C@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000483426761 859357416 /nfs/dbraw/zinc/35/74/16/859357416.db2.gz GBULTYXGIUSKKZ-AWEZNQCLSA-N 0 1 389.839 3.705 20 5 GHBDMN COc1cc(-c2nc(-c3cc4nc[nH]c4c(C)c3)no2)cc([N+](=O)[O-])c1OC ZINC000546443989 859486354 /nfs/dbraw/zinc/48/63/54/859486354.db2.gz QZSSXRRXXIBDSY-UHFFFAOYSA-N 0 1 381.348 3.514 20 5 GHBDMN CC(C)N1CCc2nc(CNCc3ccc([N+](=O)[O-])cc3Cl)sc2C1 ZINC000466453823 859579018 /nfs/dbraw/zinc/57/90/18/859579018.db2.gz HENBQCCCOMKNML-UHFFFAOYSA-N 0 1 380.901 3.761 20 5 GHBDMN CN(C)c1cccc([C@H]2CCCN2C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)c1 ZINC000117826214 859632730 /nfs/dbraw/zinc/63/27/30/859632730.db2.gz NQPTZPCUKMWUOY-GOSISDBHSA-N 0 1 379.420 3.514 20 5 GHBDMN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H]1COc2c1cccc2Cl ZINC000611336856 859712912 /nfs/dbraw/zinc/71/29/12/859712912.db2.gz SZTNSAQTCQZGIO-ZBEGNZNMSA-N 0 1 375.812 3.689 20 5 GHBDMN Cc1c(Br)c(NC[C@H](c2ccsc2)N(C)C)ncc1[N+](=O)[O-] ZINC000543448470 859752710 /nfs/dbraw/zinc/75/27/10/859752710.db2.gz HXWYTPZFFYLJMC-GFCCVEGCSA-N 0 1 385.287 3.837 20 5 GHBDMN COc1cc(COC(=O)c2[nH]c(-c3ccccc3)nc2C)c([N+](=O)[O-])cc1F ZINC000766187816 859951039 /nfs/dbraw/zinc/95/10/39/859951039.db2.gz OWJKFRIMOQWMAP-UHFFFAOYSA-N 0 1 385.351 3.798 20 5 GHBDMN CC(C)N(CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@H](C)c1ccccc1 ZINC000428885950 860209029 /nfs/dbraw/zinc/20/90/29/860209029.db2.gz YAPPCNUSQRSREI-CQSZACIVSA-N 0 1 385.420 3.734 20 5 GHBDMN Cc1cc([C@@H]2CCN(C(=O)c3n[nH]c(C(C)C)c3[N+](=O)[O-])C2)c(O)cc1Cl ZINC000598331151 860239633 /nfs/dbraw/zinc/23/96/33/860239633.db2.gz NWIYEXBVJJDVQN-LLVKDONJSA-N 0 1 392.843 3.738 20 5 GHBDMN Cc1cc([C@H]2CCN(C(=O)c3n[nH]c(C(C)C)c3[N+](=O)[O-])C2)c(O)cc1Cl ZINC000598331154 860239863 /nfs/dbraw/zinc/23/98/63/860239863.db2.gz NWIYEXBVJJDVQN-NSHDSACASA-N 0 1 392.843 3.738 20 5 GHBDMN O=C(N[C@@H]1CCCc2cn[nH]c21)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000484728613 860308423 /nfs/dbraw/zinc/30/84/23/860308423.db2.gz OKWPUBPXTNGTEX-QGZVFWFLSA-N 0 1 378.388 3.918 20 5 GHBDMN Cn1cc(CN[C@@H]2c3cccc(Br)c3CC2(C)C)c([N+](=O)[O-])n1 ZINC000602843295 860325002 /nfs/dbraw/zinc/32/50/02/860325002.db2.gz ZQQNBWYJFKLDBO-CQSZACIVSA-N 0 1 379.258 3.504 20 5 GHBDMN Cc1nc(CNC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)nc2ccccc12 ZINC000765637335 860371842 /nfs/dbraw/zinc/37/18/42/860371842.db2.gz CFZSHFMFMYRUHG-UHFFFAOYSA-N 0 1 377.448 3.605 20 5 GHBDMN COc1cccc([C@@H](CNC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)N(C)C)c1 ZINC000093907109 860372156 /nfs/dbraw/zinc/37/21/56/860372156.db2.gz NDCZTUWDCXOHFK-GOSISDBHSA-N 0 1 385.464 3.561 20 5 GHBDMN COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000093930805 860378153 /nfs/dbraw/zinc/37/81/53/860378153.db2.gz JYEKHFOGMKTFLE-UHFFFAOYSA-N 0 1 390.339 3.561 20 5 GHBDMN COC(=O)COc1ccc([C@@H](C)NCc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000185674786 860986331 /nfs/dbraw/zinc/98/63/31/860986331.db2.gz XZXGHKUFIJFSGQ-GFCCVEGCSA-N 0 1 378.812 3.651 20 5 GHBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)c1 ZINC000593733452 861081305 /nfs/dbraw/zinc/08/13/05/861081305.db2.gz ULWLVDCYHYPOJM-CQSZACIVSA-N 0 1 381.388 3.814 20 5 GHBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+](Cc2ccccc2)CC2CCOCC2)c1 ZINC000593736655 861109784 /nfs/dbraw/zinc/10/97/84/861109784.db2.gz QQBLGLOKOJYSCZ-UHFFFAOYSA-N 0 1 384.432 3.722 20 5 GHBDMN O=C([O-])CCC[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)Cc1ccccc1 ZINC000593751801 861169501 /nfs/dbraw/zinc/16/95/01/861169501.db2.gz JOJOBLRXHHJTLB-UHFFFAOYSA-N 0 1 396.403 3.512 20 5 GHBDMN O=C([O-])CCC[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)Cc1ccccc1 ZINC000593751801 861169505 /nfs/dbraw/zinc/16/95/05/861169505.db2.gz JOJOBLRXHHJTLB-UHFFFAOYSA-N 0 1 396.403 3.512 20 5 GHBDMN Cc1cc(Br)cc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2C)c1 ZINC000444053665 863224314 /nfs/dbraw/zinc/22/43/14/863224314.db2.gz CCJQURYAYCHWCW-UHFFFAOYSA-N 0 1 385.239 3.775 20 5 GHBDMN O=C(Nc1ccc2nc(C3CCC3)[nH]c2c1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000522856023 863579523 /nfs/dbraw/zinc/57/95/23/863579523.db2.gz YPFYQSIVBKNDJN-UHFFFAOYSA-N 0 1 380.360 3.720 20 5 GHBDMN C[C@H](NCc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000173351540 881719055 /nfs/dbraw/zinc/71/90/55/881719055.db2.gz YTPIOPITQILGAF-BBWFWOEESA-N 0 1 397.475 3.695 20 5 GHBDMN C[C@@H](N[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)c1nccn1-c1ccccc1 ZINC000554375374 864233714 /nfs/dbraw/zinc/23/37/14/864233714.db2.gz MDWJSWMBCBWNTK-JKSUJKDBSA-N 0 1 393.447 3.848 20 5 GHBDMN CCc1ccc([C@@H](COC)NCCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)o1 ZINC000184798196 864946898 /nfs/dbraw/zinc/94/68/98/864946898.db2.gz PMJGGJIWISDPMV-QGZVFWFLSA-N 0 1 385.420 3.925 20 5 GHBDMN Cc1ccc(CN2CC[C@@H](NCc3ccc(C(C)C)c([N+](=O)[O-])c3)C2=O)cc1 ZINC000480900812 865462748 /nfs/dbraw/zinc/46/27/48/865462748.db2.gz AQBDYWOVAUEBHC-HXUWFJFHSA-N 0 1 381.476 3.917 20 5 GHBDMN CCc1[nH]nc(C(=O)N(CCc2ccc(Cl)cc2)CC2CC2)c1[N+](=O)[O-] ZINC000192586682 881916790 /nfs/dbraw/zinc/91/67/90/881916790.db2.gz WUGOYZLLZIDMOG-UHFFFAOYSA-N 0 1 376.844 3.629 20 5 GHBDMN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000741156896 866271758 /nfs/dbraw/zinc/27/17/58/866271758.db2.gz KKAXSJPMJPGEPP-CYBMUJFWSA-N 0 1 383.876 3.937 20 5 GHBDMN Cc1c(COC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)cccc1[N+](=O)[O-] ZINC000741328338 866413186 /nfs/dbraw/zinc/41/31/86/866413186.db2.gz KWOPCAPSPWBLLT-QGZVFWFLSA-N 0 1 386.423 3.998 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2cnn(CN3CC[C@H](COCc4ccccc4)C3)c2)cc1 ZINC000742177416 867137527 /nfs/dbraw/zinc/13/75/27/867137527.db2.gz FSVSAFMPGNEPLO-IBGZPJMESA-N 0 1 392.459 3.955 20 5 GHBDMN CS[C@@H]1CCC[C@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000462336648 869270415 /nfs/dbraw/zinc/27/04/15/869270415.db2.gz BCXKZDHSESUDOF-VHSXEESVSA-N 0 1 399.321 3.854 20 5 GHBDMN Cc1cc(Cl)ccc1S(=O)(=O)Nc1ccc([N+](=O)[O-])c2ncccc12 ZINC000462361300 869308978 /nfs/dbraw/zinc/30/89/78/869308978.db2.gz SFFLKBNJWZGESQ-UHFFFAOYSA-N 0 1 377.809 3.906 20 5 GHBDMN Cc1ccc(Br)cc1NC(=O)CNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000749262964 869477928 /nfs/dbraw/zinc/47/79/28/869477928.db2.gz AZUPIKKBOPNGAG-UHFFFAOYSA-N 0 1 392.253 3.702 20 5 GHBDMN CCCc1[nH]nc(C(=O)N2CCn3c(cc4c3cccc4Cl)C2)c1[N+](=O)[O-] ZINC000446511334 869963728 /nfs/dbraw/zinc/96/37/28/869963728.db2.gz UEQXRQXHXQUYCY-UHFFFAOYSA-N 0 1 387.827 3.535 20 5 GHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)cc1 ZINC000121671801 870090700 /nfs/dbraw/zinc/09/07/00/870090700.db2.gz FMECLMQUSFQMHQ-UHFFFAOYSA-N 0 1 389.364 3.722 20 5 GHBDMN COC(=O)[C@@H]1CCCC[C@]1(C)NCc1cccc([N+](=O)[O-])c1Br ZINC001193032016 870855854 /nfs/dbraw/zinc/85/58/54/870855854.db2.gz ASHMHAIIUMZNCK-LRDDRELGSA-N 0 1 385.258 3.569 20 5 GHBDMN C[C@@H](N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccccc1OC(F)F ZINC000540344658 871073413 /nfs/dbraw/zinc/07/34/13/871073413.db2.gz DAEJSODNOVYZKQ-WBMJQRKESA-N 0 1 391.374 3.652 20 5 GHBDMN Cc1cc(N2CCn3c(nnc3-c3ccccc3)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000181517015 871126245 /nfs/dbraw/zinc/12/62/45/871126245.db2.gz ISENAGPMVGPXKX-UHFFFAOYSA-N 0 1 386.415 3.730 20 5 GHBDMN CCSc1ccc([C@@H](C)NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cc1 ZINC000540403133 871186187 /nfs/dbraw/zinc/18/61/87/871186187.db2.gz MTSHPEMQAMHVRZ-CQSZACIVSA-N 0 1 385.489 3.947 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCC(C1CC1)C1CC1 ZINC000525701541 871232603 /nfs/dbraw/zinc/23/26/03/871232603.db2.gz NBSFURFSAOWERF-UHFFFAOYSA-N 0 1 379.265 3.616 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000539068145 871249765 /nfs/dbraw/zinc/24/97/65/871249765.db2.gz YLKAFEJOAFUNTA-CYBMUJFWSA-N 0 1 382.869 3.681 20 5 GHBDMN COc1ccc(Cl)cc1NC(=O)CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181822700 871505395 /nfs/dbraw/zinc/50/53/95/871505395.db2.gz FHWSWVAXUBIWGI-GFCCVEGCSA-N 0 1 377.828 3.855 20 5 GHBDMN COc1ccc(CNCc2ccc([N+](=O)[O-])cc2)cc1OCc1cccnc1 ZINC000069784217 871506916 /nfs/dbraw/zinc/50/69/16/871506916.db2.gz UNBCAZLJLMSPRY-UHFFFAOYSA-N 0 1 379.416 3.867 20 5 GHBDMN COc1cc(CNc2nnc(CCCc3cccs3)o2)cc([N+](=O)[O-])c1O ZINC000181828705 871525520 /nfs/dbraw/zinc/52/55/20/871525520.db2.gz REISLVQGOFQCEU-UHFFFAOYSA-N 0 1 390.421 3.541 20 5 GHBDMN C[C@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001169527461 871607647 /nfs/dbraw/zinc/60/76/47/871607647.db2.gz MPJAWIFPZASCTR-LIRRHRJNSA-N 0 1 387.867 3.889 20 5 GHBDMN O=C1[C@H](N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCN1CCCc1ccccc1 ZINC000447583803 871883730 /nfs/dbraw/zinc/88/37/30/871883730.db2.gz CNMZABRRACCFFE-FGZHOGPDSA-N 0 1 393.487 3.796 20 5 GHBDMN CCOc1cc(N2CCN(Cc3cccc4ncccc34)CC2)ccc1[N+](=O)[O-] ZINC001169908187 872003864 /nfs/dbraw/zinc/00/38/64/872003864.db2.gz MZZBSBZDVSMLMY-UHFFFAOYSA-N 0 1 392.459 3.864 20 5 GHBDMN Cc1nc(C(C)C)sc1[C@H](C)N(C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182258048 872092320 /nfs/dbraw/zinc/09/23/20/872092320.db2.gz MELYQINZJFDECE-GJZGRUSLSA-N 0 1 393.509 3.916 20 5 GHBDMN Cc1cc(C[C@H](C)Nc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])[nH]n1 ZINC000447692019 872127193 /nfs/dbraw/zinc/12/71/93/872127193.db2.gz XWWRRYITCCPBLU-ZETCQYMHSA-N 0 1 379.289 3.719 20 5 GHBDMN COc1cc(CN(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)ccc1[N+](=O)[O-] ZINC000540902114 872439025 /nfs/dbraw/zinc/43/90/25/872439025.db2.gz YHEIIHFGOMWUGE-UHFFFAOYSA-N 0 1 395.459 3.660 20 5 GHBDMN C[C@](CO)(NCCC(=O)Nc1cccc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC001196906741 873473388 /nfs/dbraw/zinc/47/33/88/873473388.db2.gz FKXJRCUILVXOGH-JOCHJYFZSA-N 0 1 393.443 3.574 20 5 GHBDMN CCc1[nH]nc(C(=O)N2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)c1[N+](=O)[O-] ZINC000768736208 873543042 /nfs/dbraw/zinc/54/30/42/873543042.db2.gz SWVKPCLKUPKQJU-NSHDSACASA-N 0 1 382.342 3.529 20 5 GHBDMN CCC[N@@H+](Cc1cc([O-])ccc1[N+](=O)[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000768911824 873680457 /nfs/dbraw/zinc/68/04/57/873680457.db2.gz CYBGFASCCQGQJZ-UHFFFAOYSA-N 0 1 393.484 3.912 20 5 GHBDMN COc1ccc(NC(=O)[C@H](C)N[C@H](C)c2ccc(F)cc2C)c([N+](=O)[O-])c1 ZINC001197611688 873912660 /nfs/dbraw/zinc/91/26/60/873912660.db2.gz SNOBYRYBWSSRHS-OLZOCXBDSA-N 0 1 375.400 3.729 20 5 GHBDMN O=C1CCCCN1[C@H]1CCCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000769342367 873985420 /nfs/dbraw/zinc/98/54/20/873985420.db2.gz LOXWBRYRSSNBPR-INIZCTEOSA-N 0 1 383.448 3.832 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCO[C@H](CCc2ccccc2)C1 ZINC000541703436 874144041 /nfs/dbraw/zinc/14/40/41/874144041.db2.gz HLLPTUHDTJNATQ-HXUWFJFHSA-N 0 1 397.475 3.565 20 5 GHBDMN COC(=O)COc1ccc(CN2CCC[C@H]2c2ccc(C)s2)cc1[N+](=O)[O-] ZINC000475721348 882812982 /nfs/dbraw/zinc/81/29/82/882812982.db2.gz CVVNUCAJUXIEOG-HNNXBMFYSA-N 0 1 390.461 3.854 20 5 GHBDMN COc1cc(CN2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)c([N+](=O)[O-])cc1F ZINC000464689359 874321243 /nfs/dbraw/zinc/32/12/43/874321243.db2.gz NGQGRYMXAQIHIZ-INIZCTEOSA-N 0 1 397.410 3.865 20 5 GHBDMN COc1cc(CN2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)c([N+](=O)[O-])cc1F ZINC000464689359 874321251 /nfs/dbraw/zinc/32/12/51/874321251.db2.gz NGQGRYMXAQIHIZ-INIZCTEOSA-N 0 1 397.410 3.865 20 5 GHBDMN C[C@H](NCC(=O)Nc1cccc(Br)c1)c1ccc([N+](=O)[O-])cc1 ZINC000541846885 874371882 /nfs/dbraw/zinc/37/18/82/874371882.db2.gz HDLXLABTCQDXMT-NSHDSACASA-N 0 1 378.226 3.647 20 5 GHBDMN CN(C)[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1)c1cccc(F)c1 ZINC000770021215 874410340 /nfs/dbraw/zinc/41/03/40/874410340.db2.gz UZRWEAPPGVRSOI-INIZCTEOSA-N 0 1 380.807 3.812 20 5 GHBDMN COc1ccc(-c2n[nH]c(Sc3nc(C)cc(C)c3[N+](=O)[O-])n2)c(OC)c1 ZINC000541932896 874582957 /nfs/dbraw/zinc/58/29/57/874582957.db2.gz YMNQBYICGHHWTH-UHFFFAOYSA-N 0 1 387.421 3.560 20 5 GHBDMN Cc1ccc([C@H](C)N[C@H](Cc2ccc(C(F)(F)F)cc2)C(N)=O)cc1[N+](=O)[O-] ZINC000542233122 875188645 /nfs/dbraw/zinc/18/86/45/875188645.db2.gz GCXRZEXFJJOIKH-BLLLJJGKSA-N 0 1 395.381 3.669 20 5 GHBDMN C[C@@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])c1cccc(Cl)c1Cl ZINC000542260049 875267682 /nfs/dbraw/zinc/26/76/82/875267682.db2.gz VKYFGNOPVPLSMD-NEPJUHHUSA-N 0 1 385.247 3.992 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(F)cc1Br ZINC000129923706 876010430 /nfs/dbraw/zinc/01/04/30/876010430.db2.gz SBEGJXWVKWZGRH-UHFFFAOYSA-N 0 1 389.202 3.606 20 5 GHBDMN O=C(Nc1nnc(Cc2ccc(F)cc2)s1)c1cc(F)ccc1[N+](=O)[O-] ZINC000106702899 876238707 /nfs/dbraw/zinc/23/87/07/876238707.db2.gz SDCMBGBSIIMPNH-UHFFFAOYSA-N 0 1 376.344 3.568 20 5 GHBDMN COc1cc(C=C(Cl)c2nc3c(C)cccc3c(=O)[nH]2)cc([N+](=O)[O-])c1O ZINC000007136797 876539768 /nfs/dbraw/zinc/53/97/68/876539768.db2.gz AHBALNZIAGDSHT-SDQBBNPISA-N 0 1 387.779 3.591 20 5 GHBDMN O=C(NC[C@H]1CCN1C1CCCCC1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000529720660 876596408 /nfs/dbraw/zinc/59/64/08/876596408.db2.gz VOBGZOVFTVDDOX-QGZVFWFLSA-N 0 1 389.499 3.818 20 5 GHBDMN Cc1n[nH]c(C(C)C)c1C(=O)O[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000786338670 876636845 /nfs/dbraw/zinc/63/68/45/876636845.db2.gz CPBKPEQZUFUNPP-NSHDSACASA-N 0 1 385.380 3.718 20 5 GHBDMN CC[C@@H](CS(=O)(=O)c1ccccc1)N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193045754 876778722 /nfs/dbraw/zinc/77/87/22/876778722.db2.gz MSOUXTJJIFIQCX-OXJNMPFZSA-N 0 1 388.489 3.814 20 5 GHBDMN O=[N+]([O-])c1cccc([C@@H](NCC[S@@](=O)CC(F)(F)F)c2ccccc2)c1 ZINC000850496863 876972670 /nfs/dbraw/zinc/97/26/70/876972670.db2.gz QPSIGMOLTUJFPL-YHAMSUFESA-N 0 1 386.395 3.585 20 5 GHBDMN C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000746696890 877487173 /nfs/dbraw/zinc/48/71/73/877487173.db2.gz AVLNBZFJULENAD-OAHLLOKOSA-N 0 1 387.867 3.985 20 5 GHBDMN O=C(Nc1ccc2nc(-c3ccco3)[nH]c2c1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000487648739 877647975 /nfs/dbraw/zinc/64/79/75/877647975.db2.gz YNSFSMKUAUZYNA-UHFFFAOYSA-N 0 1 392.327 3.712 20 5 GHBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@H](CO)[C@H]2CC)cc1OC ZINC000451250268 877661900 /nfs/dbraw/zinc/66/19/00/877661900.db2.gz DDWRMGWYBONIJO-ZMSDIMECSA-N 0 1 380.485 3.621 20 5 GHBDMN O=C(N[C@H]1CCc2nc(C3CCCCC3)[nH]c2C1)c1ccc([N+](=O)[O-])cc1F ZINC000788240797 877939315 /nfs/dbraw/zinc/93/93/15/877939315.db2.gz FAUPFSWGXRSVKL-ZDUSSCGKSA-N 0 1 386.427 3.792 20 5 GHBDMN CC(C)(C)OC(=O)NCC[C@@H]1CCCN(Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000852011993 878030315 /nfs/dbraw/zinc/03/03/15/878030315.db2.gz BWISHKXFDVJWHR-AWEZNQCLSA-N 0 1 381.448 3.861 20 5 GHBDMN CN1CCC[C@@H](NCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1=O ZINC000530644178 878232516 /nfs/dbraw/zinc/23/25/16/878232516.db2.gz KZGHNYKBFHHSGD-OAHLLOKOSA-N 0 1 389.839 3.751 20 5 GHBDMN O=C1C[C@@H](NCc2cccc([N+](=O)[O-])c2)CN1c1cccc(C(F)(F)F)c1 ZINC000530729955 878362512 /nfs/dbraw/zinc/36/25/12/878362512.db2.gz UMBDQLHEOIZXJP-CQSZACIVSA-N 0 1 379.338 3.509 20 5 GHBDMN Cc1cc([N+](=O)[O-])c(C)cc1NS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000788845854 878380806 /nfs/dbraw/zinc/38/08/06/878380806.db2.gz GXRJVUVVEWIIRU-UHFFFAOYSA-N 0 1 399.812 3.882 20 5 GHBDMN Cc1ccc([N+](=O)[O-])c(C)c1NS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000180159479 878577749 /nfs/dbraw/zinc/57/77/49/878577749.db2.gz KFDLMYWAZDJGQL-UHFFFAOYSA-N 0 1 399.812 3.882 20 5 GHBDMN COc1ccccc1C[C@@H]1CCCN1Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853492225 879059952 /nfs/dbraw/zinc/05/99/52/879059952.db2.gz IIAYAXSKMYCYJA-KRWDZBQOSA-N 0 1 393.447 3.527 20 5 GHBDMN CN(C)[C@@H]1CCOc2c(NC(=O)c3ccc([N+](=O)[O-])c(Cl)c3)cccc21 ZINC000790239640 879541635 /nfs/dbraw/zinc/54/16/35/879541635.db2.gz UOYITYOWUFDITB-OAHLLOKOSA-N 0 1 375.812 3.886 20 5 GHBDMN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000494048581 879852784 /nfs/dbraw/zinc/85/27/84/879852784.db2.gz LGTKWZSBOMRSGP-GQIGUUNPSA-N 0 1 399.516 3.855 20 5 GHBDMN CC(C)(C)[C@@H](NCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1ccc(F)cc1 ZINC000919942095 881220349 /nfs/dbraw/zinc/22/03/49/881220349.db2.gz QJKYUIFCZIKTGF-KRWDZBQOSA-N 0 1 385.395 3.664 20 5 GHBDMN CSc1ccc([N+](=O)[O-])c(C(=O)NCc2nc3ccc(Cl)cc3[nH]2)c1 ZINC000609489635 883253342 /nfs/dbraw/zinc/25/33/42/883253342.db2.gz YQQJXKJDSSVPAJ-UHFFFAOYSA-N 0 1 376.825 3.776 20 5 GHBDMN CSc1ccc([N+](=O)[O-])c(C(=O)NCCN2CC=C(C(C)(C)C)CC2)c1 ZINC000476930163 883384340 /nfs/dbraw/zinc/38/43/40/883384340.db2.gz GIUMXASISGJHJC-UHFFFAOYSA-N 0 1 377.510 3.725 20 5 GHBDMN O=C1CCCN1C[C@@H](N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000192684722 883576030 /nfs/dbraw/zinc/57/60/30/883576030.db2.gz RITDCJDAMJJNGM-NHCUHLMSSA-N 0 1 379.460 3.926 20 5 GHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000475787417 883815084 /nfs/dbraw/zinc/81/50/84/883815084.db2.gz GIJFRJHLAILQHG-MRXNPFEDSA-N 0 1 391.387 3.980 20 5 GHBDMN CN(C)C(=O)Sc1cc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)ccc1Cl ZINC000805441468 883823277 /nfs/dbraw/zinc/82/32/77/883823277.db2.gz PPAJHCWAWGPKKG-UHFFFAOYSA-N 0 1 395.824 3.980 20 5 GHBDMN COC[C@@H](N[C@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1)C(C)C ZINC000542520848 884148127 /nfs/dbraw/zinc/14/81/27/884148127.db2.gz HRKMMXUTJOQOOF-QUCCMNQESA-N 0 1 385.464 3.844 20 5 GHBDMN COc1ccc(NC(=O)[C@H](C)N2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000859930035 884180068 /nfs/dbraw/zinc/18/00/68/884180068.db2.gz PDMQALXFAOPVGD-OYSPMZIOSA-N 0 1 395.459 3.666 20 5 GHBDMN C[C@]12CCCN1C[C@H](c1noc(-c3cc([N+](=O)[O-])ccc3C(F)(F)F)n1)OC2 ZINC000556341513 884501295 /nfs/dbraw/zinc/50/12/95/884501295.db2.gz UNWZHBXQAXKJRT-CZUORRHYSA-N 0 1 398.341 3.589 20 5 GHBDMN COc1c(O)ccc(CN2CCC[C@@H](Cc3nc(C)cs3)C2)c1[N+](=O)[O-] ZINC001183855617 912858565 /nfs/dbraw/zinc/85/85/65/912858565.db2.gz RDCYJLOBYKCODQ-ZDUSSCGKSA-N 0 1 377.466 3.529 20 5 GHBDMN Cc1c(Br)cc(-c2nc(=O)c3cc4ccccc4cc3[nH]2)c(=O)n1C ZINC000556415463 884831837 /nfs/dbraw/zinc/83/18/37/884831837.db2.gz HVCIZDZFUYSAOZ-UHFFFAOYSA-N 0 1 396.244 3.925 20 5 GHBDMN C[C@H](NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2n1C(F)F ZINC000914795407 884832577 /nfs/dbraw/zinc/83/25/77/884832577.db2.gz PWYRLJPSPOMCAW-ZBEGNZNMSA-N 0 1 376.363 3.724 20 5 GHBDMN O=[N+]([O-])c1cc(F)cc(NS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c1 ZINC000475841945 885235378 /nfs/dbraw/zinc/23/53/78/885235378.db2.gz XZLISTIZSVJQAY-UHFFFAOYSA-N 0 1 382.266 3.693 20 5 GHBDMN CC(C)(C)N1CC[C@](F)(C(=O)O[C@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)C1 ZINC000861444730 885510302 /nfs/dbraw/zinc/51/03/02/885510302.db2.gz BVIUVJWHGRKYDM-CZUORRHYSA-N 0 1 392.349 3.954 20 5 GHBDMN O=C(Nc1nc(-c2cccs2)n[nH]1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000747401679 885523021 /nfs/dbraw/zinc/52/30/21/885523021.db2.gz AYVLEVMWHDLEOZ-UHFFFAOYSA-N 0 1 383.311 3.713 20 5 GHBDMN COc1c(C(=O)N2CCC[C@@H](c3nc4ccc(C)cc4[nH]3)C2)cccc1[N+](=O)[O-] ZINC000476432071 885786105 /nfs/dbraw/zinc/78/61/05/885786105.db2.gz KTMCLVASBNILPG-CQSZACIVSA-N 0 1 394.431 3.808 20 5 GHBDMN O=C(Nc1ccc(Oc2nncc3ccccc32)c(Cl)c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001127350278 886113775 /nfs/dbraw/zinc/11/37/75/886113775.db2.gz WVLXCEVOOUOFPE-UKRRQHHQSA-N 0 1 384.779 3.679 20 5 GHBDMN Cc1sc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2F)cc1[N+](=O)[O-] ZINC000119128709 886479855 /nfs/dbraw/zinc/47/98/55/886479855.db2.gz LHMRTXWQPAZWMN-UHFFFAOYSA-N 0 1 384.332 3.923 20 5 GHBDMN Cn1ccnc1[C@H](NCC1(C)Cc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000556886917 886482545 /nfs/dbraw/zinc/48/25/45/886482545.db2.gz QHQFUIGOPCAHKC-HXUWFJFHSA-N 0 1 376.460 3.812 20 5 GHBDMN CCN(CC)[C@H](CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000272541951 887657995 /nfs/dbraw/zinc/65/79/95/887657995.db2.gz PDVBSWNWLVLKFJ-QUCCMNQESA-N 0 1 397.479 3.683 20 5 GHBDMN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H](CN(C)C)c2ccc(Cl)c(Cl)c2)n1 ZINC001131953074 887997036 /nfs/dbraw/zinc/99/70/36/887997036.db2.gz FMSGYYUVCIFBSD-INIZCTEOSA-N 0 1 397.262 3.638 20 5 GHBDMN COc1ccc2c(c1)C1(CC1)CN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C2 ZINC000810097286 888164038 /nfs/dbraw/zinc/16/40/38/888164038.db2.gz GKCKIXABVICQJP-UHFFFAOYSA-N 0 1 399.422 3.619 20 5 GHBDMN CCN(C(=O)c1n[nH]c(C)c1[N+](=O)[O-])[C@H](c1ccc(C)cc1)c1cccnc1 ZINC000496534441 888879858 /nfs/dbraw/zinc/87/98/58/888879858.db2.gz KAZVVGGTQBZJQY-LJQANCHMSA-N 0 1 379.420 3.581 20 5 GHBDMN O=[N+]([O-])c1cccc([C@@H](NC[C@@H]2CC3(CO2)CCOCC3)c2ccccc2)c1 ZINC000866532222 888921210 /nfs/dbraw/zinc/92/12/10/888921210.db2.gz LMBYOMJXNYVMJK-SFTDATJTSA-N 0 1 382.460 3.860 20 5 GHBDMN O=C(CN(Cc1ccc2c(c1)CCO2)C1CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000532953093 889368805 /nfs/dbraw/zinc/36/88/05/889368805.db2.gz CTOKWLCVUZHSJR-UHFFFAOYSA-N 0 1 395.459 3.913 20 5 GHBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000811448967 889607207 /nfs/dbraw/zinc/60/72/07/889607207.db2.gz GLJFGEPSUXKWCG-IBGZPJMESA-N 0 1 382.432 3.638 20 5 GHBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC(c3ccc(N(C)C)cc3)CC2)c1 ZINC000811491525 889643215 /nfs/dbraw/zinc/64/32/15/889643215.db2.gz LHAXLUVVXIZSJT-UHFFFAOYSA-N 0 1 397.475 3.827 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2cnn(CN3CC[C@]4(C3)CCc3ccccc3O4)c2)c1 ZINC000811782070 889957509 /nfs/dbraw/zinc/95/75/09/889957509.db2.gz MGIWNKYFANHUHW-QFIPXVFZSA-N 0 1 390.443 3.886 20 5 GHBDMN CCC(=O)c1ccc(N2CCC(CCCN3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000795127804 890398338 /nfs/dbraw/zinc/39/83/38/890398338.db2.gz SFJUGJVVCBPLKI-UHFFFAOYSA-N 0 1 389.496 3.516 20 5 GHBDMN CCC(=O)c1ccc(N(CCN(C)C)Cc2cccc(OC)c2)c([N+](=O)[O-])c1 ZINC000795176883 890837711 /nfs/dbraw/zinc/83/77/11/890837711.db2.gz WFMAAVQWVFMDJO-UHFFFAOYSA-N 0 1 385.464 3.764 20 5 GHBDMN CC1CCN(CCNc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000917067944 890957301 /nfs/dbraw/zinc/95/73/01/890957301.db2.gz COXJQOFQWRFQHU-UHFFFAOYSA-N 0 1 376.335 3.666 20 5 GHBDMN C[C@@H]1CCCCN1CCNc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000917069451 890990457 /nfs/dbraw/zinc/99/04/57/890990457.db2.gz YJKSQYUNRFBJGY-SNVBAGLBSA-N 0 1 376.335 3.808 20 5 GHBDMN CC[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1nc(-c2ccccc2)c[nH]1 ZINC000067684209 891655406 /nfs/dbraw/zinc/65/54/06/891655406.db2.gz HYSVKQGUZBDSTM-OAHLLOKOSA-N 0 1 390.403 3.742 20 5 GHBDMN O=[N+]([O-])c1ccccc1CNCCOc1ncc(C(F)(F)F)cc1Cl ZINC000237855045 892430720 /nfs/dbraw/zinc/43/07/20/892430720.db2.gz NGVQADJWDCQJDL-UHFFFAOYSA-N 0 1 375.734 3.831 20 5 GHBDMN O=C(Nc1cc(Cl)ccc1OC[C@H]1CCOC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000428590061 892628480 /nfs/dbraw/zinc/62/84/80/892628480.db2.gz YSSCSGRYXGFYMQ-NSHDSACASA-N 0 1 392.795 3.621 20 5 GHBDMN CCOC(=O)c1cccc2nc(NC(=O)C(C)(C)c3ccccc3[N+](=O)[O-])[nH]c21 ZINC001134753238 893289244 /nfs/dbraw/zinc/28/92/44/893289244.db2.gz IBDVZMNXHRDUNX-UHFFFAOYSA-N 0 1 396.403 3.564 20 5 GHBDMN CC[C@H](NC1CC(n2cc([N+](=O)[O-])cn2)C1)c1nc(C(F)(F)F)cs1 ZINC000877069064 893466649 /nfs/dbraw/zinc/46/66/49/893466649.db2.gz WTUUFDRYIZBPIO-AMUVOQDHSA-N 0 1 375.376 3.711 20 5 GHBDMN C[N@H+](Cc1ccc(OCC(=O)[O-])cc1)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000563289751 893568532 /nfs/dbraw/zinc/56/85/32/893568532.db2.gz WFYLIJYFPMRJBN-UHFFFAOYSA-N 0 1 398.337 3.709 20 5 GHBDMN C[N@@H+](Cc1ccc(OCC(=O)[O-])cc1)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000563289751 893568539 /nfs/dbraw/zinc/56/85/39/893568539.db2.gz WFYLIJYFPMRJBN-UHFFFAOYSA-N 0 1 398.337 3.709 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(C[N@H+]2CC[C@@H](Cc3ccncc3)C2)o1 ZINC000878399561 894259867 /nfs/dbraw/zinc/25/98/67/894259867.db2.gz VOZNGEVFZMFGJK-AWEZNQCLSA-N 0 1 399.838 3.758 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(CN2CC[C@@H](Cc3ccncc3)C2)o1 ZINC000878399561 894259884 /nfs/dbraw/zinc/25/98/84/894259884.db2.gz VOZNGEVFZMFGJK-AWEZNQCLSA-N 0 1 399.838 3.758 20 5 GHBDMN CCOc1cc(N[C@H](C)CN2CCN(c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC001185466913 913890364 /nfs/dbraw/zinc/89/03/64/913890364.db2.gz MWYBEFMZVOAAID-QGZVFWFLSA-N 0 1 384.480 3.616 20 5 GHBDMN C[C@@](O)(CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(F)(F)F ZINC000537328171 894780401 /nfs/dbraw/zinc/78/04/01/894780401.db2.gz ZVRGBBOQKNEEDX-CQSZACIVSA-N 0 1 378.734 3.911 20 5 GHBDMN C[C@H]1CCc2nc(NC(=O)c3cc(-c4ccc([N+](=O)[O-])cc4)n[nH]3)sc2C1 ZINC001135683902 895049199 /nfs/dbraw/zinc/04/91/99/895049199.db2.gz MEKJLCLTKIUNNK-JTQLQIEISA-N 0 1 383.433 3.819 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CC[C@@]4(CCc5ccccc54)C3)o2)cc1 ZINC000879994883 895437460 /nfs/dbraw/zinc/43/74/60/895437460.db2.gz PFXFFJHJENOOPL-NRFANRHFSA-N 0 1 376.416 3.735 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2nnc(CN3CC[C@@]4(CCc5ccccc54)C3)o2)cc1 ZINC000879994883 895437464 /nfs/dbraw/zinc/43/74/64/895437464.db2.gz PFXFFJHJENOOPL-NRFANRHFSA-N 0 1 376.416 3.735 20 5 GHBDMN Cc1ccc(CN[C@H]2CCc3c2cccc3[N+](=O)[O-])c(-n2cc(Cl)cn2)n1 ZINC000565219222 895466291 /nfs/dbraw/zinc/46/62/91/895466291.db2.gz VQRXADKFKQONLW-KRWDZBQOSA-N 0 1 383.839 3.914 20 5 GHBDMN CC(C)(C)N1CCc2nc(NC(=O)c3cc(F)ccc3[N+](=O)[O-])sc2C1 ZINC000819677544 896897040 /nfs/dbraw/zinc/89/70/40/896897040.db2.gz ALFQZBQKIMPUAN-UHFFFAOYSA-N 0 1 378.429 3.599 20 5 GHBDMN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000567451055 897168418 /nfs/dbraw/zinc/16/84/18/897168418.db2.gz LUDFJIAJHSFRIO-LLVKDONJSA-N 0 1 393.875 3.728 20 5 GHBDMN CN1CC[C@@H](NCc2nc3cc([N+](=O)[O-])ccc3o2)[C@H]1c1ccc(F)c(F)c1 ZINC000289410288 914175037 /nfs/dbraw/zinc/17/50/37/914175037.db2.gz PFSWJJQFGNQGOK-DNVCBOLYSA-N 0 1 388.374 3.549 20 5 GHBDMN C[C@H](C[N@@H+](C)Cc1ccc(Br)c([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC001170959996 897800610 /nfs/dbraw/zinc/80/06/10/897800610.db2.gz SPHGBYWXCMAPLO-LLVKDONJSA-N 0 1 387.274 3.767 20 5 GHBDMN CCc1nc2c(s1)[C@@H](N(C)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])CCC2 ZINC000331428955 898883403 /nfs/dbraw/zinc/88/34/03/898883403.db2.gz ITMPWTACUUZDOT-NSHDSACASA-N 0 1 377.470 3.610 20 5 GHBDMN CC(C)c1ccc(CN2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000824827953 899850727 /nfs/dbraw/zinc/85/07/27/899850727.db2.gz JYHQZTOBPTVJHX-GJZGRUSLSA-N 0 1 399.413 3.561 20 5 GHBDMN Cc1cc(N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000576230169 901845144 /nfs/dbraw/zinc/84/51/44/901845144.db2.gz RJMZYXRMTFGELE-UHFFFAOYSA-N 0 1 383.448 3.702 20 5 GHBDMN Cc1ccc(CNCc2cc(I)cc([N+](=O)[O-])c2)cc1 ZINC000576387827 901991569 /nfs/dbraw/zinc/99/15/69/901991569.db2.gz HCWYACQVDLZBQY-UHFFFAOYSA-N 0 1 382.201 3.798 20 5 GHBDMN CC[C@H](N[C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000124098563 902024700 /nfs/dbraw/zinc/02/47/00/902024700.db2.gz LQFJDHRVHNFUMI-SJCJKPOMSA-N 0 1 380.441 3.939 20 5 GHBDMN COc1cc(CN2CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000778951296 902161181 /nfs/dbraw/zinc/16/11/81/902161181.db2.gz JOZXJFKPIQPQJN-HOCLYGCPSA-N 0 1 393.484 3.729 20 5 GHBDMN C[C@@]1(NC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC[N@@H+](Cc2ccccc2)C1 ZINC001144568810 902399700 /nfs/dbraw/zinc/39/97/00/902399700.db2.gz ONRYMNBIXOSQOI-HXUWFJFHSA-N 0 1 387.867 3.572 20 5 GHBDMN O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000263785377 902526419 /nfs/dbraw/zinc/52/64/19/902526419.db2.gz PKZXHEHZTXTZIO-UHFFFAOYSA-N 0 1 395.394 3.539 20 5 GHBDMN CC(=O)Nc1c(C)ccc(NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)c1C ZINC001144650603 902556605 /nfs/dbraw/zinc/55/66/05/902556605.db2.gz MPFAGBKQMMZPAJ-UHFFFAOYSA-N 0 1 393.403 3.812 20 5 GHBDMN CN1C(=O)C[C@H](NCc2ccc([N+](=O)[O-])c(F)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000801552083 921124660 /nfs/dbraw/zinc/12/46/60/921124660.db2.gz YBEMMGLQYLNDEW-MAUKXSAKSA-N 0 1 395.793 3.588 20 5 GHBDMN O=C(CCN1CC[C@](F)(c2ccccc2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000801588442 921170961 /nfs/dbraw/zinc/17/09/61/921170961.db2.gz OIFNCWMPOIEGGJ-LJQANCHMSA-N 0 1 375.375 3.633 20 5 GHBDMN 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SVLJGNJDUNQHIG-LJQANCHMSA-N 0 1 385.464 3.539 20 5 GHBDMN C[N@@H+](Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC001598507877 992530152 /nfs/dbraw/zinc/53/01/52/992530152.db2.gz WBXIRBONQLMVON-MJGOQNOKSA-N 0 1 388.395 3.784 20 5 GHBDMN C[C@@](NCc1cccc(C[NH+]2CCCCC2)c1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593303719 994738111 /nfs/dbraw/zinc/73/81/11/994738111.db2.gz DVEJNCMXHAERAP-QFIPXVFZSA-N 0 1 397.475 3.670 20 5 GHBDMN COc1ccc(-c2cc(-c3nc(Cc4cccc([N+](=O)[O-])c4C)no3)[nH]n2)cc1 ZINC000545776346 1016364304 /nfs/dbraw/zinc/36/43/04/1016364304.db2.gz PYHHYEAHYGQVOA-UHFFFAOYSA-N 0 1 391.387 3.943 20 5 GHBDMN C[C@@H](c1ccccn1)[N@H+]1CCC[C@H](Oc2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC001227219527 1032327834 /nfs/dbraw/zinc/32/78/34/1032327834.db2.gz HZTWWCMKFBGHEF-HOCLYGCPSA-N 0 1 394.431 3.848 20 5 GHBDMN C[C@@H](c1ccccn1)N1CCC[C@H](Oc2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC001227219527 1032327837 /nfs/dbraw/zinc/32/78/37/1032327837.db2.gz HZTWWCMKFBGHEF-HOCLYGCPSA-N 0 1 394.431 3.848 20 5 GHBDMN Cc1nc(Cl)nc(O[C@@H]2CN(Cc3ccccc3)CC[C@H]2C)c1[N+](=O)[O-] ZINC001227333985 1032377957 /nfs/dbraw/zinc/37/79/57/1032377957.db2.gz AQAPBOYVCGCRDS-IUODEOHRSA-N 0 1 376.844 3.636 20 5 GHBDMN O=C(Nc1cc(F)cc(Cl)c1O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC001155070597 1032400185 /nfs/dbraw/zinc/40/01/85/1032400185.db2.gz UQCAXMLIPMHRSZ-UHFFFAOYSA-N 0 1 390.758 3.590 20 5 GHBDMN CC1(C)CCCN(CCNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000573168592 1019825622 /nfs/dbraw/zinc/82/56/22/1019825622.db2.gz IKVVTTDNJNROPO-UHFFFAOYSA-N 0 1 377.488 3.533 20 5 GHBDMN O=C(Nc1ccccc1-c1ncc2n1CCCC2)c1cc(O)cc([N+](=O)[O-])c1 ZINC001156049213 1032855884 /nfs/dbraw/zinc/85/58/84/1032855884.db2.gz HPWLSYWHJHWBGJ-UHFFFAOYSA-N 0 1 378.388 3.753 20 5 GHBDMN COc1ccccc1[C@@H](Oc1[nH]c(=O)nc2cc([N+](=O)[O-])ccc21)C(F)(F)F ZINC001228241431 1032857856 /nfs/dbraw/zinc/85/78/56/1032857856.db2.gz BBCYXGGXTMTJGA-CQSZACIVSA-N 0 1 395.293 3.935 20 5 GHBDMN Cc1ccc2[nH]cc(C(=O)N3CCS[C@@H]3c3ccc([N+](=O)[O-])cc3)c(=O)c2c1 ZINC000578896875 1020366871 /nfs/dbraw/zinc/36/68/71/1020366871.db2.gz GCDZPHXTANHFKB-HXUWFJFHSA-N 0 1 395.440 3.633 20 5 GHBDMN O=[N+]([O-])c1c(O)cc(C(F)(F)F)nc1O[C@H]1C[C@H](OCc2ccccc2)C1 ZINC001228859077 1033140567 /nfs/dbraw/zinc/14/05/67/1033140567.db2.gz IKYSEGABIZUCAL-HAQNSBGRSA-N 0 1 384.310 3.841 20 5 GHBDMN O=[N+]([O-])c1c(O)cc(C(F)(F)F)nc1OC[C@H]1CCC(c2ccccc2)=NO1 ZINC001228860205 1033143466 /nfs/dbraw/zinc/14/34/66/1033143466.db2.gz QZVXFQJUAMDSOP-LLVKDONJSA-N 0 1 397.309 3.676 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC001204953506 1033182438 /nfs/dbraw/zinc/18/24/38/1033182438.db2.gz WHHZOIBGLLXTDX-WMLDXEAASA-N 0 1 393.484 3.871 20 5 GHBDMN O=C(OCc1cc(O)ccc1[N+](=O)[O-])C1(Cc2cccc(F)c2)CCOCC1 ZINC000837745358 1024676733 /nfs/dbraw/zinc/67/67/33/1024676733.db2.gz UXOBECRGNPNPEG-UHFFFAOYSA-N 0 1 389.379 3.522 20 5 GHBDMN COc1ccc2nc([C@H](C)NC(=O)c3c(F)c(C)cc([N+](=O)[O-])c3F)[nH]c2c1 ZINC001138595431 1025078991 /nfs/dbraw/zinc/07/89/91/1025078991.db2.gz FYMKBUQRPNSJAH-VIFPVBQESA-N 0 1 390.346 3.557 20 5 GHBDMN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc3oc(CN4CCCC4)nc3c2)c1 ZINC001141466694 1025140816 /nfs/dbraw/zinc/14/08/16/1025140816.db2.gz AVUDXAZVCATKGY-UHFFFAOYSA-N 0 1 380.404 3.893 20 5 GHBDMN CN1CCN(c2cc([N+](=O)[O-])cc3c(Cl)ncnc32)[C@@H](c2ccccc2)C1 ZINC001163674371 1026278352 /nfs/dbraw/zinc/27/83/52/1026278352.db2.gz KUTIUJKIUNRZPP-QGZVFWFLSA-N 0 1 383.839 3.685 20 5 GHBDMN CCN1CCN(c2ccc(Nc3ncc([N+](=O)[O-])cc3Cl)cc2F)CC1 ZINC001163974746 1026375158 /nfs/dbraw/zinc/37/51/58/1026375158.db2.gz QEENVAKVIKBVTN-UHFFFAOYSA-N 0 1 379.823 3.668 20 5 GHBDMN O=[N+]([O-])c1ccc2nc(Cl)cc(N3CCN(CCc4ccncc4)CC3)c2c1 ZINC001165060508 1026581044 /nfs/dbraw/zinc/58/10/44/1026581044.db2.gz YBYWJHKEASMXBM-UHFFFAOYSA-N 0 1 397.866 3.556 20 5 GHBDMN CN(C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)c1cccc2c1CCCN2 ZINC001139754471 1026593907 /nfs/dbraw/zinc/59/39/07/1026593907.db2.gz QTIUIXYZIYADBW-UHFFFAOYSA-N 0 1 377.404 3.620 20 5 GHBDMN Cc1nn(CN2CCC=C(c3cn(C(C)C)nn3)CC2)c2ccc([N+](=O)[O-])cc12 ZINC000840119698 1027237707 /nfs/dbraw/zinc/23/77/07/1027237707.db2.gz SKSMFQBQONMZLO-UHFFFAOYSA-N 0 1 395.467 3.562 20 5 GHBDMN COc1ccc(-c2nc(-c3ncccc3/C=C/N3CCCC3)no2)cc1[N+](=O)[O-] ZINC001215412564 1029195367 /nfs/dbraw/zinc/19/53/67/1029195367.db2.gz XYKPLGJQAKENDL-XYOKQWHBSA-N 0 1 393.403 3.782 20 5 GHBDMN COc1cc([N+](=O)[O-])c(-c2nc(-c3ccc(-c4cnco4)cc3)no2)cc1O ZINC001216343585 1029609888 /nfs/dbraw/zinc/60/98/88/1029609888.db2.gz LOBYYGXTBZWVJW-UHFFFAOYSA-N 0 1 380.316 3.681 20 5 GHBDMN CC(C)[C@@H](N)c1noc(-c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)n1 ZINC000843150414 1029832196 /nfs/dbraw/zinc/83/21/96/1029832196.db2.gz KAJBJLAYZFXFCD-YVEFUNNKSA-N 0 1 382.424 3.869 20 5 GHBDMN COc1c(Br)cccc1-c1noc(-c2ccc(O)cc2[N+](=O)[O-])n1 ZINC001216890966 1029981988 /nfs/dbraw/zinc/98/19/88/1029981988.db2.gz LJGJEJKCGWERPR-UHFFFAOYSA-N 0 1 392.165 3.789 20 5 GHBDMN Cc1cc(F)c(-c2nc(-c3ccccc3N3CCN(C)CC3)no2)cc1[N+](=O)[O-] ZINC001216951534 1030025760 /nfs/dbraw/zinc/02/57/60/1030025760.db2.gz ZXRZSSBZTVKGSE-UHFFFAOYSA-N 0 1 397.410 3.511 20 5 GHBDMN COC(=O)c1cccc([N+](=O)[O-])c1CO[C@H]1CCCN([C@@H](C)c2ccccn2)C1 ZINC001222777261 1030304044 /nfs/dbraw/zinc/30/40/44/1030304044.db2.gz GXGZNFQJZWVOQO-HOTGVXAUSA-N 0 1 399.447 3.519 20 5 GHBDMN Cc1ccc(C(=O)c2cc([O-])c(O[C@H]3CCC[NH2+]C[C@@H]3C)c([N+](=O)[O-])c2)cc1 ZINC001217985550 1030705258 /nfs/dbraw/zinc/70/52/58/1030705258.db2.gz GSIOLOKQIHFMSO-LIRRHRJNSA-N 0 1 384.432 3.607 20 5 GHBDMN CCc1ccc(C(=O)N2CCc3nc[nH]c3[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC001151236928 1030818199 /nfs/dbraw/zinc/81/81/99/1030818199.db2.gz PBSCAGBDBJQTSW-HXUWFJFHSA-N 0 1 376.416 3.668 20 5 GHBDMN CCOC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1c2ccccc2cc2ccccc21 ZINC001153497261 1031615834 /nfs/dbraw/zinc/61/58/34/1031615834.db2.gz DHTMVDNGOCCBPM-FQEVSTJZSA-N 0 1 387.439 3.620 20 5 GHBDMN O=[N+]([O-])c1ccc2c(c1)ncnc2O[C@@H]1CCN(Cc2ccccc2Cl)C1 ZINC001229401290 1033459663 /nfs/dbraw/zinc/45/96/63/1033459663.db2.gz DNSLZAVKUTXZBX-OAHLLOKOSA-N 0 1 384.823 3.845 20 5 GHBDMN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1COCC[C@H]1c1ccccc1 ZINC001157251611 1033494902 /nfs/dbraw/zinc/49/49/02/1033494902.db2.gz IWNYITOGDYEQHB-IBGZPJMESA-N 0 1 378.388 3.546 20 5 GHBDMN Cc1ccc([C@@H](CNC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)N2CCCC2)o1 ZINC001205641305 1033506662 /nfs/dbraw/zinc/50/66/62/1033506662.db2.gz CSWPEYNKGOYRCY-MRXNPFEDSA-N 0 1 376.388 3.594 20 5 GHBDMN CCCSc1nc(O[C@H](C)c2ccc(OC)cc2F)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229791213 1033717540 /nfs/dbraw/zinc/71/75/40/1033717540.db2.gz HHVCXLFWVLEBNT-SECBINFHSA-N 0 1 383.401 3.880 20 5 GHBDMN CC(C)(C)OC(=O)N1CC(Oc2ccc3c(c2)oc(=O)c2cc(O)ccc32)C1 ZINC001229791594 1033718562 /nfs/dbraw/zinc/71/85/62/1033718562.db2.gz LDZLAMJZGUWVLA-UHFFFAOYSA-N 0 1 383.400 3.650 20 5 GHBDMN Cc1ncc([N+](=O)[O-])n1C[C@H](C)Oc1ccc2c(c1)oc(=O)c1cc(O)ccc21 ZINC001229797814 1033723427 /nfs/dbraw/zinc/72/34/27/1033723427.db2.gz OMCWAURAQKVQPO-NSHDSACASA-N 0 1 395.371 3.532 20 5 GHBDMN C[C@H](Oc1nc2cccc(N3CCN(C)CC3)c2o1)c1cccc([N+](=O)[O-])c1 ZINC001230103584 1033899521 /nfs/dbraw/zinc/89/95/21/1033899521.db2.gz KQLGLRNKPOMWSE-AWEZNQCLSA-N 0 1 382.420 3.628 20 5 GHBDMN CC(C)(C)OC(=O)N1CC[C@@H]2C[C@@H](Oc3cc4[nH]ncc4cc3[N+](=O)[O-])C[C@H]21 ZINC001230596927 1034139849 /nfs/dbraw/zinc/13/98/49/1034139849.db2.gz XEKBHNPCMKYHER-UXIGCNINSA-N 0 1 388.424 3.638 20 5 GHBDMN C[C@H]1CC[C@@H](Oc2cc3[nH]ncc3cc2[N+](=O)[O-])CN1C(=O)OC(C)(C)C ZINC001230600569 1034140882 /nfs/dbraw/zinc/14/08/82/1034140882.db2.gz HPYGMGVUDVYIRC-WCQYABFASA-N 0 1 376.413 3.638 20 5 GHBDMN CC(C)(C)OC(=O)N1CC[C@@H](Oc2cc3[nH]ncc3cc2[N+](=O)[O-])C(C)(C)C1 ZINC001230602208 1034142875 /nfs/dbraw/zinc/14/28/75/1034142875.db2.gz WKFFLPPOYGITJE-MRXNPFEDSA-N 0 1 390.440 3.886 20 5 GHBDMN Cc1nc(O[C@@H]2CCN(Cc3ccccc3)C2)c([N+](=O)[O-])cc1Br ZINC001231122252 1034411983 /nfs/dbraw/zinc/41/19/83/1034411983.db2.gz RVOREBVFIFONJE-CQSZACIVSA-N 0 1 392.253 3.714 20 5 GHBDMN O=C(N[C@@H]1CCCN(Cc2ccc3ccc4cccnc4c3n2)C1)c1ccncc1 ZINC001232227133 1035172085 /nfs/dbraw/zinc/17/20/85/1035172085.db2.gz GSXXPKVENLSWBR-HXUWFJFHSA-N 0 1 397.482 3.572 20 5 GHBDMN Cc1cnc(O[C@H]2CCCN(Cc3ccc4ccc5cccnc5c4n3)C2)nc1 ZINC001232227688 1035173043 /nfs/dbraw/zinc/17/30/43/1035173043.db2.gz LOWOFSAJWXJPLM-FQEVSTJZSA-N 0 1 385.471 3.925 20 5 GHBDMN COC(=O)c1ccc(O[C@@H]2CCN(Cc3ccc(Cl)cc3)C2)cc1[N+](=O)[O-] ZINC001234056896 1039790052 /nfs/dbraw/zinc/79/00/52/1039790052.db2.gz HQHXTOIVNYSNGB-MRXNPFEDSA-N 0 1 390.823 3.688 20 5 GHBDMN C[C@@H](Cc1ccccc1[N+](=O)[O-])NCC(=O)c1ccc(Br)c(F)c1 ZINC001254536047 1040307548 /nfs/dbraw/zinc/30/75/48/1040307548.db2.gz AAKJLRPQBGRPCN-NSHDSACASA-N 0 1 395.228 3.900 20 5 GHBDMN COc1cc([O-])cc2oc3cc(O)c(OC4CCC([NH+](C)C)CC4)cc3c(=O)c12 ZINC001234802482 1040334209 /nfs/dbraw/zinc/33/42/09/1040334209.db2.gz YIBYVBHICQENBK-UHFFFAOYSA-N 0 1 399.443 3.618 20 5 GHBDMN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001254565188 1040340980 /nfs/dbraw/zinc/34/09/80/1040340980.db2.gz NQNPWJCEZUAXFF-CVEARBPZSA-N 0 1 377.485 3.857 20 5 GHBDMN CC(C)(C)OC(=O)N1CCC[C@]2(CCN2[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254594346 1040367036 /nfs/dbraw/zinc/36/70/36/1040367036.db2.gz QBDVBAWNZWLKGH-RXVVDRJESA-N 0 1 387.480 3.537 20 5 GHBDMN O=C(c1ccc(F)cc1F)C1CCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254602081 1040373260 /nfs/dbraw/zinc/37/32/60/1040373260.db2.gz AQQLXYGVMYFUAM-SFHVURJKSA-N 0 1 386.398 3.935 20 5 GHBDMN Cc1c(C(=O)O[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)ccc2cncn21 ZINC001254799690 1040561231 /nfs/dbraw/zinc/56/12/31/1040561231.db2.gz LYPOAHKFHFQTJL-LBPRGKRZSA-N 0 1 393.359 3.519 20 5 GHBDMN Cc1cc(C(=O)Nc2nc3cccc(Br)c3[nH]2)ccc1[N+](=O)[O-] ZINC001462713849 1070492389 /nfs/dbraw/zinc/49/23/89/1070492389.db2.gz YTXXVEOJGMUSOZ-UHFFFAOYSA-N 0 1 375.182 3.794 20 5 GHBDMN C[C@@H]1CN(CCc2nnc(-c3cc4ccc([N+](=O)[O-])cc4s3)o2)C[C@@H](C)O1 ZINC001258034286 1044361597 /nfs/dbraw/zinc/36/15/97/1044361597.db2.gz HBKAFDARDIQXBI-VXGBXAGGSA-N 0 1 388.449 3.511 20 5 GHBDMN Nc1ncc(C(=O)Nc2ccc3nc(CC4CCCCC4)[nH]c3c2)cc1[N+](=O)[O-] ZINC001294326641 1044583717 /nfs/dbraw/zinc/58/37/17/1044583717.db2.gz LKPZBKUWKIVCRW-UHFFFAOYSA-N 0 1 394.435 3.823 20 5 GHBDMN O=S(=O)(CCc1ccc(F)cc1)Nc1cccc2nc3ccccc3nc21 ZINC001259760824 1045290654 /nfs/dbraw/zinc/29/06/54/1045290654.db2.gz ASSDYRYUHWQLIZ-UHFFFAOYSA-N 0 1 381.432 3.907 20 5 GHBDMN Cc1ccc(CN2CC[C@H](NC(=O)c3ccc([N+](=O)[O-])c(OC(C)C)c3)C2)cc1 ZINC001302724642 1047067871 /nfs/dbraw/zinc/06/78/71/1047067871.db2.gz PPQNLHNODYFMFU-IBGZPJMESA-N 0 1 397.475 3.695 20 5 GHBDMN CC(C)[C@H]1CN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 ZINC001279363243 1047780435 /nfs/dbraw/zinc/78/04/35/1047780435.db2.gz AGFSCRFXFUOGSP-VPAPRSNLSA-N 0 1 393.487 3.977 20 5 GHBDMN Cc1c(CC(=O)N2CCN(Cc3ccccc3)[C@@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC001279363368 1047780561 /nfs/dbraw/zinc/78/05/61/1047780561.db2.gz BPKMPDDEVIBZHE-JOCHJYFZSA-N 0 1 395.503 3.815 20 5 GHBDMN O=C(CCc1cc(F)ccc1[N+](=O)[O-])Nc1n[nH]c2nc(C(F)(F)F)ccc12 ZINC001305712695 1048227877 /nfs/dbraw/zinc/22/78/77/1048227877.db2.gz DGWCYRUAHLBZGQ-UHFFFAOYSA-N 0 1 397.288 3.595 20 5 GHBDMN C[C@@H](Sc1ccc(F)cc1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC001306510470 1048712162 /nfs/dbraw/zinc/71/21/62/1048712162.db2.gz YZZKLPKADIRZDF-SNVBAGLBSA-N 0 1 387.396 3.638 20 5 GHBDMN C[N@@H+](Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000902006124 1049247304 /nfs/dbraw/zinc/24/73/04/1049247304.db2.gz VHLLZWKKHWWANW-OAQYLSRUSA-N 0 1 397.475 3.713 20 5 GHBDMN CC[C@H]1CN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC[C@H]1c1ccccc1 ZINC001307519138 1049361693 /nfs/dbraw/zinc/36/16/93/1049361693.db2.gz AXEKADNEIWANIY-LAUBAEHRSA-N 0 1 393.487 4.000 20 5 GHBDMN CC[C@@H](NCC(=O)NCCc1c(C)cc(C)cc1C)c1cccc([N+](=O)[O-])c1 ZINC001307633650 1049464399 /nfs/dbraw/zinc/46/43/99/1049464399.db2.gz IGGCYWHGSLMNFO-OAQYLSRUSA-N 0 1 383.492 3.920 20 5 GHBDMN C[C@@H](NCC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC001308071024 1049818092 /nfs/dbraw/zinc/81/80/92/1049818092.db2.gz UBFDIQQIPWYBBX-OLZOCXBDSA-N 0 1 377.391 3.743 20 5 GHBDMN CCOc1ccc([N+](=O)[O-])cc1CNCCNc1ccc(C(F)(F)F)cn1 ZINC001308555219 1050007485 /nfs/dbraw/zinc/00/74/85/1050007485.db2.gz IFGUTMZLOUVRQM-UHFFFAOYSA-N 0 1 384.358 3.609 20 5 GHBDMN CN(Cc1cc([N+](=O)[O-])ccc1Cl)Cc1ncc(Br)cc1O ZINC001308576469 1050016162 /nfs/dbraw/zinc/01/61/62/1050016162.db2.gz JWDCGCPFWOBNDR-UHFFFAOYSA-N 0 1 386.633 3.743 20 5 GHBDMN CC(C)(C)N1CCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC001317918383 1054309218 /nfs/dbraw/zinc/30/92/18/1054309218.db2.gz GUNAEMYJLBMIFU-UHFFFAOYSA-N 0 1 382.464 3.895 20 5 GHBDMN Cc1nccn1-c1ccncc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC001318489506 1054674674 /nfs/dbraw/zinc/67/46/74/1054674674.db2.gz BQWDGXZBOJIWJJ-UHFFFAOYSA-N 0 1 379.401 3.951 20 5 GHBDMN COC(=O)[C@H]1CCCC[C@]1(C)NCc1ccc([N+](=O)[O-])cc1Br ZINC001320413276 1055792180 /nfs/dbraw/zinc/79/21/80/1055792180.db2.gz VQBURDQCNGXFGY-CJNGLKHVSA-N 0 1 385.258 3.569 20 5 GHBDMN COc1ccc(C[C@H](C)N(C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC001322221965 1056579126 /nfs/dbraw/zinc/57/91/26/1056579126.db2.gz LPCMKFZORBVPTA-AWEZNQCLSA-N 0 1 382.420 3.716 20 5 GHBDMN O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CCC(c2cc(-c3ccncc3)[nH]n2)CC1 ZINC000848718874 1057263110 /nfs/dbraw/zinc/26/31/10/1057263110.db2.gz RJEZNECMXSQVIC-UHFFFAOYSA-N 0 1 394.391 3.672 20 5 GHBDMN CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2c(s1)CN(C(C)(C)C)CC2 ZINC001326169988 1057426088 /nfs/dbraw/zinc/42/60/88/1057426088.db2.gz KXCBXMZAWBWBQG-UHFFFAOYSA-N 0 1 389.481 3.502 20 5 GHBDMN O=C(Nc1ccc(NC(=O)C2CC2)cc1)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001440823413 1058629359 /nfs/dbraw/zinc/62/93/59/1058629359.db2.gz GWGYASKCKOEIAI-UHFFFAOYSA-N 0 1 391.387 3.586 20 5 GHBDMN CNc1ccc(C(=O)N(C)[C@@H](C)c2nc3ccc(Cl)cc3[nH]2)cc1[N+](=O)[O-] ZINC001449985527 1060497067 /nfs/dbraw/zinc/49/70/67/1060497067.db2.gz SWZNPRDIOJCGBP-JTQLQIEISA-N 0 1 387.827 3.999 20 5 GHBDMN O=C(Nc1nc2ccc(Cl)cc2[nH]1)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC001455480911 1062174589 /nfs/dbraw/zinc/17/45/89/1062174589.db2.gz NFBWINCMQJEBRA-UHFFFAOYSA-N 0 1 382.767 3.767 20 5 GHBDMN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCN(C2CCCCC2)CC1 ZINC001435629571 1062793939 /nfs/dbraw/zinc/79/39/39/1062793939.db2.gz UIPZEPYOHKRZOF-UHFFFAOYSA-N 0 1 397.928 3.817 20 5 GHBDMN O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)c[nH]1)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC001457896731 1063429829 /nfs/dbraw/zinc/42/98/29/1063429829.db2.gz HTSNJYHNHBJBDA-UHFFFAOYSA-N 0 1 392.350 3.766 20 5 GHBDMN COc1ccnc(N2CCN(c3cc(C)c(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1 ZINC001458167035 1063622291 /nfs/dbraw/zinc/62/22/91/1063622291.db2.gz LDFFYUWQKLEIPJ-UHFFFAOYSA-N 0 1 396.369 3.652 20 5 GHBDMN O=[N+]([O-])c1cccc(Br)c1NCCc1cc(-c2ccncc2)[nH]n1 ZINC001458364484 1063764882 /nfs/dbraw/zinc/76/48/82/1063764882.db2.gz ALSCIAJQPPGQTB-UHFFFAOYSA-N 0 1 388.225 3.797 20 5 GHBDMN C[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001466677432 1066251209 /nfs/dbraw/zinc/25/12/09/1066251209.db2.gz VPJTZGDIRGHLSY-LSDHHAIUSA-N 0 1 386.427 3.861 20 5 GHBDMN Cc1cc(NC(=O)NC[C@H](c2ccc(Cl)cc2)N(C)C)cc([N+](=O)[O-])c1 ZINC001467530771 1067345661 /nfs/dbraw/zinc/34/56/61/1067345661.db2.gz VNIOPDWGCJXLPF-QGZVFWFLSA-N 0 1 376.844 3.981 20 5 GHBDMN O=C(c1ccc([N+](=O)[O-])cc1)N1CCc2nc[nH]c2[C@H]1c1ccc(Cl)cc1 ZINC001469244332 1068053211 /nfs/dbraw/zinc/05/32/11/1068053211.db2.gz VSRMXMDKKYRXTN-GOSISDBHSA-N 0 1 382.807 3.759 20 5 GHBDMN C[C@H](NC(=O)N[C@H]1CCN(C)[C@H]1c1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC001469413325 1068151097 /nfs/dbraw/zinc/15/10/97/1068151097.db2.gz VRWBVCDUDDEUKI-IXDGSTSKSA-N 0 1 386.427 3.540 20 5 GHBDMN O=C(Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)c1ccc(CN2CCCCC2)o1 ZINC001359898210 1068245436 /nfs/dbraw/zinc/24/54/36/1068245436.db2.gz UOBSVXHYBIDNKX-UHFFFAOYSA-N 0 1 395.419 3.612 20 5 GHBDMN CC(C)[C@H]1CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC001470142820 1068594223 /nfs/dbraw/zinc/59/42/23/1068594223.db2.gz SOSIABLFAHMZEQ-HXUWFJFHSA-N 0 1 385.439 3.717 20 5 GHBDMN CCO[C@@H]1CCCC[C@H]1NCc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001460238204 1068877856 /nfs/dbraw/zinc/87/78/56/1068877856.db2.gz HCVYOJMVKDQCSV-UKRRQHHQSA-N 0 1 380.832 3.736 20 5 GHBDMN CN(C[C@@H]1CCCCN1CCOc1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC001460795288 1069184415 /nfs/dbraw/zinc/18/44/15/1069184415.db2.gz LDXIKMYQIFYJOT-KRWDZBQOSA-N 0 1 393.484 3.695 20 5 GHBDMN CC(C)(C)OC(=O)N[C@@H]1CCCCCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC001473709508 1074101323 /nfs/dbraw/zinc/10/13/23/1074101323.db2.gz WIJPFBFQAAEGGR-MRXNPFEDSA-N 0 1 393.484 3.743 20 5 GHBDMN CCOC(=O)[C@@H]1[C@H](C)C[C@@H](C)[N@@H+](Cc2ccc([N+](=O)[O-])c(OCC)c2)[C@H]1C ZINC001473880798 1074189000 /nfs/dbraw/zinc/18/90/00/1074189000.db2.gz BXPWLBMOKTXQHQ-BKEDOTJMSA-N 0 1 378.469 3.792 20 5 GHBDMN C[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])c1nc(C(F)(F)F)n[n-]1 ZINC001474724360 1074535342 /nfs/dbraw/zinc/53/53/42/1074535342.db2.gz PVDCUIVSDUYMBI-GMXVVIOVSA-N 0 1 383.374 3.794 20 5 GHBDMN C[C@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736136534 598355919 /nfs/dbraw/zinc/35/59/19/598355919.db2.gz SQZVUCHFYGGWFN-ZDUSSCGKSA-N 0 1 390.403 3.886 20 5 GHBDMN CCOc1ccc([C@H](C)N[C@H](C)c2ccc(-c3nn[nH]n3)cc2)cc1[N+](=O)[O-] ZINC000825632263 608493434 /nfs/dbraw/zinc/49/34/34/608493434.db2.gz NLSNMYCKSGGSRU-OLZOCXBDSA-N 0 1 382.424 3.585 20 5 GHBDMN O=[N+]([O-])c1c(Cl)ccc2nc(N3CCN(CCc4ccccn4)CC3)ccc21 ZINC001165055128 722014538 /nfs/dbraw/zinc/01/45/38/722014538.db2.gz DXWLNSYSPVZICT-UHFFFAOYSA-N 0 1 397.866 3.556 20 5 GHBDMN COc1cc(Cl)c(C)cc1NC(=O)CCNCc1csc([N+](=O)[O-])c1 ZINC000176761540 837735008 /nfs/dbraw/zinc/73/50/08/837735008.db2.gz BREFIVWVZGKTJB-UHFFFAOYSA-N 0 1 383.857 3.745 20 5 GHBDMN Cc1cc(NC[C@H](C)[N@H+]2CCc3sccc3C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000581946156 837752792 /nfs/dbraw/zinc/75/27/92/837752792.db2.gz BGPRKVUVQQNFFL-LBPRGKRZSA-N 0 1 375.450 3.522 20 5 GHBDMN Cc1nc2c(n1[C@@H]1CCN(c3cc(C(F)(F)F)ncc3[N+](=O)[O-])C1)CCCC2 ZINC000278384331 834906622 /nfs/dbraw/zinc/90/66/22/834906622.db2.gz LVXYTPPLTMZCFI-GFCCVEGCSA-N 0 1 395.385 3.844 20 5 GHBDMN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc2c1OCC[C@H]2N(C)C ZINC000471164840 835331944 /nfs/dbraw/zinc/33/19/44/835331944.db2.gz JTTDMVSAJCYEIU-OAHLLOKOSA-N 0 1 385.420 3.631 20 5 GHBDMN Cc1ccc(Cc2ccccn2)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000509382403 835514918 /nfs/dbraw/zinc/51/49/18/835514918.db2.gz CULKOOBUKKGZSC-UHFFFAOYSA-N 0 1 397.456 3.998 20 5 GHBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1F ZINC000102748248 835850675 /nfs/dbraw/zinc/85/06/75/835850675.db2.gz CLVVCQVXNZJRNA-UHFFFAOYSA-N 0 1 382.266 3.693 20 5 GHBDMN COc1cc(C)c([C@@H](C)NCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1OC ZINC000179626628 835898229 /nfs/dbraw/zinc/89/82/29/835898229.db2.gz YQCXZJOOLFMDPO-CQSZACIVSA-N 0 1 387.436 3.518 20 5 GHBDMN COc1ccc(C(=O)Nc2ccccc2-c2nnc(C(C)C)[nH]2)cc1[N+](=O)[O-] ZINC000364484970 836024895 /nfs/dbraw/zinc/02/48/95/836024895.db2.gz RFLXBNVEOJVORM-UHFFFAOYSA-N 0 1 381.392 3.764 20 5 GHBDMN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@@H]1c1ccccc1Cl ZINC000582085253 836243825 /nfs/dbraw/zinc/24/38/25/836243825.db2.gz ZABIGUCTRRZKEJ-RHSMWYFYSA-N 0 1 376.840 3.825 20 5 GHBDMN Cc1c(CN[C@@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)cccc1[N+](=O)[O-] ZINC000136682412 836313416 /nfs/dbraw/zinc/31/34/16/836313416.db2.gz YOFKRVHLYUTQQT-MRXNPFEDSA-N 0 1 391.353 3.919 20 5 GHBDMN C[N@H+]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)C1 ZINC000612538650 836378187 /nfs/dbraw/zinc/37/81/87/836378187.db2.gz RCHXJVDJJIXYGY-OAHLLOKOSA-N 0 1 377.510 3.701 20 5 GHBDMN CN1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)C1 ZINC000612538650 836378199 /nfs/dbraw/zinc/37/81/99/836378199.db2.gz RCHXJVDJJIXYGY-OAHLLOKOSA-N 0 1 377.510 3.701 20 5 GHBDMN O=C(CN[C@@H](c1ccccc1)C1(CO)CCCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000412017448 836378145 /nfs/dbraw/zinc/37/81/45/836378145.db2.gz ZIAYYYSGOPPTDX-NRFANRHFSA-N 0 1 397.475 3.807 20 5 GHBDMN CCS(=O)(=O)c1cc(Cl)cc(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000414215863 836579855 /nfs/dbraw/zinc/57/98/55/836579855.db2.gz YNRGYHGZERZXIT-GFCCVEGCSA-N 0 1 382.869 3.893 20 5 GHBDMN CC[C@@H](CSc1ccccc1[N+](=O)[O-])NCc1ccccc1S(C)(=O)=O ZINC000414230323 836644261 /nfs/dbraw/zinc/64/42/61/836644261.db2.gz GGHORRUPVJXIHN-HNNXBMFYSA-N 0 1 394.518 3.659 20 5 GHBDMN CN(C)Cc1cc(CNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)ccc1F ZINC000175543205 836659455 /nfs/dbraw/zinc/65/94/55/836659455.db2.gz IGYBBNQMCQRBGR-UHFFFAOYSA-N 0 1 388.443 3.530 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCc1ccc(Cl)o1 ZINC000610259534 836792226 /nfs/dbraw/zinc/79/22/26/836792226.db2.gz SPXSQHQKKNWPND-UHFFFAOYSA-N 0 1 385.612 3.627 20 5 GHBDMN Cc1cc(NC(=O)CN[C@@H](C)c2cccc([N+](=O)[O-])c2)n(-c2ccccc2F)n1 ZINC000180411117 837228052 /nfs/dbraw/zinc/22/80/52/837228052.db2.gz SBOKMDHQUDSUJC-AWEZNQCLSA-N 0 1 397.410 3.517 20 5 GHBDMN C[C@@H](NCC(=O)N(C)Cc1ccc(OC(F)F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180419323 837240572 /nfs/dbraw/zinc/24/05/72/837240572.db2.gz DWDXHQIIKAZZQW-CYBMUJFWSA-N 0 1 393.390 3.505 20 5 GHBDMN COc1ccc([C@H](NC(=O)CN[C@@H](C)c2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000180453569 837280439 /nfs/dbraw/zinc/28/04/39/837280439.db2.gz ZEVZVBHHGJSKGE-LHSJRXKWSA-N 0 1 383.448 3.522 20 5 GHBDMN COc1ccc(CN2CCC(C(=O)Nc3ccc(F)cc3)CC2)cc1[N+](=O)[O-] ZINC000101917044 838026476 /nfs/dbraw/zinc/02/64/76/838026476.db2.gz KGDGMEPWEOHUOR-UHFFFAOYSA-N 0 1 387.411 3.593 20 5 GHBDMN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc(OC(F)(F)F)c2)c1C ZINC000024430030 838087297 /nfs/dbraw/zinc/08/72/97/838087297.db2.gz VRYYYGAWAPYFSL-UHFFFAOYSA-N 0 1 390.339 3.911 20 5 GHBDMN Cc1nc2c(n1[C@@H]1CCN(C(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)C1)CCCC2 ZINC000275637922 838137090 /nfs/dbraw/zinc/13/70/90/838137090.db2.gz MOKUWVLKVXOKCN-OAHLLOKOSA-N 0 1 393.447 3.547 20 5 GHBDMN Cc1cc(Cl)c([N+](=O)[O-])cc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000134062445 838288444 /nfs/dbraw/zinc/28/84/44/838288444.db2.gz LUJRGVYMSHIUGF-UHFFFAOYSA-N 0 1 385.785 3.574 20 5 GHBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1ccc(Cl)cc1Cl ZINC000103202359 838375755 /nfs/dbraw/zinc/37/57/55/838375755.db2.gz PUZCYFIVBDDWPS-UHFFFAOYSA-N 0 1 378.175 3.939 20 5 GHBDMN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCN1CCc2ccccc2C1 ZINC000103603433 838464296 /nfs/dbraw/zinc/46/42/96/838464296.db2.gz ZHDYNSUNKNIDIJ-UHFFFAOYSA-N 0 1 396.491 3.573 20 5 GHBDMN CN(CCc1cccc([N+](=O)[O-])c1)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000549807795 844335190 /nfs/dbraw/zinc/33/51/90/844335190.db2.gz DCKFZWQOVBBAKC-UHFFFAOYSA-N 0 1 380.347 3.599 20 5 GHBDMN CC(C)NC(=O)[C@H](C)NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000414540192 838614728 /nfs/dbraw/zinc/61/47/28/838614728.db2.gz GDCVITWFAICJFB-ZDUSSCGKSA-N 0 1 375.400 3.529 20 5 GHBDMN COc1cccc(C=C2CCN(C(=O)c3[nH]nc4ccc([N+](=O)[O-])cc43)CC2)c1 ZINC000472972042 838967866 /nfs/dbraw/zinc/96/78/66/838967866.db2.gz WLGDGMVFBKDDEB-UHFFFAOYSA-N 0 1 392.415 3.799 20 5 GHBDMN CC(C)(NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1F ZINC000473441631 844447951 /nfs/dbraw/zinc/44/79/51/844447951.db2.gz GAIPXPLOYOLQDB-CYBMUJFWSA-N 0 1 382.819 3.652 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(COCC2CC2)c1 ZINC000064938252 839572269 /nfs/dbraw/zinc/57/22/69/839572269.db2.gz YYVRTWKPWRJHRA-UHFFFAOYSA-N 0 1 376.434 3.631 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000511856635 840967432 /nfs/dbraw/zinc/96/74/32/840967432.db2.gz YUDWKBTXDTVHRM-NSHGMRRFSA-N 0 1 395.459 3.810 20 5 GHBDMN O=[N+]([O-])c1cc(CN[C@@H]2CCN(c3ccc(Br)cc3)C2)cs1 ZINC000236716133 841355092 /nfs/dbraw/zinc/35/50/92/841355092.db2.gz GYDZRRQEMFWKBK-CYBMUJFWSA-N 0 1 382.283 3.787 20 5 GHBDMN CCN1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C[C@@H]1C ZINC000500111303 841464717 /nfs/dbraw/zinc/46/47/17/841464717.db2.gz IEWWBKLSOMRCLZ-DLBZAZTESA-N 0 1 396.491 3.762 20 5 GHBDMN CN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@H](c1ccccc1)C(F)(F)F ZINC000487354145 841735381 /nfs/dbraw/zinc/73/53/81/841735381.db2.gz PIEYDKRQPZYRMG-OAHLLOKOSA-N 0 1 378.310 3.847 20 5 GHBDMN Cc1cc(N2CCC(NC(=O)OC(C)(C)C)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302209876 861239392 /nfs/dbraw/zinc/23/93/92/861239392.db2.gz YHJRQGLADSZFSG-UHFFFAOYSA-N 0 1 386.452 3.945 20 5 GHBDMN CCN1C[C@H](C)N(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C[C@H]1C ZINC001266797191 842004901 /nfs/dbraw/zinc/00/49/01/842004901.db2.gz IEGFCTDQAVEOQH-CVEARBPZSA-N 0 1 382.464 3.893 20 5 GHBDMN CN(CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000604520679 842055576 /nfs/dbraw/zinc/05/55/76/842055576.db2.gz BCCWQFCPAOTNOR-UTKZUKDTSA-N 0 1 383.448 3.633 20 5 GHBDMN CN1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H]1Cc1ccccc1 ZINC000585756135 842264550 /nfs/dbraw/zinc/26/45/50/842264550.db2.gz KMSBGXVHMAUUOB-NRFANRHFSA-N 0 1 392.459 3.609 20 5 GHBDMN C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@H]3CCCc4ccc([N+](=O)[O-])cc43)c2)CCO1 ZINC000249050640 842708730 /nfs/dbraw/zinc/70/87/30/842708730.db2.gz XIAGCBYGCMCDTQ-HXOBKFHXSA-N 0 1 395.503 3.983 20 5 GHBDMN Cc1cc(N[C@@H]2CCN(Cc3ccc(F)cc3)C2=O)c2cc([N+](=O)[O-])ccc2n1 ZINC000302758779 861352041 /nfs/dbraw/zinc/35/20/41/861352041.db2.gz XNVRADCTVFEDEI-LJQANCHMSA-N 0 1 394.406 3.804 20 5 GHBDMN C[C@@H](N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000028348430 861354285 /nfs/dbraw/zinc/35/42/85/861354285.db2.gz GTRWJKLXXGVRGC-KGLIPLIRSA-N 0 1 396.447 3.621 20 5 GHBDMN CCOC(=O)c1cnn(C2CCN([C@H](C)c3ccccc3[N+](=O)[O-])CC2)c1C ZINC000510634608 843099272 /nfs/dbraw/zinc/09/92/72/843099272.db2.gz SGWHZTZCBDGVTN-CQSZACIVSA-N 0 1 386.452 3.675 20 5 GHBDMN O=C(Nc1nnc([C@H]2CCCc3ccccc32)s1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000432613966 843298794 /nfs/dbraw/zinc/29/87/94/843298794.db2.gz DDLQCKXQNKGXMM-INIZCTEOSA-N 0 1 396.428 3.872 20 5 GHBDMN Cc1ccc(C[NH+]2CCCC2)cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000131466145 861408571 /nfs/dbraw/zinc/40/85/71/861408571.db2.gz IYJXGVAKWBNCEC-UHFFFAOYSA-N 0 1 389.477 3.608 20 5 GHBDMN Cc1ccc(C[NH+]2CCCC2)cc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000131482639 861412047 /nfs/dbraw/zinc/41/20/47/861412047.db2.gz WZJFFCIHVXHIBW-UHFFFAOYSA-N 0 1 389.477 3.608 20 5 GHBDMN CCc1ccc(C(=O)Nc2cccc(CN3CCSCC3)c2)cc1[N+](=O)[O-] ZINC000471916521 843485227 /nfs/dbraw/zinc/48/52/27/843485227.db2.gz BZDSYSHUJKVHKS-UHFFFAOYSA-N 0 1 385.489 3.958 20 5 GHBDMN CCc1nn(C)c(NC[C@@H](c2ccc(OC)cc2)N2CCCCC2)c1[N+](=O)[O-] ZINC000512908293 843976003 /nfs/dbraw/zinc/97/60/03/843976003.db2.gz ASGIQYRZYQVKRT-SFHVURJKSA-N 0 1 387.484 3.538 20 5 GHBDMN COC[C@H](C)N(CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCc2ccccc21 ZINC000599683237 861523748 /nfs/dbraw/zinc/52/37/48/861523748.db2.gz OMZCIKZTRDWEDB-HNAYVOBHSA-N 0 1 383.448 3.558 20 5 GHBDMN CC(C)c1nnc(-c2ccccc2NC(=O)COc2ccccc2[N+](=O)[O-])[nH]1 ZINC000119663557 846196264 /nfs/dbraw/zinc/19/62/64/846196264.db2.gz STUGHOKEPDNKBT-UHFFFAOYSA-N 0 1 381.392 3.521 20 5 GHBDMN CC[C@H]1C[C@@]1(NCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1cccc(C)c1 ZINC000502578956 846223662 /nfs/dbraw/zinc/22/36/62/846223662.db2.gz MPBYYYZULQRDRR-BTYIYWSLSA-N 0 1 383.448 3.765 20 5 GHBDMN Cc1cc(Cl)ccc1OCCCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000502741903 846417698 /nfs/dbraw/zinc/41/76/98/846417698.db2.gz ZEUDDPDWPLQDPT-UHFFFAOYSA-N 0 1 388.811 3.632 20 5 GHBDMN CN(CCn1cc([N+](=O)[O-])cn1)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000551714236 846487639 /nfs/dbraw/zinc/48/76/39/846487639.db2.gz UWDOUBYYQWWQCR-UHFFFAOYSA-N 0 1 396.291 3.961 20 5 GHBDMN CCCC(=O)Nc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c1C ZINC000063181206 846549167 /nfs/dbraw/zinc/54/91/67/846549167.db2.gz NHBKGNZSEYEFPX-UHFFFAOYSA-N 0 1 391.449 3.751 20 5 GHBDMN O=C(Cc1ccccc1[N+](=O)[O-])N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000023388948 846996726 /nfs/dbraw/zinc/99/67/26/846996726.db2.gz XKHSKBFMRCTJTD-JOCHJYFZSA-N 0 1 386.411 3.919 20 5 GHBDMN C[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000501603717 847040640 /nfs/dbraw/zinc/04/06/40/847040640.db2.gz HDHUQBUYRRNROJ-JKSUJKDBSA-N 0 1 392.459 3.811 20 5 GHBDMN C[C@H]1CN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)[C@@H](C)CN1Cc1ccccc1 ZINC000501592651 847046349 /nfs/dbraw/zinc/04/63/49/847046349.db2.gz LIKLQJWJLCFGQY-HOTGVXAUSA-N 0 1 392.459 3.811 20 5 GHBDMN CCC[C@@H]1CN(C(=O)c2cc3ccccc3c3cccnc23)CCN1CCOC ZINC000501599193 847050645 /nfs/dbraw/zinc/05/06/45/847050645.db2.gz CEDTXWGSKDSWNH-LJQANCHMSA-N 0 1 391.515 3.961 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N2CCc3c(ccc(Cl)c3Cl)C2)c1[N+](=O)[O-] ZINC000434182094 847193648 /nfs/dbraw/zinc/19/36/48/847193648.db2.gz WCFUMWRVHRBULC-UHFFFAOYSA-N 0 1 383.235 3.947 20 5 GHBDMN C[C@H]1C[C@@]1(NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccc(Cl)cc1 ZINC000503373856 847650010 /nfs/dbraw/zinc/65/00/10/847650010.db2.gz FTTPWGHEVAGQAW-RBZFPXEDSA-N 0 1 385.851 3.662 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@]1(c2ccc(Cl)cc2)C[C@H]1C ZINC000503412822 847677909 /nfs/dbraw/zinc/67/79/09/847677909.db2.gz PRMYQVYZHBJBIE-CWTRNNRKSA-N 0 1 389.839 3.720 20 5 GHBDMN C[C@@H]1CN(Cc2cccc(Nc3ncnc4ccc([N+](=O)[O-])cc43)c2)C[C@@H](C)O1 ZINC000611706884 848042780 /nfs/dbraw/zinc/04/27/80/848042780.db2.gz MIJZOWTWTCTXSJ-HUUCEWRRSA-N 0 1 393.447 3.891 20 5 GHBDMN COc1cc([C@H]2Nc3ccccc3C(=O)N2Cc2ccco2)cc([N+](=O)[O-])c1O ZINC000024102836 848056487 /nfs/dbraw/zinc/05/64/87/848056487.db2.gz PUPNODVSKPPWSL-IBGZPJMESA-N 0 1 395.371 3.669 20 5 GHBDMN COc1ccc(NC(=O)[C@H](C)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1OC ZINC000178691841 848544431 /nfs/dbraw/zinc/54/44/31/848544431.db2.gz VCKPGMRFELIDHZ-KGLIPLIRSA-N 0 1 387.436 3.598 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000162488819 849089182 /nfs/dbraw/zinc/08/91/82/849089182.db2.gz CXTWNBSELHFDQW-HNNXBMFYSA-N 0 1 383.452 3.645 20 5 GHBDMN C[C@@H](NC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000178795609 849198414 /nfs/dbraw/zinc/19/84/14/849198414.db2.gz JLVTWVZZJYGQCF-CVEARBPZSA-N 0 1 397.479 3.576 20 5 GHBDMN CN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Cc1ccc([S@@](C)=O)cc1 ZINC000178804025 849256198 /nfs/dbraw/zinc/25/61/98/849256198.db2.gz SJHSCUVRMHTLJM-MUUNZHRXSA-N 0 1 399.472 3.662 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@H](C)c1cccc(Cl)c1 ZINC000057421427 862087719 /nfs/dbraw/zinc/08/77/19/862087719.db2.gz BDEUMBHKASJRPT-NEPJUHHUSA-N 0 1 377.828 3.935 20 5 GHBDMN Cc1cnn(-c2ccc(C)cc2NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000435139958 850139944 /nfs/dbraw/zinc/13/99/44/850139944.db2.gz QYGIPCARDZSUSM-UHFFFAOYSA-N 0 1 386.433 3.507 20 5 GHBDMN O=[N+]([O-])c1cc(CN2CC[C@H](c3nnc[nH]3)C2)ccc1Oc1ccc(F)cc1 ZINC000425361949 850432419 /nfs/dbraw/zinc/43/24/19/850432419.db2.gz YWINQBQAEMRSFX-AWEZNQCLSA-N 0 1 383.383 3.634 20 5 GHBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000435582616 850670474 /nfs/dbraw/zinc/67/04/74/850670474.db2.gz FNACVCTVKZQHSK-AULYBMBSSA-N 0 1 384.816 3.612 20 5 GHBDMN Cc1[nH]nc(C(=O)N2CCC[C@@H]2c2ccc(Br)cc2C)c1[N+](=O)[O-] ZINC000600509635 862154828 /nfs/dbraw/zinc/15/48/28/862154828.db2.gz ROWCWOXUMKBIQU-CYBMUJFWSA-N 0 1 393.241 3.675 20 5 GHBDMN CCCc1[nH]nc(C(=O)N2CCC[C@@]3(CCCc4ccccc43)C2)c1[N+](=O)[O-] ZINC000440005167 850691652 /nfs/dbraw/zinc/69/16/52/850691652.db2.gz IZZPMRGCKNCQBC-NRFANRHFSA-N 0 1 382.464 3.781 20 5 GHBDMN CSc1ccc(-c2nsc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)n2)cc1 ZINC000506764932 850839982 /nfs/dbraw/zinc/83/99/82/850839982.db2.gz WCZVBVWQCHUWEO-UHFFFAOYSA-N 0 1 388.430 3.793 20 5 GHBDMN COCC(C)(C)N1CCN(C(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000425004416 850844058 /nfs/dbraw/zinc/84/40/58/850844058.db2.gz USKYAEOONGRVNV-UHFFFAOYSA-N 0 1 377.488 3.571 20 5 GHBDMN CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000910374439 851163547 /nfs/dbraw/zinc/16/35/47/851163547.db2.gz MKLVKEABBGILIJ-GOSISDBHSA-N 0 1 397.475 3.950 20 5 GHBDMN O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000505753311 851182422 /nfs/dbraw/zinc/18/24/22/851182422.db2.gz QUARFPALQXWBBI-UHFFFAOYSA-N 0 1 393.403 3.538 20 5 GHBDMN O=[N+]([O-])c1cc(Br)ccc1CN[C@@H](CCCO)c1ccccc1 ZINC000425461307 851188520 /nfs/dbraw/zinc/18/85/20/851188520.db2.gz RXQFVBNQCMYITG-INIZCTEOSA-N 0 1 379.254 3.961 20 5 GHBDMN C[C@H](CN1CCCCC1)NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436101422 851197900 /nfs/dbraw/zinc/19/79/00/851197900.db2.gz JHZUDAPWDIDVMG-CYBMUJFWSA-N 0 1 399.441 3.564 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000604521707 862244517 /nfs/dbraw/zinc/24/45/17/862244517.db2.gz UYXOMPVYXUXFHN-GCJKJVERSA-N 0 1 397.475 3.941 20 5 GHBDMN COc1ccc([C@H](C)NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1Br ZINC000505463649 851451178 /nfs/dbraw/zinc/45/11/78/851451178.db2.gz DGKZWIWRZARGKY-VIFPVBQESA-N 0 1 395.209 3.563 20 5 GHBDMN C[C@H](CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CCC(C)CC1 ZINC000436317742 851453495 /nfs/dbraw/zinc/45/34/95/851453495.db2.gz NILKAGMAGPFDMU-OAHLLOKOSA-N 0 1 395.478 3.671 20 5 GHBDMN COc1cccc(CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC(C)C)c1 ZINC000604494600 862255656 /nfs/dbraw/zinc/25/56/56/862255656.db2.gz CTDPIPUTOIIKNK-UHFFFAOYSA-N 0 1 385.464 3.724 20 5 GHBDMN COc1ccc(NC(=O)CNC(C)(C)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000057846516 862259462 /nfs/dbraw/zinc/25/94/62/862259462.db2.gz FNIQTZGTIDHSGZ-UHFFFAOYSA-N 0 1 377.828 3.720 20 5 GHBDMN CCC(=O)c1ccc(O)c(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c1 ZINC000436649927 852139574 /nfs/dbraw/zinc/13/95/74/852139574.db2.gz YAYFWJBEYLNFSQ-UHFFFAOYSA-N 0 1 380.303 3.747 20 5 GHBDMN CCN(CC)[C@@H](CNC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccco1 ZINC000489439624 852341087 /nfs/dbraw/zinc/34/10/87/852341087.db2.gz ZBLYOHQVWTWUOM-QAPCUYQASA-N 0 1 388.468 3.940 20 5 GHBDMN Cn1ccnc1[C@H](NC[C@H]1CCCO[C@@H]1C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000517906570 852606517 /nfs/dbraw/zinc/60/65/17/852606517.db2.gz DCXOQWXMUNTAQQ-QRQLOZEOSA-N 0 1 386.496 3.849 20 5 GHBDMN Cc1ccc([C@H](C)NC(=O)NC[C@H](c2ccsc2)N(C)C)cc1[N+](=O)[O-] ZINC000489909383 852662324 /nfs/dbraw/zinc/66/23/24/852662324.db2.gz HGAXZYMGAOUCKE-SUMWQHHRSA-N 0 1 376.482 3.628 20 5 GHBDMN CCN(C(=O)c1cc([O-])cc([N+](=O)[O-])c1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000507302452 852779699 /nfs/dbraw/zinc/77/96/99/852779699.db2.gz MGBUSGDOIZOUPR-QAPCUYQASA-N 0 1 383.448 3.598 20 5 GHBDMN Cc1ccc([C@H](CNC(=O)CSc2ccc([N+](=O)[O-])cc2)N2CCCC2)o1 ZINC000506344878 852805885 /nfs/dbraw/zinc/80/58/85/852805885.db2.gz CGCUBQKSYWKPKC-KRWDZBQOSA-N 0 1 389.477 3.542 20 5 GHBDMN O=C(CC1CCCC1)NCCN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000490190748 852820793 /nfs/dbraw/zinc/82/07/93/852820793.db2.gz LYQIKEHMQRIUNO-JOCHJYFZSA-N 0 1 381.476 3.970 20 5 GHBDMN Cc1ccc([C@H](CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)N2CCCC2)o1 ZINC000506388561 852939921 /nfs/dbraw/zinc/93/99/21/852939921.db2.gz ZDVLOSZQNIJVSG-IBGZPJMESA-N 0 1 398.463 3.637 20 5 GHBDMN Cc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)N2CCCC2)o1 ZINC000506401389 852957881 /nfs/dbraw/zinc/95/78/81/852957881.db2.gz IHNXVVIBJZATIJ-INIZCTEOSA-N 0 1 377.828 3.717 20 5 GHBDMN CCSCc1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1 ZINC000490369638 852968373 /nfs/dbraw/zinc/96/83/73/852968373.db2.gz OUTBKYMDPYSGCL-UHFFFAOYSA-N 0 1 383.433 3.885 20 5 GHBDMN O=C(CSc1ccccc1Cl)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000490358877 852979532 /nfs/dbraw/zinc/97/95/32/852979532.db2.gz AHBVUKAUWXFAPC-UHFFFAOYSA-N 0 1 389.824 3.764 20 5 GHBDMN O=C(Nc1cccc(C[S@](=O)c2ccccc2)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000506476021 853231136 /nfs/dbraw/zinc/23/11/36/853231136.db2.gz ZVCOBUBXGXZTPL-NDEPHWFRSA-N 0 1 396.424 3.861 20 5 GHBDMN CCc1cc(CNC(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)n[nH]1 ZINC000732790205 862496406 /nfs/dbraw/zinc/49/64/06/862496406.db2.gz CTFOTJJYZYZQIV-UHFFFAOYSA-N 0 1 376.482 3.949 20 5 GHBDMN COc1c(F)cc(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)cc1F ZINC000055682474 854052729 /nfs/dbraw/zinc/05/27/29/854052729.db2.gz DMNSAXMGMYMFJP-UHFFFAOYSA-N 0 1 392.767 3.644 20 5 GHBDMN CC(=O)Nc1ccc(Cl)cc1NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000058495243 862535970 /nfs/dbraw/zinc/53/59/70/862535970.db2.gz XGIXZBGNAJTEFM-UHFFFAOYSA-N 0 1 397.840 3.624 20 5 GHBDMN Cc1cc(NCc2noc(-c3ccccc3C)n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000588828605 854510423 /nfs/dbraw/zinc/51/04/23/854510423.db2.gz MAUUDTGGWKPVDO-UHFFFAOYSA-N 0 1 375.388 3.844 20 5 GHBDMN C[C@H](NCc1ccc(Br)cc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000326660623 854848980 /nfs/dbraw/zinc/84/89/80/854848980.db2.gz AGRPQCXNKHAAHL-NSHDSACASA-N 0 1 393.237 3.979 20 5 GHBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN(C)[C@H]2CCCc3cc(OC)ccc32)c1 ZINC000589496479 854909185 /nfs/dbraw/zinc/90/91/85/854909185.db2.gz XGRYJGWTHWZMKU-FQEVSTJZSA-N 0 1 384.432 3.899 20 5 GHBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN2C[C@@H](C)C[C@H]2c2cccc(OC)c2)c1 ZINC000589510604 854972270 /nfs/dbraw/zinc/97/22/70/854972270.db2.gz NKAPOURDHNONMM-XOBRGWDASA-N 0 1 384.432 3.973 20 5 GHBDMN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2cnc(C(F)(F)F)cc2C)c1 ZINC000589558113 855025472 /nfs/dbraw/zinc/02/54/72/855025472.db2.gz ZJIRPTBNFNOCML-UHFFFAOYSA-N 0 1 389.355 3.735 20 5 GHBDMN CC(C)(C)c1ccc(C(=O)N[C@H](c2nnc[nH]2)c2ccccc2)cc1[N+](=O)[O-] ZINC000542673823 855248595 /nfs/dbraw/zinc/24/85/95/855248595.db2.gz KXCQMIMEFYWOOP-KRWDZBQOSA-N 0 1 379.420 3.530 20 5 GHBDMN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](c1cccs1)N(C)C ZINC000184648523 855413751 /nfs/dbraw/zinc/41/37/51/855413751.db2.gz XXPSIFIYMPMHQO-DOTOQJQBSA-N 0 1 375.494 3.644 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1CNCc1cc(Br)c2c(c1)OCCO2 ZINC000542700221 855481543 /nfs/dbraw/zinc/48/15/43/855481543.db2.gz OWJNPWRWVMZLNU-UHFFFAOYSA-N 0 1 393.237 3.727 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1CN(C)[C@H](CO)c1cccc(Br)c1 ZINC000542701834 855502668 /nfs/dbraw/zinc/50/26/68/855502668.db2.gz PPONVHGWSHVLGK-QGZVFWFLSA-N 0 1 379.254 3.831 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000133796898 862704347 /nfs/dbraw/zinc/70/43/47/862704347.db2.gz CVLKPOGCUPQWAQ-LSDHHAIUSA-N 0 1 391.493 3.565 20 5 GHBDMN O=[N+]([O-])c1ccc(NCc2n[nH]c(COc3ccccc3)n2)cc1OC(F)F ZINC000184778733 855817791 /nfs/dbraw/zinc/81/77/91/855817791.db2.gz QLHWYMZBTZVWSU-UHFFFAOYSA-N 0 1 391.334 3.505 20 5 GHBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1C[C@H](c2cnn(C)c2)C(C)(C)C1 ZINC000573281759 856009253 /nfs/dbraw/zinc/00/92/53/856009253.db2.gz SJTRVNGKYZSNCL-SUMWQHHRSA-N 0 1 396.451 3.565 20 5 GHBDMN Cc1cccc(S(=O)(=O)CCCNC(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC000429234770 856543151 /nfs/dbraw/zinc/54/31/51/856543151.db2.gz HRSPNVPXPSECFO-UHFFFAOYSA-N 0 1 376.478 3.592 20 5 GHBDMN CC1CCC(N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)CC2)CC1 ZINC000485604301 856808786 /nfs/dbraw/zinc/80/87/86/856808786.db2.gz INKWGHOIWUMQQJ-UHFFFAOYSA-N 0 1 397.422 3.533 20 5 GHBDMN C[C@H](NCC(=O)Nc1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 ZINC000173333048 856869383 /nfs/dbraw/zinc/86/93/83/856869383.db2.gz HGACNLYKVCZEIM-NSHDSACASA-N 0 1 378.226 3.647 20 5 GHBDMN C[C@@H](NCC(=O)Nc1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 ZINC000173333064 856869443 /nfs/dbraw/zinc/86/94/43/856869443.db2.gz HGACNLYKVCZEIM-LLVKDONJSA-N 0 1 378.226 3.647 20 5 GHBDMN O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3cnc(-c4ccccc4)s3)C2)nc1 ZINC000173468564 856946128 /nfs/dbraw/zinc/94/61/28/856946128.db2.gz IINKISZXCGZZDB-HNNXBMFYSA-N 0 1 381.461 3.800 20 5 GHBDMN COc1cccc(C(=O)N(C(C)C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000592695009 857027905 /nfs/dbraw/zinc/02/79/05/857027905.db2.gz RVHSBXOQXXDUEX-SFHVURJKSA-N 0 1 397.475 3.729 20 5 GHBDMN Cc1nc(C(C)C)sc1[C@H](C)N(C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000245653438 857057768 /nfs/dbraw/zinc/05/77/68/857057768.db2.gz KPFHCPJUYIVZIH-GOEBONIOSA-N 0 1 393.509 3.916 20 5 GHBDMN COc1ccc(NC(=O)CN[C@H](C)c2ccc3ncsc3c2)c([N+](=O)[O-])c1 ZINC000485850852 857145654 /nfs/dbraw/zinc/14/56/54/857145654.db2.gz OLZUJUVZMNYXRS-LLVKDONJSA-N 0 1 386.433 3.502 20 5 GHBDMN Cc1ccc(NC(=O)[C@@H](c2ccccc2)N(C)C[C@@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC000174148672 857216788 /nfs/dbraw/zinc/21/67/88/857216788.db2.gz DTFVQAOAGXJPJK-LAUBAEHRSA-N 0 1 397.475 3.941 20 5 GHBDMN CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000175082600 857436429 /nfs/dbraw/zinc/43/64/29/857436429.db2.gz PQEQVGQFWUNXQJ-INIZCTEOSA-N 0 1 399.495 3.691 20 5 GHBDMN O=C(Nc1cccc(CN2CCSCC2)c1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000520974212 857439898 /nfs/dbraw/zinc/43/98/98/857439898.db2.gz VKGAMQXVNDYJES-UHFFFAOYSA-N 0 1 375.425 3.535 20 5 GHBDMN COc1ccc([C@H]2CCCCCN2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000027374844 857944449 /nfs/dbraw/zinc/94/44/49/857944449.db2.gz JPMQGNYPVHZSEU-LJQANCHMSA-N 0 1 383.448 3.820 20 5 GHBDMN O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC000594511329 858205313 /nfs/dbraw/zinc/20/53/13/858205313.db2.gz FXPAHBYRZCOGML-XYJFISCASA-N 0 1 380.366 3.706 20 5 GHBDMN CCOC(=O)CCN(Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C(C)C ZINC000594611232 858240932 /nfs/dbraw/zinc/24/09/32/858240932.db2.gz OIFTXPTULAEARF-UHFFFAOYSA-N 0 1 377.466 3.882 20 5 GHBDMN Cc1cc(N2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000592971899 858456965 /nfs/dbraw/zinc/45/69/65/858456965.db2.gz VTHJHSLZZBKAJR-CQSZACIVSA-N 0 1 387.411 3.624 20 5 GHBDMN COc1c2ccccc2oc1CN[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000474084132 858874096 /nfs/dbraw/zinc/87/40/96/858874096.db2.gz SHEOZVXZUWDCEX-ZDUSSCGKSA-N 0 1 383.404 3.857 20 5 GHBDMN CCc1c(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cnn1-c1ccccc1Cl ZINC000482806245 858876484 /nfs/dbraw/zinc/87/64/84/858876484.db2.gz ZQSVNNNREKRFFE-UHFFFAOYSA-N 0 1 386.795 3.954 20 5 GHBDMN O=C(Nc1nc(-c2ccc(F)cc2)ns1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000112594778 859253572 /nfs/dbraw/zinc/25/35/72/859253572.db2.gz PMHXIZKJIBVRRK-UHFFFAOYSA-N 0 1 380.307 3.783 20 5 GHBDMN Cc1sc(S(=O)(=O)Nc2ccc(OC(F)F)cc2F)cc1[N+](=O)[O-] ZINC000509395444 859306329 /nfs/dbraw/zinc/30/63/29/859306329.db2.gz BFUQHAVNSWHSOW-UHFFFAOYSA-N 0 1 382.341 3.506 20 5 GHBDMN C[C@@H](Sc1nc(-c2ccccn2)n[nH]1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000117115853 859306839 /nfs/dbraw/zinc/30/68/39/859306839.db2.gz XPRSSSBOVAZWBW-SNVBAGLBSA-N 0 1 395.404 3.678 20 5 GHBDMN CCc1ccc([C@@H](NC[C@@H]2CCCN2CCOC)c2ccc([N+](=O)[O-])cc2)o1 ZINC000544359844 859309797 /nfs/dbraw/zinc/30/97/97/859309797.db2.gz VZZKIJDJLVEMTI-RXVVDRJESA-N 0 1 387.480 3.540 20 5 GHBDMN O=C1C[C@@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)[C@@H]2CCCCN12 ZINC000509404751 859337475 /nfs/dbraw/zinc/33/74/75/859337475.db2.gz RBLXBIRUWKCSBD-SJORKVTESA-N 0 1 389.839 3.751 20 5 GHBDMN O=C1C[C@@H](NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)[C@@H]2CCCCN12 ZINC000509409687 859356438 /nfs/dbraw/zinc/35/64/38/859356438.db2.gz HCLHJWVMGLCLTN-MSOLQXFVSA-N 0 1 399.422 3.769 20 5 GHBDMN C[C@]1(c2ccc(F)cc2)CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000483424870 859357471 /nfs/dbraw/zinc/35/74/71/859357471.db2.gz XHZQXNCVYVRZDS-FQEVSTJZSA-N 0 1 382.395 3.948 20 5 GHBDMN COC(=O)c1ccc(C(C)C)c(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000466470322 859650582 /nfs/dbraw/zinc/65/05/82/859650582.db2.gz IYFWSVSQPPQSIP-UHFFFAOYSA-N 0 1 392.433 3.614 20 5 GHBDMN CC[C@@H](N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1c(C)nn(C)c1C ZINC000543458143 859774708 /nfs/dbraw/zinc/77/47/08/859774708.db2.gz PQPVXQBGBQAMCK-XHDPSFHLSA-N 0 1 393.875 3.666 20 5 GHBDMN CO[C@H](c1ccccc1Cl)[C@@H](C)NCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611521511 859792833 /nfs/dbraw/zinc/79/28/33/859792833.db2.gz NUQYBQNPSWCHSA-BLVKFPJESA-N 0 1 392.839 3.885 20 5 GHBDMN O=[N+]([O-])c1ccccc1/C=C/CN1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000124124377 860238235 /nfs/dbraw/zinc/23/82/35/860238235.db2.gz UNMPEEGGKXXTDD-YOCVDRLZSA-N 0 1 381.480 3.806 20 5 GHBDMN CC[C@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000124136820 860242882 /nfs/dbraw/zinc/24/28/82/860242882.db2.gz VBTAIDBQXNNYPN-HNNXBMFYSA-N 0 1 377.828 3.936 20 5 GHBDMN COc1cc(CN2CC[C@@]3(CCOC3)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000093820766 860357971 /nfs/dbraw/zinc/35/79/71/860357971.db2.gz WILOMRJJDJEFQS-JOCHJYFZSA-N 0 1 398.459 3.795 20 5 GHBDMN COc1ccc([C@H]2CCN(Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)cc1 ZINC000155320502 860477054 /nfs/dbraw/zinc/47/70/54/860477054.db2.gz NNXDGTWHKBWSQV-INIZCTEOSA-N 0 1 380.404 3.643 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2ncn(CN3CCC[C@@H](Cc4ccccc4)C3)n2)c1 ZINC000729984942 860484649 /nfs/dbraw/zinc/48/46/49/860484649.db2.gz BLGALEKANARPGZ-SFHVURJKSA-N 0 1 377.448 3.766 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2cc(-c3nc(-c4ccc5c(c4)CCO5)no3)[nH]n2)cc1 ZINC000904687249 860551078 /nfs/dbraw/zinc/55/10/78/860551078.db2.gz XVWWNLFFBGRYAD-UHFFFAOYSA-N 0 1 375.344 3.637 20 5 GHBDMN C[C@](O)(CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1cccs1 ZINC000153023815 881552277 /nfs/dbraw/zinc/55/22/77/881552277.db2.gz WPKPAXSEEOKLAK-KRWDZBQOSA-N 0 1 375.475 3.777 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2nc(CNC[C@H]3CCCN3CC(F)F)cs2)c1 ZINC000598987243 860702720 /nfs/dbraw/zinc/70/27/20/860702720.db2.gz IKXKVRZTBQWFKU-OAHLLOKOSA-N 0 1 382.436 3.537 20 5 GHBDMN Cc1ccc(-c2n[nH]c(SCC(=O)Nc3cccc([N+](=O)[O-])c3C)n2)cc1 ZINC000021674911 860890120 /nfs/dbraw/zinc/89/01/20/860890120.db2.gz XLGGWLHNQBOSIF-UHFFFAOYSA-N 0 1 383.433 3.728 20 5 GHBDMN Cc1ccc(S(=O)(=O)[N-]c2cccc(C[NH+]3CCCCC3)c2)cc1[N+](=O)[O-] ZINC000444031846 863177589 /nfs/dbraw/zinc/17/75/89/863177589.db2.gz IQVJLDNESMPGSP-UHFFFAOYSA-N 0 1 389.477 3.690 20 5 GHBDMN CCc1[nH]nc(C(=O)N2CCc3ccccc3[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000444193087 863652418 /nfs/dbraw/zinc/65/24/18/863652418.db2.gz ZYVJJSWGBCEJGO-IBGZPJMESA-N 0 1 376.416 3.668 20 5 GHBDMN COc1ccc(CN2CCC(c3ccc4cccnc4n3)CC2)cc1[N+](=O)[O-] ZINC000594021261 863761376 /nfs/dbraw/zinc/76/13/76/863761376.db2.gz QNADNYSOJSFEEO-UHFFFAOYSA-N 0 1 378.432 3.926 20 5 GHBDMN CCc1[nH]nc(C(=O)N(CC)[C@H](c2ccc(C)cc2)c2cccnc2)c1[N+](=O)[O-] ZINC000444269208 863789922 /nfs/dbraw/zinc/78/99/22/863789922.db2.gz NVDAIORNHTVFKP-LJQANCHMSA-N 0 1 393.447 3.835 20 5 GHBDMN CCCCn1ncc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)c1C(C)C ZINC000480225406 864294307 /nfs/dbraw/zinc/29/43/07/864294307.db2.gz KIDNOGIAXGBHLP-UHFFFAOYSA-N 0 1 396.469 3.524 20 5 GHBDMN CC(C)c1nc([C@H](C)NC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)n[nH]1 ZINC000475191010 864495805 /nfs/dbraw/zinc/49/58/05/864495805.db2.gz BUKICLPPZWXDMB-QMMMGPOBSA-N 0 1 386.334 3.738 20 5 GHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H](CC(F)(F)F)c2ccc(F)cc2)s1 ZINC000123721620 864745310 /nfs/dbraw/zinc/74/53/10/864745310.db2.gz HDUNNAFUJOUJKX-JTQLQIEISA-N 0 1 398.359 3.767 20 5 GHBDMN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475306953 864746815 /nfs/dbraw/zinc/74/68/15/864746815.db2.gz WUCMFCKRTWNLRV-QFBILLFUSA-N 0 1 399.516 3.808 20 5 GHBDMN O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)c2cccnc21 ZINC000184966054 865093507 /nfs/dbraw/zinc/09/35/07/865093507.db2.gz QZLRIHYRAZCNKN-UHFFFAOYSA-N 0 1 381.772 3.736 20 5 GHBDMN Cc1c(Cl)cc(S(=O)(=O)Nc2cccc3c2ccn3C)cc1[N+](=O)[O-] ZINC000608875337 865779125 /nfs/dbraw/zinc/77/91/25/865779125.db2.gz NAAKBPGUQJTQPW-UHFFFAOYSA-N 0 1 379.825 3.849 20 5 GHBDMN COC(=O)COc1ccc(CN2CCC[C@@H]2c2cccc(C)c2)cc1[N+](=O)[O-] ZINC000475553692 866262762 /nfs/dbraw/zinc/26/27/62/866262762.db2.gz PIKKOQCPYYLIGE-GOSISDBHSA-N 0 1 384.432 3.792 20 5 GHBDMN CCn1cc(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2Cl)c([N+](=O)[O-])n1 ZINC000534204984 866267891 /nfs/dbraw/zinc/26/78/91/866267891.db2.gz KCIPYMIJZRPSHS-UHFFFAOYSA-N 0 1 399.643 3.572 20 5 GHBDMN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@@H](C)N1CCc2ccccc2C1 ZINC000475560519 866286856 /nfs/dbraw/zinc/28/68/56/866286856.db2.gz UVUWQOVUMQEDKZ-MRXNPFEDSA-N 0 1 382.464 3.780 20 5 GHBDMN C[C@@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1-n1cccn1 ZINC000183170827 866313346 /nfs/dbraw/zinc/31/33/46/866313346.db2.gz AQYOHVMEDSMTJP-CYBMUJFWSA-N 0 1 399.838 3.723 20 5 GHBDMN CCOC(=O)C[C@](C)(NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C(C)C ZINC000186697662 866696780 /nfs/dbraw/zinc/69/67/80/866696780.db2.gz STUGSGOVMGZYDA-IBGZPJMESA-N 0 1 375.425 3.707 20 5 GHBDMN O=[N+]([O-])c1ccc2[nH]c(CN[C@@H]3CCO[C@H]3c3ccc(Cl)c(F)c3)nc2c1 ZINC000444712380 867105183 /nfs/dbraw/zinc/10/51/83/867105183.db2.gz ZBZNQJUJHAUNDP-QAPCUYQASA-N 0 1 390.802 3.883 20 5 GHBDMN CC(C)C(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000743252392 868018948 /nfs/dbraw/zinc/01/89/48/868018948.db2.gz ZSRNVOFMYWVXOZ-UHFFFAOYSA-N 0 1 382.825 3.888 20 5 GHBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000743465179 868214545 /nfs/dbraw/zinc/21/45/45/868214545.db2.gz VZAMKCODLTXMFN-CQSZACIVSA-N 0 1 397.431 3.735 20 5 GHBDMN COc1cc(CN2CCS[C@@H](C)CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000190689247 882243747 /nfs/dbraw/zinc/24/37/47/882243747.db2.gz SRRFFQJUIMMPOJ-NSHDSACASA-N 0 1 394.415 3.872 20 5 GHBDMN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000524542777 869230502 /nfs/dbraw/zinc/23/05/02/869230502.db2.gz INCJMEIYURVGQF-CGZBRXJRSA-N 0 1 391.537 3.798 20 5 GHBDMN CC[C@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1ccncc1 ZINC000462341896 869260838 /nfs/dbraw/zinc/26/08/38/869260838.db2.gz QQTWTYCQTUZKQR-LBPRGKRZSA-N 0 1 390.248 3.726 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000539968457 870127226 /nfs/dbraw/zinc/12/72/26/870127226.db2.gz AGPLVBDSTCENMT-STQMWFEESA-N 0 1 375.375 3.638 20 5 GHBDMN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000446648650 870172282 /nfs/dbraw/zinc/17/22/82/870172282.db2.gz MWARMQDABZSHSG-NSHDSACASA-N 0 1 394.859 3.695 20 5 GHBDMN COc1cc(OC)cc(-c2cccc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)n2)c1 ZINC000462845916 870220787 /nfs/dbraw/zinc/22/07/87/870220787.db2.gz RIBCETSKWYDRDR-UHFFFAOYSA-N 0 1 395.371 3.632 20 5 GHBDMN CC(C)Oc1cccc([C@H](C)N[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000540327663 871029025 /nfs/dbraw/zinc/02/90/25/871029025.db2.gz SGFQULMGAPWZKX-YWZLYKJASA-N 0 1 383.448 3.838 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1CCN(CCCc2ccccc2)C1=O ZINC000539123442 871355122 /nfs/dbraw/zinc/35/51/22/871355122.db2.gz MGFDYFBFSWAJKI-LAUBAEHRSA-N 0 1 381.476 3.788 20 5 GHBDMN COC(=O)/C=C/c1ccc(NCc2ccc(F)c(CN(C)C)c2)c([N+](=O)[O-])c1 ZINC000115518912 882504545 /nfs/dbraw/zinc/50/45/45/882504545.db2.gz ZWPYOOIAINQUAS-RMKNXTFCSA-N 0 1 387.411 3.594 20 5 GHBDMN Cc1ccc([C@@H](C)NCC(=O)Nc2ccc(OC(F)F)cc2)cc1[N+](=O)[O-] ZINC000181833372 871536918 /nfs/dbraw/zinc/53/69/18/871536918.db2.gz JMFMZVKPVKPSMV-GFCCVEGCSA-N 0 1 379.363 3.794 20 5 GHBDMN C[C@@](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)(c1ccccc1)C(F)(F)F ZINC000463377372 871588573 /nfs/dbraw/zinc/58/85/73/871588573.db2.gz TZRBNTVLJUPTFJ-MRXNPFEDSA-N 0 1 378.310 3.679 20 5 GHBDMN COc1cc(CN[C@@](C)(CNC(=O)OC(C)(C)C)C(C)C)c([N+](=O)[O-])cc1F ZINC000766816304 871862089 /nfs/dbraw/zinc/86/20/89/871862089.db2.gz ZXFUFGOWRNYQMV-IBGZPJMESA-N 0 1 399.463 3.772 20 5 GHBDMN CCOc1cc(N2CCN(CC[C@H]3CCCC3(F)F)CC2)ccc1[N+](=O)[O-] ZINC001169907316 872001595 /nfs/dbraw/zinc/00/15/95/872001595.db2.gz DRVIQXPHPMSNMK-OAHLLOKOSA-N 0 1 383.439 3.941 20 5 GHBDMN COc1cc(NC[C@@H](c2ccco2)N2CCCCC2)c([N+](=O)[O-])cc1OC ZINC000766928838 872078433 /nfs/dbraw/zinc/07/84/33/872078433.db2.gz VLUYIRJZQBEDPI-INIZCTEOSA-N 0 1 375.425 3.844 20 5 GHBDMN C[C@H](C(=O)NC[C@H](c1ccco1)N1CCCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000182283048 872133417 /nfs/dbraw/zinc/13/34/17/872133417.db2.gz OVWGRWMFNDRDII-KBXCAEBGSA-N 0 1 389.427 3.774 20 5 GHBDMN CC(C)(C)OC(=O)CC[C@@H]1CCCCN1CCOc1ccccc1[N+](=O)[O-] ZINC001195384849 872381972 /nfs/dbraw/zinc/38/19/72/872381972.db2.gz GPUWELVOGPZNJI-INIZCTEOSA-N 0 1 378.469 3.950 20 5 GHBDMN O=C(CCN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)Nc1ccccn1 ZINC000540918896 872508363 /nfs/dbraw/zinc/50/83/63/872508363.db2.gz BEWSNANPZIKCOC-NRFANRHFSA-N 0 1 376.416 3.698 20 5 GHBDMN O=C(Nc1ccccc1Nc1ccncc1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000619582183 872769374 /nfs/dbraw/zinc/76/93/74/872769374.db2.gz YMSFMRBWIXZBRZ-UHFFFAOYSA-N 0 1 389.415 3.982 20 5 GHBDMN COc1cc(Cl)c(C)cc1NC(=O)CCNCc1ccc([N+](=O)[O-])cc1F ZINC000478308001 872832839 /nfs/dbraw/zinc/83/28/39/872832839.db2.gz VGCQTMNKJXNSIY-UHFFFAOYSA-N 0 1 395.818 3.823 20 5 GHBDMN O=C(NCc1cccc(COCc2ccco2)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000541174511 873060036 /nfs/dbraw/zinc/06/00/36/873060036.db2.gz PLOCPTPMNLECAN-UHFFFAOYSA-N 0 1 382.372 3.540 20 5 GHBDMN CC(C)(C)OC(=O)NCC1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000768346008 873267457 /nfs/dbraw/zinc/26/74/57/873267457.db2.gz XBPMWQFNUVYQDQ-VURMDHGXSA-N 0 1 375.469 3.845 20 5 GHBDMN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000768542009 873374956 /nfs/dbraw/zinc/37/49/56/873374956.db2.gz CKLYIMAYKFNULQ-CZUORRHYSA-N 0 1 379.457 3.568 20 5 GHBDMN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000768542009 873374965 /nfs/dbraw/zinc/37/49/65/873374965.db2.gz CKLYIMAYKFNULQ-CZUORRHYSA-N 0 1 379.457 3.568 20 5 GHBDMN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000768542009 873374973 /nfs/dbraw/zinc/37/49/73/873374973.db2.gz CKLYIMAYKFNULQ-CZUORRHYSA-N 0 1 379.457 3.568 20 5 GHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000768736214 873543504 /nfs/dbraw/zinc/54/35/04/873543504.db2.gz UCAOWRUXWKPIAO-LBPRGKRZSA-N 0 1 380.322 3.949 20 5 GHBDMN CCOc1ccccc1[C@@H](CC)NC(=O)CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001197646097 873944766 /nfs/dbraw/zinc/94/47/66/873944766.db2.gz BBVNPYJZPMDRFU-DNVCBOLYSA-N 0 1 385.464 3.912 20 5 GHBDMN Cn1cnc([N+](=O)[O-])c1CNC1(c2ccc(Br)cc2)CCCC1 ZINC000476655604 882799312 /nfs/dbraw/zinc/79/93/12/882799312.db2.gz HHZKDIBQHKNJJM-UHFFFAOYSA-N 0 1 379.258 3.650 20 5 GHBDMN Cc1cc(Cl)c([N+](=O)[O-])cc1NS(=O)(=O)c1cnc2ccsc2c1 ZINC000769630496 874176658 /nfs/dbraw/zinc/17/66/58/874176658.db2.gz KBBUNDKOMAJZEN-UHFFFAOYSA-N 0 1 383.838 3.967 20 5 GHBDMN COc1cc(CN2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)c([N+](=O)[O-])cc1F ZINC000464689360 874321523 /nfs/dbraw/zinc/32/15/23/874321523.db2.gz NGQGRYMXAQIHIZ-MRXNPFEDSA-N 0 1 397.410 3.865 20 5 GHBDMN COc1cc(CN2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)c([N+](=O)[O-])cc1F ZINC000464689360 874321537 /nfs/dbraw/zinc/32/15/37/874321537.db2.gz NGQGRYMXAQIHIZ-MRXNPFEDSA-N 0 1 397.410 3.865 20 5 GHBDMN COc1cc(CNCC2=CCOCC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000449401856 874820842 /nfs/dbraw/zinc/82/08/42/874820842.db2.gz IVBHGYGJYWASDE-UHFFFAOYSA-N 0 1 384.432 3.619 20 5 GHBDMN COc1cccc(-c2nc(C)c(C(=O)Oc3cc([N+](=O)[O-])ccc3OC)[nH]2)c1 ZINC000772643245 876059454 /nfs/dbraw/zinc/05/94/54/876059454.db2.gz MPFMPFFIKSLQQA-UHFFFAOYSA-N 0 1 383.360 3.530 20 5 GHBDMN O=[N+]([O-])c1ccc([C@H](O)CN2CCC(Oc3ccccc3Cl)CC2)cc1 ZINC000776274709 876137766 /nfs/dbraw/zinc/13/77/66/876137766.db2.gz CAWNKIZEFNTLCC-GOSISDBHSA-N 0 1 376.840 3.825 20 5 GHBDMN CCc1n[nH]c(C2CCN(Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)CC2)n1 ZINC000549996513 876283029 /nfs/dbraw/zinc/28/30/29/876283029.db2.gz HVAZCRWRNDDFHH-UHFFFAOYSA-N 0 1 383.374 3.674 20 5 GHBDMN CCc1nnc(C2CCN(Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)CC2)[nH]1 ZINC000549996513 876283034 /nfs/dbraw/zinc/28/30/34/876283034.db2.gz HVAZCRWRNDDFHH-UHFFFAOYSA-N 0 1 383.374 3.674 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000850427839 876911707 /nfs/dbraw/zinc/91/17/07/876911707.db2.gz DVHRRHVKJFUGBT-KGLIPLIRSA-N 0 1 385.420 3.972 20 5 GHBDMN Cc1cccc(S(=O)(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1Br ZINC000152153449 877086027 /nfs/dbraw/zinc/08/60/27/877086027.db2.gz UGEFIOGKEQHKCX-UHFFFAOYSA-N 0 1 389.202 3.606 20 5 GHBDMN C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451107857 877370385 /nfs/dbraw/zinc/37/03/85/877370385.db2.gz UBFDIQQIPWYBBX-QWHCGFSZSA-N 0 1 377.391 3.743 20 5 GHBDMN CC(C)CCSc1ccc(C(=O)N[C@H]2CCc3nc[nH]c3C2)cc1[N+](=O)[O-] ZINC000492793553 877572008 /nfs/dbraw/zinc/57/20/08/877572008.db2.gz PKPNDWVGQHSPFJ-AWEZNQCLSA-N 0 1 388.493 3.743 20 5 GHBDMN CC(C)(C[C@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1)C(N)=O ZINC000451216527 877594365 /nfs/dbraw/zinc/59/43/65/877594365.db2.gz MDXJPJXARFXURF-GFCCVEGCSA-N 0 1 387.402 3.727 20 5 GHBDMN Cc1ccccc1[C@@H]([C@H](C)NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)N(C)C ZINC000451267100 877681312 /nfs/dbraw/zinc/68/13/12/877681312.db2.gz NNSONUZJRONSMJ-KSFYIVLOSA-N 0 1 397.475 3.674 20 5 GHBDMN COC(=O)[C@@H](Cc1ccccc1)[C@H](C)NCc1c(Cl)cccc1[N+](=O)[O-] ZINC000551715860 877702922 /nfs/dbraw/zinc/70/29/22/877702922.db2.gz JGMYLVABVIELMK-ZFWWWQNUSA-N 0 1 376.840 3.758 20 5 GHBDMN COc1ccc2c(c1)CN(CCc1ncc(-c3cccc([N+](=O)[O-])c3)o1)CCO2 ZINC000451641056 878283018 /nfs/dbraw/zinc/28/30/18/878283018.db2.gz GLHCWYWSDNVCNT-UHFFFAOYSA-N 0 1 395.415 3.696 20 5 GHBDMN CCCCc1nc2ccc(NC(=O)COc3ccc(C=O)cc3[N+](=O)[O-])cc2[nH]1 ZINC000068309474 878291956 /nfs/dbraw/zinc/29/19/56/878291956.db2.gz WRFHQFQXECVZIP-UHFFFAOYSA-N 0 1 396.403 3.644 20 5 GHBDMN Cc1cc(C)c(N2CC[C@H](N[C@@H](C)c3ccc(N)c([N+](=O)[O-])c3)C2=O)c(C)c1 ZINC000788775307 878337022 /nfs/dbraw/zinc/33/70/22/878337022.db2.gz HPQSRGZDKVXPCO-YJBOKZPZSA-N 0 1 382.464 3.558 20 5 GHBDMN C[C@H](OC(=O)c1[nH]nc2c1CCCCC2)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000789175462 878698958 /nfs/dbraw/zinc/69/89/58/878698958.db2.gz AADPENMZIKYFIU-NSHDSACASA-N 0 1 397.391 3.555 20 5 GHBDMN CC1CCN([C@H](CNC(=O)c2cc(F)ccc2[N+](=O)[O-])c2cccs2)CC1 ZINC000068975270 879334403 /nfs/dbraw/zinc/33/44/03/879334403.db2.gz YONZFSBSDOUKBC-QGZVFWFLSA-N 0 1 391.468 3.998 20 5 GHBDMN Cc1cc([N+](=O)[O-])c(F)c(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)c1F ZINC000854483870 879845175 /nfs/dbraw/zinc/84/51/75/879845175.db2.gz JYMKHJYBTCYEJG-DZGCQCFKSA-N 0 1 389.402 3.574 20 5 GHBDMN O=C(c1ccc([N+](=O)[O-])cn1)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000531633269 880260994 /nfs/dbraw/zinc/26/09/94/880260994.db2.gz UXCZNPHBOYHODP-UHFFFAOYSA-N 0 1 394.475 3.651 20 5 GHBDMN COc1ccc([C@@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)c2ccco2)cc1 ZINC001129781080 883206637 /nfs/dbraw/zinc/20/66/37/883206637.db2.gz SQQNEJSSAVWENN-GOSISDBHSA-N 0 1 392.371 3.592 20 5 GHBDMN Cc1ccc(-c2csc(NC(=O)c3ccc4cncn4c3)n2)cc1[N+](=O)[O-] ZINC000551196856 883472296 /nfs/dbraw/zinc/47/22/96/883472296.db2.gz ATGPPEVCPCFIDW-UHFFFAOYSA-N 0 1 379.401 3.927 20 5 GHBDMN CC(C)(C)OC(=O)N1CC(CCN(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000859201787 883656616 /nfs/dbraw/zinc/65/66/16/883656616.db2.gz NTVHNNYDMDIXFD-UHFFFAOYSA-N 0 1 375.469 3.816 20 5 GHBDMN CCOc1ccc2c(c1)c(=N)c1ccc(N)cc1n2C(=O)[C@H]1C[C@]12CCCOC2 ZINC001183722950 912756992 /nfs/dbraw/zinc/75/69/92/912756992.db2.gz GPNGXCIJVMCYBD-JPYJTQIMSA-N 0 1 391.471 3.712 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2noc(CN3C[C@@H]4C[C@@H](c5ccccc5)[C@@H]4C3)n2)c1 ZINC000859931246 884181862 /nfs/dbraw/zinc/18/18/62/884181862.db2.gz NLIPPCVMTLCMFX-YTQUADARSA-N 0 1 376.416 3.880 20 5 GHBDMN O=[N+]([O-])c1ccc2[nH]c(=N[C@H](CO)c3ccc(C(F)(F)F)cc3)ccc2c1 ZINC000533914844 884540012 /nfs/dbraw/zinc/54/00/12/884540012.db2.gz OCVFHQXDFBWHKS-MRXNPFEDSA-N 0 1 377.322 3.729 20 5 GHBDMN O=[N+]([O-])c1ccc2[nH]c(=N[C@@H](CO)c3ccc(C(F)(F)F)cc3)ccc2c1 ZINC000533914841 884540645 /nfs/dbraw/zinc/54/06/45/884540645.db2.gz OCVFHQXDFBWHKS-INIZCTEOSA-N 0 1 377.322 3.729 20 5 GHBDMN Cc1nn(CN2CCC(c3ccc(N(C)C)cc3)CC2)c2ncc([N+](=O)[O-])cc12 ZINC000774689966 912859332 /nfs/dbraw/zinc/85/93/32/912859332.db2.gz SKQRSTFMHUOWQI-UHFFFAOYSA-N 0 1 394.479 3.551 20 5 GHBDMN O=C([O-])[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000263435311 884852992 /nfs/dbraw/zinc/85/29/92/884852992.db2.gz UGNSKMOLVZVCKP-SNVBAGLBSA-N 0 1 395.209 3.524 20 5 GHBDMN Cc1cc(-c2noc([C@@H]3CC(c4ccccc4[N+](=O)[O-])=NO3)n2)cc2nc[nH]c21 ZINC000762171036 885553420 /nfs/dbraw/zinc/55/34/20/885553420.db2.gz BYZVJWNEJJDODA-INIZCTEOSA-N 0 1 390.359 3.695 20 5 GHBDMN O=C1[C@@H](N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCN1Cc1ccc(F)cc1 ZINC000193353787 885670317 /nfs/dbraw/zinc/67/03/17/885670317.db2.gz KMPGFPAVBGCCKB-PMACEKPBSA-N 0 1 383.423 3.502 20 5 GHBDMN C[C@@H](CC(F)(F)F)NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809831602 887850400 /nfs/dbraw/zinc/85/04/00/887850400.db2.gz GUJRPAQKFWQDFO-YFKPBYRVSA-N 0 1 381.159 3.521 20 5 GHBDMN CCN1CCN(c2cc(N(C)C(=O)C[C@@H]3CC[C@@H](C)C3)cc([N+](=O)[O-])c2)CC1 ZINC001132279991 888532045 /nfs/dbraw/zinc/53/20/45/888532045.db2.gz YIXHWGSBUCNONS-IAGOWNOFSA-N 0 1 388.512 3.526 20 5 GHBDMN COc1cccc([C@@H](CNC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)N(C)C)c1 ZINC000496306370 888698551 /nfs/dbraw/zinc/69/85/51/888698551.db2.gz RQKMINWPYNLWFS-HXUWFJFHSA-N 0 1 399.491 3.934 20 5 GHBDMN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CN[C@H]1CCN(c2ncccc2F)C1 ZINC000811484725 889636165 /nfs/dbraw/zinc/63/61/65/889636165.db2.gz IBMOGGXRWHKMCD-LBPRGKRZSA-N 0 1 385.226 3.804 20 5 GHBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000795106540 890297812 /nfs/dbraw/zinc/29/78/12/890297812.db2.gz XPQKCTWUUVAJTQ-INMHGKMJSA-N 0 1 375.469 3.987 20 5 GHBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000795106541 890298322 /nfs/dbraw/zinc/29/83/22/890298322.db2.gz XPQKCTWUUVAJTQ-VYDXJSESSA-N 0 1 375.469 3.987 20 5 GHBDMN CC[C@H](C)N1CCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)CC1 ZINC000455354880 890812810 /nfs/dbraw/zinc/81/28/10/890812810.db2.gz MUVUZXZTYLXUPN-NSHDSACASA-N 0 1 399.289 3.614 20 5 GHBDMN C[C@H]1CCC[N@@H+](CCNc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000917069032 890989154 /nfs/dbraw/zinc/98/91/54/890989154.db2.gz JFDDQGQRBWIAMN-JTQLQIEISA-N 0 1 376.335 3.666 20 5 GHBDMN C[C@H](N[C@@H](C)c1ccc(C(F)(F)F)nc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000871934272 891090998 /nfs/dbraw/zinc/09/09/98/891090998.db2.gz FUTLKFBFRBMIGP-QWRGUYRKSA-N 0 1 382.342 3.686 20 5 GHBDMN C[C@@H](N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(C(F)(F)F)nc1 ZINC000871934259 891091087 /nfs/dbraw/zinc/09/10/87/891091087.db2.gz FUTLKFBFRBMIGP-MNOVXSKESA-N 0 1 382.342 3.686 20 5 GHBDMN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H](C)Cn1ncc2ccccc2c1=O ZINC000872053708 891132240 /nfs/dbraw/zinc/13/22/40/891132240.db2.gz ZIHWFSDODRSDIA-ZIAGYGMSSA-N 0 1 398.488 3.766 20 5 GHBDMN COc1ccc(OC)c([C@H](O)[C@@H](C)N[C@@H](C)c2c(F)cccc2[N+](=O)[O-])c1 ZINC000872138253 891180658 /nfs/dbraw/zinc/18/06/58/891180658.db2.gz UQOBYNYTYNGLBV-AVCJSFLBSA-N 0 1 378.400 3.524 20 5 GHBDMN CC(C)[C@@H](c1ccccc1)N(C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000497406380 891521448 /nfs/dbraw/zinc/52/14/48/891521448.db2.gz FVPOOVNBKGLFBR-FQEVSTJZSA-N 0 1 385.420 3.591 20 5 GHBDMN O=C(NCc1n[nH]c(-c2ccccc2)n1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000813432899 891611440 /nfs/dbraw/zinc/61/14/40/891611440.db2.gz XKAYHOGRPSTLDJ-UHFFFAOYSA-N 0 1 392.202 3.617 20 5 GHBDMN O=C(NCc1nc(-c2ccccc2)n[nH]1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000813432899 891611444 /nfs/dbraw/zinc/61/14/44/891611444.db2.gz XKAYHOGRPSTLDJ-UHFFFAOYSA-N 0 1 392.202 3.617 20 5 GHBDMN CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1CNCc1ccc([N+](=O)[O-])cc1Cl ZINC000813788345 891974628 /nfs/dbraw/zinc/97/46/28/891974628.db2.gz GUSZZZZEVHFKAK-JSGCOSHPSA-N 0 1 387.839 3.685 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2ncn(CN3CCC(Cc4cccc(F)c4)CC3)n2)cc1 ZINC000917472554 892065278 /nfs/dbraw/zinc/06/52/78/892065278.db2.gz RKZDBBQHIWBJMU-UHFFFAOYSA-N 0 1 395.438 3.905 20 5 GHBDMN Cc1ccccc1[C@@H](C)CC(=O)Nc1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC001134197063 892459392 /nfs/dbraw/zinc/45/93/92/892459392.db2.gz BNANYVLJWNAELI-KRWDZBQOSA-N 0 1 396.491 3.787 20 5 GHBDMN Cc1n[nH]c2cc(NS(=O)(=O)c3cc(Cl)c(C)c([N+](=O)[O-])c3)ccc12 ZINC000536699587 893571503 /nfs/dbraw/zinc/57/15/03/893571503.db2.gz HXLZOQCANUMROI-UHFFFAOYSA-N 0 1 380.813 3.542 20 5 GHBDMN Cc1[nH]nc2cc(NS(=O)(=O)c3cc(Cl)c(C)c([N+](=O)[O-])c3)ccc12 ZINC000536699587 893571543 /nfs/dbraw/zinc/57/15/43/893571543.db2.gz HXLZOQCANUMROI-UHFFFAOYSA-N 0 1 380.813 3.542 20 5 GHBDMN CN(C)[C@H](CNC(=O)CCc1cc(F)ccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC001137122998 893728531 /nfs/dbraw/zinc/72/85/31/893728531.db2.gz BHKDDIRLWWCIIF-GOSISDBHSA-N 0 1 393.846 3.739 20 5 GHBDMN O=C(OCCc1cc2cc(Br)ccc2o1)c1ccc([N+](=O)[O-])[nH]1 ZINC000918526619 893850368 /nfs/dbraw/zinc/85/03/68/893850368.db2.gz OAJBNWVZURKIKQ-UHFFFAOYSA-N 0 1 379.166 3.831 20 5 GHBDMN COc1cc(CN2C[C@@H]3C[C@H]2CS3)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000459778765 894180125 /nfs/dbraw/zinc/18/01/25/894180125.db2.gz ZLKZODFSJFUTBF-ROUUACIJSA-N 0 1 386.473 3.872 20 5 GHBDMN C[C@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1Cl ZINC000537114743 894364884 /nfs/dbraw/zinc/36/48/84/894364884.db2.gz GELGIVOTXORDIO-WCQYABFASA-N 0 1 385.247 3.992 20 5 GHBDMN O=C(N[C@@H]1CCCOc2cc(Cl)ccc21)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000537271759 894683353 /nfs/dbraw/zinc/68/33/53/894683353.db2.gz ADOVWMUTBZWBBZ-CQSZACIVSA-N 0 1 386.795 3.768 20 5 GHBDMN Cc1sc(C(=O)Nc2ccc3oc(CN4CCCC4)nc3c2)cc1[N+](=O)[O-] ZINC000816766446 895061484 /nfs/dbraw/zinc/06/14/84/895061484.db2.gz WQRYTWFCVWQYIJ-UHFFFAOYSA-N 0 1 386.433 3.954 20 5 GHBDMN C[C@]1(CNCc2cc([N+](=O)[O-])ccc2OC(F)F)OCCc2sccc21 ZINC000564689442 895184362 /nfs/dbraw/zinc/18/43/62/895184362.db2.gz KBLWABKWWJRUPB-QGZVFWFLSA-N 0 1 384.404 3.835 20 5 GHBDMN O=C(Nc1cccc(-c2nnc[nH]2)c1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000565412697 895608270 /nfs/dbraw/zinc/60/82/70/895608270.db2.gz LFPPXSVQWXQRHM-UHFFFAOYSA-N 0 1 377.282 3.651 20 5 GHBDMN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1[nH]c(-c2cccc(OC)c2)nc1C ZINC000819998252 897104867 /nfs/dbraw/zinc/10/48/67/897104867.db2.gz BTKCEQJMWWHGBL-UHFFFAOYSA-N 0 1 396.403 3.953 20 5 GHBDMN C[C@H](N[C@@H]1CC2(CCOCC2)Oc2ccccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000883385042 897546953 /nfs/dbraw/zinc/54/69/53/897546953.db2.gz DFFPPBPJEMXLJK-KBXCAEBGSA-N 0 1 383.448 3.901 20 5 GHBDMN O=c1ccc([N+](=O)[O-])cn1CCN[C@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000568683055 898032046 /nfs/dbraw/zinc/03/20/46/898032046.db2.gz IIULBVXKMICCCT-KRWDZBQOSA-N 0 1 382.247 3.804 20 5 GHBDMN Cc1cc([N+](=O)[O-])c(F)c(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)c1F ZINC000821786408 898073242 /nfs/dbraw/zinc/07/32/42/898073242.db2.gz ZMWRWHXAUKAJBR-OAHLLOKOSA-N 0 1 389.402 3.576 20 5 GHBDMN CCCc1c(Nc2nc3ccccn3c2[N+](=O)[O-])cnn1-c1cc(C)ccn1 ZINC001186053360 914285228 /nfs/dbraw/zinc/28/52/28/914285228.db2.gz CECGIKXZYQKOLK-UHFFFAOYSA-N 0 1 377.408 3.828 20 5 GHBDMN C[C@@H](Sc1nnc(C(C)(C)C)[nH]1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000012256926 898872092 /nfs/dbraw/zinc/87/20/92/898872092.db2.gz MIYUMOFLZSWFOB-MRVPVSSYSA-N 0 1 383.861 3.783 20 5 GHBDMN Cc1ccc([C@H](CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)N2CCCC2)o1 ZINC000570151650 899159720 /nfs/dbraw/zinc/15/97/20/899159720.db2.gz AYCGDGWSYALIAX-SFHVURJKSA-N 0 1 385.464 3.727 20 5 GHBDMN CCN(CC)[C@H](CNC(=O)c1c(F)c(C)cc([N+](=O)[O-])c1F)c1ccco1 ZINC000824244459 899489535 /nfs/dbraw/zinc/48/95/35/899489535.db2.gz ICYOHYQCBXRJIB-CYBMUJFWSA-N 0 1 381.379 3.587 20 5 GHBDMN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC000843904958 900319405 /nfs/dbraw/zinc/31/94/05/900319405.db2.gz TUIMGEOQQVQALK-OAHLLOKOSA-N 0 1 385.439 3.636 20 5 GHBDMN O=C(Nc1cccc(CN2CCSCC2)c1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000067991863 901072725 /nfs/dbraw/zinc/07/27/25/901072725.db2.gz VXXPCQQGARBRJB-UHFFFAOYSA-N 0 1 393.415 3.674 20 5 GHBDMN COC(=O)c1cccc(NC2CCN(C/C=C\c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000575368082 901217465 /nfs/dbraw/zinc/21/74/65/901217465.db2.gz SWQYSPVKDSYMBL-YVMONPNESA-N 0 1 395.459 3.971 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N2CCn3c(cc4cc(Cl)ccc43)C2)c1[N+](=O)[O-] ZINC000575973148 901542383 /nfs/dbraw/zinc/54/23/83/901542383.db2.gz MYAOYNAOOWQISS-UHFFFAOYSA-N 0 1 387.827 3.705 20 5 GHBDMN COC1CCN(C(C)(C)CN[C@@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)CC1 ZINC000576352059 901968588 /nfs/dbraw/zinc/96/85/88/901968588.db2.gz JXEFZIIKLAFQNN-INIZCTEOSA-N 0 1 389.418 3.677 20 5 GHBDMN C[C@H](CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)N1CCC(C)CC1 ZINC000576901867 902347328 /nfs/dbraw/zinc/34/73/28/902347328.db2.gz BVVHREAQUSXIDQ-MRXNPFEDSA-N 0 1 377.488 3.532 20 5 GHBDMN O=C(CCNC1(c2nccs2)CCCC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000129106700 902763619 /nfs/dbraw/zinc/76/36/19/902763619.db2.gz ZOAMYPDOWGJMNN-UHFFFAOYSA-N 0 1 378.429 3.578 20 5 GHBDMN Cc1c([C@@H](C)N[C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cccc1[N+](=O)[O-] ZINC000133797735 903422634 /nfs/dbraw/zinc/42/26/34/903422634.db2.gz IALUMQXNKYUVFF-LSDHHAIUSA-N 0 1 391.493 3.565 20 5 GHBDMN C[C@H](c1ccncc1)N1CCC(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000139616093 903923101 /nfs/dbraw/zinc/92/31/01/903923101.db2.gz KCUAKYREEFOOFL-CYBMUJFWSA-N 0 1 388.855 3.599 20 5 GHBDMN CC(C)(C)OC(=O)NCC[C@H]1CCCN(Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000801555259 921128081 /nfs/dbraw/zinc/12/80/81/921128081.db2.gz IPZBWSKDDZUMIO-CQSZACIVSA-N 0 1 381.448 3.861 20 5 GHBDMN Cc1cc([C@H]2CCCN2C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)no1 ZINC001173010696 906086664 /nfs/dbraw/zinc/08/66/64/906086664.db2.gz XVLSOKBSHOPVEC-GOSISDBHSA-N 0 1 392.406 3.975 20 5 GHBDMN O=C1CCN(C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)[C@@H]2CCCC[C@H]12 ZINC001173010552 906086750 /nfs/dbraw/zinc/08/67/50/906086750.db2.gz USSRAWANFSAVSR-MAUKXSAKSA-N 0 1 393.434 3.675 20 5 GHBDMN O=[N+]([O-])c1cc(F)c(N2CCC(N3CCOc4ccccc4C3)CC2)c(F)c1 ZINC001173013151 906089813 /nfs/dbraw/zinc/08/98/13/906089813.db2.gz NSQFCDRXBKHANU-UHFFFAOYSA-N 0 1 389.402 3.736 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N[C@H](c2ncccc2F)C2CC2)c1F ZINC001173178097 906257025 /nfs/dbraw/zinc/25/70/25/906257025.db2.gz HKKQNNXNWWSYTL-ZMZPIMSZSA-N 0 1 377.391 3.949 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CCC3(CCC(=O)CC3)CC2)c1F ZINC001173191305 906273613 /nfs/dbraw/zinc/27/36/13/906273613.db2.gz BRBCSJQXGYPCKF-AWEZNQCLSA-N 0 1 378.444 3.899 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CC[C@H](CC(=O)OC(C)(C)C)C2)c1F ZINC001173191292 906274158 /nfs/dbraw/zinc/27/41/58/906274158.db2.gz BJZQDJZNQYTWME-UONOGXRCSA-N 0 1 396.459 3.727 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N(C)Cc2cccc(OC)c2OC)c1F ZINC001173193435 906277007 /nfs/dbraw/zinc/27/70/07/906277007.db2.gz SDNGBKWOMMFGDE-CYBMUJFWSA-N 0 1 392.427 3.823 20 5 GHBDMN C[C@H](CNCc1c(Br)cccc1[N+](=O)[O-])N(C)c1ccccc1 ZINC001177261557 908505899 /nfs/dbraw/zinc/50/58/99/908505899.db2.gz GGBIADQMEFPRLK-CYBMUJFWSA-N 0 1 378.270 3.972 20 5 GHBDMN CC(C)(NCc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000191691153 908658985 /nfs/dbraw/zinc/65/89/85/908658985.db2.gz PQTDAQSCYZBDDO-UHFFFAOYSA-N 0 1 397.353 3.617 20 5 GHBDMN CCOC(=O)[C@]1(C(C)C)CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000194864119 908933962 /nfs/dbraw/zinc/93/39/62/908933962.db2.gz VWPJTQZGKGFGAY-HXUWFJFHSA-N 0 1 387.436 3.661 20 5 GHBDMN CCC(CC)N(CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O)C1CC1 ZINC000795413878 910264140 /nfs/dbraw/zinc/26/41/40/910264140.db2.gz WQFMMBATNJIPFC-UHFFFAOYSA-N 0 1 396.285 3.924 20 5 GHBDMN CCOc1ccc([C@@H](C)N[C@@H]2CCN(C3CCCCC3)C2=O)cc1[N+](=O)[O-] ZINC000090464541 910361043 /nfs/dbraw/zinc/36/10/43/910361043.db2.gz GXRHUVKXSOMPIT-RHSMWYFYSA-N 0 1 375.469 3.578 20 5 GHBDMN C[C@H](NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1OCCc2sccc21 ZINC000795481900 910610274 /nfs/dbraw/zinc/61/02/74/910610274.db2.gz JTXNUTAQQDSGFG-BTDLBPIBSA-N 0 1 395.868 3.540 20 5 GHBDMN C[C@H](NCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])[C@H]1OCCc2sccc21 ZINC000795482852 910621362 /nfs/dbraw/zinc/62/13/62/910621362.db2.gz SNIOBATZCWZSJI-DYZYQPBXSA-N 0 1 395.868 3.540 20 5 GHBDMN CCc1ccc2c(c1)CCN(C(=O)c1cc(-c3ccc([N+](=O)[O-])cc3)[nH]n1)C2 ZINC001181486321 910816512 /nfs/dbraw/zinc/81/65/12/910816512.db2.gz KKCOSVLSXUMUTO-UHFFFAOYSA-N 0 1 376.416 3.746 20 5 GHBDMN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1ccc(Br)cc1O)CC2 ZINC000773988580 911236291 /nfs/dbraw/zinc/23/62/91/911236291.db2.gz IEWJWKYROKZESH-UHFFFAOYSA-N 0 1 377.194 3.574 20 5 GHBDMN COc1cc(-c2noc(-c3[nH]cnc3[N+](=O)[O-])n2)ccc1OCc1ccccc1 ZINC001212893157 911370018 /nfs/dbraw/zinc/37/00/18/911370018.db2.gz OUOXMBSOJARSPN-UHFFFAOYSA-N 0 1 393.359 3.623 20 5 GHBDMN Cc1ccc2c(=O)c3cccc(CC(=O)N(C)CCN4CCCC4)c3oc2c1C ZINC001182507597 911817111 /nfs/dbraw/zinc/81/71/11/911817111.db2.gz RKBOUHSCVSCESX-UHFFFAOYSA-N 0 1 392.499 3.660 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N[C@H](Cc2ccccc2)C2CC2)c1 ZINC001186921970 914902876 /nfs/dbraw/zinc/90/28/76/914902876.db2.gz RDCREGYIRKIUNW-OAHLLOKOSA-N 0 1 398.843 3.687 20 5 GHBDMN Cc1ccc(CC[C@H](C)NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)o1 ZINC001187397052 915218799 /nfs/dbraw/zinc/21/87/99/915218799.db2.gz MWFUUIBPWSCLMG-VIFPVBQESA-N 0 1 390.820 3.588 20 5 GHBDMN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCC[C@@H](c2cc(C(C)C)n[nH]2)C1 ZINC001187519248 915326886 /nfs/dbraw/zinc/32/68/86/915326886.db2.gz WYKVMUXHDUOKBM-CQSZACIVSA-N 0 1 386.452 3.920 20 5 GHBDMN CCC1(CC)[C@H](N(C)CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1OC ZINC001191744142 918193026 /nfs/dbraw/zinc/19/30/26/918193026.db2.gz ZDAHOOFPKRXIBF-CVEARBPZSA-N 0 1 383.876 3.712 20 5 GHBDMN CC[C@](C)(NCCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1nc(C)cs1 ZINC000298736826 920867176 /nfs/dbraw/zinc/86/71/76/920867176.db2.gz VRCRIBRKYYHBPX-SFHVURJKSA-N 0 1 392.481 3.612 20 5 GHBDMN CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@@H+](Cc3cc([O-])ccc3[N+](=O)[O-])C2)C1 ZINC000802660785 922320630 /nfs/dbraw/zinc/32/06/30/922320630.db2.gz WGXUGGCPZLXAHK-HXUWFJFHSA-N 0 1 391.468 3.523 20 5 GHBDMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000902916224 922599238 /nfs/dbraw/zinc/59/92/38/922599238.db2.gz LBYHSJJPAJDZCY-MRXNPFEDSA-N 0 1 397.479 3.538 20 5 GHBDMN Cc1c(C(=O)Nc2cccc3c2CN(C2CC2)C3)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000368818520 922894826 /nfs/dbraw/zinc/89/48/26/922894826.db2.gz QCLNZDNEYWFRNM-UHFFFAOYSA-N 0 1 382.376 3.542 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2nnc(CN3CCCC[C@H]3[C@@H](O)c3ccccc3)o2)cc1 ZINC000369827941 923651548 /nfs/dbraw/zinc/65/15/48/923651548.db2.gz BHQJRMCAGHDUCD-ICSRJNTNSA-N 0 1 394.431 3.733 20 5 GHBDMN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC(c2ncc(C(F)(F)F)[nH]2)CC1 ZINC000373138527 925883081 /nfs/dbraw/zinc/88/30/81/925883081.db2.gz RPKBZRLCQGZGGH-UHFFFAOYSA-N 0 1 382.342 3.665 20 5 GHBDMN C[C@H](N[C@@H]1CCc2ccccc2OC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000374627008 927352708 /nfs/dbraw/zinc/35/27/08/927352708.db2.gz OATMTHOOPHLCRS-XJKSGUPXSA-N 0 1 380.404 3.689 20 5 GHBDMN Nc1ccc(NS(=O)(=O)c2csc3ccc(Cl)cc32)cc1[N+](=O)[O-] ZINC000751147822 928048665 /nfs/dbraw/zinc/04/86/65/928048665.db2.gz VNOIXARQBUFSRR-UHFFFAOYSA-N 0 1 383.838 3.846 20 5 GHBDMN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@@H]1c1cccc(Cl)c1 ZINC000544070449 928765576 /nfs/dbraw/zinc/76/55/76/928765576.db2.gz ZZHMQGSIHXQDFC-DLBZAZTESA-N 0 1 376.840 3.825 20 5 GHBDMN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(C)CC12CCCCC2 ZINC000467471124 929103212 /nfs/dbraw/zinc/10/32/12/929103212.db2.gz DLYYJNWKAVEMHG-HNNXBMFYSA-N 0 1 377.510 3.552 20 5 GHBDMN Cc1ccc(N(C)[C@@H]2CCCN(C(=O)c3[nH]nc4ccc([N+](=O)[O-])cc43)C2)cc1 ZINC000753047068 929175138 /nfs/dbraw/zinc/17/51/38/929175138.db2.gz DZBVHAKMTWIWCE-QGZVFWFLSA-N 0 1 393.447 3.521 20 5 GHBDMN COC(=O)COc1ccc(CN2CCCC[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000467546190 929186915 /nfs/dbraw/zinc/18/69/15/929186915.db2.gz LQWPOKUTQCFPAP-SFHVURJKSA-N 0 1 384.432 3.874 20 5 GHBDMN C[C@H](C(=O)NC[C@H](c1ccc(Cl)cc1)N(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000544564866 929292144 /nfs/dbraw/zinc/29/21/44/929292144.db2.gz KTHPEVVVZNSDBD-KPZWWZAWSA-N 0 1 393.846 3.910 20 5 GHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCc2ccc(-c3ccccc3)cc2)cc1 ZINC000544595812 929323375 /nfs/dbraw/zinc/32/33/75/929323375.db2.gz GFWMZYXGPXHJGX-UHFFFAOYSA-N 0 1 396.468 3.825 20 5 GHBDMN CCN(CC(=O)NCc1ccc(F)cc1)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000470170532 930427274 /nfs/dbraw/zinc/42/72/74/930427274.db2.gz WKXRFKDTQYDYFF-LFIBNONCSA-N 0 1 385.439 3.776 20 5 GHBDMN O=C(OCc1nc2ccc(Br)cc2[nH]1)c1csc([N+](=O)[O-])c1 ZINC000780532762 930542888 /nfs/dbraw/zinc/54/28/88/930542888.db2.gz RDONEKVZBONIJY-UHFFFAOYSA-N 0 1 382.195 3.652 20 5 GHBDMN O=C(Nc1nc(-c2cccs2)n[nH]1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000780588236 930553894 /nfs/dbraw/zinc/55/38/94/930553894.db2.gz VNPIKTBIVBRXOQ-UHFFFAOYSA-N 0 1 387.424 3.780 20 5 GHBDMN CN(C)Cc1cc(-c2noc(CCCNc3ccc([N+](=O)[O-])cc3)n2)ccc1F ZINC000547165994 930753719 /nfs/dbraw/zinc/75/37/19/930753719.db2.gz VBNMEGKFGQEGNI-UHFFFAOYSA-N 0 1 399.426 3.890 20 5 GHBDMN Cc1ccc([C@H]2C[C@H](C)[N@H+](Cn3cnc(-c4cccc([N+](=O)[O-])c4)n3)C2)cc1 ZINC000782954718 931374342 /nfs/dbraw/zinc/37/43/42/931374342.db2.gz NTXOHGKCDGGMTQ-LPHOPBHVSA-N 0 1 377.448 3.997 20 5 GHBDMN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(Cc3csc([N+](=O)[O-])c3)C[C@@H]21 ZINC000784517017 931921840 /nfs/dbraw/zinc/92/18/40/931921840.db2.gz PIQNBPBSEJSPSZ-QLFBSQMISA-N 0 1 381.498 3.782 20 5 GHBDMN COc1cc(CN2CCC[C@@H](CCNC(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000799358661 932967159 /nfs/dbraw/zinc/96/71/59/932967159.db2.gz NUJCSWFVVGCUNC-HNNXBMFYSA-N 0 1 393.484 3.730 20 5 GHBDMN CC(C)(C)OC(=O)NCC[C@H]1CCCN(Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000799360704 932969850 /nfs/dbraw/zinc/96/98/50/932969850.db2.gz ODEHTCMWPGUSLX-CQSZACIVSA-N 0 1 381.448 3.861 20 5 GHBDMN CC[C@H](C)NC(=O)c1ccc(NCc2cc(OC)c(O)c([N+](=O)[O-])c2)c(C)c1 ZINC000559998846 933007544 /nfs/dbraw/zinc/00/75/44/933007544.db2.gz FYJMZOKNMMAVTN-ZDUSSCGKSA-N 0 1 387.436 3.758 20 5 GHBDMN C[C@@H](CC(=O)OC(C)(C)C)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001116475236 933580756 /nfs/dbraw/zinc/58/07/56/933580756.db2.gz XOBVGAVJAQNRCX-LBPRGKRZSA-N 0 1 377.466 3.928 20 5 GHBDMN O=C(NC1CCN(Cc2ccc(F)cc2)CC1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001119767381 934393238 /nfs/dbraw/zinc/39/32/38/934393238.db2.gz VHCZPHPTYDPFEP-LEWJYISDSA-N 0 1 397.450 3.618 20 5 GHBDMN O=C([O-])[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1c1ccc(F)cc1F ZINC001334794909 961831430 /nfs/dbraw/zinc/83/14/30/961831430.db2.gz WBKKQEGLMVKGIV-LSDHHAIUSA-N 0 1 396.777 3.827 20 5 GHBDMN CCc1ccc([C@H](NCCc2cn3c(n2)SCC3)c2ccc([N+](=O)[O-])cc2)o1 ZINC000468039764 1015180715 /nfs/dbraw/zinc/18/07/15/1015180715.db2.gz DHSXVUQOOUSVOB-LJQANCHMSA-N 0 1 398.488 3.974 20 5 GHBDMN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc2nc(N(C)C)[nH]c2c1 ZINC000468051553 1015196095 /nfs/dbraw/zinc/19/60/95/1015196095.db2.gz VVKXFYRVVZQXSD-LLVKDONJSA-N 0 1 385.449 3.656 20 5 GHBDMN CCc1ccc(C[N@@H+](Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)C2CC2)cc1 ZINC001597526116 988170335 /nfs/dbraw/zinc/17/03/35/988170335.db2.gz LOVIUOJFQXUZEG-UHFFFAOYSA-N 0 1 384.432 3.785 20 5 GHBDMN CC(C)(C(=O)N[C@H]1CCCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000545149237 1015586605 /nfs/dbraw/zinc/58/66/05/1015586605.db2.gz ORZYGABOWDLWEA-KRWDZBQOSA-N 0 1 399.466 3.792 20 5 GHBDMN C[N@@H+](Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC001598507878 992530429 /nfs/dbraw/zinc/53/04/29/992530429.db2.gz WBXIRBONQLMVON-PKOBYXMFSA-N 0 1 388.395 3.784 20 5 GHBDMN CC(C)N(Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001591596780 992825415 /nfs/dbraw/zinc/82/54/15/992825415.db2.gz PKBKPLAOHGGKTH-FQEVSTJZSA-N 0 1 397.475 3.778 20 5 GHBDMN C[C@@H]([NH2+]Cc1cc(C(=O)[O-])ccc1Br)c1cccc([N+](=O)[O-])c1 ZINC001593289355 994661931 /nfs/dbraw/zinc/66/19/31/994661931.db2.gz QYDDKUTYYNLYBR-SNVBAGLBSA-N 0 1 379.210 3.906 20 5 GHBDMN C[C@@H]1CN(Cc2ccc(-c3nc(-c4ccc([N+](=O)[O-])cc4)no3)cc2)C[C@H](C)O1 ZINC000545552622 1016028123 /nfs/dbraw/zinc/02/81/23/1016028123.db2.gz OUULBGYMQPRIQI-GASCZTMLSA-N 0 1 394.431 3.921 20 5 GHBDMN COc1cc(F)ccc1-c1noc(-c2cc(-c3cccc([N+](=O)[O-])c3)n[nH]2)n1 ZINC001212995438 1032289966 /nfs/dbraw/zinc/28/99/66/1032289966.db2.gz ZKOQGRYBSZYYAC-UHFFFAOYSA-N 0 1 381.323 3.850 20 5 GHBDMN COc1cnccc1CCNC(=O)[C@@H](N)Cc1c2ccccc2cc2ccccc21 ZINC001221338833 1032383088 /nfs/dbraw/zinc/38/30/88/1032383088.db2.gz UNVQKMJXYLPQMT-QHCPKHFHSA-N 0 1 399.494 3.625 20 5 GHBDMN CC(=O)N1CCC(Oc2ccc3c(c2)oc2c3c(=O)oc3cc(O)ccc23)CC1 ZINC001227516393 1032449195 /nfs/dbraw/zinc/44/91/95/1032449195.db2.gz CGZWELYMADQGBZ-UHFFFAOYSA-N 0 1 393.395 3.788 20 5 GHBDMN CC(C)(C(=O)N[C@H]1CCCN(Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000560083659 1017542633 /nfs/dbraw/zinc/54/26/33/1017542633.db2.gz OTISOTZYXVTYQY-SFHVURJKSA-N 0 1 381.476 3.653 20 5 GHBDMN COc1cc(CN2CCC(CCCn3ccnc3)CC2)c([N+](=O)[O-])cc1OC ZINC000576623903 1020046563 /nfs/dbraw/zinc/04/65/63/1020046563.db2.gz YHXMIDYTJKKBLT-UHFFFAOYSA-N 0 1 388.468 3.501 20 5 GHBDMN CC(C)(C)OC(=O)N1CCC[C@H](CCN2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000801935945 1021456849 /nfs/dbraw/zinc/45/68/49/1021456849.db2.gz HFWSCLPQXMAYAG-MRXNPFEDSA-N 0 1 389.496 3.990 20 5 GHBDMN CC(C)(C)OC(=O)NC[C@@]1(C)CCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000802654016 1021514584 /nfs/dbraw/zinc/51/45/84/1021514584.db2.gz DQMPEBIAJVDZRQ-YHAGJJCESA-N 0 1 375.469 3.845 20 5 GHBDMN CCO[C@H]1C[C@H](N(C)Cc2ccc(O)c(OC)c2[N+](=O)[O-])C12CCCCC2 ZINC001204616430 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ZINC001292538856 1043777956 /nfs/dbraw/zinc/77/79/56/1043777956.db2.gz BTZCZSCYBWPYQT-UHFFFAOYSA-N 0 1 393.237 3.771 20 5 GHBDMN O=C(NCC1(c2c(F)cccc2F)CCCC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC001292694805 1043835639 /nfs/dbraw/zinc/83/56/39/1043835639.db2.gz FCCRYRWMQLOPOK-UHFFFAOYSA-N 0 1 376.359 3.820 20 5 GHBDMN C[C@H]1CN(CCc2nnc(-c3cc4ccc([N+](=O)[O-])cc4s3)o2)C[C@H](C)O1 ZINC001258034284 1044361383 /nfs/dbraw/zinc/36/13/83/1044361383.db2.gz HBKAFDARDIQXBI-RYUDHWBXSA-N 0 1 388.449 3.511 20 5 GHBDMN COc1cc(C)ccc1S(=O)(=O)Nc1cc2cccnc2c2ncccc12 ZINC001259205309 1045008574 /nfs/dbraw/zinc/00/85/74/1045008574.db2.gz LTYSFXXUDAPUAA-UHFFFAOYSA-N 0 1 379.441 3.901 20 5 GHBDMN CN1CCN(c2ccc([N+](=O)[O-])c(NC(=O)c3cscc3C(F)F)c2)CC1 ZINC001262813106 1046356577 /nfs/dbraw/zinc/35/65/77/1046356577.db2.gz OXZQLBTUZUFOCY-UHFFFAOYSA-N 0 1 396.419 3.598 20 5 GHBDMN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1CCC[C@H](Cc2nccs2)C1 ZINC001303769672 1047508829 /nfs/dbraw/zinc/50/88/29/1047508829.db2.gz QGIUJGGLALQCDL-CYBMUJFWSA-N 0 1 397.460 3.536 20 5 GHBDMN CN1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC001463222848 1070921587 /nfs/dbraw/zinc/92/15/87/1070921587.db2.gz LZGIJMGMCYEHNI-INIZCTEOSA-N 0 1 385.489 3.960 20 5 GHBDMN O=[N+]([O-])c1ccc(N[C@H]2CCCC[C@@H]2N2CCOCC2)nc1-c1ccccc1 ZINC001306996052 1048998076 /nfs/dbraw/zinc/99/80/76/1048998076.db2.gz YBFJORQBILXIDD-ROUUACIJSA-N 0 1 382.464 3.712 20 5 GHBDMN O=[N+]([O-])c1ccc(OCCSc2nc(-c3cc(F)cc(F)c3)n[nH]2)cc1 ZINC001307307712 1049193267 /nfs/dbraw/zinc/19/32/67/1049193267.db2.gz IDIIUVIFWQYSGW-UHFFFAOYSA-N 0 1 378.360 3.829 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1[C@H](C)C[C@H](c2ccccc2)[C@@H]1C ZINC001307804111 1049603252 /nfs/dbraw/zinc/60/32/52/1049603252.db2.gz ZDLYGVJDVRSVQA-VKJFTORMSA-N 0 1 383.448 3.808 20 5 GHBDMN C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001307817870 1049612949 /nfs/dbraw/zinc/61/29/49/1049612949.db2.gz NAPQIBDRXIKLKX-HIFRSBDPSA-N 0 1 381.448 3.717 20 5 GHBDMN CN(C)[C@@H](CNC(=O)CCc1c(Cl)cccc1[N+](=O)[O-])c1cccs1 ZINC001290125993 1049739117 /nfs/dbraw/zinc/73/91/17/1049739117.db2.gz UJWAIYCEZHLBCY-HNNXBMFYSA-N 0 1 381.885 3.661 20 5 GHBDMN COc1cc(C)c(CNCc2ccc(Br)cc2[N+](=O)[O-])cc1OC ZINC001308502737 1049991932 /nfs/dbraw/zinc/99/19/32/1049991932.db2.gz CLHQPPYGBREJIL-UHFFFAOYSA-N 0 1 395.253 3.973 20 5 GHBDMN O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3cccc(Oc4ccccn4)c3)C2)nc1 ZINC001308573459 1050015806 /nfs/dbraw/zinc/01/58/06/1050015806.db2.gz KAILJJPRXMULGN-QGZVFWFLSA-N 0 1 391.431 3.864 20 5 GHBDMN CCOc1cc(NC(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)ccc1[N+](=O)[O-] ZINC001310944394 1051722711 /nfs/dbraw/zinc/72/27/11/1051722711.db2.gz DRVZDRIZCYJFGP-KRWDZBQOSA-N 0 1 390.415 3.557 20 5 GHBDMN Cc1cc(NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)ccc1N1CCN(C)CC1 ZINC001317877046 1054287149 /nfs/dbraw/zinc/28/71/49/1054287149.db2.gz FIHRRLOVWUFFSB-INIZCTEOSA-N 0 1 397.479 3.538 20 5 GHBDMN O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])OCc1cc(C2CC2)[nH]n1 ZINC000848016299 1056411180 /nfs/dbraw/zinc/41/11/80/1056411180.db2.gz SHXYGCTUZURYRX-UHFFFAOYSA-N 0 1 398.341 3.760 20 5 GHBDMN CN1CC[C@@H](NCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H]1c1ccc(F)cc1 ZINC001323881498 1057028325 /nfs/dbraw/zinc/02/83/25/1057028325.db2.gz UWIQZHTVVIHBLA-UXHICEINSA-N 0 1 396.422 3.924 20 5 GHBDMN CN1CCN(c2ccc([N+](=O)[O-])c(NC(=O)CC/C=C/c3ccccc3)c2)CC1 ZINC001439681136 1058260401 /nfs/dbraw/zinc/26/04/01/1058260401.db2.gz UZPPEAROMNDBTL-WEVVVXLNSA-N 0 1 394.475 3.779 20 5 GHBDMN Cc1nn(-c2ccccc2)cc1NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001447533814 1059979346 /nfs/dbraw/zinc/97/93/46/1059979346.db2.gz KVGZVTNQXOCSAC-UHFFFAOYSA-N 0 1 388.387 3.731 20 5 GHBDMN CNC(=O)[C@H](CC(C)C)NCc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001341816755 1060907586 /nfs/dbraw/zinc/90/75/86/1060907586.db2.gz YILBHLKVDZPHSD-HNNXBMFYSA-N 0 1 379.844 3.759 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N2CCC(c3ccc(Cl)cn3)CC2)c1[N+](=O)[O-] ZINC001455069382 1061992078 /nfs/dbraw/zinc/99/20/78/1061992078.db2.gz QHIIKGWDBHGFDD-UHFFFAOYSA-N 0 1 377.832 3.510 20 5 GHBDMN CC(C)c1cc([C@@H]2CCCN(C(=O)c3cc(Cl)c(N)c([N+](=O)[O-])c3)C2)n[nH]1 ZINC001455464236 1062166906 /nfs/dbraw/zinc/16/69/06/1062166906.db2.gz LATIBGVRZHVEOP-LLVKDONJSA-N 0 1 391.859 3.697 20 5 GHBDMN O=C(Nc1c[nH]c2ccc(Br)cc12)c1cc(O)cc([N+](=O)[O-])c1 ZINC001455713642 1062271875 /nfs/dbraw/zinc/27/18/75/1062271875.db2.gz CVKFAAOJFFMJDT-UHFFFAOYSA-N 0 1 376.166 3.797 20 5 GHBDMN O=C(NC[C@H](c1ccco1)N1CCCCC1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001349251092 1063614099 /nfs/dbraw/zinc/61/40/99/1063614099.db2.gz RIXCZYDDIREFCE-GBESFXJTSA-N 0 1 383.448 3.635 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)NCCC2=CCCCCC2)c1 ZINC001463487820 1064398477 /nfs/dbraw/zinc/39/84/77/1064398477.db2.gz HWSOLLFECUXACX-UHFFFAOYSA-N 0 1 376.837 3.946 20 5 GHBDMN CC(C)(NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC001464342807 1064963449 /nfs/dbraw/zinc/96/34/49/1064963449.db2.gz VLNBSGXKZIJFMH-LBPRGKRZSA-N 0 1 397.280 3.528 20 5 GHBDMN COCCN(C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)[C@@H](C)c1ccccc1 ZINC001464557293 1065080998 /nfs/dbraw/zinc/08/09/98/1065080998.db2.gz TUJXWUJYRGZAOX-HNNXBMFYSA-N 0 1 394.431 3.835 20 5 GHBDMN Cc1cc(NC(=O)NCc2ccc(Nc3ccncc3)cc2)cc([N+](=O)[O-])c1 ZINC001467529116 1067344558 /nfs/dbraw/zinc/34/45/58/1067344558.db2.gz KJNPYQATMDFHIT-UHFFFAOYSA-N 0 1 377.404 3.785 20 5 GHBDMN C[C@@H]1CN(C(=O)NCc2cccc([N+](=O)[O-])c2)[C@H](C)[C@H](C)N1Cc1ccccc1 ZINC001468996799 1067948016 /nfs/dbraw/zinc/94/80/16/1067948016.db2.gz VEDNTLCBNLTIRZ-FGTMMUONSA-N 0 1 396.491 3.788 20 5 GHBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCCCC[C@@H]2CO)cc1OC ZINC001460315490 1068921458 /nfs/dbraw/zinc/92/14/58/1068921458.db2.gz RWGBEFIVKJKOMH-DOTOQJQBSA-N 0 1 380.485 3.765 20 5 GHBDMN CN(C(=O)CN1CCC2(CCc3ccccc3C2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC001460337503 1068931682 /nfs/dbraw/zinc/93/16/82/1068931682.db2.gz LNQBSNAENWBGTP-UHFFFAOYSA-N 0 1 393.487 3.829 20 5 GHBDMN Cc1cc(C(=O)N[C@H](CN(C)C)c2cccc(C(F)(F)F)c2)cc([N+](=O)[O-])c1 ZINC001470920826 1072816704 /nfs/dbraw/zinc/81/67/04/1072816704.db2.gz KQLWODQFTUZNMG-QGZVFWFLSA-N 0 1 395.381 3.955 20 5 GHBDMN O=C(Nc1nc2cc(Br)c(F)cc2[nH]1)c1ccc([N+](=O)[O-])cc1F ZINC001472313639 1073415889 /nfs/dbraw/zinc/41/58/89/1073415889.db2.gz RCLNQUUHDHWIOY-UHFFFAOYSA-N 0 1 397.135 3.764 20 5 GHBDMN CSc1cccc(C(=O)Nc2n[nH]c3nc(C(F)(F)F)ccc23)c1[N+](=O)[O-] ZINC001472384803 1073458747 /nfs/dbraw/zinc/45/87/47/1073458747.db2.gz NATUOSXLGPOPBU-UHFFFAOYSA-N 0 1 397.338 3.859 20 5 GHBDMN Nc1nccc(C(=O)Nc2ccc(-c3nc4ccc(F)cc4[nH]3)cc2)c1[N+](=O)[O-] ZINC001472505752 1073520201 /nfs/dbraw/zinc/52/02/01/1073520201.db2.gz YCSKKVKFYCQMAN-UHFFFAOYSA-N 0 1 392.350 3.507 20 5 GHBDMN C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H](C)[C@@H](C)N1Cc1ccccc1 ZINC001472821950 1073681785 /nfs/dbraw/zinc/68/17/85/1073681785.db2.gz CLHLMEBMHCIDDL-BZUAXINKSA-N 0 1 384.436 3.991 20 5 GHBDMN CCO[C@@H]1C[C@@H](N(C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C12CCCCC2 ZINC001473199183 1073852583 /nfs/dbraw/zinc/85/25/83/1073852583.db2.gz DZEVGEYFRXFRCW-RTBURBONSA-N 0 1 389.496 3.901 20 5 GHBDMN Cc1noc(CN(CCCNC(=O)OC(C)(C)C)CC2CCCC2)c1[N+](=O)[O-] ZINC001473461254 1073976517 /nfs/dbraw/zinc/97/65/17/1073976517.db2.gz QXDRRBBRHOQNPS-UHFFFAOYSA-N 0 1 396.488 3.798 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC2CC1(CNC(=O)OC(C)(C)C)C2 ZINC001473641754 1074063362 /nfs/dbraw/zinc/06/33/62/1074063362.db2.gz VBJZLTXASVAIHK-ZUIJCZDSSA-N 0 1 375.469 3.953 20 5 GHBDMN CC(C)c1cc([C@@H]2CCCN([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)[nH]n1 ZINC001473773639 1074135559 /nfs/dbraw/zinc/13/55/59/1074135559.db2.gz XEGUVPITEKVYEV-HUUCEWRRSA-N 0 1 385.468 3.648 20 5 GHBDMN COc1ccc(OCCN2Cc3ccccc3OC3(CCC3)C2)c([N+](=O)[O-])c1 ZINC001473786914 1074142405 /nfs/dbraw/zinc/14/24/05/1074142405.db2.gz RXELSZNWYFZYIC-UHFFFAOYSA-N 0 1 384.432 3.800 20 5 GHBDMN CC1(C)CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@H]1c1ccccc1 ZINC001473836411 1074166458 /nfs/dbraw/zinc/16/64/58/1074166458.db2.gz DHRGSPAMEMXLKB-HXUWFJFHSA-N 0 1 393.487 4.000 20 5 GHBDMN O=[N+]([O-])c1ccc(OCCNCc2ccc(Br)c(F)c2F)cc1 ZINC001473981303 1074225197 /nfs/dbraw/zinc/22/51/97/1074225197.db2.gz CJHLLXAHCIKGFT-UHFFFAOYSA-N 0 1 387.180 3.804 20 5 GHBDMN CC(C)(C)C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(F)(F)F ZINC001475146533 1074757361 /nfs/dbraw/zinc/75/73/61/1074757361.db2.gz WWWRMFLADNDPDU-NSHDSACASA-N 0 1 388.795 3.894 20 5 GHBDMN CC[C@H](C)[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl)C(F)(F)F ZINC001475245234 1074802463 /nfs/dbraw/zinc/80/24/63/1074802463.db2.gz MJZRFCKHORNDLL-JVXZTZIISA-N 0 1 388.795 3.812 20 5 GHBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)N[C@@H]1CCC[C@H](c2cccc(Cl)c2)C1 ZINC001475388036 1074857573 /nfs/dbraw/zinc/85/75/73/1074857573.db2.gz WJAGDHDOOBIVDW-DZGCQCFKSA-N 0 1 395.868 3.648 20 5 GHBDMN C[C@](CO)(Cc1ccccc1F)NCc1cc([N+](=O)[O-])ccc1Br ZINC001660389059 1126264484 /nfs/dbraw/zinc/26/44/84/1126264484.db2.gz KZVCEVQSZHEBPV-QGZVFWFLSA-N 0 1 397.244 3.580 20 5 GHBDMN C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830825143 604795618 /nfs/dbraw/zinc/79/56/18/604795618.db2.gz BZCUEHFPGVJQRT-OAHLLOKOSA-N 0 1 388.729 3.923 20 5 GHBDMN C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830825143 604795619 /nfs/dbraw/zinc/79/56/19/604795619.db2.gz BZCUEHFPGVJQRT-OAHLLOKOSA-N 0 1 388.729 3.923 20 5 GHBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000833552200 604950416 /nfs/dbraw/zinc/95/04/16/604950416.db2.gz XWPNRTFAVZRYEU-JSGCOSHPSA-N 0 1 388.424 3.529 20 5 GHBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000833552202 604951058 /nfs/dbraw/zinc/95/10/58/604951058.db2.gz XWPNRTFAVZRYEU-TZMCWYRMSA-N 0 1 388.424 3.529 20 5 GHBDMN CC(C)(C(=O)[O-])[C@@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccccc1 ZINC000833413906 605182906 /nfs/dbraw/zinc/18/29/06/605182906.db2.gz JRSQEEQSCZDRIM-KRWDZBQOSA-N 0 1 396.403 3.587 20 5 GHBDMN Cc1cc(Cl)c([N+](=O)[O-])c(N2CCn3c(CN(C)C(C)C)cnc3[C@@H]2C)n1 ZINC001164862367 720949538 /nfs/dbraw/zinc/94/95/38/720949538.db2.gz VEQIOSITMHDRSM-ZDUSSCGKSA-N 0 1 392.891 3.570 20 5 GHBDMN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1nnc(/C=C/c2ccco2)s1 ZINC000471102230 834378279 /nfs/dbraw/zinc/37/82/79/834378279.db2.gz WGNCEKIRSCLDNN-CMDGGOBGSA-N 0 1 386.389 3.861 20 5 GHBDMN C[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccc(Oc2cccnc2)cc1 ZINC000582009620 837770853 /nfs/dbraw/zinc/77/08/53/837770853.db2.gz RTTHTEDKSBOBLX-ZDUSSCGKSA-N 0 1 379.372 3.979 20 5 GHBDMN Cc1csc(-c2cccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c2)n1 ZINC000102321048 834904755 /nfs/dbraw/zinc/90/47/55/834904755.db2.gz SBJVIUFNWAZANG-UHFFFAOYSA-N 0 1 375.431 3.828 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2ccc(CN3CC[C@@H](Nc4ncccn4)C3)o2)c(Cl)c1 ZINC000583753915 834984408 /nfs/dbraw/zinc/98/44/08/834984408.db2.gz QUOHURIYRWAHSZ-CYBMUJFWSA-N 0 1 399.838 3.985 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CC[C@@H](Cc2ccccc2)[C@@H]1C ZINC000472333336 835048059 /nfs/dbraw/zinc/04/80/59/835048059.db2.gz BWJGSUKPZRKVDQ-BQFCYCMXSA-N 0 1 397.475 3.884 20 5 GHBDMN CN(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000278552033 835379507 /nfs/dbraw/zinc/37/95/07/835379507.db2.gz ZJHGCRNYYVTSKV-APWZRJJASA-N 0 1 389.383 3.994 20 5 GHBDMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000248557591 835761374 /nfs/dbraw/zinc/76/13/74/835761374.db2.gz LYAULXUTPQPDOF-XKQJLSEDSA-N 0 1 385.420 3.510 20 5 GHBDMN C[C@@H](N[C@@H](C)c1cccc(OC(F)F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000179578812 835883784 /nfs/dbraw/zinc/88/37/84/835883784.db2.gz QXYRBPFUMQGVCC-NWDGAFQWSA-N 0 1 379.363 3.874 20 5 GHBDMN COc1c(F)cc(S(=O)(=O)Nc2ccccc2NC(C)(C)C)cc1[N+](=O)[O-] ZINC000410404106 835936074 /nfs/dbraw/zinc/93/60/74/835936074.db2.gz USNSMGPNFVDNCW-UHFFFAOYSA-N 0 1 397.428 3.754 20 5 GHBDMN Cc1nn(Cc2ccc(C(=O)Nc3ccc4nc[nH]c4c3)cc2)c(C)c1[N+](=O)[O-] ZINC000511333593 835943083 /nfs/dbraw/zinc/94/30/83/835943083.db2.gz LVPWNTNLQGDKSP-UHFFFAOYSA-N 0 1 390.403 3.585 20 5 GHBDMN CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@]1(c2ccccc2)CCCCC1=O ZINC000411599702 836228871 /nfs/dbraw/zinc/22/88/71/836228871.db2.gz CIMDEVRKUHFLGC-JOCHJYFZSA-N 0 1 395.459 3.894 20 5 GHBDMN CCC[N@@H+](C)[C@@H](CNc1nc(C(=O)[O-])ccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000582124774 836232673 /nfs/dbraw/zinc/23/26/73/836232673.db2.gz SOYXJWJDPAZIKK-INIZCTEOSA-N 0 1 392.843 3.836 20 5 GHBDMN COC[C@H](N[C@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1)C1CC1 ZINC000136671354 836297068 /nfs/dbraw/zinc/29/70/68/836297068.db2.gz HLQIBMRPVGTTHY-ICSRJNTNSA-N 0 1 383.448 3.598 20 5 GHBDMN CCOc1cc(N2CCN(C[C@H](OC)c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000549034851 836554623 /nfs/dbraw/zinc/55/46/23/836554623.db2.gz OJFKYIBOGZWJKF-NRFANRHFSA-N 0 1 385.464 3.503 20 5 GHBDMN O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1NCc1nccc(C(F)(F)F)n1 ZINC000414235880 836673431 /nfs/dbraw/zinc/67/34/31/836673431.db2.gz HNWWKKUEJOVCGY-JSGCOSHPSA-N 0 1 380.370 3.905 20 5 GHBDMN O=C(CCN[C@@H](c1ccccc1)c1ccccn1)Nc1cc([N+](=O)[O-])ccc1F ZINC000128969993 844201776 /nfs/dbraw/zinc/20/17/76/844201776.db2.gz LXLSNEJZQLLSKJ-NRFANRHFSA-N 0 1 394.406 3.837 20 5 GHBDMN Cc1cc(OCC(=O)Nc2ccc3nc([C@@H]4CCCO4)[nH]c3c2)ccc1[N+](=O)[O-] ZINC000430392246 836945732 /nfs/dbraw/zinc/94/57/32/836945732.db2.gz IOSLHMAUHRAPCB-SFHVURJKSA-N 0 1 396.403 3.649 20 5 GHBDMN C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180430950 837252189 /nfs/dbraw/zinc/25/21/89/837252189.db2.gz BQYSHEUXCZALHP-QWHCGFSZSA-N 0 1 377.391 3.743 20 5 GHBDMN CCOc1ccccc1[C@@H](CC)NC(=O)CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180438750 837257842 /nfs/dbraw/zinc/25/78/42/837257842.db2.gz IMCLNXBAXXULIA-DNVCBOLYSA-N 0 1 385.464 3.912 20 5 GHBDMN Cc1cccnc1[C@@H](NCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C(C)C ZINC000120906931 837349877 /nfs/dbraw/zinc/34/98/77/837349877.db2.gz WHHXUVJVEXOUPW-KRWDZBQOSA-N 0 1 376.844 3.877 20 5 GHBDMN CCOc1ccc(NC(=O)CN[C@H](C)c2ccc(C)c(F)c2)c([N+](=O)[O-])c1 ZINC000181369348 838014521 /nfs/dbraw/zinc/01/45/21/838014521.db2.gz XAEIFZDJAQUCIZ-CYBMUJFWSA-N 0 1 375.400 3.730 20 5 GHBDMN CC(C)(COCc1ccccc1)NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000500957541 844312106 /nfs/dbraw/zinc/31/21/06/844312106.db2.gz LVPWCURQFXWUSU-UHFFFAOYSA-N 0 1 391.855 3.772 20 5 GHBDMN COc1ccc(NC(=O)[C@@H](C)N[C@H](C)c2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000129242187 844446035 /nfs/dbraw/zinc/44/60/35/844446035.db2.gz NVQWIDJARFXPIP-VXGBXAGGSA-N 0 1 377.828 3.935 20 5 GHBDMN Cc1ccc2nc([C@H]3CCCN(C(=O)Cc4ccccc4[N+](=O)[O-])C3)[nH]c2c1 ZINC000120184616 839746766 /nfs/dbraw/zinc/74/67/66/839746766.db2.gz ORCSSVMQGVLQQP-INIZCTEOSA-N 0 1 378.432 3.728 20 5 GHBDMN Cc1[nH]nc2cc(NC(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)ccc12 ZINC000535817684 844539342 /nfs/dbraw/zinc/53/93/42/844539342.db2.gz DJXKYRPMLZOPKM-UHFFFAOYSA-N 0 1 379.420 3.635 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000511856633 840966125 /nfs/dbraw/zinc/96/61/25/840966125.db2.gz YUDWKBTXDTVHRM-GGPKGHCWSA-N 0 1 395.459 3.810 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000511856633 840966132 /nfs/dbraw/zinc/96/61/32/840966132.db2.gz YUDWKBTXDTVHRM-GGPKGHCWSA-N 0 1 395.459 3.810 20 5 GHBDMN COC(=O)[C@H](NCc1cc(O)ccc1[N+](=O)[O-])c1ccc(Cl)cc1Cl ZINC000549544413 841638191 /nfs/dbraw/zinc/63/81/91/841638191.db2.gz NORIFHKDWIRJSN-OAHLLOKOSA-N 0 1 385.203 3.611 20 5 GHBDMN Cc1cc(N2CCCN(C(=O)c3ccsc3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302211217 861242518 /nfs/dbraw/zinc/24/25/18/861242518.db2.gz YPTIHASZRFUCTD-UHFFFAOYSA-N 0 1 396.472 3.865 20 5 GHBDMN Cc1cc(NCc2ccc(CS(C)(=O)=O)cc2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302200681 861239362 /nfs/dbraw/zinc/23/93/62/861239362.db2.gz VASDWBLZMZDZMC-UHFFFAOYSA-N 0 1 385.445 3.608 20 5 GHBDMN CCS[C@@H]1CCCCN([C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000112090321 842182304 /nfs/dbraw/zinc/18/23/04/842182304.db2.gz BYPSENXMLLZXIT-DZGCQCFKSA-N 0 1 381.498 3.538 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2noc(CN3CCC[C@H]3Cc3ccc(F)cc3)n2)c1 ZINC000055908383 842288529 /nfs/dbraw/zinc/28/85/29/842288529.db2.gz RNUQVEFKUFTYOL-KRWDZBQOSA-N 0 1 382.395 3.991 20 5 GHBDMN COc1ccccc1[C@H](CNC(=O)c1ccccc1[N+](=O)[O-])N1CCCCC1 ZINC000055752244 861303118 /nfs/dbraw/zinc/30/31/18/861303118.db2.gz WERUAZXBCDVFPC-IBGZPJMESA-N 0 1 383.448 3.560 20 5 GHBDMN COc1cc(CN2CC[C@H]3CC[C@@H](C2)S3)c([N+](=O)[O-])cc1OCC(F)F ZINC000599552482 861322673 /nfs/dbraw/zinc/32/26/73/861322673.db2.gz DNMHBWIOMBIVEB-OLZOCXBDSA-N 0 1 388.436 3.717 20 5 GHBDMN CCOC(=O)c1cnn(C2CCN([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)c1C ZINC000510608157 843041577 /nfs/dbraw/zinc/04/15/77/843041577.db2.gz JSDOFQUEEDRKDU-AWEZNQCLSA-N 0 1 386.452 3.675 20 5 GHBDMN C[C@H]1C[N@@H+](Cc2cc(=O)oc3ccc4ccccc4c23)CC2(CCOCC2)O1 ZINC000279694343 843239486 /nfs/dbraw/zinc/23/94/86/843239486.db2.gz GISUPZYDTKJRQS-INIZCTEOSA-N 0 1 379.456 3.716 20 5 GHBDMN C[C@H]1CN(Cc2cc(=O)oc3ccc4ccccc4c23)CC2(CCOCC2)O1 ZINC000279694343 843239492 /nfs/dbraw/zinc/23/94/92/843239492.db2.gz GISUPZYDTKJRQS-INIZCTEOSA-N 0 1 379.456 3.716 20 5 GHBDMN O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCCN(Cc2ccccc2)CC1 ZINC000010165405 843279693 /nfs/dbraw/zinc/27/96/93/843279693.db2.gz MCEAFXKDDBEGCN-UHFFFAOYSA-N 0 1 394.475 3.517 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(F)cc1C(F)(F)F ZINC000150829076 843320047 /nfs/dbraw/zinc/32/00/47/843320047.db2.gz ZKYPLKZDJVRBPX-UHFFFAOYSA-N 0 1 378.303 3.862 20 5 GHBDMN COc1cc(CN2CCC(Cc3nc(C4CCC4)no3)CC2)ccc1[N+](=O)[O-] ZINC000599640638 861435485 /nfs/dbraw/zinc/43/54/85/861435485.db2.gz BHTBFRIEZJLLJF-UHFFFAOYSA-N 0 1 386.452 3.709 20 5 GHBDMN Cc1ccc(Cl)cc1CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001213942805 843613620 /nfs/dbraw/zinc/61/36/20/843613620.db2.gz FYTRIOMHVNQFLF-UHFFFAOYSA-N 0 1 375.233 3.689 20 5 GHBDMN C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1OC(F)F ZINC000056196581 861451997 /nfs/dbraw/zinc/45/19/97/861451997.db2.gz BMFHEHYWINOXPL-NWDGAFQWSA-N 0 1 379.363 3.874 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(Cl)ccc1-n1cccn1 ZINC000603980336 861499310 /nfs/dbraw/zinc/49/93/10/861499310.db2.gz LLMOLCQOPPDFIG-UHFFFAOYSA-N 0 1 392.824 3.543 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N2CCCC[C@@H]2c2nc3ccccc3o2)c1[N+](=O)[O-] ZINC000610925559 844859919 /nfs/dbraw/zinc/85/99/19/844859919.db2.gz MKQPSTXUHPVCRH-CYBMUJFWSA-N 0 1 383.408 3.950 20 5 GHBDMN C[C@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])c1cccc(Cl)c1Cl ZINC000542260055 845199341 /nfs/dbraw/zinc/19/93/41/845199341.db2.gz VKYFGNOPVPLSMD-RYUDHWBXSA-N 0 1 385.247 3.992 20 5 GHBDMN CC(=O)Nc1ccc(C)c(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)c1 ZINC000176638582 845373928 /nfs/dbraw/zinc/37/39/28/845373928.db2.gz BGEUFTABLFSYOJ-UHFFFAOYSA-N 0 1 397.840 3.624 20 5 GHBDMN Cn1ccnc1[C@@H](NC[C@@H]1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000611560648 845441335 /nfs/dbraw/zinc/44/13/35/845441335.db2.gz MOCAGHOFKUFHCM-IERDGZPVSA-N 0 1 376.460 3.812 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N(C)CCCOc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000433988265 845692570 /nfs/dbraw/zinc/69/25/70/845692570.db2.gz OUMXDFKPXMNPKV-UHFFFAOYSA-N 0 1 380.832 3.636 20 5 GHBDMN Cc1nsc(N2CCCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)n1 ZINC000131804779 861708780 /nfs/dbraw/zinc/70/87/80/861708780.db2.gz LYTBJTGFHCEODG-UHFFFAOYSA-N 0 1 399.476 3.727 20 5 GHBDMN Cc1cc([N+](=O)[O-])c(C)cc1NS(=O)(=O)c1ccc(Br)cc1 ZINC000389381225 846845025 /nfs/dbraw/zinc/84/50/25/846845025.db2.gz CBVFDYCWUYEOON-UHFFFAOYSA-N 0 1 385.239 3.775 20 5 GHBDMN COc1cccc([C@@H]2[C@@H](NC(=O)c3cc([N+](=O)[O-])ccc3C)CCN2C2CC2)c1 ZINC000183278522 847026843 /nfs/dbraw/zinc/02/68/43/847026843.db2.gz SBSFGDMUDAHNGA-LEWJYISDSA-N 0 1 395.459 3.620 20 5 GHBDMN CCCN(CCc1cccc(F)c1)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000303561263 861787099 /nfs/dbraw/zinc/78/70/99/861787099.db2.gz IEVGPCYLIQFLEH-UHFFFAOYSA-N 0 1 389.427 3.636 20 5 GHBDMN COc1ccc2c(c1)OC[C@H](NCc1csc(-c3cccc([N+](=O)[O-])c3)n1)C2 ZINC000503270089 847537490 /nfs/dbraw/zinc/53/74/90/847537490.db2.gz JKTUOXFZDSUZKX-OAHLLOKOSA-N 0 1 397.456 3.820 20 5 GHBDMN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCN1Cc1ccccc1 ZINC000479378726 847628769 /nfs/dbraw/zinc/62/87/69/847628769.db2.gz QKHIPNIUCJRWPS-SFHVURJKSA-N 0 1 387.867 3.572 20 5 GHBDMN Cc1ccc([C@H](C)N[C@H](C)c2cc(S(N)(=O)=O)c(C)cc2C)cc1[N+](=O)[O-] ZINC000479410189 847634478 /nfs/dbraw/zinc/63/44/78/847634478.db2.gz RAOKFEKUZBWJHN-LSDHHAIUSA-N 0 1 391.493 3.579 20 5 GHBDMN C[C@H]1C[C@]1(NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccc(Cl)cc1 ZINC000503373857 847649339 /nfs/dbraw/zinc/64/93/39/847649339.db2.gz FTTPWGHEVAGQAW-RNODOKPDSA-N 0 1 385.851 3.662 20 5 GHBDMN C[C@@H]1C[C@@]1(NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccc(Cl)cc1 ZINC000503373858 847650032 /nfs/dbraw/zinc/65/00/32/847650032.db2.gz FTTPWGHEVAGQAW-XCLFUZPHSA-N 0 1 385.851 3.662 20 5 GHBDMN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2NCc2c(F)cccc2OC(F)F)n1 ZINC000479491090 847662869 /nfs/dbraw/zinc/66/28/69/847662869.db2.gz RICJZEPDAMKFAB-ZIAGYGMSSA-N 0 1 384.358 3.805 20 5 GHBDMN CCO[C@@H]1C[C@H](NCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C12CCCCC2 ZINC000503426362 847698931 /nfs/dbraw/zinc/69/89/31/847698931.db2.gz NUUUZMQJVRXERE-DLBZAZTESA-N 0 1 386.452 3.862 20 5 GHBDMN CCOc1cc(C(=O)Nc2ccc(OCc3ccccc3)cc2[N+](=O)[O-])on1 ZINC001269399368 847824750 /nfs/dbraw/zinc/82/47/50/847824750.db2.gz CEIRJKFVQOCPCT-UHFFFAOYSA-N 0 1 383.360 3.813 20 5 GHBDMN CCN(CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@H](C)Cc1ccsc1 ZINC000187805518 848274511 /nfs/dbraw/zinc/27/45/11/848274511.db2.gz RIJJNMVBJYJSDP-CYBMUJFWSA-N 0 1 377.466 3.557 20 5 GHBDMN Cc1c(NS(=O)(=O)c2cc(F)ccc2Br)cccc1[N+](=O)[O-] ZINC000135666776 848316312 /nfs/dbraw/zinc/31/63/12/848316312.db2.gz IUVINKPDYWCPCW-UHFFFAOYSA-N 0 1 389.202 3.606 20 5 GHBDMN CN(C)[C@@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1ccc(F)cc1 ZINC000604181331 861904222 /nfs/dbraw/zinc/90/42/22/861904222.db2.gz CLCRYGREPVKPPC-INIZCTEOSA-N 0 1 387.436 3.981 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H](C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000161537652 848650347 /nfs/dbraw/zinc/65/03/47/848650347.db2.gz HYSCYYKYHSGMRH-CABCVRRESA-N 0 1 391.493 3.565 20 5 GHBDMN COC(=O)C=Cc1ccc(NCc2nc3ccc(Cl)cc3[nH]2)c([N+](=O)[O-])c1 ZINC000731903257 861950518 /nfs/dbraw/zinc/95/05/18/861950518.db2.gz GEIVYHLKXWOGAX-XVNBXDOJSA-N 0 1 386.795 3.923 20 5 GHBDMN CN(c1ccccc1)c1ccc(CN[C@@H](CO)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000536005827 849736598 /nfs/dbraw/zinc/73/65/98/849736598.db2.gz NQVDJUVJPSWGHA-CQSZACIVSA-N 0 1 383.370 3.766 20 5 GHBDMN Cc1[nH]nc2cc(NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)ccc12 ZINC000180317575 862070665 /nfs/dbraw/zinc/07/06/65/862070665.db2.gz VGXBIOZFKDSIBV-UHFFFAOYSA-N 0 1 382.423 3.978 20 5 GHBDMN Cc1c(CN(C)C[C@H](O)COc2ccccc2C(F)(F)F)cccc1[N+](=O)[O-] ZINC000522553275 862076304 /nfs/dbraw/zinc/07/63/04/862076304.db2.gz KDVIIBAUTXONDZ-HNNXBMFYSA-N 0 1 398.381 3.794 20 5 GHBDMN COc1cccc([C@H]2C[C@@H](C)CN2C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)c1 ZINC000504367247 850047235 /nfs/dbraw/zinc/04/72/35/850047235.db2.gz BOJAEPDTIQFWQC-KZULUSFZSA-N 0 1 380.404 3.703 20 5 GHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC(c2nc3c(s2)CCCC3)CC1 ZINC000425025053 850875016 /nfs/dbraw/zinc/87/50/16/850875016.db2.gz VDPOANKATCDYFC-UHFFFAOYSA-N 0 1 387.461 3.656 20 5 GHBDMN CCc1[nH]nc(C(=O)N2CCc3sccc3[C@@H]2c2cccs2)c1[N+](=O)[O-] ZINC000443920015 862196634 /nfs/dbraw/zinc/19/66/34/862196634.db2.gz KCMRCFIRXNYQDB-OAHLLOKOSA-N 0 1 388.474 3.791 20 5 GHBDMN O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000505753418 851182398 /nfs/dbraw/zinc/18/23/98/851182398.db2.gz SMSYFVWUSKGRNF-UHFFFAOYSA-N 0 1 383.385 3.611 20 5 GHBDMN C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436132384 851241555 /nfs/dbraw/zinc/24/15/55/851241555.db2.gz ASLCXTFYLRKHRF-HUUCEWRRSA-N 0 1 395.478 3.671 20 5 GHBDMN COc1c(F)cc(S(=O)(=O)Nc2ccc3oc(C)c(C)c3c2)cc1[N+](=O)[O-] ZINC000488216333 851274186 /nfs/dbraw/zinc/27/41/86/851274186.db2.gz BCFHGXXTQNRXHY-UHFFFAOYSA-N 0 1 394.380 3.906 20 5 GHBDMN C[C@@H](CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CCC(C)CC1 ZINC000436317741 851453762 /nfs/dbraw/zinc/45/37/62/851453762.db2.gz NILKAGMAGPFDMU-HNNXBMFYSA-N 0 1 395.478 3.671 20 5 GHBDMN COc1cc(CN2CCC(c3c[nH]c4ncccc34)CC2)c([N+](=O)[O-])cc1F ZINC000184260154 851834345 /nfs/dbraw/zinc/83/43/45/851834345.db2.gz FLHLEYTVQPJCCE-UHFFFAOYSA-N 0 1 384.411 3.998 20 5 GHBDMN CCOC(=O)c1ccc2c(c1)nc(-c1cc(OC)c(O)c([N+](=O)[O-])c1)n2CC ZINC000436559997 852063138 /nfs/dbraw/zinc/06/31/38/852063138.db2.gz ZMROADVHOFFFDE-UHFFFAOYSA-N 0 1 385.376 3.522 20 5 GHBDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])n[nH]1 ZINC000489188032 852101419 /nfs/dbraw/zinc/10/14/19/852101419.db2.gz WUELBFOPDJKVRI-AXFHLTTASA-N 0 1 395.847 3.525 20 5 GHBDMN O=[N+]([O-])c1ccn(C2CCN(Cc3c(Cl)cccc3N3CCCC3)CC2)n1 ZINC000425972555 852200750 /nfs/dbraw/zinc/20/07/50/852200750.db2.gz YYGCRQVDAWFWQU-UHFFFAOYSA-N 0 1 389.887 3.882 20 5 GHBDMN COc1ccc(CC(=O)N[C@@H](C)c2nc3ccc(Cl)cc3[nH]2)cc1[N+](=O)[O-] ZINC000732542390 862343395 /nfs/dbraw/zinc/34/33/95/862343395.db2.gz QDLLFKXFJOBGRP-JTQLQIEISA-N 0 1 388.811 3.553 20 5 GHBDMN O=C(Nc1ncc(C(F)(F)F)[nH]1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000506918002 852333649 /nfs/dbraw/zinc/33/36/49/852333649.db2.gz QGOGEAQAYKYJFI-UHFFFAOYSA-N 0 1 398.219 3.530 20 5 GHBDMN Cc1c(NC(=O)[C@H](C)Sc2nc(-c3ccccc3O)n[nH]2)cccc1[N+](=O)[O-] ZINC000436852379 852421157 /nfs/dbraw/zinc/42/11/57/852421157.db2.gz IFSZZTFQWMWYAE-NSHDSACASA-N 0 1 399.432 3.513 20 5 GHBDMN CCN(C(=O)c1ccc([N+](=O)[O-])cc1[O-])[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000436960515 852532754 /nfs/dbraw/zinc/53/27/54/852532754.db2.gz QVAUZSIPALXBCW-MAUKXSAKSA-N 0 1 383.448 3.598 20 5 GHBDMN CN(C)Cc1ccc(CNC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])cc1F ZINC000489973674 852685169 /nfs/dbraw/zinc/68/51/69/852685169.db2.gz SDMIWDIMAPQRKX-UHFFFAOYSA-N 0 1 388.443 3.530 20 5 GHBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1cc(Cl)cc(Cl)c1 ZINC000490380379 852993427 /nfs/dbraw/zinc/99/34/27/852993427.db2.gz WFPITODMHILMLO-UHFFFAOYSA-N 0 1 378.175 3.939 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000550288682 853028640 /nfs/dbraw/zinc/02/86/40/853028640.db2.gz UWUNMTYRFBJQQP-AWEZNQCLSA-N 0 1 397.410 3.517 20 5 GHBDMN C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000518379395 853278402 /nfs/dbraw/zinc/27/84/02/853278402.db2.gz JKCHSWKMNJJEQQ-UONOGXRCSA-N 0 1 395.887 3.680 20 5 GHBDMN C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)N1CC[C@H](C2CC2)C1 ZINC000491159966 853474751 /nfs/dbraw/zinc/47/47/51/853474751.db2.gz FRTSHGMASCTMOL-WFASDCNBSA-N 0 1 386.477 3.777 20 5 GHBDMN C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccc(OCc2ccc(F)cc2)cc1 ZINC000134030102 854341667 /nfs/dbraw/zinc/34/16/67/854341667.db2.gz KCZDDQAWGAFSHH-LBPRGKRZSA-N 0 1 384.367 3.527 20 5 GHBDMN CC(C)OC(=O)c1ccc(NC(=O)[C@@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000056196170 854547814 /nfs/dbraw/zinc/54/78/14/854547814.db2.gz BCSUKELDHWZZIK-HUUCEWRRSA-N 0 1 399.447 3.838 20 5 GHBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@H](CSc3ccccc3)C2)c1 ZINC000589503037 854911541 /nfs/dbraw/zinc/91/15/41/854911541.db2.gz LORPTYCIJZQQTF-HNNXBMFYSA-N 0 1 386.473 3.996 20 5 GHBDMN O=[N+]([O-])c1cc(CNC2COCCOC2)ccc1Oc1ccccc1Cl ZINC000589938101 855198046 /nfs/dbraw/zinc/19/80/46/855198046.db2.gz DMNZUJWVRCXBBB-UHFFFAOYSA-N 0 1 378.812 3.546 20 5 GHBDMN COC[C@@](C)(CC(=O)OC)NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000542690601 855444907 /nfs/dbraw/zinc/44/49/07/855444907.db2.gz MFQVBTCLHPGPTM-GOSISDBHSA-N 0 1 396.827 3.566 20 5 GHBDMN COc1ccc([C@H](C)N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c(C)c1OC ZINC000553960457 855705386 /nfs/dbraw/zinc/70/53/86/855705386.db2.gz AJBOYXZMEIUWIC-UONOGXRCSA-N 0 1 387.436 3.598 20 5 GHBDMN CN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273602494 855786738 /nfs/dbraw/zinc/78/67/38/855786738.db2.gz SEBOCQGQYRZUKA-KBXCAEBGSA-N 0 1 398.394 3.603 20 5 GHBDMN COC(=O)c1cc(NC[C@H](C)N2CCc3sccc3C2)cc(C)c1[N+](=O)[O-] ZINC000301627230 856431962 /nfs/dbraw/zinc/43/19/62/856431962.db2.gz AARODRXAVGQBSE-ZDUSSCGKSA-N 0 1 389.477 3.610 20 5 GHBDMN O=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000058532063 856993413 /nfs/dbraw/zinc/99/34/13/856993413.db2.gz UUPZTFUYURKCQM-UHFFFAOYSA-N 0 1 396.422 3.610 20 5 GHBDMN Cc1ccc(NC(=O)c2ccc(N3C[C@@H](C)N(C)C[C@H]3C)c([N+](=O)[O-])c2)cc1 ZINC000508371990 857224557 /nfs/dbraw/zinc/22/45/57/857224557.db2.gz QMDVIQAGTSBVQU-HZPDHXFCSA-N 0 1 382.464 3.684 20 5 GHBDMN CN1CC[C@H](Nc2ccc3cc([N+](=O)[O-])ccc3n2)[C@@H]1c1ccc(F)c(F)c1 ZINC000485977130 857287959 /nfs/dbraw/zinc/28/79/59/857287959.db2.gz KBZVTLKJFMYNHH-ICSRJNTNSA-N 0 1 384.386 3.700 20 5 GHBDMN CCN(CC)[C@H](CNC(=O)c1cc([N+](=O)[O-])cnc1C)c1ccccc1Cl ZINC000041904205 857316220 /nfs/dbraw/zinc/31/62/20/857316220.db2.gz KATQKNXKCHHNIB-GOSISDBHSA-N 0 1 390.871 3.765 20 5 GHBDMN CC[S@](=O)[C@H]1CCC[C@@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000246400656 857365546 /nfs/dbraw/zinc/36/55/46/857365546.db2.gz QOHQJAQULDJSSJ-UVVOCLOQSA-N 0 1 393.534 3.888 20 5 GHBDMN CCCc1[nH]nc(C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)c1[N+](=O)[O-] ZINC000134253048 862910702 /nfs/dbraw/zinc/91/07/02/862910702.db2.gz ASDMJMKQGAGRGU-UHFFFAOYSA-N 0 1 392.828 3.695 20 5 GHBDMN Cc1ccc(Br)cc1NC(=O)CCNCc1csc([N+](=O)[O-])c1 ZINC000113353815 857442685 /nfs/dbraw/zinc/44/26/85/857442685.db2.gz WHJQHCSBHNASKM-UHFFFAOYSA-N 0 1 398.282 3.846 20 5 GHBDMN COc1ccccc1[C@@H](CNc1ncc(Cl)cc1[N+](=O)[O-])N1CCCC1 ZINC000301752315 857559181 /nfs/dbraw/zinc/55/91/81/857559181.db2.gz VMKSBFKUTNIRJM-MRXNPFEDSA-N 0 1 376.844 3.901 20 5 GHBDMN Cc1cccc([C@@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)c2ccccn2)c1 ZINC000159721121 862958585 /nfs/dbraw/zinc/95/85/85/862958585.db2.gz ZDGKBOSJRVKBIJ-LJQANCHMSA-N 0 1 387.399 3.694 20 5 GHBDMN COc1cc(CN[C@H]2C[C@@H](O)C23CCC3)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000594986715 858358718 /nfs/dbraw/zinc/35/87/18/858358718.db2.gz HBMOXJWNOCGPTL-LEWJYISDSA-N 0 1 398.459 3.576 20 5 GHBDMN C[C@@H]1CCCN(c2ccc(C(=O)Nc3cc(CN(C)C)ccn3)cc2[N+](=O)[O-])C1 ZINC000482373617 863018315 /nfs/dbraw/zinc/01/83/15/863018315.db2.gz UEYNNIHOBAOITR-OAHLLOKOSA-N 0 1 397.479 3.540 20 5 GHBDMN Cc1ccc2nc([C@H]3CCCN(C(=O)COc4ccccc4[N+](=O)[O-])C3)[nH]c2c1 ZINC000067158749 858458880 /nfs/dbraw/zinc/45/88/80/858458880.db2.gz XTXAPABNWYMMTH-HNNXBMFYSA-N 0 1 394.431 3.565 20 5 GHBDMN CCN1C(=O)c2cc(Cl)ccc2N[C@@H]1c1cc(OC)c(O)c([N+](=O)[O-])c1 ZINC000067454368 858574101 /nfs/dbraw/zinc/57/41/01/858574101.db2.gz DHSKKOSWLVIVAF-INIZCTEOSA-N 0 1 377.784 3.549 20 5 GHBDMN CC(C)(C)O[C@@H]1C[C@@H](NCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C12CCC2 ZINC000595777799 858684009 /nfs/dbraw/zinc/68/40/09/858684009.db2.gz KFLAREFVVRPMAT-HZPDHXFCSA-N 0 1 386.452 3.861 20 5 GHBDMN COc1ccc(CC(=O)Nc2ccc3nc([C@H]4CCCO4)[nH]c3c2)cc1[N+](=O)[O-] ZINC000067819659 858773804 /nfs/dbraw/zinc/77/38/04/858773804.db2.gz LALLDUYXAYCXPJ-GOSISDBHSA-N 0 1 396.403 3.512 20 5 GHBDMN CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccsc1)N(C)C ZINC000482408922 863064840 /nfs/dbraw/zinc/06/48/40/863064840.db2.gz PBUQJYMIOAVKBA-OAHLLOKOSA-N 0 1 379.507 3.801 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(Cc1ccco1)C[C@@H]1CCCO1 ZINC000060090375 858847426 /nfs/dbraw/zinc/84/74/26/858847426.db2.gz FETYXIDOOULEJZ-SFHVURJKSA-N 0 1 387.436 3.506 20 5 GHBDMN CC(C)(NC[C@H](O)COc1ccccc1C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000429267173 858868881 /nfs/dbraw/zinc/86/88/81/858868881.db2.gz LGANDVQBXCAXAJ-ZDUSSCGKSA-N 0 1 398.381 3.878 20 5 GHBDMN O=C(NCCc1ccccc1[N+](=O)[O-])c1cn[nH]c1-c1ccc(Cl)s1 ZINC000470610059 858917213 /nfs/dbraw/zinc/91/72/13/858917213.db2.gz JTGJDBQOZLLVPO-UHFFFAOYSA-N 0 1 376.825 3.672 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2nc(CN[C@H]3C[C@@](CO)(c4ccccc4)C3)cs2)c1 ZINC000923010485 858944904 /nfs/dbraw/zinc/94/49/04/858944904.db2.gz RWJLUKZMWFXFFT-UEDWGHLCSA-N 0 1 395.484 3.901 20 5 GHBDMN COc1cc(CN2CCC[C@@H](CSC)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000429292081 858949105 /nfs/dbraw/zinc/94/91/05/858949105.db2.gz HWUIAWATCMEIJR-GFCCVEGCSA-N 0 1 390.452 3.822 20 5 GHBDMN C[C@@H](C(=O)Nc1nc(-c2ccc(Cl)cc2)n[nH]1)c1ccc([N+](=O)[O-])cc1F ZINC000543617881 859032647 /nfs/dbraw/zinc/03/26/47/859032647.db2.gz IFKFOKRMKWAXPT-SECBINFHSA-N 0 1 389.774 3.915 20 5 GHBDMN O=C(NC[C@@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1)Nc1cccc(F)c1 ZINC000068824378 859214336 /nfs/dbraw/zinc/21/43/36/859214336.db2.gz JKXVNVBTLXBSAI-INIZCTEOSA-N 0 1 386.427 3.768 20 5 GHBDMN COc1ccc(C[C@H](C)N2CCC(Oc3cccc(C)n3)CC2)c([N+](=O)[O-])c1 ZINC001170355070 881396645 /nfs/dbraw/zinc/39/66/45/881396645.db2.gz VMYVTKBKDRDKJQ-INIZCTEOSA-N 0 1 385.464 3.781 20 5 GHBDMN COCCC1CN(Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1 ZINC000597183635 859342449 /nfs/dbraw/zinc/34/24/49/859342449.db2.gz OKMQRTQJNMJZKK-UHFFFAOYSA-N 0 1 386.448 3.651 20 5 GHBDMN COc1cc(CN2C[C@H]3COC[C@]3(C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000597209906 859349010 /nfs/dbraw/zinc/34/90/10/859349010.db2.gz FMUVEUUDJYGHNU-AVRDEDQJSA-N 0 1 398.459 3.651 20 5 GHBDMN Cc1cc(C[C@@H](C)NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)n[nH]1 ZINC000161074654 859547579 /nfs/dbraw/zinc/54/75/79/859547579.db2.gz KDHSQUIOMNNTRU-CQSZACIVSA-N 0 1 393.447 3.599 20 5 GHBDMN O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1NCc1n[nH]cc1Br ZINC000611081089 859602609 /nfs/dbraw/zinc/60/26/09/859602609.db2.gz LTOOUNLTIXVUDV-SMDDNHRTSA-N 0 1 379.258 3.581 20 5 GHBDMN CC[C@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1C)c1ccccc1OCC(=O)NC ZINC000611517090 859796864 /nfs/dbraw/zinc/79/68/64/859796864.db2.gz YCWRHUIEGFRNOH-BEFAXECRSA-N 0 1 385.464 3.830 20 5 GHBDMN CNC(=O)[C@@H]1CCCN1Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000092098647 859989562 /nfs/dbraw/zinc/98/95/62/859989562.db2.gz KETKJNWSRCRRDM-INIZCTEOSA-N 0 1 389.839 3.751 20 5 GHBDMN CC(C)N(C)C(=O)C1CCN(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602448081 860036906 /nfs/dbraw/zinc/03/69/06/860036906.db2.gz RSBJCPUMTLBQBF-UHFFFAOYSA-N 0 1 387.402 3.692 20 5 GHBDMN CO[C@@H]1C[C@H](N[C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1(C)C ZINC001170384417 881500075 /nfs/dbraw/zinc/50/00/75/881500075.db2.gz BILPHKVXVDUYPJ-XUVXKRRUSA-N 0 1 397.475 3.986 20 5 GHBDMN O=[N+]([O-])c1ccccc1/C=C/CN1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000124124584 860238809 /nfs/dbraw/zinc/23/88/09/860238809.db2.gz UNMPEEGGKXXTDD-AHKGRUIUSA-N 0 1 381.480 3.806 20 5 GHBDMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000904399737 860404681 /nfs/dbraw/zinc/40/46/81/860404681.db2.gz AHQXVSHVEURBRJ-GOSISDBHSA-N 0 1 375.450 3.795 20 5 GHBDMN Cc1ccc(S(=O)(=O)Nc2cnc(C(F)(F)F)cc2C)c(C)c1[N+](=O)[O-] ZINC000598715251 860525450 /nfs/dbraw/zinc/52/54/50/860525450.db2.gz AILQMMIIEKSERY-UHFFFAOYSA-N 0 1 389.355 3.735 20 5 GHBDMN O=C(Nc1ccc([N+](=O)[O-])c2ncccc12)c1ccc(CN2CCCCC2)o1 ZINC001127963082 860531850 /nfs/dbraw/zinc/53/18/50/860531850.db2.gz VRMZHAGKMGIVCZ-UHFFFAOYSA-N 0 1 380.404 3.974 20 5 GHBDMN COc1cccc([C@H](CNCc2cc([N+](=O)[O-])ccc2OC(F)F)OC)c1 ZINC000598986982 860703409 /nfs/dbraw/zinc/70/34/09/860703409.db2.gz GIBBGQRHVFXALZ-KRWDZBQOSA-N 0 1 382.363 3.682 20 5 GHBDMN O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)c1cc(-c2cccc(F)c2)no1 ZINC000603616856 860941345 /nfs/dbraw/zinc/94/13/45/860941345.db2.gz MVDMPKZIDYMWHW-UHFFFAOYSA-N 0 1 399.334 3.803 20 5 GHBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCCC[C@@H]2CC(=O)[O-])cc1OC ZINC000593744577 861136021 /nfs/dbraw/zinc/13/60/21/861136021.db2.gz GQGFWFOMZWNCSX-GOEBONIOSA-N 0 1 394.468 3.858 20 5 GHBDMN CC[C@@H](N[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1ccccc1F ZINC000594020095 863760237 /nfs/dbraw/zinc/76/02/37/863760237.db2.gz YEQUMYBKPUPTMA-MLGOLLRUSA-N 0 1 375.400 3.810 20 5 GHBDMN COc1ccc([C@@H](C)N[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])c(C)c1OC ZINC000554292835 864068405 /nfs/dbraw/zinc/06/84/05/864068405.db2.gz KMQVZNLZKLJTFZ-ZIAGYGMSSA-N 0 1 387.436 3.598 20 5 GHBDMN COc1ccc([C@H](C)N[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])c(C)c1OC ZINC000554292832 864068454 /nfs/dbraw/zinc/06/84/54/864068454.db2.gz KMQVZNLZKLJTFZ-KBPBESRZSA-N 0 1 387.436 3.598 20 5 GHBDMN O=[N+]([O-])c1cn(CN2CC[C@H](Cc3ccc(F)cc3)C2)nc1-c1ccncc1 ZINC000172905072 864105514 /nfs/dbraw/zinc/10/55/14/864105514.db2.gz YJXJWGXLAQYALB-MRXNPFEDSA-N 0 1 381.411 3.515 20 5 GHBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000494477244 881775781 /nfs/dbraw/zinc/77/57/81/881775781.db2.gz QLMUOZYYXBQUFP-DNVCBOLYSA-N 0 1 389.839 3.615 20 5 GHBDMN C[C@@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])c1nc(-c2ccccc2)cs1 ZINC000184538855 864647281 /nfs/dbraw/zinc/64/72/81/864647281.db2.gz NRCOLNKBPCRSQS-ZBFHGGJFSA-N 0 1 399.472 3.809 20 5 GHBDMN Cn1cc([C@@H](NCCCOc2ccc([N+](=O)[O-])cc2)c2ccc(F)cc2)cn1 ZINC000184606382 864756607 /nfs/dbraw/zinc/75/66/07/864756607.db2.gz MKWPFEMCYJLTAN-FQEVSTJZSA-N 0 1 384.411 3.616 20 5 GHBDMN COc1cccc(NCc2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)c1[N+](=O)[O-] ZINC000475348545 864825589 /nfs/dbraw/zinc/82/55/89/864825589.db2.gz DAZDVECFNFJODN-HZPDHXFCSA-N 0 1 385.464 3.825 20 5 GHBDMN COC(=O)[C@@H](Cc1ccccc1)[C@H](C)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000792937781 881830434 /nfs/dbraw/zinc/83/04/34/881830434.db2.gz YYVFYEHKSTZBNN-GUYCJALGSA-N 0 1 376.840 3.758 20 5 GHBDMN NC(=O)c1ccc(CN[C@@H](Cc2ccccc2)c2cccs2)c([N+](=O)[O-])c1 ZINC000184982471 865101839 /nfs/dbraw/zinc/10/18/39/865101839.db2.gz LCFDNKJVMFVQML-KRWDZBQOSA-N 0 1 381.457 3.829 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2nnc(CN3CC[C@H](Cc4ccc(F)cc4)C3)o2)cc1 ZINC000121315043 865529572 /nfs/dbraw/zinc/52/95/72/865529572.db2.gz KPDOTUOBDHMUFQ-OAHLLOKOSA-N 0 1 382.395 3.849 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000608891174 865820055 /nfs/dbraw/zinc/82/00/55/865820055.db2.gz ZBOYTGIWDUBLNW-UHFFFAOYSA-N 0 1 391.431 3.708 20 5 GHBDMN NC(=O)c1n[nH]c2ccc(NC(=O)c3cc4ccccc4c4cccnc34)cc21 ZINC000534112692 866139699 /nfs/dbraw/zinc/13/96/99/866139699.db2.gz GKDGRVLIKIAVPI-UHFFFAOYSA-N 0 1 381.395 3.616 20 5 GHBDMN C[C@@H]1C[C@@H](C(F)(F)F)CCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000456130453 866162953 /nfs/dbraw/zinc/16/29/53/866162953.db2.gz PZWUFUNKORULJY-PWSUYJOCSA-N 0 1 382.342 3.788 20 5 GHBDMN O=[N+]([O-])c1ccccc1/C=C/CN[C@@H](CO)c1ccccc1OC(F)(F)F ZINC000475568604 866333223 /nfs/dbraw/zinc/33/32/23/866333223.db2.gz OEQWDKUXJBVDGE-ZKKXHLJNSA-N 0 1 382.338 3.830 20 5 GHBDMN COc1cc(CN2CCC[C@](C)(OC)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000475577940 866390194 /nfs/dbraw/zinc/39/01/94/866390194.db2.gz JSDMTIXDSTVNQU-SFHVURJKSA-N 0 1 388.411 3.638 20 5 GHBDMN O=C(NC[C@H](c1cccc(Cl)c1)N1CCCC1)Nc1ccncc1[N+](=O)[O-] ZINC000183575618 866884129 /nfs/dbraw/zinc/88/41/29/866884129.db2.gz DRPUAPMBPXUBMC-MRXNPFEDSA-N 0 1 389.843 3.602 20 5 GHBDMN O=C(Nc1ccc(C(=O)NC2CCCCC2)cc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000475609707 866960456 /nfs/dbraw/zinc/96/04/56/866960456.db2.gz TVJMVTCCGQVEMT-UHFFFAOYSA-N 0 1 383.404 3.615 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@H](C)c1c(F)cccc1F ZINC000553231388 867014265 /nfs/dbraw/zinc/01/42/65/867014265.db2.gz JAFOTZMFCROYLR-LLVKDONJSA-N 0 1 379.363 3.561 20 5 GHBDMN CN(C(=O)c1cc2cc([N+](=O)[O-])ccc2o1)C1CCN(CCC(F)(F)F)CC1 ZINC000457081123 867626863 /nfs/dbraw/zinc/62/68/63/867626863.db2.gz HKBOCACIVHKMBB-UHFFFAOYSA-N 0 1 399.369 3.830 20 5 GHBDMN Cc1[nH]nc(C(=O)N2CCCC[C@H]2c2nc3cc(Cl)ccc3[nH]2)c1[N+](=O)[O-] ZINC000457350506 868152648 /nfs/dbraw/zinc/15/26/48/868152648.db2.gz CSLPUWASSGUSRU-ZDUSSCGKSA-N 0 1 388.815 3.523 20 5 GHBDMN Cc1nc2ccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3Br)cc2[nH]1 ZINC000479785156 868519942 /nfs/dbraw/zinc/51/99/42/868519942.db2.gz ZLOOEOBCAPENPP-UHFFFAOYSA-N 0 1 389.209 3.723 20 5 GHBDMN CC[C@@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000524126497 868575028 /nfs/dbraw/zinc/57/50/28/868575028.db2.gz VXCNCNCTVNRJFY-CYBMUJFWSA-N 0 1 390.795 3.956 20 5 GHBDMN O=[N+]([O-])c1ccc(NCc2n[nH]c(-c3ccc(Br)cc3)n2)c(F)c1 ZINC000524265340 868814276 /nfs/dbraw/zinc/81/42/76/868814276.db2.gz DBKYUWJHGRRQTJ-UHFFFAOYSA-N 0 1 392.188 3.894 20 5 GHBDMN O=[N+]([O-])c1ccc(NCc2nc(-c3ccc(Br)cc3)n[nH]2)c(F)c1 ZINC000524265340 868814288 /nfs/dbraw/zinc/81/42/88/868814288.db2.gz DBKYUWJHGRRQTJ-UHFFFAOYSA-N 0 1 392.188 3.894 20 5 GHBDMN C[C@@H](C1CC1)N(CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)Cc1ccccc1 ZINC000029842749 869209438 /nfs/dbraw/zinc/20/94/38/869209438.db2.gz FVACDYQBKVYYCP-AWEZNQCLSA-N 0 1 397.431 3.563 20 5 GHBDMN O=C(N[C@@H]1CCCN(CCc2ccc([N+](=O)[O-])cc2)C1)c1cc2ccccc2o1 ZINC000440935963 869318934 /nfs/dbraw/zinc/31/89/34/869318934.db2.gz LROWYJYMUFLWJV-GOSISDBHSA-N 0 1 393.443 3.778 20 5 GHBDMN Cc1ccc2nc(CNc3ccc([N+](=O)[O-])c(OCc4ccccc4)n3)[nH]c2c1 ZINC000462477245 869503037 /nfs/dbraw/zinc/50/30/37/869503037.db2.gz DQCYXIDUOGFEEB-UHFFFAOYSA-N 0 1 389.415 3.788 20 5 GHBDMN COc1ccc(CSc2nc(-c3cc(F)cc(F)c3)n[nH]2)cc1[N+](=O)[O-] ZINC000525114606 870013190 /nfs/dbraw/zinc/01/31/90/870013190.db2.gz FUBMBENZVTZWPU-UHFFFAOYSA-N 0 1 378.360 3.959 20 5 GHBDMN CNc1c(C(=O)N2CCC[C@@H](c3nc4ccc(C)cc4[nH]3)C2)cccc1[N+](=O)[O-] ZINC000462771916 870068701 /nfs/dbraw/zinc/06/87/01/870068701.db2.gz FUASTQSAJGPTGO-CQSZACIVSA-N 0 1 393.447 3.841 20 5 GHBDMN Cc1c([C@H](C)N[C@@H]2CC(=O)N(c3c(F)cccc3F)C2)cccc1[N+](=O)[O-] ZINC000539969084 870130857 /nfs/dbraw/zinc/13/08/57/870130857.db2.gz LSINSTPUJCBHQR-QWHCGFSZSA-N 0 1 375.375 3.638 20 5 GHBDMN Cc1sc(Br)cc1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000122335265 870453083 /nfs/dbraw/zinc/45/30/83/870453083.db2.gz FPEVNMQAHWUBMG-UHFFFAOYSA-N 0 1 391.268 3.836 20 5 GHBDMN C[C@@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1cc2cccc(F)c2o1 ZINC000475708537 882479114 /nfs/dbraw/zinc/47/91/14/882479114.db2.gz HVKLYUYICBDSFQ-GFCCVEGCSA-N 0 1 383.379 3.720 20 5 GHBDMN Cc1nc(-c2ccc([C@H](C)NCc3ccc(C(N)=O)cc3[N+](=O)[O-])cc2)cs1 ZINC000540378400 871169111 /nfs/dbraw/zinc/16/91/11/871169111.db2.gz ABKOCIRJHYEXEZ-LBPRGKRZSA-N 0 1 396.472 3.976 20 5 GHBDMN O=[N+]([O-])c1cccc(OC[C@@H](O)CN[C@H](CC(F)(F)F)c2ccccc2)c1 ZINC000540380711 871175870 /nfs/dbraw/zinc/17/58/70/871175870.db2.gz PGRSSLNHPUISGD-DOTOQJQBSA-N 0 1 384.354 3.618 20 5 GHBDMN CC[C@H](CN(CC)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccccc1 ZINC001193591840 871177367 /nfs/dbraw/zinc/17/73/67/871177367.db2.gz BMGAHRFCLWTOJQ-QGZVFWFLSA-N 0 1 381.476 4.000 20 5 GHBDMN CC1(C)CC[C@H](NS(=O)(=O)c2ncccc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC001193997037 871453121 /nfs/dbraw/zinc/45/31/21/871453121.db2.gz GPDGHISGYFKLNZ-CVEARBPZSA-N 0 1 389.477 3.631 20 5 GHBDMN O=C(CCN(Cc1ccccc1[N+](=O)[O-])C1CC1)NCc1ccccc1Cl ZINC000441247534 871468173 /nfs/dbraw/zinc/46/81/73/871468173.db2.gz KTSQBYIOYNGKAC-UHFFFAOYSA-N 0 1 387.867 3.919 20 5 GHBDMN Cc1ccc([C@H](C)NCC(=O)NCCc2ccc(OC(C)C)cc2)cc1[N+](=O)[O-] ZINC000181809542 871497366 /nfs/dbraw/zinc/49/73/66/871497366.db2.gz OTKGRGVNEMUUEM-KRWDZBQOSA-N 0 1 399.491 3.700 20 5 GHBDMN Cc1ccc([C@@H](C)NCC(=O)Nc2ccc(N3CCCCC3)nc2)cc1[N+](=O)[O-] ZINC000181825159 871525482 /nfs/dbraw/zinc/52/54/82/871525482.db2.gz WLYITSWHDXGOPM-MRXNPFEDSA-N 0 1 397.479 3.578 20 5 GHBDMN COc1ccc([C@H](NC(=O)CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C2CC2)cc1 ZINC000181841097 871537005 /nfs/dbraw/zinc/53/70/05/871537005.db2.gz ZZIMFFBYRZHWBE-IVZQSRNASA-N 0 1 397.475 3.830 20 5 GHBDMN CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1C ZINC001169542495 871621121 /nfs/dbraw/zinc/62/11/21/871621121.db2.gz XDRQJDKJAKCZJK-HNAYVOBHSA-N 0 1 399.516 3.957 20 5 GHBDMN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2NCc2nnc(-c3ccccc3)s2)n1 ZINC000447580846 871927967 /nfs/dbraw/zinc/92/79/67/871927967.db2.gz QLHPTYBBFPGVSD-LSDHHAIUSA-N 0 1 384.465 3.583 20 5 GHBDMN CCOc1cc(N2CCN(Cc3ccc4cnccc4c3)CC2)ccc1[N+](=O)[O-] ZINC000619432764 872645399 /nfs/dbraw/zinc/64/53/99/872645399.db2.gz OGECJSQFPKCJOG-UHFFFAOYSA-N 0 1 392.459 3.864 20 5 GHBDMN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000448034769 872723691 /nfs/dbraw/zinc/72/36/91/872723691.db2.gz LGEYGXBBXONZDT-MGPUTAFESA-N 0 1 382.464 3.825 20 5 GHBDMN Cc1cc(C)c([N+](=O)[O-])c(NCc2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)n1 ZINC000541004984 872729155 /nfs/dbraw/zinc/72/91/55/872729155.db2.gz YFXLMVUEWDFZJJ-IAGOWNOFSA-N 0 1 384.480 3.828 20 5 GHBDMN Cc1sc(Br)cc1S(=O)(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000122393203 872743977 /nfs/dbraw/zinc/74/39/77/872743977.db2.gz WNQPQJRDFGWENP-UHFFFAOYSA-N 0 1 391.268 3.836 20 5 GHBDMN COc1ccc(NC(=O)[C@H](C)N[C@H](C)c2cc(C)sc2C)c([N+](=O)[O-])c1 ZINC000182756454 872754414 /nfs/dbraw/zinc/75/44/14/872754414.db2.gz OBEJSJLRWBPODF-NEPJUHHUSA-N 0 1 377.466 3.960 20 5 GHBDMN Cc1cc2cn[nH]c2c(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)c1 ZINC000552742441 873106272 /nfs/dbraw/zinc/10/62/72/873106272.db2.gz VFYQPNMXPIXYGX-UHFFFAOYSA-N 0 1 375.182 3.794 20 5 GHBDMN Cc1cc(S(=O)(=O)Nc2ccc(OC3CCCC3)nc2)cc([N+](=O)[O-])c1F ZINC000768269146 873200596 /nfs/dbraw/zinc/20/05/96/873200596.db2.gz FOCVDSVNQQBWIY-UHFFFAOYSA-N 0 1 395.412 3.560 20 5 GHBDMN CC(C)(C)c1ccc(N2CCC(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)CC2)cc1 ZINC000780398499 873230921 /nfs/dbraw/zinc/23/09/21/873230921.db2.gz NMDBCNCQIIJUFO-UHFFFAOYSA-N 0 1 397.475 3.997 20 5 GHBDMN O=[N+]([O-])c1ccccc1OCCN1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858015791 882727193 /nfs/dbraw/zinc/72/71/93/882727193.db2.gz CGVRCSYZKYFIIX-GOSISDBHSA-N 0 1 383.448 3.789 20 5 GHBDMN C[C@H](O)CN(Cc1ccccc1)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000768891099 873651700 /nfs/dbraw/zinc/65/17/00/873651700.db2.gz AOHUESJCVMTEBJ-ZDUSSCGKSA-N 0 1 379.254 3.740 20 5 GHBDMN CCc1ccc([C@H](NCC(C)(C)N2CCOCC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541550404 873848924 /nfs/dbraw/zinc/84/89/24/873848924.db2.gz XGQRPOIVYOHYHH-HXUWFJFHSA-N 0 1 387.480 3.540 20 5 GHBDMN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000448773290 873948490 /nfs/dbraw/zinc/94/84/90/873948490.db2.gz HCASVWNJBILPMH-APWZRJJASA-N 0 1 395.459 3.509 20 5 GHBDMN CC(C)[C@H](N[C@@H](C)Cc1ccccc1[N+](=O)[O-])c1nc(-c2cccnc2)no1 ZINC000449226634 874615916 /nfs/dbraw/zinc/61/59/16/874615916.db2.gz RTPHRTYHCJCRRZ-KSSFIOAISA-N 0 1 381.436 3.958 20 5 GHBDMN COc1ccc(COC(=O)c2[nH]c(-c3cccc(C)c3)nc2C)cc1[N+](=O)[O-] ZINC000772100754 875678668 /nfs/dbraw/zinc/67/86/68/875678668.db2.gz JGBMEOMDBQIWFJ-UHFFFAOYSA-N 0 1 381.388 3.967 20 5 GHBDMN Cc1ccc2[nH]c3c(c2c1)C[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)CC3 ZINC000491522196 875777285 /nfs/dbraw/zinc/77/72/85/875777285.db2.gz RICRALHWMFQMIP-GFCCVEGCSA-N 0 1 389.415 3.548 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@H](O)c1ccccc1Br ZINC000850475386 876953379 /nfs/dbraw/zinc/95/33/79/876953379.db2.gz WQURJYLRGGVEKK-BZNIZROVSA-N 0 1 395.253 3.750 20 5 GHBDMN C[C@H]1c2ccc(F)cc2CCN1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000610003850 877277699 /nfs/dbraw/zinc/27/76/99/877277699.db2.gz KOYLPJIFHJCKED-ZDUSSCGKSA-N 0 1 385.395 3.651 20 5 GHBDMN CCN1CCN(c2ccccc2NC(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000175586777 877337281 /nfs/dbraw/zinc/33/72/81/877337281.db2.gz LFHAIZUVERTKAK-UHFFFAOYSA-N 0 1 388.855 3.642 20 5 GHBDMN COc1ccc(CNCc2c[nH]nc2C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000530317853 877483523 /nfs/dbraw/zinc/48/35/23/877483523.db2.gz ZBYZIIJEYMDFNE-UHFFFAOYSA-N 0 1 382.420 3.504 20 5 GHBDMN C[C@H](NCc1ccc(Br)c([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 ZINC000237583484 877634607 /nfs/dbraw/zinc/63/46/07/877634607.db2.gz YBRJCNRVDUQPPR-JTQLQIEISA-N 0 1 379.210 3.937 20 5 GHBDMN CC(C)(C)OC(=O)N1CCC[C@@]2(CCN2CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000787994287 877763483 /nfs/dbraw/zinc/76/34/83/877763483.db2.gz FWOZRFCPWGLJDS-HXUWFJFHSA-N 0 1 375.469 3.613 20 5 GHBDMN C[C@@H](c1nc(-c2cccnc2)no1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451546762 878118865 /nfs/dbraw/zinc/11/88/65/878118865.db2.gz JSQLKFYMDPUGHH-WMLDXEAASA-N 0 1 379.420 3.980 20 5 GHBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@@H](OC)[C@H](C)C2)cc1OC ZINC000451576097 878185884 /nfs/dbraw/zinc/18/58/84/878185884.db2.gz UBPVJOIRRXVSNH-HDMKZQKVSA-N 0 1 380.485 3.885 20 5 GHBDMN Cc1ccc(F)cc1S(=O)(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000537753628 878242194 /nfs/dbraw/zinc/24/21/94/878242194.db2.gz XVMGBJAQSSTSRY-UHFFFAOYSA-N 0 1 378.303 3.862 20 5 GHBDMN Cc1[nH]c2ccccc2c1C1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000053743482 878344023 /nfs/dbraw/zinc/34/40/23/878344023.db2.gz ZCNPWQJNRCFKGO-UHFFFAOYSA-N 0 1 392.459 3.863 20 5 GHBDMN O=C1NCCCC[C@H]1NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000237930635 878347754 /nfs/dbraw/zinc/34/77/54/878347754.db2.gz HGOHHHBUWNLHQN-OAHLLOKOSA-N 0 1 389.839 3.799 20 5 GHBDMN O=[N+]([O-])c1cccc([C@@H](O)CN2CCc3nc(-c4ccccc4)sc3C2)c1 ZINC000852474406 878356981 /nfs/dbraw/zinc/35/69/81/878356981.db2.gz ARGQVUDHUUCYKT-SFHVURJKSA-N 0 1 381.457 3.810 20 5 GHBDMN Cc1ccc([N+](=O)[O-])c(C)c1NS(=O)(=O)c1ccc(C(=O)C(C)C)cc1 ZINC000538004411 878656055 /nfs/dbraw/zinc/65/60/55/878656055.db2.gz LIGUGHYDGFSXFM-UHFFFAOYSA-N 0 1 376.434 3.851 20 5 GHBDMN CCCc1[nH]nc(C(=O)N(C)[C@@H](C)c2nc3cc(Cl)ccc3[nH]2)c1[N+](=O)[O-] ZINC000597725331 879286796 /nfs/dbraw/zinc/28/67/96/879286796.db2.gz OJJSHOIYTWEKLH-VIFPVBQESA-N 0 1 390.831 3.633 20 5 GHBDMN CC(C)(C)c1ccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000493973682 879792127 /nfs/dbraw/zinc/79/21/27/879792127.db2.gz YDNIMASBKMOKPI-GOSISDBHSA-N 0 1 381.476 3.897 20 5 GHBDMN CCc1[nH]nc(C(=O)N2CCC(F)(Cc3ccc(Cl)cc3)CC2)c1[N+](=O)[O-] ZINC000452825393 880107465 /nfs/dbraw/zinc/10/74/65/880107465.db2.gz UGXQVWJSNLEQNL-UHFFFAOYSA-N 0 1 394.834 3.721 20 5 GHBDMN O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000181355074 883143713 /nfs/dbraw/zinc/14/37/13/883143713.db2.gz RWRGXHJJIKRLOM-CQSZACIVSA-N 0 1 395.394 3.539 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)c1ccc(NC(=O)NC(C)C)cc1 ZINC000542499182 883569439 /nfs/dbraw/zinc/56/94/39/883569439.db2.gz OVMXDOBNFLCXHR-AWEZNQCLSA-N 0 1 386.452 3.984 20 5 GHBDMN CCN1CCN(c2ccccc2NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000609854083 883734695 /nfs/dbraw/zinc/73/46/95/883734695.db2.gz LVGZAZOWGZWCBR-UHFFFAOYSA-N 0 1 388.855 3.642 20 5 GHBDMN Cc1cc(C2CCN(c3cc(C)nc(-c4ccc([N+](=O)[O-])cc4)n3)CC2)[nH]n1 ZINC000542505344 883749793 /nfs/dbraw/zinc/74/97/93/883749793.db2.gz DRJWEHLXOLVZNW-UHFFFAOYSA-N 0 1 378.436 3.776 20 5 GHBDMN Cc1ccc(S(=O)(=O)Nc2cc(F)cc([N+](=O)[O-])c2)cc1Br ZINC000475830181 884777323 /nfs/dbraw/zinc/77/73/23/884777323.db2.gz JKGSHLRXTHUGBO-UHFFFAOYSA-N 0 1 389.202 3.606 20 5 GHBDMN CCN(CC)[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1Cl ZINC000032316081 885915722 /nfs/dbraw/zinc/91/57/22/885915722.db2.gz GKIAQJXKBRCMPP-IBGZPJMESA-N 0 1 389.883 3.990 20 5 GHBDMN C[C@H]1C[C@@H](c2ccc(F)cc2)CN1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000532579541 886163553 /nfs/dbraw/zinc/16/35/53/886163553.db2.gz OZQNWAFSYXLEAA-WMLDXEAASA-N 0 1 383.423 3.501 20 5 GHBDMN O=C(CCC(F)(F)F)N1CCC[C@@H](NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000808422444 886308147 /nfs/dbraw/zinc/30/81/47/886308147.db2.gz PJHDYMVHYGFFNM-GFCCVEGCSA-N 0 1 393.793 3.671 20 5 GHBDMN CCc1[nH]nc(C(=O)N2CCC(c3nc4ccccc4s3)CC2)c1[N+](=O)[O-] ZINC000171368043 886663253 /nfs/dbraw/zinc/66/32/53/886663253.db2.gz MPHIGHRZVJFPOD-UHFFFAOYSA-N 0 1 385.449 3.510 20 5 GHBDMN CC(C)(C)c1nc2ccc(NC(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)cc2[nH]1 ZINC000032465935 886678871 /nfs/dbraw/zinc/67/88/71/886678871.db2.gz OQDGPFBVAYRTBL-UHFFFAOYSA-N 0 1 382.376 3.750 20 5 GHBDMN COc1cc(-c2nc([C@H](N)C(C)C)no2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000863656086 887266522 /nfs/dbraw/zinc/26/65/22/887266522.db2.gz IYOQJJIFUZVDAJ-GOSISDBHSA-N 0 1 398.419 3.888 20 5 GHBDMN CCN(CC)[C@@H](CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000272541950 887672383 /nfs/dbraw/zinc/67/23/83/887672383.db2.gz PDVBSWNWLVLKFJ-ICSRJNTNSA-N 0 1 397.479 3.683 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(c2ncc(C(F)(F)F)[nH]2)CC1 ZINC000134023072 887825552 /nfs/dbraw/zinc/82/55/52/887825552.db2.gz TUAQGDLADLMIHO-UHFFFAOYSA-N 0 1 382.342 3.665 20 5 GHBDMN CC(C)[C@@H](CC(F)(F)F)NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809837293 887857144 /nfs/dbraw/zinc/85/71/44/887857144.db2.gz XAASIWPUVIZSFQ-SECBINFHSA-N 0 1 392.758 3.643 20 5 GHBDMN CCOc1ccc([C@@H](C)NCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000809872615 887898272 /nfs/dbraw/zinc/89/82/72/887898272.db2.gz IXQJCTLILGHQQE-GFCCVEGCSA-N 0 1 377.828 3.936 20 5 GHBDMN CCc1ccc([C@@H](c2cccnc2)N(CC)C(=O)c2n[nH]c(C)c2[N+](=O)[O-])cc1 ZINC000496512523 888870284 /nfs/dbraw/zinc/87/02/84/888870284.db2.gz DVNLFROAJGDITJ-FQEVSTJZSA-N 0 1 393.447 3.835 20 5 GHBDMN CCc1nc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)n[nH]1 ZINC000496772818 889061955 /nfs/dbraw/zinc/06/19/55/889061955.db2.gz ZJDSCMOPTJVYDE-GFCCVEGCSA-N 0 1 381.392 3.559 20 5 GHBDMN CCN(C[C@@H]1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1)CC(F)(F)F ZINC000154135191 889320180 /nfs/dbraw/zinc/32/01/80/889320180.db2.gz QECGTUBHOMQVOG-ZDUSSCGKSA-N 0 1 379.810 3.954 20 5 GHBDMN CN(CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1cccc2ccccc21 ZINC000532919008 889327240 /nfs/dbraw/zinc/32/72/40/889327240.db2.gz BQBBDZLKDDCQMX-UHFFFAOYSA-N 0 1 375.428 3.769 20 5 GHBDMN CCO[C@@H]1C[C@H](NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])[C@]12CCCO2 ZINC000811490082 889640219 /nfs/dbraw/zinc/64/02/19/889640219.db2.gz LYHDHLQAUNYHRI-SQWLQELKSA-N 0 1 375.252 3.718 20 5 GHBDMN CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000811826486 890044185 /nfs/dbraw/zinc/04/41/85/890044185.db2.gz SHULGWUSAJGLIG-CQSZACIVSA-N 0 1 393.447 3.523 20 5 GHBDMN CCC[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000533292722 890208955 /nfs/dbraw/zinc/20/89/55/890208955.db2.gz DNZWDWUMXISYJQ-MOPGFXCFSA-N 0 1 389.496 3.644 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N2CCC(Oc3ccccc3Cl)CC2)c1[N+](=O)[O-] ZINC000533583189 890895950 /nfs/dbraw/zinc/89/59/50/890895950.db2.gz CCBYFLRKENZEHD-UHFFFAOYSA-N 0 1 392.843 3.778 20 5 GHBDMN CSc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1cccc(CS(C)(=O)=O)c1 ZINC000872031663 891125940 /nfs/dbraw/zinc/12/59/40/891125940.db2.gz SGDBDVSSHPEYEX-ZDUSSCGKSA-N 0 1 394.518 3.712 20 5 GHBDMN C[C@@H](N[C@@H](C)c1ccc2c(c1)OCO2)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000192465263 892502203 /nfs/dbraw/zinc/50/22/03/892502203.db2.gz WVQLQGICZZPHFH-WDEREUQCSA-N 0 1 391.811 3.655 20 5 GHBDMN C[C@H](N[C@@H](C)c1ccc2c(c1)OCO2)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000192465087 892502505 /nfs/dbraw/zinc/50/25/05/892502505.db2.gz JIBLBNBKWZFSFI-QWRGUYRKSA-N 0 1 391.811 3.655 20 5 GHBDMN CCN(C[C@H]1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])C1)CC(F)(F)F ZINC000747966641 893023921 /nfs/dbraw/zinc/02/39/21/893023921.db2.gz HEQNLEXVYNJEMP-GFCCVEGCSA-N 0 1 379.810 3.954 20 5 GHBDMN CCc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000918146640 893229121 /nfs/dbraw/zinc/22/91/21/893229121.db2.gz GIFBKCSUQDTULG-UHFFFAOYSA-N 0 1 385.239 3.721 20 5 GHBDMN COC[C@H]1CCN(Cc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C1 ZINC000536673835 893510961 /nfs/dbraw/zinc/51/09/61/893510961.db2.gz UGFGOVHYFLASQP-KRWDZBQOSA-N 0 1 386.448 3.651 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000459674149 894046370 /nfs/dbraw/zinc/04/63/70/894046370.db2.gz KFGIHTHVJQEJJO-IEBWSBKVSA-N 0 1 383.448 3.810 20 5 GHBDMN CN(C)[C@H](CNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000778301758 894185014 /nfs/dbraw/zinc/18/50/14/894185014.db2.gz KFVACKSFKGJXII-MRXNPFEDSA-N 0 1 397.809 3.759 20 5 GHBDMN CSC[C@H]1CCCN(Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC000878647352 894482026 /nfs/dbraw/zinc/48/20/26/894482026.db2.gz LTQACGNNQQVSLG-NSHDSACASA-N 0 1 382.873 3.873 20 5 GHBDMN O=[N+]([O-])c1ccc(Cl)c(CNC[C@H](O)COCc2ccc(Cl)cc2)c1 ZINC000819149687 896405087 /nfs/dbraw/zinc/40/50/87/896405087.db2.gz KUXIIUDQZDVJBV-INIZCTEOSA-N 0 1 385.247 3.569 20 5 GHBDMN O=[N+]([O-])c1cccc([C@@H](O)CN[C@@H]2CSc3ccc(Br)cc32)c1 ZINC000819270501 896558066 /nfs/dbraw/zinc/55/80/66/896558066.db2.gz ASHWYJDKVAEEOJ-CABCVRRESA-N 0 1 395.278 3.827 20 5 GHBDMN CC(=O)c1cc(NC[C@H]2CN(Cc3ccccc3)CCCO2)ccc1[N+](=O)[O-] ZINC000567377299 897103639 /nfs/dbraw/zinc/10/36/39/897103639.db2.gz HISNURZIAVRGFN-IBGZPJMESA-N 0 1 383.448 3.500 20 5 GHBDMN O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc(-c3ncco3)c2)ccc1Cl ZINC000132750604 897893548 /nfs/dbraw/zinc/89/35/48/897893548.db2.gz LKFZPCFCKOLGGQ-UHFFFAOYSA-N 0 1 379.781 3.704 20 5 GHBDMN CC1(CN[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)COC1 ZINC000112708968 898915731 /nfs/dbraw/zinc/91/57/31/898915731.db2.gz IUPZIIGWQYQDHS-QGZVFWFLSA-N 0 1 389.839 3.554 20 5 GHBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)C[C@](C)(O)c1ccccc1 ZINC000823598253 899122140 /nfs/dbraw/zinc/12/21/40/899122140.db2.gz GUHYDBZXWRUSRI-XOBRGWDASA-N 0 1 382.420 3.545 20 5 GHBDMN CC(C)c1nc([C@H]2CCCCN2C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)n[nH]1 ZINC000331923558 899268429 /nfs/dbraw/zinc/26/84/29/899268429.db2.gz OQSDGCCKPJUHNC-CQSZACIVSA-N 0 1 377.832 3.857 20 5 GHBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(n2cc(Br)cn2)CC1 ZINC000332441957 899673120 /nfs/dbraw/zinc/67/31/20/899673120.db2.gz JDZVZRVWETVVAP-LBPRGKRZSA-N 0 1 379.258 3.952 20 5 GHBDMN Cc1ccc([C@@H](C)NCC(=O)NCc2cccc(COC(C)C)c2)cc1[N+](=O)[O-] ZINC000572624634 900238573 /nfs/dbraw/zinc/23/85/73/900238573.db2.gz UKCIFCRGGFFBTB-QGZVFWFLSA-N 0 1 399.491 3.795 20 5 GHBDMN COc1ccc(C(C)(C)C)cc1NS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000005127038 914566876 /nfs/dbraw/zinc/56/68/76/914566876.db2.gz IJZFCEOIVOQVLD-UHFFFAOYSA-N 0 1 394.449 3.710 20 5 GHBDMN O=C(NCC/C=C/c1ccc(Br)cc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC001148839903 904226133 /nfs/dbraw/zinc/22/61/33/904226133.db2.gz WAYHLSRBISHOCI-HNQUOIGGSA-N 0 1 391.221 3.896 20 5 GHBDMN Cc1c(NC(=O)[C@H](C)N2CC[C@H](Cc3ccc(F)cc3)C2)cccc1[N+](=O)[O-] ZINC000579057510 904320097 /nfs/dbraw/zinc/32/00/97/904320097.db2.gz XLLHAUHMTTVOAU-DOTOQJQBSA-N 0 1 385.439 3.934 20 5 GHBDMN CCOc1ccc([C@H](C)N[C@H]2CCN(c3ccc(C)cc3)C2=O)cc1[N+](=O)[O-] ZINC000773015872 904377212 /nfs/dbraw/zinc/37/72/12/904377212.db2.gz OULJDXGSYHFOJF-YJBOKZPZSA-N 0 1 383.448 3.758 20 5 GHBDMN Cc1cc(Cl)c(C(=O)NCCN(C)Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000826657220 904708493 /nfs/dbraw/zinc/70/84/93/904708493.db2.gz FDIQBNSMHKSIMZ-UHFFFAOYSA-N 0 1 379.819 3.558 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H]([C@@H]2CCCC2(C)C)C1 ZINC001171455678 904719761 /nfs/dbraw/zinc/71/97/61/904719761.db2.gz CJZDLNUCIJIXPJ-HOCLYGCPSA-N 0 1 375.469 3.690 20 5 GHBDMN COc1ccccc1C[C@@H](C)N(C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000174033585 905190678 /nfs/dbraw/zinc/19/06/78/905190678.db2.gz KSMRFAQEXHETDC-CQSZACIVSA-N 0 1 382.420 3.716 20 5 GHBDMN O=[N+]([O-])c1ccc2c(c1)CC[C@@H](N1CCO[C@@H](COc3ccccc3)C1)CC2 ZINC001172920046 905990863 /nfs/dbraw/zinc/99/08/63/905990863.db2.gz IAZIYFNSXSJLJC-SIKLNZKXSA-N 0 1 382.460 3.622 20 5 GHBDMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000901521877 921197426 /nfs/dbraw/zinc/19/74/26/921197426.db2.gz IRLDCMNFXHBLPK-SECBINFHSA-N 0 1 391.287 3.742 20 5 GHBDMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000901521877 921197432 /nfs/dbraw/zinc/19/74/32/921197432.db2.gz IRLDCMNFXHBLPK-SECBINFHSA-N 0 1 391.287 3.742 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N(C)Cc2cccc3c2OCO3)c1F ZINC001173191964 906275783 /nfs/dbraw/zinc/27/57/83/906275783.db2.gz GULQXSNGTAMADA-GFCCVEGCSA-N 0 1 376.384 3.534 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CC[C@@H](Oc3cccc(F)c3)C2)c1F ZINC001173192031 906276018 /nfs/dbraw/zinc/27/60/18/906276018.db2.gz HIUQLWLUHLIMMM-CZUORRHYSA-N 0 1 392.402 3.966 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CC[C@H](Oc3ccc(C)cn3)C2)c1F ZINC001173193619 906277327 /nfs/dbraw/zinc/27/73/27/906277327.db2.gz UQZYXAWHQIAOCK-CABCVRRESA-N 0 1 389.427 3.530 20 5 GHBDMN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCO[C@@]2(CCCN(c3ccccc3)C2)C1 ZINC001173223460 906303116 /nfs/dbraw/zinc/30/31/16/906303116.db2.gz FXUQKSAOYLGBMO-XXBNENTESA-N 0 1 395.503 3.897 20 5 GHBDMN O=[N+]([O-])c1ccc(N2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)cc1OC(F)F ZINC000181243763 906954253 /nfs/dbraw/zinc/95/42/53/906954253.db2.gz CTMCPFQJVOWAFT-LLVKDONJSA-N 0 1 379.367 3.576 20 5 GHBDMN O=[N+]([O-])c1ccc(N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)cc1OC(F)F ZINC000181243763 906954267 /nfs/dbraw/zinc/95/42/67/906954267.db2.gz CTMCPFQJVOWAFT-LLVKDONJSA-N 0 1 379.367 3.576 20 5 GHBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCC[C@@H](C)[C@H]2CO)cc1OC ZINC001175004203 907321644 /nfs/dbraw/zinc/32/16/44/907321644.db2.gz OBSWEGLVMGFKMA-HDMKZQKVSA-N 0 1 380.485 3.621 20 5 GHBDMN C[C@@H]1CN(Cc2ccccc2)C[C@]2(CCN(Cc3c(F)cccc3[N+](=O)[O-])C2)O1 ZINC001175678436 907689140 /nfs/dbraw/zinc/68/91/40/907689140.db2.gz QIUYPWBQWVDDCR-VGOFRKELSA-N 0 1 399.466 3.599 20 5 GHBDMN Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CC[C@H](C(C)(C)O)C2)c([N+](=O)[O-])c1 ZINC001175883455 907791224 /nfs/dbraw/zinc/79/12/24/907791224.db2.gz VEWHSBOGUZASSD-FXAWDEMLSA-N 0 1 397.475 3.676 20 5 GHBDMN Nc1c2cccnc2c2ncccc2c1Nc1ccc(CCN2CCOCC2)cc1 ZINC001176385928 908063817 /nfs/dbraw/zinc/06/38/17/908063817.db2.gz LNVGEPBWJKYQCU-UHFFFAOYSA-N 0 1 399.498 3.984 20 5 GHBDMN O=C(Nc1ccc2nc(C3CCC3)[nH]c2c1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000299513210 921395752 /nfs/dbraw/zinc/39/57/52/921395752.db2.gz CAIMJPCEKUDJSC-UHFFFAOYSA-N 0 1 394.387 3.762 20 5 GHBDMN CCNC(=O)c1ccc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC001177257227 908493805 /nfs/dbraw/zinc/49/38/05/908493805.db2.gz SFFMCFDPJGTYGN-UHFFFAOYSA-N 0 1 379.416 3.894 20 5 GHBDMN COc1ccccc1[C@H](CNC(=O)c1cc(C)cc([N+](=O)[O-])c1)N1CCCCC1 ZINC000195692555 909032640 /nfs/dbraw/zinc/03/26/40/909032640.db2.gz DULIHWGNYUMWNC-FQEVSTJZSA-N 0 1 397.475 3.869 20 5 GHBDMN C[C@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])c1cccc(N2CCCS2(=O)=O)c1 ZINC000266501245 909198609 /nfs/dbraw/zinc/19/86/09/909198609.db2.gz VPGMJHGSWRLORO-GJZGRUSLSA-N 0 1 389.477 3.547 20 5 GHBDMN CC[C@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])c1ccccc1OCC(=O)N(C)C ZINC000266846618 909318083 /nfs/dbraw/zinc/31/80/83/909318083.db2.gz ICNSFCIJCRQHME-YJBOKZPZSA-N 0 1 385.464 3.864 20 5 GHBDMN CC(=O)NCc1ccc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC001179129106 909393815 /nfs/dbraw/zinc/39/38/15/909393815.db2.gz LIUKLGKOWJRFOU-UHFFFAOYSA-N 0 1 379.416 3.781 20 5 GHBDMN C[C@@H](CNC(=O)c1ccc(Nc2ccncc2)cc1)c1ccccc1[N+](=O)[O-] ZINC001179400252 909503658 /nfs/dbraw/zinc/50/36/58/909503658.db2.gz XZPUUNGWGOTXNA-HNNXBMFYSA-N 0 1 376.416 3.689 20 5 GHBDMN O=[N+]([O-])c1nc[nH]c1-c1nc(-c2ccc(Cl)c(OC(F)(F)F)c2)no1 ZINC001212893102 911370469 /nfs/dbraw/zinc/37/04/69/911370469.db2.gz MGUJCLCOKAFICZ-UHFFFAOYSA-N 0 1 375.650 3.587 20 5 GHBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)[C@H]1CC[C@@H]1c1ccc(F)cc1 ZINC001182600087 911915231 /nfs/dbraw/zinc/91/52/31/911915231.db2.gz KCADFEQXQLNRRF-CVEARBPZSA-N 0 1 381.367 3.651 20 5 GHBDMN COc1ccc(NC(=O)CN2C[C@@H](c3ccccc3C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000303754299 915085896 /nfs/dbraw/zinc/08/58/96/915085896.db2.gz MQMYQCCHNDDWIJ-CVEARBPZSA-N 0 1 383.448 3.728 20 5 GHBDMN Cc1c(NC(=O)[C@H](C)N[C@@H](C)[C@@H]2OCCc3sccc32)cccc1[N+](=O)[O-] ZINC000292089346 915512108 /nfs/dbraw/zinc/51/21/08/915512108.db2.gz NNKMUXCAEWHKHT-LXIYXOSZSA-N 0 1 389.477 3.584 20 5 GHBDMN Cc1ccccc1[C@H]1C[C@@H](C)N(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC001191155952 917789271 /nfs/dbraw/zinc/78/92/71/917789271.db2.gz JIEWXYVWTFGQKI-AEFFLSMTSA-N 0 1 379.460 3.670 20 5 GHBDMN C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000296367476 918190412 /nfs/dbraw/zinc/19/04/12/918190412.db2.gz DWTYKDOAQQXLHT-JKSUJKDBSA-N 0 1 397.479 3.576 20 5 GHBDMN CC(C)(C)OC(=O)N1CC[C@H](N(Cc2ccc([N+](=O)[O-])c(F)c2)C2CC2)C1 ZINC000801523686 921095810 /nfs/dbraw/zinc/09/58/10/921095810.db2.gz FMZCVLOIIJIBOA-HNNXBMFYSA-N 0 1 379.432 3.708 20 5 GHBDMN Cc1ccc(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(-c2ccnn2C)c1 ZINC000802636352 922274048 /nfs/dbraw/zinc/27/40/48/922274048.db2.gz DTHQKFCFYCPXPS-UHFFFAOYSA-N 0 1 391.475 3.626 20 5 GHBDMN Cc1ccc(C=Cc2n[nH]c(SCCC(=O)Nc3ccccc3[N+](=O)[O-])n2)o1 ZINC000409854571 925069571 /nfs/dbraw/zinc/06/95/71/925069571.db2.gz SQIOQKBLLLJKMQ-CMDGGOBGSA-N 0 1 399.432 3.906 20 5 GHBDMN CC(C)c1nc2c([nH]1)CC[C@@H](C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)C2 ZINC000372453025 925441373 /nfs/dbraw/zinc/44/13/73/925441373.db2.gz FYAGUAPNPHATNI-MRXNPFEDSA-N 0 1 384.480 3.685 20 5 GHBDMN COc1cccc(C2(F)CCN(C(=O)c3[nH]nc4ccc([N+](=O)[O-])cc43)CC2)c1 ZINC000410227964 925442558 /nfs/dbraw/zinc/44/25/58/925442558.db2.gz SDLFJMSTTVQZTK-UHFFFAOYSA-N 0 1 398.394 3.581 20 5 GHBDMN O=[N+]([O-])c1cccc([C@@H](O)CN2CCN(Cc3cccc4ccccc43)CC2)c1 ZINC000749640759 927221095 /nfs/dbraw/zinc/22/10/95/927221095.db2.gz VBUAXMWWRRGJPJ-QHCPKHFHSA-N 0 1 391.471 3.599 20 5 GHBDMN COc1ccc(CC2CCN(Cn3ncc4cc([N+](=O)[O-])ccc43)CC2)cc1 ZINC000749882892 927329797 /nfs/dbraw/zinc/32/97/97/927329797.db2.gz BHNHRCFOMALKAO-UHFFFAOYSA-N 0 1 380.448 3.865 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2noc(CN3CCCC[C@@H]3[C@@H](O)c3ccccc3)n2)c1 ZINC000750608417 927746123 /nfs/dbraw/zinc/74/61/23/927746123.db2.gz GMYJDCNABVPLSH-QUCCMNQESA-N 0 1 394.431 3.733 20 5 GHBDMN Cc1ccc([C@H](C)NC(=O)Nc2ccccc2N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000751994350 928535994 /nfs/dbraw/zinc/53/59/94/928535994.db2.gz DLPBWTYQOAPHRI-INIZCTEOSA-N 0 1 397.479 3.538 20 5 GHBDMN Cc1cc(Cl)c(S(=O)(=O)Nc2ccc3c(c2)CCCO3)cc1[N+](=O)[O-] ZINC000753081350 929195748 /nfs/dbraw/zinc/19/57/48/929195748.db2.gz HUWVPCIMEFCLFI-UHFFFAOYSA-N 0 1 382.825 3.682 20 5 GHBDMN CC[C@H]1CN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CCN1Cc1ccccc1 ZINC000544770121 929562777 /nfs/dbraw/zinc/56/27/77/929562777.db2.gz UPRXOJPNBHTQLY-KRWDZBQOSA-N 0 1 392.459 3.813 20 5 GHBDMN CCN(CC)[C@H](CNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)c1ccco1 ZINC000757203225 929675976 /nfs/dbraw/zinc/67/59/76/929675976.db2.gz KSWZUUALGIVOMH-MRXNPFEDSA-N 0 1 394.859 3.724 20 5 GHBDMN O=[N+]([O-])c1cc(Br)cc(-c2nc(-c3ccc4[nH]cnc4c3)no2)c1 ZINC000547150448 930740498 /nfs/dbraw/zinc/74/04/98/930740498.db2.gz IPNDHLJIUCBLRH-UHFFFAOYSA-N 0 1 386.165 3.951 20 5 GHBDMN CN1CCN(c2ncccc2CNc2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000557526426 931518915 /nfs/dbraw/zinc/51/89/15/931518915.db2.gz IXBATMZQELARIM-UHFFFAOYSA-N 0 1 396.278 3.661 20 5 GHBDMN O=[N+]([O-])c1ccc(CN[C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)cc1Cl ZINC000783625816 931599366 /nfs/dbraw/zinc/59/93/66/931599366.db2.gz FUTLVXMPINHFOV-HOCLYGCPSA-N 0 1 388.773 3.872 20 5 GHBDMN CCNC(=O)[C@@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(C)C ZINC000559311977 932591472 /nfs/dbraw/zinc/59/14/72/932591472.db2.gz BCWJVFURGUGTRP-KRWDZBQOSA-N 0 1 379.844 3.759 20 5 GHBDMN C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000799155724 932890692 /nfs/dbraw/zinc/89/06/92/932890692.db2.gz JVUBEPNLUJJAAN-XGWTYTTDSA-N 0 1 392.887 3.817 20 5 GHBDMN Cc1n[nH]c(=O)c(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)c1C ZINC001116489420 933588526 /nfs/dbraw/zinc/58/85/26/933588526.db2.gz YPGKFYGOFDANJW-UHFFFAOYSA-N 0 1 388.811 3.910 20 5 GHBDMN COc1cc(CN2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c([N+](=O)[O-])cc1F ZINC001116633270 933675971 /nfs/dbraw/zinc/67/59/71/933675971.db2.gz WBKZKBNHQFBJDW-CYBMUJFWSA-N 0 1 384.411 3.998 20 5 GHBDMN O=C(Nc1ccc(Br)c(O)c1)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC001117936380 934062872 /nfs/dbraw/zinc/06/28/72/934062872.db2.gz XPHSXIDBVPJHMX-UHFFFAOYSA-N 0 1 376.166 3.797 20 5 GHBDMN O=C(CCc1ccc([N+](=O)[O-])cc1Cl)NC[C@H](c1ccco1)N1CCCC1 ZINC001124264636 935366262 /nfs/dbraw/zinc/36/62/62/935366262.db2.gz ZRWHGYTWIVYURG-QGZVFWFLSA-N 0 1 391.855 3.727 20 5 GHBDMN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)Nc2ccc([C@H]3CCOC3)cc2)c1 ZINC000830009093 935889850 /nfs/dbraw/zinc/88/98/50/935889850.db2.gz PQAYSWLGDYFKKX-ZDUSSCGKSA-N 0 1 396.852 3.861 20 5 GHBDMN Cc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)cc1[N+](=O)[O-] ZINC001594350145 958343906 /nfs/dbraw/zinc/34/39/06/958343906.db2.gz SWQNNXZHUQMASO-GDBMZVCRSA-N 0 1 387.436 3.648 20 5 GHBDMN CCN(CC)[C@H](CNC(=O)CCc1c(Cl)cccc1[N+](=O)[O-])c1ccco1 ZINC001625961412 1014592410 /nfs/dbraw/zinc/59/24/10/1014592410.db2.gz OHGPZMCOFHIGOT-QGZVFWFLSA-N 0 1 393.871 3.973 20 5 GHBDMN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(F)c(-c2nc[nH]n2)c1 ZINC000468195234 1015392309 /nfs/dbraw/zinc/39/23/09/1015392309.db2.gz DHKZKYXEEJAVSZ-SNVBAGLBSA-N 0 1 387.396 3.638 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001599622400 994102180 /nfs/dbraw/zinc/10/21/80/994102180.db2.gz KLUOCMIVVKWYEN-HNNXBMFYSA-N 0 1 385.203 3.826 20 5 GHBDMN C[C@@H]([NH2+][C@@H](C(=O)[O-])c1ccccc1Br)c1cccc([N+](=O)[O-])c1 ZINC001593194367 994134038 /nfs/dbraw/zinc/13/40/38/994134038.db2.gz FZOGEFPBIMSPEG-MEBBXXQBSA-N 0 1 379.210 3.834 20 5 GHBDMN COc1ccc(-n2ccc(CNC/C(C)=C\c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000468627144 1015857573 /nfs/dbraw/zinc/85/75/73/1015857573.db2.gz CTIJMDUBGDPVAP-VBKFSLOCSA-N 0 1 378.432 3.982 20 5 GHBDMN C[C@H](c1cc2ccccc2o1)[N@@H+](C)Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001593686663 996123175 /nfs/dbraw/zinc/12/31/75/996123175.db2.gz LROQTTYUPBWALZ-CYBMUJFWSA-N 0 1 384.388 3.997 20 5 GHBDMN C[C@@]1(CNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CC[N@@H+](Cc2ccccc2)C1 ZINC001594033531 997620015 /nfs/dbraw/zinc/62/00/15/997620015.db2.gz YLKWECWAXTYNRK-NRFANRHFSA-N 0 1 383.448 3.546 20 5 GHBDMN COc1ccc(NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)c2ncccc12 ZINC001154537255 1032170906 /nfs/dbraw/zinc/17/09/06/1032170906.db2.gz PMOGQAUFOUXVOU-UHFFFAOYSA-N 0 1 389.371 3.794 20 5 GHBDMN CCOC(=O)c1ccc(O[C@@H]2CCCN([C@H](C)c3ccccn3)C2)c([N+](=O)[O-])c1 ZINC001227301948 1032362816 /nfs/dbraw/zinc/36/28/16/1032362816.db2.gz SALYCPVJBPCOJE-NVXWUHKLSA-N 0 1 399.447 3.771 20 5 GHBDMN Cc1ccc(CNCC(=O)Nc2ccc(Br)c(C)c2)cc1[N+](=O)[O-] ZINC000558273043 1017154999 /nfs/dbraw/zinc/15/49/99/1017154999.db2.gz VGJMCLNHCGDYLF-UHFFFAOYSA-N 0 1 392.253 3.702 20 5 GHBDMN O=C(O[C@H]1CCN(Cc2ccccc2)C1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000779212520 1020525357 /nfs/dbraw/zinc/52/53/57/1020525357.db2.gz VODCJZPPRVKBIE-HNNXBMFYSA-N 0 1 392.358 3.628 20 5 GHBDMN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C)N1CCc2ccccc2C1 ZINC000754093857 1022476583 /nfs/dbraw/zinc/47/65/83/1022476583.db2.gz FZSRZEUOWMWAIH-NOCRFKNCSA-N 0 1 379.460 3.561 20 5 GHBDMN Cc1cc([N+](=O)[O-])c(C(=O)NC[C@H](c2cccc(F)c2)N(C)C)cc1Cl ZINC000836251154 1022771318 /nfs/dbraw/zinc/77/13/18/1022771318.db2.gz DHPNBSFQYLNWGB-QGZVFWFLSA-N 0 1 379.819 3.728 20 5 GHBDMN C[C@H](C(=O)OC[C@@H]1CCCN1Cc1ccco1)c1ccc([N+](=O)[O-])cc1F ZINC000755745509 1023360090 /nfs/dbraw/zinc/36/00/90/1023360090.db2.gz DUVNVGARBSJWOT-ZFWWWQNUSA-N 0 1 376.384 3.638 20 5 GHBDMN Cc1ccc2nc([C@H]3CCCN(C(=O)c4cc([N+](=O)[O-])ccc4F)C3)[nH]c2c1 ZINC000830900411 1024230242 /nfs/dbraw/zinc/23/02/42/1024230242.db2.gz XJESRBJVUJBJSM-ZDUSSCGKSA-N 0 1 382.395 3.938 20 5 GHBDMN CC(C)(C)[C@H](CN1CCOCC1)Nc1ccc2c(ccc(Cl)c2[N+](=O)[O-])n1 ZINC001162876863 1025950776 /nfs/dbraw/zinc/95/07/76/1025950776.db2.gz VJOBPWURHFQOER-INIZCTEOSA-N 0 1 392.887 3.955 20 5 GHBDMN CC(C)(COCc1ccccc1)NCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839592062 1026091334 /nfs/dbraw/zinc/09/13/34/1026091334.db2.gz OTGCLWUEOSYTKW-UHFFFAOYSA-N 0 1 391.855 3.772 20 5 GHBDMN O=[N+]([O-])c1cc2c(Cl)ncnc2cc1N1CC2(CN(Cc3ccccc3)C2)C1 ZINC001165122726 1026617525 /nfs/dbraw/zinc/61/75/25/1026617525.db2.gz MWYVMBIOJZECGT-UHFFFAOYSA-N 0 1 395.850 3.514 20 5 GHBDMN C[C@]1(c2cccc(F)c2)CCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)C1 ZINC001165397128 1026718146 /nfs/dbraw/zinc/71/81/46/1026718146.db2.gz PECYPCWIFWRNII-NRFANRHFSA-N 0 1 394.406 3.928 20 5 GHBDMN COC(=O)c1cc(Br)cc(Nc2ccc(O)c([N+](=O)[O-])c2)c1C ZINC001210397692 1027487590 /nfs/dbraw/zinc/48/75/90/1027487590.db2.gz CVCKXASLJFEGCY-UHFFFAOYSA-N 0 1 381.182 3.902 20 5 GHBDMN O=[N+]([O-])c1cc(Nc2cc(-c3cccc(Br)n3)no2)ccc1O ZINC001210396705 1027488224 /nfs/dbraw/zinc/48/82/24/1027488224.db2.gz XBMGXRSNCLPDKX-UHFFFAOYSA-N 0 1 377.154 3.857 20 5 GHBDMN CN(C)C(=O)c1cc(Br)ccc1Nc1ccc(O)c([N+](=O)[O-])c1 ZINC001210399125 1027489762 /nfs/dbraw/zinc/48/97/62/1027489762.db2.gz OIGKZKWUADWLCC-UHFFFAOYSA-N 0 1 380.198 3.508 20 5 GHBDMN CC(C)(/C=C\Cl)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC001203734693 1027561482 /nfs/dbraw/zinc/56/14/82/1027561482.db2.gz UVBUFTXQXCVPOQ-ARJAWSKDSA-N 0 1 380.613 3.820 20 5 GHBDMN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1CCC[C@H]1Cc1ccc(F)cc1 ZINC001142024036 1027909089 /nfs/dbraw/zinc/90/90/89/1027909089.db2.gz XNPLESVNWPFGHA-SFHVURJKSA-N 0 1 394.406 3.971 20 5 GHBDMN O=[N+]([O-])c1ccc(OC[C@@H]2CN(Cc3ccccc3)CCCO2)c(F)c1F ZINC000842076444 1029058323 /nfs/dbraw/zinc/05/83/23/1029058323.db2.gz NHUWRUGINUREBV-HNNXBMFYSA-N 0 1 378.375 3.543 20 5 GHBDMN Cc1c(-c2nc(-c3cccc(N4CCN(C)CC4)c3)no2)cc(F)cc1[N+](=O)[O-] ZINC001216902380 1029989606 /nfs/dbraw/zinc/98/96/06/1029989606.db2.gz LKRQAVHREFKZFI-UHFFFAOYSA-N 0 1 397.410 3.511 20 5 GHBDMN O=[N+]([O-])c1cc(O)cc(-c2nc(-c3ccc(F)cc3Br)no2)c1 ZINC001216924573 1030006192 /nfs/dbraw/zinc/00/61/92/1030006192.db2.gz QTXSXJWSMPFAHI-UHFFFAOYSA-N 0 1 380.129 3.919 20 5 GHBDMN Cc1ccc(C(=O)c2cc([O-])c(O[C@@H]3CCC[C@@]34CC[NH2+]C4)c([N+](=O)[O-])c2)cc1 ZINC001218092863 1030766864 /nfs/dbraw/zinc/76/68/64/1030766864.db2.gz IFNMAYFLCDXZPF-KNQAVFIVSA-N 0 1 396.443 3.751 20 5 GHBDMN CCOC(=O)c1ccc(CO[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001223964708 1030829771 /nfs/dbraw/zinc/82/97/71/1030829771.db2.gz WBAUSQUPIFTBRD-LJQANCHMSA-N 0 1 384.432 3.563 20 5 GHBDMN Nc1cnc(Cl)c(NC(=O)[C@@H](N)Cc2c3ccccc3cc3ccccc32)n1 ZINC001218673946 1031030164 /nfs/dbraw/zinc/03/01/64/1031030164.db2.gz KVXFFLFCMUSLNA-KRWDZBQOSA-N 0 1 391.862 3.527 20 5 GHBDMN Cc1ccc(C(N)=O)cc1NC(=O)[C@@H](N)Cc1c2ccccc2cc2ccccc21 ZINC001218914162 1031149849 /nfs/dbraw/zinc/14/98/49/1031149849.db2.gz RNBDTJCMRVDWCO-QFIPXVFZSA-N 0 1 397.478 3.909 20 5 GHBDMN Cc1c([N+](=O)[O-])cc(C(=O)Nc2ccc(Br)c(O)c2)cc1[N+](=O)[O-] ZINC001154321856 1032039422 /nfs/dbraw/zinc/03/94/22/1032039422.db2.gz ZRZPFYZAHNIJLX-UHFFFAOYSA-N 0 1 396.153 3.532 20 5 GHBDMN C[C@H](CNCc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC001205646185 1033509837 /nfs/dbraw/zinc/50/98/37/1033509837.db2.gz ZNQYMRDIACOWJX-SNVBAGLBSA-N 0 1 377.363 3.616 20 5 GHBDMN Cc1ncc([N+](=O)[O-])n1C[C@@H](C)Oc1ccc2c(c1)oc(=O)c1cc(O)ccc21 ZINC001229797813 1033723221 /nfs/dbraw/zinc/72/32/21/1033723221.db2.gz OMCWAURAQKVQPO-LLVKDONJSA-N 0 1 395.371 3.532 20 5 GHBDMN O=c1oc2cc(OC[C@@H]3COc4cscc4O3)ccc2c2ccc(O)cc12 ZINC001229797411 1033723995 /nfs/dbraw/zinc/72/39/95/1033723995.db2.gz ANAXJANNZOJCFJ-CYBMUJFWSA-N 0 1 382.393 3.932 20 5 GHBDMN CCC(CC)(CNCc1nc2cc([N+](=O)[O-])ccc2o1)C(=O)OC(C)(C)C ZINC001206371479 1033818522 /nfs/dbraw/zinc/81/85/22/1033818522.db2.gz QSGRSLABHBTOSO-UHFFFAOYSA-N 0 1 377.441 3.974 20 5 GHBDMN O=[N+]([O-])c1ccc(O[C@H]2CC[C@H](N3CCOCC3)CC2)c(Cl)c1Cl ZINC001230039833 1033863068 /nfs/dbraw/zinc/86/30/68/1033863068.db2.gz IBOVADXUEXRPPI-HAQNSBGRSA-N 0 1 375.252 3.924 20 5 GHBDMN CC(=O)Nc1ccc([N+](=O)[O-])cc1O[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 ZINC001230251371 1033962311 /nfs/dbraw/zinc/96/23/11/1033962311.db2.gz RXXJBAHXGPSXGF-QGZVFWFLSA-N 0 1 389.839 3.860 20 5 GHBDMN O=[N+]([O-])c1cc2cn[nH]c2cc1O[C@H]1COc2c1cccc2Br ZINC001230602251 1034142697 /nfs/dbraw/zinc/14/26/97/1034142697.db2.gz XYCHLYFUBUYXTI-AWEZNQCLSA-N 0 1 376.166 3.746 20 5 GHBDMN O=C(c1ccc(Nc2cccc3nc4ccccc4nc32)cc1)N1CCNCC1 ZINC001159728297 1034724667 /nfs/dbraw/zinc/72/46/67/1034724667.db2.gz VINXGVZMCSOQLJ-UHFFFAOYSA-N 0 1 383.455 3.572 20 5 GHBDMN O=[N+]([O-])c1c(F)cccc1Cc1nc(-c2ncccc2/C=C/N2CCCC2)no1 ZINC001248922156 1036243222 /nfs/dbraw/zinc/24/32/22/1036243222.db2.gz SOMBCOGJPUBAFQ-XYOKQWHBSA-N 0 1 395.394 3.836 20 5 GHBDMN CC(C)(C)OC(=O)NC[C@@H](NCc1nc2cc([N+](=O)[O-])ccc2o1)C(C)(C)C ZINC001462150346 1070036657 /nfs/dbraw/zinc/03/66/57/1070036657.db2.gz UKDDDLNRPBVZMC-OAHLLOKOSA-N 0 1 392.456 3.765 20 5 GHBDMN O=CN[C@@H](Cc1cnc[nH]1)c1nc(-c2cc3ccccc3c3ccccc23)no1 ZINC001247268771 1038048285 /nfs/dbraw/zinc/04/82/85/1038048285.db2.gz HPEHBPKQGMKHKR-FQEVSTJZSA-N 0 1 383.411 3.796 20 5 GHBDMN CC(C)(C)OC(=O)N1CC[C@@H](NCc2nc3cc([N+](=O)[O-])ccc3o2)C1(C)C ZINC001462338660 1070183371 /nfs/dbraw/zinc/18/33/71/1070183371.db2.gz DLOZMHIECNTGBA-OAHLLOKOSA-N 0 1 390.440 3.614 20 5 GHBDMN COc1cc([N+](=O)[O-])c(-c2nnc(-c3cccc(Br)c3)o2)cc1O ZINC001253229468 1039485068 /nfs/dbraw/zinc/48/50/68/1039485068.db2.gz WDUPLIUIYBCWAL-UHFFFAOYSA-N 0 1 392.165 3.789 20 5 GHBDMN CC(C)=CCc1c(O)cc(OC[C@@H]2COCO2)c2c(=O)c3cccc(O)c3oc12 ZINC001234740186 1040266789 /nfs/dbraw/zinc/26/67/89/1040266789.db2.gz GLMBRVFSBDSQLV-ZDUSSCGKSA-N 0 1 398.411 3.618 20 5 GHBDMN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC001254550606 1040319481 /nfs/dbraw/zinc/31/94/81/1040319481.db2.gz NCDHNGRBEHPUKG-RDJZCZTQSA-N 0 1 377.485 3.905 20 5 GHBDMN C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](N2Cc3c(cccc3F)C2=O)C1 ZINC001254567961 1040344343 /nfs/dbraw/zinc/34/43/43/1040344343.db2.gz DININMIOLZKYEY-NVXWUHKLSA-N 0 1 397.450 3.785 20 5 GHBDMN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCC[C@@H](N2Cc3c(cccc3F)C2=O)C1 ZINC001254567961 1040344360 /nfs/dbraw/zinc/34/43/60/1040344360.db2.gz DININMIOLZKYEY-NVXWUHKLSA-N 0 1 397.450 3.785 20 5 GHBDMN O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CCN(c3ccccc3C(F)(F)F)CC1)C2 ZINC001254612080 1040384553 /nfs/dbraw/zinc/38/45/53/1040384553.db2.gz UWLXJYBUWGHYFZ-KRWDZBQOSA-N 0 1 391.393 3.903 20 5 GHBDMN CC(C)N1CCN(C(=O)c2ccc(O[C@@H](C)c3ccccc3[N+](=O)[O-])cc2)CC1 ZINC001234903673 1040419056 /nfs/dbraw/zinc/41/90/56/1040419056.db2.gz KVMUWBLGNWFKAL-KRWDZBQOSA-N 0 1 397.475 3.901 20 5 GHBDMN COc1cc(N2CCC(NCc3nc4ccccc4o3)CC2)ccc1[N+](=O)[O-] ZINC001256084285 1041515164 /nfs/dbraw/zinc/51/51/64/1041515164.db2.gz YFHYUYCOJHIUGK-UHFFFAOYSA-N 0 1 382.420 3.503 20 5 GHBDMN c1ccc2cc3cc(-c4nc5c(c(N6CCOCC6)n4)CNC5)ccc3cc2c1 ZINC001240680276 1042950030 /nfs/dbraw/zinc/95/00/30/1042950030.db2.gz SBOQLWZUKJHAKO-UHFFFAOYSA-N 0 1 382.467 3.890 20 5 GHBDMN CCN(CC)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1SC)c1ccco1 ZINC001292282225 1043663524 /nfs/dbraw/zinc/66/35/24/1043663524.db2.gz UHNVIGRZCVDUBX-OAHLLOKOSA-N 0 1 377.466 3.723 20 5 GHBDMN Cc1cc(C)n(Cc2ccc(-c3nnc(-c4cc(O)cc([N+](=O)[O-])c4)o3)cc2)n1 ZINC001258001953 1044330946 /nfs/dbraw/zinc/33/09/46/1044330946.db2.gz IOZWMJGZFCSPTB-UHFFFAOYSA-N 0 1 391.387 3.879 20 5 GHBDMN CC[C@@H]1CN(C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)CCN1Cc1ccccc1 ZINC001296188582 1045277232 /nfs/dbraw/zinc/27/72/32/1045277232.db2.gz LSLMSDRKNJYXFW-SJLPKXTDSA-N 0 1 399.466 3.960 20 5 GHBDMN C[C@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001301883139 1046744273 /nfs/dbraw/zinc/74/42/73/1046744273.db2.gz UJWNJUXLLNVNRX-WMLDXEAASA-N 0 1 387.867 3.889 20 5 GHBDMN Cc1c(CC(=O)N2CCN(Cc3ccccc3)[C@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC001279363369 1047780746 /nfs/dbraw/zinc/78/07/46/1047780746.db2.gz BPKMPDDEVIBZHE-QFIPXVFZSA-N 0 1 395.503 3.815 20 5 GHBDMN CC(C)(C(=O)Nc1nc(-c2ccc(Cl)cc2)n[nH]1)c1ccccc1[N+](=O)[O-] ZINC001306473815 1048687578 /nfs/dbraw/zinc/68/75/78/1048687578.db2.gz QMTAXZVRDGNDBF-UHFFFAOYSA-N 0 1 385.811 3.950 20 5 GHBDMN COc1cc(NC[C@H](C)N2CCc3sccc3C2)c([N+](=O)[O-])cc1OC ZINC001306951762 1048976056 /nfs/dbraw/zinc/97/60/56/1048976056.db2.gz RDLYFWNJGSSQHI-LBPRGKRZSA-N 0 1 377.466 3.532 20 5 GHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N(Cc1cccs1)Cc1ccncc1 ZINC001289731106 1049608986 /nfs/dbraw/zinc/60/89/86/1049608986.db2.gz WMOUBXUATWMKPG-UHFFFAOYSA-N 0 1 393.428 3.770 20 5 GHBDMN C[C@@H]1CN(c2ccc(Cl)c(F)c2)CCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC001307821385 1049615378 /nfs/dbraw/zinc/61/53/78/1049615378.db2.gz ZKPBAULUILUJJL-GFCCVEGCSA-N 0 1 379.819 3.804 20 5 GHBDMN COC[C@H](C)N(Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])[C@H]1CCc2ccccc21 ZINC001307976675 1049735212 /nfs/dbraw/zinc/73/52/12/1049735212.db2.gz VDGXREBZSAGJCT-BTYIYWSLSA-N 0 1 398.459 3.906 20 5 GHBDMN Cc1ccnc(-c2noc(CC3CCN(Cc4ccccc4[N+](=O)[O-])CC3)n2)c1 ZINC001308045147 1049794424 /nfs/dbraw/zinc/79/44/24/1049794424.db2.gz UEEVFFNLEVHJIQ-UHFFFAOYSA-N 0 1 393.447 3.803 20 5 GHBDMN CN(C[C@@H]1CCCCN1CCOc1ccccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC001308083147 1049829580 /nfs/dbraw/zinc/82/95/80/1049829580.db2.gz CJDNQFVAJMDVMB-INIZCTEOSA-N 0 1 393.484 3.695 20 5 GHBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@@](C)(CO)Cc1ccccc1F ZINC001308118121 1049861641 /nfs/dbraw/zinc/86/16/41/1049861641.db2.gz QZXNCZAOFJJYOJ-HXUWFJFHSA-N 0 1 376.428 3.604 20 5 GHBDMN O=c1ccn(-c2ccc(NCc3c(Br)cccc3[N+](=O)[O-])cc2)[nH]1 ZINC001308483804 1049986476 /nfs/dbraw/zinc/98/64/76/1049986476.db2.gz GXJAXORWCQKFLO-UHFFFAOYSA-N 0 1 389.209 3.861 20 5 GHBDMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000904401600 1050824366 /nfs/dbraw/zinc/82/43/66/1050824366.db2.gz RNLJNZKCLDDEHO-HXUWFJFHSA-N 0 1 375.469 3.662 20 5 GHBDMN C[C@H](NC(=O)N[C@H]1CCN(C)[C@H]1c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC001335093996 1052033483 /nfs/dbraw/zinc/03/34/83/1052033483.db2.gz WNYNBTOAYVZHSG-AGRHKRQWSA-N 0 1 386.427 3.540 20 5 GHBDMN C[C@H](NC(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC001335694075 1052151860 /nfs/dbraw/zinc/15/18/60/1052151860.db2.gz ADDCHBXNZBFHRW-BKTGTZMESA-N 0 1 386.427 3.540 20 5 GHBDMN Cc1cccc(CN2CCCC[C@H]2C(=O)NCCc2ccc([N+](=O)[O-])cc2)c1 ZINC001318644797 1054768205 /nfs/dbraw/zinc/76/82/05/1054768205.db2.gz UTOZZTSEUWLHTD-NRFANRHFSA-N 0 1 381.476 3.617 20 5 GHBDMN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cnccc1-n1ccnc1C ZINC001320543680 1055871991 /nfs/dbraw/zinc/87/19/91/1055871991.db2.gz PPUBUBILBLRFGI-INIZCTEOSA-N 0 1 379.420 3.691 20 5 GHBDMN NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001320643034 1055913035 /nfs/dbraw/zinc/91/30/35/1055913035.db2.gz LFEFYFMJLKZLHU-MIUNTBIASA-N 0 1 389.839 3.594 20 5 GHBDMN C[C@H](NCc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C1(S(C)(=O)=O)CC1 ZINC001321903736 1056439360 /nfs/dbraw/zinc/43/93/60/1056439360.db2.gz NPTOEGYMZBUALY-NSHDSACASA-N 0 1 398.868 3.564 20 5 GHBDMN Cc1c(NS(=O)(=O)Cc2cc(-c3ccc(F)cc3)no2)cccc1[N+](=O)[O-] ZINC001325198931 1057288292 /nfs/dbraw/zinc/28/82/92/1057288292.db2.gz AIATVWXRHFROCM-UHFFFAOYSA-N 0 1 391.380 3.639 20 5 GHBDMN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N(Cc1cccc(F)c1)C1CC1 ZINC001441128020 1058712656 /nfs/dbraw/zinc/71/26/56/1058712656.db2.gz IUEBQRVNCMHQQD-UHFFFAOYSA-N 0 1 380.379 3.929 20 5 GHBDMN Cc1ccc(C[N@H+]2CCCN(c3cc(C)c([N+](=O)[O-])c(C(=O)[O-])c3)CC2)cc1 ZINC001346105318 1061364853 /nfs/dbraw/zinc/36/48/53/1061364853.db2.gz XONQSYRJQHSCMB-UHFFFAOYSA-N 0 1 383.448 3.622 20 5 GHBDMN CC1(C)C[N@@H+](Cc2ccccc2)C(C)(C)CN1C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC001454118557 1061611006 /nfs/dbraw/zinc/61/10/06/1061611006.db2.gz NDEHNIQIFVOTGE-UHFFFAOYSA-N 0 1 397.475 3.816 20 5 GHBDMN CCCOc1ccc(C(C)(C)NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)cc1 ZINC001436022612 1063100183 /nfs/dbraw/zinc/10/01/83/1063100183.db2.gz LIUBGPPQNSTUDT-UHFFFAOYSA-N 0 1 382.420 3.925 20 5 GHBDMN C[C@H](CNc1ncc([N+](=O)[O-])cc1C(F)(F)F)N1CCc2ccccc2C1 ZINC001458145718 1063600754 /nfs/dbraw/zinc/60/07/54/1063600754.db2.gz ULRCGQHKQQKTPX-GFCCVEGCSA-N 0 1 380.370 3.867 20 5 GHBDMN CS[C@@H]1CN(c2c(Cl)c(Cl)ccc2[N+](=O)[O-])C[C@H]1N1CCCC1 ZINC001458325003 1063745299 /nfs/dbraw/zinc/74/52/99/1063745299.db2.gz COHLMBBJRHUZFT-CHWSQXEVSA-N 0 1 376.309 3.918 20 5 GHBDMN COc1ccc(CN2CC[C@H]2CNc2ccc3cnccc3c2[N+](=O)[O-])cc1 ZINC001458500296 1063850351 /nfs/dbraw/zinc/85/03/51/1063850351.db2.gz XGPWVYDZCPQNIE-KRWDZBQOSA-N 0 1 378.432 3.838 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(Cc2ccccc2)[C@@H](C(C)C)C1 ZINC001437732363 1063924229 /nfs/dbraw/zinc/92/42/29/1063924229.db2.gz XMGZPTSRYUBFIO-OAQYLSRUSA-N 0 1 381.476 3.886 20 5 GHBDMN O=[N+]([O-])c1ccc(O)cc1CSc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC001458976651 1063973096 /nfs/dbraw/zinc/97/30/96/1063973096.db2.gz BTEYJKZQHCDBGO-UHFFFAOYSA-N 0 1 393.364 3.886 20 5 GHBDMN CC[C@H](c1ccccc1)N1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001459571342 1064131211 /nfs/dbraw/zinc/13/12/11/1064131211.db2.gz FWWCZGSHAUEMQX-LJQANCHMSA-N 0 1 384.436 3.772 20 5 GHBDMN CCC[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2NC)CCN1Cc1ccccc1 ZINC001466401440 1066133274 /nfs/dbraw/zinc/13/32/74/1066133274.db2.gz QOUXPRAXEIBNQW-GOSISDBHSA-N 0 1 396.491 3.763 20 5 GHBDMN CCOc1cc(NC(=O)NC[C@@H](C)N2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC001466988125 1066430209 /nfs/dbraw/zinc/43/02/09/1066430209.db2.gz CSLVIHJKZHDMRU-OAHLLOKOSA-N 0 1 398.463 3.562 20 5 GHBDMN Cc1c(CNC(=O)N2CCC[C@@H](c3cc(C(C)C)[nH]n3)C2)cccc1[N+](=O)[O-] ZINC001469775456 1068380183 /nfs/dbraw/zinc/38/01/83/1068380183.db2.gz CBAIHQNYDLWHON-MRXNPFEDSA-N 0 1 385.468 3.839 20 5 GHBDMN CN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H](c1nnc[nH]1)c1ccccc1 ZINC001460219710 1068868804 /nfs/dbraw/zinc/86/88/04/1068868804.db2.gz WKOXXMANCIRVHB-GOSISDBHSA-N 0 1 390.403 3.589 20 5 GHBDMN O=[N+]([O-])c1cc2c(nc1N1CCCN(Cc3ccc(F)cc3)CC1)CCCC2 ZINC001472646582 1073593730 /nfs/dbraw/zinc/59/37/30/1073593730.db2.gz VYLJUGDGDVJBOM-UHFFFAOYSA-N 0 1 384.455 3.720 20 5 GHBDMN CC(C)c1nc(CC2CCN(c3ccc4cnccc4c3[N+](=O)[O-])CC2)n[nH]1 ZINC001472858855 1073698088 /nfs/dbraw/zinc/69/80/88/1073698088.db2.gz MEJMOQKKYVJXJX-UHFFFAOYSA-N 0 1 380.452 3.844 20 5 GHBDMN CC(C)c1nnc(CC2CCN(c3ccc4cnccc4c3[N+](=O)[O-])CC2)[nH]1 ZINC001472858855 1073698093 /nfs/dbraw/zinc/69/80/93/1073698093.db2.gz MEJMOQKKYVJXJX-UHFFFAOYSA-N 0 1 380.452 3.844 20 5 GHBDMN O=[N+]([O-])c1ccc(OCCCN(Cc2ccccc2)C[C@H](O)C(F)(F)F)cc1 ZINC001473372259 1073937708 /nfs/dbraw/zinc/93/77/08/1073937708.db2.gz RVCAKNNNJSSZOW-SFHVURJKSA-N 0 1 398.381 3.789 20 5 GHBDMN O=C1NCCN1c1ccc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC001474249057 1074310190 /nfs/dbraw/zinc/31/01/90/1074310190.db2.gz YZXKSUCNUCCOJC-UHFFFAOYSA-N 0 1 392.415 3.674 20 5 GHBDMN CC(C)(C)O[C@@H]1C[C@@H](NCc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1n1cccn1 ZINC001474528403 1074451806 /nfs/dbraw/zinc/45/18/06/1074451806.db2.gz MAYYNUHOGSWOOZ-OIISXLGYSA-N 0 1 378.860 3.732 20 5 GHBDMN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNC[C@H](O)c1cc(F)c(F)c(F)c1 ZINC001474644340 1074496567 /nfs/dbraw/zinc/49/65/67/1074496567.db2.gz PHYRWKPVUPISPO-AWEZNQCLSA-N 0 1 394.271 3.854 20 5 GHBDMN CC[C@H](CSc1ccccc1)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC001475122938 1074746376 /nfs/dbraw/zinc/74/63/76/1074746376.db2.gz VSZVMORZTLLYRD-GFCCVEGCSA-N 0 1 384.454 3.583 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N[C@@H]2CCCc3sccc32)c1 ZINC001475169712 1074767512 /nfs/dbraw/zinc/76/75/12/1074767512.db2.gz SOHQIIUHUVBSLQ-LLVKDONJSA-N 0 1 390.845 3.805 20 5 GHBDMN CCCOc1ccc(C(C)(C)NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC001475230330 1074796099 /nfs/dbraw/zinc/79/60/99/1074796099.db2.gz IIWLRCKSNUPHOG-UHFFFAOYSA-N 0 1 396.440 3.736 20 5 GHBDMN O=C([O-])[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1ccc(Br)cc1 ZINC000739499160 600406204 /nfs/dbraw/zinc/40/62/04/600406204.db2.gz GAEWUPGZTLVTJL-CQSZACIVSA-N 0 1 399.628 3.926 20 5 GHBDMN Cn1cc[nH+]c1C[C@H](Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])c1ccccc1 ZINC000833059060 600826013 /nfs/dbraw/zinc/82/60/13/600826013.db2.gz UZLTVTONSHWLIT-LNENJAERSA-N 0 1 392.415 3.822 20 5 GHBDMN O=C([O-])c1sc2ccccc2c1C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000833347644 601013182 /nfs/dbraw/zinc/01/31/82/601013182.db2.gz OUXOQBVGNSWVAJ-LBPRGKRZSA-N 0 1 398.444 3.589 20 5 GHBDMN O=C(C=Cc1ccc([N+](=O)[O-])cc1)Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1 ZINC000066445442 837422161 /nfs/dbraw/zinc/42/21/61/837422161.db2.gz WNILPJSCPMVECL-DNXKIMQPSA-N 0 1 378.388 3.975 20 5 GHBDMN O=C(C=Cc1ccc([N+](=O)[O-])cc1)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1 ZINC000066445444 837422436 /nfs/dbraw/zinc/42/24/36/837422436.db2.gz WNILPJSCPMVECL-YPHWWSSASA-N 0 1 378.388 3.975 20 5 GHBDMN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(Cl)c(Br)c2)c1 ZINC000126849438 834707103 /nfs/dbraw/zinc/70/71/03/834707103.db2.gz XYGXZKMQMLUSMZ-UHFFFAOYSA-N 0 1 391.630 3.812 20 5 GHBDMN CCCOc1ccc(CNS(=O)(=O)c2cc(C)sc2[N+](=O)[O-])c(C)c1 ZINC001211497113 835024390 /nfs/dbraw/zinc/02/43/90/835024390.db2.gz INPPQGBCXFNIKO-UHFFFAOYSA-N 0 1 384.479 3.540 20 5 GHBDMN CCOCCCN1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000610212560 835145973 /nfs/dbraw/zinc/14/59/73/835145973.db2.gz GTGMWOFGSNBOHT-UHFFFAOYSA-N 0 1 389.521 3.868 20 5 GHBDMN CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000573159713 835805390 /nfs/dbraw/zinc/80/53/90/835805390.db2.gz FZRJCXWFQKSLAZ-HNNXBMFYSA-N 0 1 397.401 3.825 20 5 GHBDMN C[C@H](c1ccc(F)cc1)N1CC[C@H](N(C)CCc2cccc([N+](=O)[O-])c2)C1=O ZINC000549686550 844115232 /nfs/dbraw/zinc/11/52/32/844115232.db2.gz HQZSAMDCQVCTAL-QRWLVFNGSA-N 0 1 385.439 3.570 20 5 GHBDMN COc1ccc(C[C@@H](C)CN(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000535629077 836059973 /nfs/dbraw/zinc/05/99/73/836059973.db2.gz RRRYTBMMXWXNHR-OAHLLOKOSA-N 0 1 385.464 3.661 20 5 GHBDMN COc1ccc(NC(=O)CCN(C)[C@@H](C)c2cc(F)ccc2F)c([N+](=O)[O-])c1 ZINC000411173147 836077287 /nfs/dbraw/zinc/07/72/87/836077287.db2.gz OSPHRHLRACLTEV-LBPRGKRZSA-N 0 1 393.390 3.903 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC000043127036 836244408 /nfs/dbraw/zinc/24/44/08/836244408.db2.gz RBSIIYNKYLDYDO-MRXNPFEDSA-N 0 1 388.424 3.545 20 5 GHBDMN O=[N+]([O-])c1ccc(N2CCC(CCCN3CCOCC3)CC2)cc1OC(F)F ZINC000180178060 836529364 /nfs/dbraw/zinc/52/93/64/836529364.db2.gz GNDHSSAQLXVFBD-UHFFFAOYSA-N 0 1 399.438 3.525 20 5 GHBDMN CCOc1ccc(NC(=O)CN[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1OCC ZINC000180434232 837256251 /nfs/dbraw/zinc/25/62/51/837256251.db2.gz SOSSDXFQAIEKAG-AWEZNQCLSA-N 0 1 387.436 3.682 20 5 GHBDMN Cc1ccccc1C[C@@H](CO)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000188917114 837990467 /nfs/dbraw/zinc/99/04/67/837990467.db2.gz HFJILRYOKKIZFH-KRWDZBQOSA-N 0 1 383.473 3.720 20 5 GHBDMN CC[C@@H](NCc1cccc(S(=O)(=O)NC(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000481021482 838432540 /nfs/dbraw/zinc/43/25/40/838432540.db2.gz IVHNHCMTTZKJKY-LJQANCHMSA-N 0 1 391.493 3.522 20 5 GHBDMN CC(=O)c1c(C)cc(C)c(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1C ZINC000118866269 838735026 /nfs/dbraw/zinc/73/50/26/838735026.db2.gz PGKOPDIBNQTOLO-KRWDZBQOSA-N 0 1 382.464 3.804 20 5 GHBDMN C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000610445850 839742657 /nfs/dbraw/zinc/74/26/57/839742657.db2.gz ISMBAYJOYPHXKT-KRWDZBQOSA-N 0 1 399.516 3.810 20 5 GHBDMN CCN(CC)[C@H](CNC(=O)c1cc(SC)ccc1[N+](=O)[O-])c1ccco1 ZINC000067275778 844482253 /nfs/dbraw/zinc/48/22/53/844482253.db2.gz ZTBQRAVUTLDQDO-MRXNPFEDSA-N 0 1 377.466 3.723 20 5 GHBDMN CC(C)N1CCC[C@@H](NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 ZINC000275943820 840107747 /nfs/dbraw/zinc/10/77/47/840107747.db2.gz JQXSEKZCSRUMQI-OAHLLOKOSA-N 0 1 399.441 3.974 20 5 GHBDMN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cc(Br)ccc1F ZINC000110590564 840213438 /nfs/dbraw/zinc/21/34/38/840213438.db2.gz MTVCVLBPVWDYEF-UHFFFAOYSA-N 0 1 389.202 3.606 20 5 GHBDMN O=C(N[C@@H](c1cccc(F)c1F)C(F)(F)F)c1cc(O)cc([N+](=O)[O-])c1 ZINC000548137549 840269874 /nfs/dbraw/zinc/26/98/74/840269874.db2.gz KGRNGIXCGREWEM-ZDUSSCGKSA-N 0 1 376.237 3.612 20 5 GHBDMN Cc1cccc2nc(CCC(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)[nH]c21 ZINC000126120767 840510049 /nfs/dbraw/zinc/51/00/49/840510049.db2.gz JSEKDNHVGPRISO-UHFFFAOYSA-N 0 1 378.432 3.903 20 5 GHBDMN Cc1cc(NC[C@H](C(C)C)N2CCN(C)CC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000549465544 840603824 /nfs/dbraw/zinc/60/38/24/840603824.db2.gz MQFKXVWMZFZWJM-QGZVFWFLSA-N 0 1 388.434 3.606 20 5 GHBDMN CC[C@@H](CS(=O)(=O)c1ccccc1)N[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000181659272 840628541 /nfs/dbraw/zinc/62/85/41/840628541.db2.gz XFFZWYKUEWEUKK-HOTGVXAUSA-N 0 1 376.478 3.806 20 5 GHBDMN O=C(Nc1nnc(C(F)(F)F)s1)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000584746182 840736117 /nfs/dbraw/zinc/73/61/17/840736117.db2.gz CAZKMUFXLZLASP-UHFFFAOYSA-N 0 1 386.233 3.736 20 5 GHBDMN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cc(Cl)ccc2N(C)C)c1C ZINC000610481822 840762769 /nfs/dbraw/zinc/76/27/69/840762769.db2.gz GESNUHNDWAGCTI-UHFFFAOYSA-N 0 1 383.857 3.732 20 5 GHBDMN COc1cc(S(=O)(=O)Nc2cccc(-c3nccs3)c2)ccc1[N+](=O)[O-] ZINC000124652992 841010670 /nfs/dbraw/zinc/01/06/70/841010670.db2.gz LJIKVNGALTUYBE-UHFFFAOYSA-N 0 1 391.430 3.528 20 5 GHBDMN CC[C@H](NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000157213863 841689601 /nfs/dbraw/zinc/68/96/01/841689601.db2.gz LVNUUJAZVNUJPD-YRNRMSPPSA-N 0 1 384.480 3.844 20 5 GHBDMN CCc1cc(NC[C@H](c2ccco2)N(C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000108851304 841718243 /nfs/dbraw/zinc/71/82/43/841718243.db2.gz YOSAXKSXWQPAND-QGZVFWFLSA-N 0 1 381.436 3.922 20 5 GHBDMN O=C(Nc1cc[nH+]c(N2CCc3ccccc3C2)c1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000569132831 842029948 /nfs/dbraw/zinc/02/99/48/842029948.db2.gz KHUDHASOLFKYRM-UHFFFAOYSA-N 0 1 390.399 3.510 20 5 GHBDMN Cn1ccnc1C[C@@H]1CCCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000182091096 842726810 /nfs/dbraw/zinc/72/68/10/842726810.db2.gz SMHQEGGOVOQCQJ-HNNXBMFYSA-N 0 1 397.504 3.907 20 5 GHBDMN C[C@H](CN1CCCCC1)NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000548361790 842792803 /nfs/dbraw/zinc/79/28/03/842792803.db2.gz HASNAUNWOXNMJO-CYBMUJFWSA-N 0 1 399.441 3.564 20 5 GHBDMN CCOc1ccc([N+](=O)[O-])cc1CNC[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000107713528 842926063 /nfs/dbraw/zinc/92/60/63/842926063.db2.gz VLDMHYSJMQJMAJ-INIZCTEOSA-N 0 1 384.354 3.836 20 5 GHBDMN CCCc1c(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cnn1-c1ccc(C)cc1 ZINC000432559106 843149783 /nfs/dbraw/zinc/14/97/83/843149783.db2.gz QRKZVGOCBKYXHS-UHFFFAOYSA-N 0 1 380.404 3.999 20 5 GHBDMN COc1cc(CNCc2cnn(C)c2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000156556533 843461736 /nfs/dbraw/zinc/46/17/36/843461736.db2.gz DOOKYAQACXKJAT-UHFFFAOYSA-N 0 1 396.447 3.514 20 5 GHBDMN Cc1nc([C@H]2CCCCN2c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])n[nH]1 ZINC000509533800 843797205 /nfs/dbraw/zinc/79/72/05/843797205.db2.gz ULAZOBGDPOQCGM-GOSISDBHSA-N 0 1 391.431 3.984 20 5 GHBDMN O=C(C[N@H+](Cc1ccccc1)CC1CCC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000065161392 844671464 /nfs/dbraw/zinc/67/14/64/844671464.db2.gz UFBNOAHJVLHMBJ-UHFFFAOYSA-N 0 1 397.431 3.564 20 5 GHBDMN O=C(CN(Cc1ccccc1)CC1CCC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000065161392 844671473 /nfs/dbraw/zinc/67/14/73/844671473.db2.gz UFBNOAHJVLHMBJ-UHFFFAOYSA-N 0 1 397.431 3.564 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@H](c3cc4ccccc4[nH]3)C2)c1[N+](=O)[O-] ZINC000610919384 844855677 /nfs/dbraw/zinc/85/56/77/844855677.db2.gz GLDLJJSTJWYAEK-AWEZNQCLSA-N 0 1 381.436 3.942 20 5 GHBDMN CO[C@@H](c1ccccc1Cl)[C@H](C)NCC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000481525925 861601051 /nfs/dbraw/zinc/60/10/51/861601051.db2.gz DMTBJAXLTPEWGM-ORAYPTAESA-N 0 1 391.855 3.861 20 5 GHBDMN C[C@@H]1CN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)[C@@H](C)CN1Cc1ccccc1 ZINC000501603714 847040716 /nfs/dbraw/zinc/04/07/16/847040716.db2.gz HDHUQBUYRRNROJ-CVEARBPZSA-N 0 1 392.459 3.811 20 5 GHBDMN C[C@@H](N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000478906403 847349431 /nfs/dbraw/zinc/34/94/31/847349431.db2.gz QFFXJJQJKIGRLY-DIFFPNOSSA-N 0 1 377.803 3.843 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N(C)[C@@H](CCc2ccccc2)C(F)F)c1[N+](=O)[O-] ZINC000600795051 861785584 /nfs/dbraw/zinc/78/55/84/861785584.db2.gz WFTLIVHGAUGGCN-ZDUSSCGKSA-N 0 1 380.395 3.780 20 5 GHBDMN CN(C)[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)c1cccc(C(F)(F)F)c1 ZINC000183893288 847507718 /nfs/dbraw/zinc/50/77/18/847507718.db2.gz XOPALJDVAMPDEZ-KRWDZBQOSA-N 0 1 395.381 3.575 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](CC(F)F)c1ccccc1 ZINC000420993028 847615352 /nfs/dbraw/zinc/61/53/52/847615352.db2.gz LQGUVILNFOCLLN-OAHLLOKOSA-N 0 1 379.363 3.528 20 5 GHBDMN COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2nc(C)[nH]c2c1 ZINC000481629980 861912089 /nfs/dbraw/zinc/91/20/89/861912089.db2.gz TVLLWSQYQSPMMD-UHFFFAOYSA-N 0 1 386.433 3.770 20 5 GHBDMN O=C(C=Cc1ccccc1[N+](=O)[O-])N1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000277926479 848527421 /nfs/dbraw/zinc/52/74/21/848527421.db2.gz JHHOKZPPAGWQLX-GWJCSSMESA-N 0 1 394.353 3.756 20 5 GHBDMN Cc1c([C@H](C)N[C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)cccc1[N+](=O)[O-] ZINC000161538900 848651560 /nfs/dbraw/zinc/65/15/60/848651560.db2.gz OZKYXQHFPZGXRW-GJZGRUSLSA-N 0 1 391.493 3.565 20 5 GHBDMN Cc1ccc2nc([C@H]3CCCN3C(=O)CNc3ccccc3[N+](=O)[O-])[nH]c2c1 ZINC000061461093 861938696 /nfs/dbraw/zinc/93/86/96/861938696.db2.gz YLYWRYRZUGMTOU-GOSISDBHSA-N 0 1 379.420 3.555 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)cnc1N1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000583182578 849276235 /nfs/dbraw/zinc/27/62/35/849276235.db2.gz BPBVICAOPVBPQC-MRVPVSSYSA-N 0 1 375.738 3.769 20 5 GHBDMN CCOCCN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@H]1CCc2ccccc21 ZINC000600446641 862011306 /nfs/dbraw/zinc/01/13/06/862011306.db2.gz NUCDKLLLINAKSK-IBGZPJMESA-N 0 1 394.431 3.637 20 5 GHBDMN O=[N+]([O-])c1ccc(NCCN2CCN(c3ccc(F)cc3)CC2)c2ncccc12 ZINC000029618847 862012523 /nfs/dbraw/zinc/01/25/23/862012523.db2.gz IGBITCIRTRWWQM-UHFFFAOYSA-N 0 1 395.438 3.516 20 5 GHBDMN O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCN(C2CCCCC2)CC1 ZINC000132348435 862026267 /nfs/dbraw/zinc/02/62/67/862026267.db2.gz XHPTWIYLKLZERY-UHFFFAOYSA-N 0 1 385.386 3.704 20 5 GHBDMN COc1cc(CNCc2cccc([N+](=O)[O-])c2C)cc(OC)c1OCC(F)F ZINC000583373423 849740836 /nfs/dbraw/zinc/74/08/36/849740836.db2.gz AFTSPQMIALAMHE-UHFFFAOYSA-N 0 1 396.390 3.854 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CC[C@H](c2ccccc2)[C@H]1C ZINC000434907291 849889702 /nfs/dbraw/zinc/88/97/02/849889702.db2.gz WRYIJTVQRJQFTQ-VKJFTORMSA-N 0 1 383.448 3.808 20 5 GHBDMN CCOc1ccc([C@H](C)NCc2cccc(C(=O)NC3CC3)c2)cc1[N+](=O)[O-] ZINC000504899601 850429005 /nfs/dbraw/zinc/42/90/05/850429005.db2.gz JGFXTEZAFFFPHK-AWEZNQCLSA-N 0 1 383.448 3.737 20 5 GHBDMN COc1ccc(C(=O)Nc2ccc3nc(-c4ccco4)[nH]c3c2)cc1[N+](=O)[O-] ZINC000054627111 850455611 /nfs/dbraw/zinc/45/56/11/850455611.db2.gz WIBJABDVMCTOKB-UHFFFAOYSA-N 0 1 378.344 3.992 20 5 GHBDMN CC(C)([C@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)c1ccc(F)c(F)c1)N1CCCC1 ZINC000487120407 850473630 /nfs/dbraw/zinc/47/36/30/850473630.db2.gz VZPCHQJAPQFMAQ-QGZVFWFLSA-N 0 1 392.406 3.547 20 5 GHBDMN COc1ccc(C[C@H]2CCCN(C(=O)c3n[nH]c(C(C)C)c3[N+](=O)[O-])C2)cc1 ZINC000434241665 850919075 /nfs/dbraw/zinc/91/90/75/850919075.db2.gz FKRVPYVCMUZZMI-OAHLLOKOSA-N 0 1 386.452 3.545 20 5 GHBDMN O=C(CSc1n[nH]c(CCC2CCCC2)n1)c1ccc([N+](=O)[O-])cc1F ZINC000600514688 862198291 /nfs/dbraw/zinc/19/82/91/862198291.db2.gz MPLLRDRVPSFIBN-UHFFFAOYSA-N 0 1 378.429 3.950 20 5 GHBDMN O=C(CSc1nc(CCC2CCCC2)n[nH]1)c1ccc([N+](=O)[O-])cc1F ZINC000600514688 862198295 /nfs/dbraw/zinc/19/82/95/862198295.db2.gz MPLLRDRVPSFIBN-UHFFFAOYSA-N 0 1 378.429 3.950 20 5 GHBDMN COc1ccccc1CN(CCOc1ccc([N+](=O)[O-])cc1)C[C@H]1CCCO1 ZINC000604475003 862217823 /nfs/dbraw/zinc/21/78/23/862217823.db2.gz XLRQAUHWWOEJEL-HXUWFJFHSA-N 0 1 386.448 3.663 20 5 GHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[C@H]1Cc1c(F)cccc1Cl ZINC000505804923 851545188 /nfs/dbraw/zinc/54/51/88/851545188.db2.gz IVTUMZMVZGJJMQ-LBPRGKRZSA-N 0 1 378.787 3.940 20 5 GHBDMN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000303828001 851699112 /nfs/dbraw/zinc/69/91/12/851699112.db2.gz LAOVVYGWIDRGLZ-HNNXBMFYSA-N 0 1 387.867 3.985 20 5 GHBDMN Cc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)N2CCCC2)o1 ZINC000132812290 862273936 /nfs/dbraw/zinc/27/39/36/862273936.db2.gz PLIUQIDDEDGOAV-GOSISDBHSA-N 0 1 394.431 3.611 20 5 GHBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000425553282 851917561 /nfs/dbraw/zinc/91/75/61/851917561.db2.gz MAIQMUVYKUZNMW-KBXCAEBGSA-N 0 1 398.463 3.987 20 5 GHBDMN C[C@@H](N[C@H](C)c1ccc(-n2cccn2)c(F)c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000550229421 852062850 /nfs/dbraw/zinc/06/28/50/852062850.db2.gz ITTTVHANTFTFBJ-ZIAGYGMSSA-N 0 1 397.410 3.597 20 5 GHBDMN O=C(Nc1nnc(-c2cccc(Cl)c2)s1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000506183598 852098723 /nfs/dbraw/zinc/09/87/23/852098723.db2.gz RQKRSQVUJTVMAI-UHFFFAOYSA-N 0 1 376.781 3.725 20 5 GHBDMN C[C@H](OC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)c1nc2ccc(Cl)cc2[nH]1 ZINC000732519798 862332170 /nfs/dbraw/zinc/33/21/70/862332170.db2.gz 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O=C(NCc1nc(-c2ccc(F)cc2)n[nH]1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000517973835 852668393 /nfs/dbraw/zinc/66/83/93/852668393.db2.gz ZIBVGFFMRHOBKU-UHFFFAOYSA-N 0 1 397.391 3.664 20 5 GHBDMN O=C(NCc1n[nH]c(-c2ccc(F)cc2)n1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000517973835 852668398 /nfs/dbraw/zinc/66/83/98/852668398.db2.gz ZIBVGFFMRHOBKU-UHFFFAOYSA-N 0 1 397.391 3.664 20 5 GHBDMN COc1ccc(OCCSc2nc(-c3ccccc3F)n[nH]2)c([N+](=O)[O-])c1 ZINC000133080955 862387151 /nfs/dbraw/zinc/38/71/51/862387151.db2.gz HVQGVCQUAGAETC-UHFFFAOYSA-N 0 1 390.396 3.699 20 5 GHBDMN O=C(NCCOCc1ccc(Cl)cc1Cl)c1cc(O)cc([N+](=O)[O-])c1 ZINC000507367816 852846647 /nfs/dbraw/zinc/84/66/47/852846647.db2.gz HLVYYWSUMDZGOV-UHFFFAOYSA-N 0 1 385.203 3.554 20 5 GHBDMN O=C(COc1cccc([N+](=O)[O-])c1)Nc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000490327146 852957208 /nfs/dbraw/zinc/95/72/08/852957208.db2.gz AFVOFWCOWWOEEK-UHFFFAOYSA-N 0 1 380.282 3.507 20 5 GHBDMN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000490361692 852981303 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CSc1cccc(C(=O)N2CCN(C3CCC(C)CC3)CC2)c1[N+](=O)[O-] ZINC000486187891 857529144 /nfs/dbraw/zinc/52/91/44/857529144.db2.gz DMWATWKMNAOLSK-UHFFFAOYSA-N 0 1 377.510 3.653 20 5 GHBDMN COc1cc(CNCc2c[nH]nc2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000192948091 857763281 /nfs/dbraw/zinc/76/32/81/857763281.db2.gz QTPNJIIZALXIFZ-UHFFFAOYSA-N 0 1 382.420 3.504 20 5 GHBDMN COC(=O)c1cccc2nc(NC(=O)c3ccc(C(C)C)c([N+](=O)[O-])c3)[nH]c21 ZINC000438948961 857808288 /nfs/dbraw/zinc/80/82/88/857808288.db2.gz BDHAEJLRQANJCH-UHFFFAOYSA-N 0 1 382.376 3.633 20 5 GHBDMN Cc1ccc(NC(=O)[C@@H]2CCCN(C/C=C\c3ccccc3[N+](=O)[O-])C2)nc1 ZINC000255568907 858006896 /nfs/dbraw/zinc/00/68/96/858006896.db2.gz UUOQXBCITJSQKK-NCRRVARUSA-N 0 1 380.448 3.662 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000595038610 858375818 /nfs/dbraw/zinc/37/58/18/858375818.db2.gz LVXATTJNIMIHKM-HOCLYGCPSA-N 0 1 384.436 3.560 20 5 GHBDMN COc1ccc(C[N@H+]2C[C@H](C(=O)[O-])[C@@H](c3ccc(Cl)cc3)C2)cc1[N+](=O)[O-] 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376.388 3.566 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N2C[C@H](c3cccc(F)c3)OCC2(C)C)c1[N+](=O)[O-] ZINC000598224428 860168347 /nfs/dbraw/zinc/16/83/47/860168347.db2.gz SGUIWIBUFORAQC-CQSZACIVSA-N 0 1 390.415 3.573 20 5 GHBDMN CCn1cc(CNCc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cn1 ZINC000265549371 860188837 /nfs/dbraw/zinc/18/88/37/860188837.db2.gz SQPBSHZKPZMFJH-UHFFFAOYSA-N 0 1 396.447 3.689 20 5 GHBDMN O=C(Nc1nnc(Cc2ccc(Cl)cc2)s1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000428890707 860235414 /nfs/dbraw/zinc/23/54/14/860235414.db2.gz VNFLQIWPSPAFJK-UHFFFAOYSA-N 0 1 390.808 3.648 20 5 GHBDMN CC(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000124142594 860247459 /nfs/dbraw/zinc/24/74/59/860247459.db2.gz MHZDLPUGRIKNQA-MRXNPFEDSA-N 0 1 385.464 3.839 20 5 GHBDMN Cc1cc(NS(=O)(=O)c2ccc(F)cc2C(F)(F)F)ccc1[N+](=O)[O-] ZINC000093930514 860377959 /nfs/dbraw/zinc/37/79/59/860377959.db2.gz GVTSHAVUNAWFOD-UHFFFAOYSA-N 0 1 378.303 3.862 20 5 GHBDMN COc1cc(C(=O)Nc2cc3cn[nH]c3cc2C)c([N+](=O)[O-])cc1OC(F)F ZINC000481319949 861034995 /nfs/dbraw/zinc/03/49/95/861034995.db2.gz UOGITHQPNSKKFG-UHFFFAOYSA-N 0 1 392.318 3.642 20 5 GHBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)c1 ZINC000593738863 861119775 /nfs/dbraw/zinc/11/97/75/861119775.db2.gz MGZKECPDCUSWQU-HNNXBMFYSA-N 0 1 386.379 3.527 20 5 GHBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)c1 ZINC000593738863 861119783 /nfs/dbraw/zinc/11/97/83/861119783.db2.gz MGZKECPDCUSWQU-HNNXBMFYSA-N 0 1 386.379 3.527 20 5 GHBDMN Cc1cc(NC2CCN(Cc3ccccn3)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000302031613 861179835 /nfs/dbraw/zinc/17/98/35/861179835.db2.gz SFSUZEVAKWZSEB-UHFFFAOYSA-N 0 1 377.448 3.923 20 5 GHBDMN CCc1[nH]nc(C(=O)N(Cc2cccc(Br)c2)C(C)C)c1[N+](=O)[O-] ZINC000444023809 863163337 /nfs/dbraw/zinc/16/33/37/863163337.db2.gz LCTZQIBCUDZLDG-UHFFFAOYSA-N 0 1 395.257 3.694 20 5 GHBDMN C[C@H](NCc1cc(Cl)ccc1N1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000499239052 881676310 /nfs/dbraw/zinc/67/63/10/881676310.db2.gz ZPVVYFQCAOHLLR-AWEZNQCLSA-N 0 1 375.856 3.936 20 5 GHBDMN CC1CCC(N(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H]2CCCO2)CC1 ZINC000444211910 863673073 /nfs/dbraw/zinc/67/30/73/863673073.db2.gz JEAIZCZBZZMFPE-OUNSHVDWSA-N 0 1 389.496 3.617 20 5 GHBDMN O=[N+]([O-])c1cccc2c1CCN(C[C@H](O)Cc1ccc(C(F)(F)F)cc1)C2 ZINC000153053699 881693844 /nfs/dbraw/zinc/69/38/44/881693844.db2.gz UEQCQWRWVTVIAG-MRXNPFEDSA-N 0 1 380.366 3.575 20 5 GHBDMN COc1cccc([C@H](CNC(=O)Nc2cc([N+](=O)[O-])ccc2C)N2CCCC2)c1 ZINC000043149702 864200788 /nfs/dbraw/zinc/20/07/88/864200788.db2.gz XVWAHEDOAIFHMR-FQEVSTJZSA-N 0 1 398.463 3.870 20 5 GHBDMN CC(C)CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CCCc2cccnc21 ZINC000127104485 864322515 /nfs/dbraw/zinc/32/25/15/864322515.db2.gz WCWYZAVNWOAEJK-GOSISDBHSA-N 0 1 382.464 3.624 20 5 GHBDMN C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000716275985 865383756 /nfs/dbraw/zinc/38/37/56/865383756.db2.gz DUMSCTCDICUCRF-KUHUBIRLSA-N 0 1 387.867 3.889 20 5 GHBDMN Cc1cc(F)ccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000174287565 865675463 /nfs/dbraw/zinc/67/54/63/865675463.db2.gz SIFNMHRVDKVBIB-UHFFFAOYSA-N 0 1 389.202 3.606 20 5 GHBDMN O=C(N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)c1n[nH]cc1[N+](=O)[O-] ZINC000444429300 866262381 /nfs/dbraw/zinc/26/23/81/866262381.db2.gz CMMIUVZRDTXUAK-SECBINFHSA-N 0 1 396.247 3.760 20 5 GHBDMN O=C(OCc1cc(F)ccc1[N+](=O)[O-])[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000741328808 866410630 /nfs/dbraw/zinc/41/06/30/866410630.db2.gz VLGBCVLKJAFOGR-OAHLLOKOSA-N 0 1 390.386 3.828 20 5 GHBDMN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2nc(C3CC3)no2)cc1 ZINC001273389500 866555023 /nfs/dbraw/zinc/55/50/23/866555023.db2.gz OHLBYGLGZHYLAF-UHFFFAOYSA-N 0 1 396.359 3.908 20 5 GHBDMN COC(=O)c1cc([N+](=O)[O-])c(NC[C@@H](c2ccco2)N2CCCC2)cc1Cl ZINC000741747488 866752100 /nfs/dbraw/zinc/75/21/00/866752100.db2.gz UFKTXRJJSABPAB-INIZCTEOSA-N 0 1 393.827 3.877 20 5 GHBDMN COc1cc(CNCc2ccc([N+](=O)[O-])cc2C)cc(Br)c1OC ZINC000183475031 866768809 /nfs/dbraw/zinc/76/88/09/866768809.db2.gz YWFXONXQNKZUAB-UHFFFAOYSA-N 0 1 395.253 3.973 20 5 GHBDMN COc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000021138740 867071405 /nfs/dbraw/zinc/07/14/05/867071405.db2.gz GVNWJNXPIVTSKJ-NSHDSACASA-N 0 1 399.432 3.508 20 5 GHBDMN COc1cc(C(=O)Nc2c(C)noc2-c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000131025863 867265935 /nfs/dbraw/zinc/26/59/35/867265935.db2.gz QFGCWCZNYCIYKW-UHFFFAOYSA-N 0 1 383.360 3.828 20 5 GHBDMN COc1cc(C(=O)Nc2ccc3nc([C@H]4CCCO4)[nH]c3c2)ccc1[N+](=O)[O-] ZINC000195323843 882073177 /nfs/dbraw/zinc/07/31/77/882073177.db2.gz XQWZCNGQHBRNCQ-MRXNPFEDSA-N 0 1 382.376 3.584 20 5 GHBDMN Cc1ccc2nc([C@@H]3CCCN3C(=O)NCCc3cccc([N+](=O)[O-])c3)[nH]c2c1 ZINC000534719019 867364082 /nfs/dbraw/zinc/36/40/82/867364082.db2.gz CHPZBBREYFRQJW-IBGZPJMESA-N 0 1 393.447 3.869 20 5 GHBDMN C[C@@]1(NCc2csc([N+](=O)[O-])c2)CCN(C(=O)OCc2ccccc2)C1 ZINC000793342963 882092311 /nfs/dbraw/zinc/09/23/11/882092311.db2.gz HORYHFPQHHGMIF-GOSISDBHSA-N 0 1 375.450 3.547 20 5 GHBDMN CN(c1ccccc1)c1ccc(CNC(C)(C)C(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000793396398 882172372 /nfs/dbraw/zinc/17/23/72/882172372.db2.gz YCBZBBDJIWGTEV-UHFFFAOYSA-N 0 1 396.491 3.853 20 5 GHBDMN C[C@@H]1CCN(C)CCN1C(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442715901 868375433 /nfs/dbraw/zinc/37/54/33/868375433.db2.gz BYLPKNXTXFESSI-OAHLLOKOSA-N 0 1 385.489 3.912 20 5 GHBDMN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(CN(C)C)c(F)c1 ZINC000127316747 868879809 /nfs/dbraw/zinc/87/98/09/868879809.db2.gz XGSNCSCIEZMNTI-UHFFFAOYSA-N 0 1 391.468 3.838 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCCc1cccc(F)c1 ZINC000462475077 869499770 /nfs/dbraw/zinc/49/97/70/869499770.db2.gz NSWQTEYPVWSRIA-UHFFFAOYSA-N 0 1 393.223 3.562 20 5 GHBDMN COc1cc(CN[C@@H]2C[C@@H](O)C23CCC3)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000594986718 869655068 /nfs/dbraw/zinc/65/50/68/869655068.db2.gz HBMOXJWNOCGPTL-NHCUHLMSSA-N 0 1 398.459 3.576 20 5 GHBDMN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000524866571 869691714 /nfs/dbraw/zinc/69/17/14/869691714.db2.gz DFIBQHILWXYNLA-OAHLLOKOSA-N 0 1 387.867 3.985 20 5 GHBDMN CCc1nn(C)c(NC[C@H](c2ccccc2OC)N2CCCCC2)c1[N+](=O)[O-] ZINC000539844282 869889818 /nfs/dbraw/zinc/88/98/18/869889818.db2.gz OEJFSWPKMAGLNM-QGZVFWFLSA-N 0 1 387.484 3.538 20 5 GHBDMN Cc1c([C@@H](C)N[C@@H]2CC(=O)N(c3c(F)cccc3F)C2)cccc1[N+](=O)[O-] ZINC000539969082 870130261 /nfs/dbraw/zinc/13/02/61/870130261.db2.gz LSINSTPUJCBHQR-CHWSQXEVSA-N 0 1 375.375 3.638 20 5 GHBDMN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCc1n[nH]c(-c2ccccc2)n1 ZINC000775525712 870375241 /nfs/dbraw/zinc/37/52/41/870375241.db2.gz BFPDCJLSLBLTQW-UHFFFAOYSA-N 0 1 397.460 3.810 20 5 GHBDMN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCc1nc(-c2ccccc2)n[nH]1 ZINC000775525712 870375258 /nfs/dbraw/zinc/37/52/58/870375258.db2.gz BFPDCJLSLBLTQW-UHFFFAOYSA-N 0 1 397.460 3.810 20 5 GHBDMN Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2OCC2CC2)cc1[N+](=O)[O-] ZINC000525368855 870518269 /nfs/dbraw/zinc/51/82/69/870518269.db2.gz PUDBMDAKTXSFEK-UHFFFAOYSA-N 0 1 380.397 3.632 20 5 GHBDMN Cc1cc(C(=O)N2CCC[C@H](c3nnc(-c4ccccc4)[nH]3)C2)cc([N+](=O)[O-])c1 ZINC000181338448 870846418 /nfs/dbraw/zinc/84/64/18/870846418.db2.gz GIILSPGNEFICNQ-INIZCTEOSA-N 0 1 391.431 3.708 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000181349514 870885833 /nfs/dbraw/zinc/88/58/33/870885833.db2.gz GDUAZNJUZRDZQF-MRXNPFEDSA-N 0 1 391.431 3.708 20 5 GHBDMN CO[C@H](C)c1nc(CNC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cs1 ZINC000766527724 871002524 /nfs/dbraw/zinc/00/25/24/871002524.db2.gz ILSXLAJUDQBMNV-CYBMUJFWSA-N 0 1 376.482 3.517 20 5 GHBDMN O=C(CNC1(c2ccccc2)CC1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000540358893 871116323 /nfs/dbraw/zinc/11/63/23/871116323.db2.gz BLJFULATFGEIFY-UHFFFAOYSA-N 0 1 394.456 3.936 20 5 GHBDMN Cc1occc1C(=O)NC1CCN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000272824126 871201317 /nfs/dbraw/zinc/20/13/17/871201317.db2.gz JNOVOHUVURJXHE-UHFFFAOYSA-N 0 1 394.431 3.752 20 5 GHBDMN C[C@@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(OCC2CC2)c(F)c1 ZINC000181574642 871202727 /nfs/dbraw/zinc/20/27/27/871202727.db2.gz ZFUMAYBIHDFBOW-CYBMUJFWSA-N 0 1 387.411 3.812 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2nc(CNCc3nc(-c4ccccc4)n[nH]3)cs2)c1 ZINC000733900857 871265068 /nfs/dbraw/zinc/26/50/68/871265068.db2.gz MVPAWVZRRAHJLY-UHFFFAOYSA-N 0 1 392.444 3.793 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2nc(CNCc3n[nH]c(-c4ccccc4)n3)cs2)c1 ZINC000733900857 871265093 /nfs/dbraw/zinc/26/50/93/871265093.db2.gz MVPAWVZRRAHJLY-UHFFFAOYSA-N 0 1 392.444 3.793 20 5 GHBDMN O=C1C[C@H](N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)CN1c1c(F)cccc1F ZINC000447576156 871920668 /nfs/dbraw/zinc/92/06/68/871920668.db2.gz WMQRBWPBSQHSPU-UGSOOPFHSA-N 0 1 387.386 3.646 20 5 GHBDMN CCOc1ccccc1[C@H](CC)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000182401288 872283732 /nfs/dbraw/zinc/28/37/32/872283732.db2.gz SZBYMPPKXQBHFG-SFHVURJKSA-N 0 1 392.477 3.508 20 5 GHBDMN COc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)ccc1C(F)(F)F ZINC000447788430 872301980 /nfs/dbraw/zinc/30/19/80/872301980.db2.gz VFEGLRKEEMXDOZ-UHFFFAOYSA-N 0 1 390.339 3.731 20 5 GHBDMN CCSc1ccc([C@@H](C)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000182412647 872307746 /nfs/dbraw/zinc/30/77/46/872307746.db2.gz YDPBENIKTFUCRG-CQSZACIVSA-N 0 1 394.518 3.831 20 5 GHBDMN COc1ccc(C[C@H](C)CN[C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000552275314 872371904 /nfs/dbraw/zinc/37/19/04/872371904.db2.gz RLXDTAFEDJUXQD-KKSFZXQISA-N 0 1 394.475 3.895 20 5 GHBDMN O=[N+]([O-])c1cc(CN[C@H](CO)[C@H]2CCCO2)ccc1Oc1ccccc1Cl ZINC000447975868 872592823 /nfs/dbraw/zinc/59/28/23/872592823.db2.gz IGSLUUPSBUOOTQ-CRAIPNDOSA-N 0 1 392.839 3.670 20 5 GHBDMN CCn1nc(C)c([N+](=O)[O-])c1N1CCC[C@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000619488520 872685150 /nfs/dbraw/zinc/68/51/50/872685150.db2.gz IHCFHDWTCXRTQV-HNNXBMFYSA-N 0 1 387.488 3.669 20 5 GHBDMN CCn1nc(C)c([N+](=O)[O-])c1N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000619488520 872685157 /nfs/dbraw/zinc/68/51/57/872685157.db2.gz IHCFHDWTCXRTQV-HNNXBMFYSA-N 0 1 387.488 3.669 20 5 GHBDMN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000448034771 872723864 /nfs/dbraw/zinc/72/38/64/872723864.db2.gz LGEYGXBBXONZDT-YWZLYKJASA-N 0 1 382.464 3.825 20 5 GHBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000767810742 872869102 /nfs/dbraw/zinc/86/91/02/872869102.db2.gz JVYWKIWHTAGBGX-UHFFFAOYSA-N 0 1 382.376 3.524 20 5 GHBDMN Cc1[nH]nc(C(=O)N2CC=C(c3ccccc3C(F)(F)F)CC2)c1[N+](=O)[O-] ZINC000478405937 872955954 /nfs/dbraw/zinc/95/59/54/872955954.db2.gz SKUIHTKNQAUTCD-UHFFFAOYSA-N 0 1 380.326 3.575 20 5 GHBDMN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000541261311 873231975 /nfs/dbraw/zinc/23/19/75/873231975.db2.gz DVSNWIJEUFTVPQ-KRWDZBQOSA-N 0 1 399.516 3.810 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@H]3CCCCS3(=O)=O)o2)c(Cl)c1 ZINC000541553713 873858792 /nfs/dbraw/zinc/85/87/92/873858792.db2.gz UEAAXOPBWQOYOI-CQSZACIVSA-N 0 1 398.868 3.565 20 5 GHBDMN O=C1CCCCN1[C@@H]1CCCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000769342361 873985870 /nfs/dbraw/zinc/98/58/70/873985870.db2.gz LJHCWHYSDPSICS-GOSISDBHSA-N 0 1 383.448 3.832 20 5 GHBDMN O=C(N[C@@H]1CCN(C2CC2)C1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000541681051 874087239 /nfs/dbraw/zinc/08/72/39/874087239.db2.gz OQJBKTZNXJIDGP-OAHLLOKOSA-N 0 1 389.521 3.844 20 5 GHBDMN Cc1cc(C)cc(C2CCN(CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)CC2)c1 ZINC001198466588 874420374 /nfs/dbraw/zinc/42/03/74/874420374.db2.gz BGUTYNUYXKWIHS-UHFFFAOYSA-N 0 1 393.487 3.980 20 5 GHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000541876577 874448594 /nfs/dbraw/zinc/44/85/94/874448594.db2.gz UUPBVSJCNHRVDG-LBPRGKRZSA-N 0 1 383.429 3.930 20 5 GHBDMN O=C1[C@@H](N2CC[C@H](CSc3ccccc3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000464766661 874458926 /nfs/dbraw/zinc/45/89/26/874458926.db2.gz UWVXULBHFXBKOO-JXFKEZNVSA-N 0 1 397.500 3.814 20 5 GHBDMN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@@H](CC(F)(F)F)c1ccccc1 ZINC000542254680 875257596 /nfs/dbraw/zinc/25/75/96/875257596.db2.gz SYRGZDQVKQHMQK-CABCVRRESA-N 0 1 384.354 3.618 20 5 GHBDMN CN(C)C(=O)N[C@@H]1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000449747913 875342944 /nfs/dbraw/zinc/34/29/44/875342944.db2.gz YTMVZKKVDNDYDZ-OAHLLOKOSA-N 0 1 388.493 3.559 20 5 GHBDMN O=[N+]([O-])c1ccc([C@H](O)CSc2nc(-c3ccc(Cl)cc3)n[nH]2)cc1 ZINC000776270668 876108589 /nfs/dbraw/zinc/10/85/89/876108589.db2.gz FRPLLWYVIGJJCK-CQSZACIVSA-N 0 1 376.825 3.859 20 5 GHBDMN O=C(OCc1ccc(Br)c([N+](=O)[O-])c1)c1cccc2[nH]ncc21 ZINC000785586199 876112623 /nfs/dbraw/zinc/11/26/23/876112623.db2.gz BXKZSAVKWGMIRG-UHFFFAOYSA-N 0 1 376.166 3.591 20 5 GHBDMN O=C(Nc1nnc(Cc2cccc(F)c2)s1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000107165593 876316817 /nfs/dbraw/zinc/31/68/17/876316817.db2.gz VSFPZUBHJZJMMG-UHFFFAOYSA-N 0 1 394.334 3.707 20 5 GHBDMN CC[C@H](CS(=O)(=O)c1ccccc1)N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193045809 876780448 /nfs/dbraw/zinc/78/04/48/876780448.db2.gz MSOUXTJJIFIQCX-UZLBHIALSA-N 0 1 388.489 3.814 20 5 GHBDMN Cc1ccc(CNC(=O)C2CCN(Cc3ccc(C)c([N+](=O)[O-])c3)CC2)cc1F ZINC000153155425 876901432 /nfs/dbraw/zinc/90/14/32/876901432.db2.gz PEKGVAZKPIETCO-UHFFFAOYSA-N 0 1 399.466 3.879 20 5 GHBDMN O=[N+]([O-])c1cccc([C@H](NCC[S@](=O)CC(F)(F)F)c2ccccc2)c1 ZINC000850496861 876972784 /nfs/dbraw/zinc/97/27/84/876972784.db2.gz QPSIGMOLTUJFPL-DXPJPUQTSA-N 0 1 386.395 3.585 20 5 GHBDMN CCOc1cc(CN2CCCN(Cc3ccc(F)cc3)CC2)ccc1[N+](=O)[O-] ZINC000492512009 876973261 /nfs/dbraw/zinc/97/32/61/876973261.db2.gz KATGTJJJRUYRRH-UHFFFAOYSA-N 0 1 387.455 3.841 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCc2cc(F)ccc2[C@H]1C ZINC000610003731 877277754 /nfs/dbraw/zinc/27/77/54/877277754.db2.gz IRZREQBJCBEKQB-CYBMUJFWSA-N 0 1 387.411 3.690 20 5 GHBDMN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H](c1cccc(F)c1)N(C)C ZINC000477314327 877411739 /nfs/dbraw/zinc/41/17/39/877411739.db2.gz DRJXPNSVYLYXJP-MRXNPFEDSA-N 0 1 379.819 3.728 20 5 GHBDMN CN(C)[C@H](CNC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000610100275 877414914 /nfs/dbraw/zinc/41/49/14/877414914.db2.gz NLPNNBVINBDLHF-GOSISDBHSA-N 0 1 390.509 3.581 20 5 GHBDMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000451225474 877614938 /nfs/dbraw/zinc/61/49/38/877614938.db2.gz HXOIJSRKPDGRFV-UHFFFAOYSA-N 0 1 384.358 3.906 20 5 GHBDMN Cc1ccc(NC(=O)[C@H](N[C@@H]2CCOC2(C)C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000451240543 877639595 /nfs/dbraw/zinc/63/95/95/877639595.db2.gz HVHLRJATZYKFLB-RTBURBONSA-N 0 1 383.448 3.740 20 5 GHBDMN Cc1ccc(NC(=O)[C@@H](N[C@@H]2CCOC2(C)C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000451240540 877639843 /nfs/dbraw/zinc/63/98/43/877639843.db2.gz HVHLRJATZYKFLB-MOPGFXCFSA-N 0 1 383.448 3.740 20 5 GHBDMN COc1cccc(F)c1[C@@H](C)NCCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000179927783 878244113 /nfs/dbraw/zinc/24/41/13/878244113.db2.gz RYKLCZFSVOYWPQ-CYBMUJFWSA-N 0 1 375.400 3.730 20 5 GHBDMN C[C@@H](NCc1cc(Cl)ccc1N1CCOCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788817157 878353927 /nfs/dbraw/zinc/35/39/27/878353927.db2.gz XCELVXAYBXAEHH-CYBMUJFWSA-N 0 1 390.871 3.518 20 5 GHBDMN O=C1C[C@H](NCc2cccc([N+](=O)[O-])c2)CN1c1cccc(C(F)(F)F)c1 ZINC000530729953 878361776 /nfs/dbraw/zinc/36/17/76/878361776.db2.gz UMBDQLHEOIZXJP-AWEZNQCLSA-N 0 1 379.338 3.509 20 5 GHBDMN Cc1cc([N+](=O)[O-])c(C)cc1NS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000788846894 878381720 /nfs/dbraw/zinc/38/17/20/878381720.db2.gz XAXDSMCNMXLOKV-UHFFFAOYSA-N 0 1 379.394 3.537 20 5 GHBDMN Cc1cc(C)c(N2CC[C@@H](NC/C=C\c3ccccc3[N+](=O)[O-])C2=O)c(C)c1 ZINC000788972809 878481356 /nfs/dbraw/zinc/48/13/56/878481356.db2.gz HEAQDFYCCVNRHL-MONCILHSSA-N 0 1 379.460 3.928 20 5 GHBDMN CN(C)[C@@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000530828561 878558882 /nfs/dbraw/zinc/55/88/82/878558882.db2.gz WRFGFLDATJOSAM-INIZCTEOSA-N 0 1 382.247 3.934 20 5 GHBDMN CC[C@H]1c2ccccc2CCN1Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000616135981 878567249 /nfs/dbraw/zinc/56/72/49/878567249.db2.gz GDZKMGHJOGUZCP-SFHVURJKSA-N 0 1 384.432 3.656 20 5 GHBDMN C[C@@H](NC(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000530839794 878586311 /nfs/dbraw/zinc/58/63/11/878586311.db2.gz YUMCIQYUUDSZGS-ACJLOTCBSA-N 0 1 390.871 3.911 20 5 GHBDMN C[C@H](N[C@@H](C)c1ccccc1OC(F)F)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000538144916 878892725 /nfs/dbraw/zinc/89/27/25/878892725.db2.gz NVPJMNDZMTZPKL-RYUDHWBXSA-N 0 1 379.363 3.874 20 5 GHBDMN COc1cc(C)c([C@H](C)NCC(=O)Nc2c(C)cccc2[N+](=O)[O-])cc1OC ZINC000538189403 879007200 /nfs/dbraw/zinc/00/72/00/879007200.db2.gz YYBFJJPAUWZGHT-AWEZNQCLSA-N 0 1 387.436 3.518 20 5 GHBDMN Cc1ccc(NC(=O)[C@H](N[C@@H]2CCC[C@]2(C)CO)c2ccccc2)c([N+](=O)[O-])c1 ZINC000493442514 879437910 /nfs/dbraw/zinc/43/79/10/879437910.db2.gz MOPDZKARCAMAHK-KCZVDYSFSA-N 0 1 397.475 3.724 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000531315402 879594486 /nfs/dbraw/zinc/59/44/86/879594486.db2.gz OMKBBDSRQPTQQM-INIZCTEOSA-N 0 1 392.843 3.681 20 5 GHBDMN O=[N+]([O-])c1cc(NS(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)ccc1F ZINC000790342971 879643501 /nfs/dbraw/zinc/64/35/01/879643501.db2.gz ZBHVNVMZJOCNFF-UHFFFAOYSA-N 0 1 382.266 3.693 20 5 GHBDMN CCn1cc([C@@H](O)CN(Cc2ccccc2)Cc2cccc([N+](=O)[O-])c2)cn1 ZINC000792187020 880975811 /nfs/dbraw/zinc/97/58/11/880975811.db2.gz KVBKPRJGVXQCTM-NRFANRHFSA-N 0 1 380.448 3.547 20 5 GHBDMN O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCc1nc2ccc(Cl)cc2[nH]1 ZINC000609493540 883257509 /nfs/dbraw/zinc/25/75/09/883257509.db2.gz GJAXMVALOPTSPG-UHFFFAOYSA-N 0 1 387.827 3.633 20 5 GHBDMN O=C(CSc1nc(-c2ccccc2)n[nH]1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000006178287 883468468 /nfs/dbraw/zinc/46/84/68/883468468.db2.gz CEOUQXFFWSBNOT-UHFFFAOYSA-N 0 1 389.824 3.764 20 5 GHBDMN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCc1nc2ccc(Cl)cc2[nH]1 ZINC000609793914 883690586 /nfs/dbraw/zinc/69/05/86/883690586.db2.gz ZJHBEXKEOHVFEF-UHFFFAOYSA-N 0 1 379.203 3.637 20 5 GHBDMN C[C@H](CNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000914571872 884178261 /nfs/dbraw/zinc/17/82/61/884178261.db2.gz OAESYBAZXISKTQ-LOWQCSRCSA-N 0 1 381.432 3.551 20 5 GHBDMN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc2oc(C(C)C)nc2c1 ZINC000032097563 884211908 /nfs/dbraw/zinc/21/19/08/884211908.db2.gz XKEFPOWZTXCBCP-UHFFFAOYSA-N 0 1 375.406 3.969 20 5 GHBDMN COc1ccc(C(=O)N2C[C@H](C)N(Cc3ccccc3)[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC001130668728 884809178 /nfs/dbraw/zinc/80/91/78/884809178.db2.gz PNUUNDVEKJBBTN-YESZJQIVSA-N 0 1 397.475 3.727 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H](c2ccccc2C)C[C@@H]1C ZINC000532587330 886189110 /nfs/dbraw/zinc/18/91/10/886189110.db2.gz YEZXZPMJDMUPIV-HOTGVXAUSA-N 0 1 383.448 3.728 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H](c2ccccc2C)C[C@@H]1C ZINC000532587330 886189117 /nfs/dbraw/zinc/18/91/17/886189117.db2.gz YEZXZPMJDMUPIV-HOTGVXAUSA-N 0 1 383.448 3.728 20 5 GHBDMN C[C@@H]1CCNC(=O)[C@H]1NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000193695334 887262792 /nfs/dbraw/zinc/26/27/92/887262792.db2.gz KRPXWYGSDLAVMB-XIKOKIGWSA-N 0 1 389.839 3.655 20 5 GHBDMN CCC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000794576110 887485305 /nfs/dbraw/zinc/48/53/05/887485305.db2.gz CSLFMQBHFURPSC-UHFFFAOYSA-N 0 1 382.825 3.950 20 5 GHBDMN C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])NCc1nnc2ccc(C(F)(F)F)cn21 ZINC000866220899 888785143 /nfs/dbraw/zinc/78/51/43/888785143.db2.gz LBTUOEOSTKSXQE-SNVBAGLBSA-N 0 1 397.332 3.516 20 5 GHBDMN Cc1c(F)cccc1NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000121805318 889157824 /nfs/dbraw/zinc/15/78/24/889157824.db2.gz JVKZHXBNIMPPSQ-UHFFFAOYSA-N 0 1 389.202 3.606 20 5 GHBDMN CC(C)OCCCN1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000532914641 889272081 /nfs/dbraw/zinc/27/20/81/889272081.db2.gz IHYPCRWUPWRAGK-UHFFFAOYSA-N 0 1 375.391 3.551 20 5 GHBDMN CCCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@H]1CCc2ccccc21 ZINC000532935157 889378616 /nfs/dbraw/zinc/37/86/16/889378616.db2.gz OMMLVDSEPQUTIJ-IBGZPJMESA-N 0 1 383.448 3.941 20 5 GHBDMN Cc1cc(C(F)(F)F)ncc1NS(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC000811711542 889888464 /nfs/dbraw/zinc/88/84/64/889888464.db2.gz JMHRYLNULXIEAG-UHFFFAOYSA-N 0 1 393.318 3.565 20 5 GHBDMN CC[C@@H](NCc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1OCC(=O)NC ZINC000916836235 890271667 /nfs/dbraw/zinc/27/16/67/890271667.db2.gz GFLDTFNHZUDZOH-MRXNPFEDSA-N 0 1 391.855 3.614 20 5 GHBDMN Cc1ccc(C(=O)N(C)c2ccc(OC(=O)c3ccc([N+](=O)[O-])[nH]3)cc2)cc1 ZINC000917032291 890777785 /nfs/dbraw/zinc/77/77/85/890777785.db2.gz XBHPVSPIJRCJKC-UHFFFAOYSA-N 0 1 379.372 3.727 20 5 GHBDMN C[C@@H]1CN(C)C[C@@H](C)N1C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000533777670 892940232 /nfs/dbraw/zinc/94/02/32/892940232.db2.gz FSDGRNGFEXKQBS-HUUCEWRRSA-N 0 1 385.489 3.911 20 5 GHBDMN COc1cc(CN2CC[C@@H](Cc3nccs3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000934332157 893552519 /nfs/dbraw/zinc/55/25/19/893552519.db2.gz DJGCMZGARNKJAW-NSHDSACASA-N 0 1 399.419 3.726 20 5 GHBDMN O=[N+]([O-])c1cc(F)cnc1-c1noc(-c2cc(-c3ccc(Cl)cc3)n[nH]2)n1 ZINC001212780604 893583230 /nfs/dbraw/zinc/58/32/30/893583230.db2.gz YRZZARUHCOHVGO-UHFFFAOYSA-N 0 1 386.730 3.889 20 5 GHBDMN O=[N+]([O-])c1cccc(Br)c1NCc1nc(-c2ccc(F)cc2)n[nH]1 ZINC001185307126 913795759 /nfs/dbraw/zinc/79/57/59/913795759.db2.gz XDMNKYTUKTZJHR-UHFFFAOYSA-N 0 1 392.188 3.894 20 5 GHBDMN O=[N+]([O-])c1cccc(Br)c1NCc1n[nH]c(-c2ccc(F)cc2)n1 ZINC001185307126 913795764 /nfs/dbraw/zinc/79/57/64/913795764.db2.gz XDMNKYTUKTZJHR-UHFFFAOYSA-N 0 1 392.188 3.894 20 5 GHBDMN COc1cc(CN[C@@H](c2ccncc2)C2CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000934685528 893811068 /nfs/dbraw/zinc/81/10/68/893811068.db2.gz FMHCUBSAIVNBGL-QGZVFWFLSA-N 0 1 379.363 3.841 20 5 GHBDMN CCOc1ccc([C@@H](C)NCc2ccc(C(=O)OC)c(OC)c2)cc1[N+](=O)[O-] ZINC000536828227 893858195 /nfs/dbraw/zinc/85/81/95/893858195.db2.gz QNNCGZIGPMBXFU-CYBMUJFWSA-N 0 1 388.420 3.640 20 5 GHBDMN Cc1ccc2nc(NC(=O)c3ccc([N+](=O)[O-])cc3Br)[nH]c2c1 ZINC000564553350 895075155 /nfs/dbraw/zinc/07/51/55/895075155.db2.gz REERRBAKVJZWMC-UHFFFAOYSA-N 0 1 375.182 3.794 20 5 GHBDMN O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1Cl ZINC000211620391 896348073 /nfs/dbraw/zinc/34/80/73/896348073.db2.gz WSTFKKLSJHAXNH-UHFFFAOYSA-N 0 1 391.630 3.812 20 5 GHBDMN O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC001136219163 896702848 /nfs/dbraw/zinc/70/28/48/896702848.db2.gz LPILLIHDBAQATM-KRWDZBQOSA-N 0 1 389.839 3.521 20 5 GHBDMN O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCc2nc[nH]c2[C@H]1c1ccccc1 ZINC001170982838 898268627 /nfs/dbraw/zinc/26/86/27/898268627.db2.gz AHDJGYCSUUEZHZ-GOSISDBHSA-N 0 1 382.807 3.759 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N2C[C@H](c3ccccc3Cl)OC[C@H]2C)c1[N+](=O)[O-] ZINC000331543389 898969373 /nfs/dbraw/zinc/96/93/73/898969373.db2.gz HIVDNZFKFZMZDC-BXUZGUMPSA-N 0 1 392.843 3.697 20 5 GHBDMN C[C@@H]1c2c(F)cccc2CCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC001136938746 899798112 /nfs/dbraw/zinc/79/81/12/899798112.db2.gz FKFPLHKDZVOCSK-GFCCVEGCSA-N 0 1 380.379 3.884 20 5 GHBDMN CC(C)(C)O[C@@H]1C[C@H](NCc2cc(Cl)ccc2[N+](=O)[O-])[C@@H]1n1cccn1 ZINC000825118952 899991105 /nfs/dbraw/zinc/99/11/05/899991105.db2.gz ZOUFRUHSMPDWMI-UAGQMJEPSA-N 0 1 378.860 3.732 20 5 GHBDMN CCc1c(NC(=O)CCc2cc(F)ccc2[N+](=O)[O-])[nH]nc1-c1ccncc1 ZINC001143792315 900542282 /nfs/dbraw/zinc/54/22/82/900542282.db2.gz BFGOETJCTFEDKX-UHFFFAOYSA-N 0 1 383.383 3.653 20 5 GHBDMN C[C@@H]1C[C@@H](Nc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000844212449 900606939 /nfs/dbraw/zinc/60/69/39/900606939.db2.gz XNNUSWIMZCRLFX-TZCIALRTSA-N 0 1 381.432 3.768 20 5 GHBDMN COc1cc(CN2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000778942452 902024138 /nfs/dbraw/zinc/02/41/38/902024138.db2.gz DVBGQJHEEBEJTA-INIZCTEOSA-N 0 1 393.484 3.682 20 5 GHBDMN CC(C)(C)N1CC[C@H]1COC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000845734268 902355876 /nfs/dbraw/zinc/35/58/76/902355876.db2.gz GNODYPAGQLIIAV-AWEZNQCLSA-N 0 1 375.450 3.748 20 5 GHBDMN C[C@H]1CCCC[N@H+]1Cc1ccccc1CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000577377315 902724444 /nfs/dbraw/zinc/72/44/44/902724444.db2.gz GXYIGILSOFNKED-AWEZNQCLSA-N 0 1 384.436 3.675 20 5 GHBDMN COc1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)c(C(F)(F)F)c1 ZINC000577397120 902737914 /nfs/dbraw/zinc/73/79/14/902737914.db2.gz GMPVJOLZBBPESH-UHFFFAOYSA-N 0 1 390.339 3.731 20 5 GHBDMN COc1cc(-c2nc([C@H]3CCCN3)no2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000600772882 902893853 /nfs/dbraw/zinc/89/38/53/902893853.db2.gz UBTQMHFKHGYTNY-OAHLLOKOSA-N 0 1 396.403 3.657 20 5 GHBDMN COc1cccc(-c2ccc(CNC(=O)c3cc(O)cc([N+](=O)[O-])c3)cc2)c1 ZINC001146567785 903566478 /nfs/dbraw/zinc/56/64/78/903566478.db2.gz VMJOEWGOPLGTTN-UHFFFAOYSA-N 0 1 378.384 3.906 20 5 GHBDMN Cc1[nH]nc(C(=O)N(Cc2ccccc2)[C@@H](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC001148375463 904057823 /nfs/dbraw/zinc/05/78/23/904057823.db2.gz QHAYNCWOXOYSKO-HNNXBMFYSA-N 0 1 378.432 3.900 20 5 GHBDMN O=C(CCN1CCC[C@H]2O[C@@H](c3ccccc3)C[C@H]21)Nc1ccccc1[N+](=O)[O-] ZINC001171678735 904920143 /nfs/dbraw/zinc/92/01/43/904920143.db2.gz WDAPDBSRYRCODE-NJDAHSKKSA-N 0 1 395.459 3.918 20 5 GHBDMN CCOC[C@H]1CN([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)Cc2cnn(CC)c21 ZINC001172909034 905972109 /nfs/dbraw/zinc/97/21/09/905972109.db2.gz QPBUESMAMAPCHU-WOJBJXKFSA-N 0 1 398.507 3.695 20 5 GHBDMN Cc1nc2c(s1)CN(C1CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC1)CC2 ZINC001173017556 906095333 /nfs/dbraw/zinc/09/53/33/906095333.db2.gz FTVGQENUTXFXOJ-UHFFFAOYSA-N 0 1 394.447 3.665 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CCC3(CC(F)(F)CO3)CC2)c1F ZINC001173180110 906258063 /nfs/dbraw/zinc/25/80/63/906258063.db2.gz IKTRYHWBHNQBJH-LBPRGKRZSA-N 0 1 388.386 3.564 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C[C@H](C)NCc2ccn(Cc3ccccc3)n2)c1F ZINC001173184460 906265987 /nfs/dbraw/zinc/26/59/87/906265987.db2.gz QGZIKOATXYEKAZ-HNNXBMFYSA-N 0 1 398.438 3.708 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CC[C@H](C(=O)c3ccccc3)C2)c1F ZINC001173191489 906273955 /nfs/dbraw/zinc/27/39/55/906273955.db2.gz FLYFPLGLGUCWIK-ZBFHGGJFSA-N 0 1 386.423 3.878 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N(C)CCC(=O)c2cccs2)c1F ZINC001173193471 906277851 /nfs/dbraw/zinc/27/78/51/906277851.db2.gz SKGSNYZXATVSJE-GFCCVEGCSA-N 0 1 380.441 3.940 20 5 GHBDMN COc1ccc(CN(C)[C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])c(OC)c1 ZINC001173195865 906281886 /nfs/dbraw/zinc/28/18/86/906281886.db2.gz JTCOARJNKBSGBO-ZDUSSCGKSA-N 0 1 392.427 3.823 20 5 GHBDMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000191391886 906943236 /nfs/dbraw/zinc/94/32/36/906943236.db2.gz KGHBJSBSFODAOB-UHFFFAOYSA-N 0 1 397.479 3.916 20 5 GHBDMN O=[N+]([O-])c1cc(NS(=O)(=O)c2ccccc2-c2ccno2)ccc1Cl ZINC000779459547 907252168 /nfs/dbraw/zinc/25/21/68/907252168.db2.gz BSSVRHSCTZZLHX-UHFFFAOYSA-N 0 1 379.781 3.704 20 5 GHBDMN CC(C)[C@@H](C(=O)OCc1ccc(Br)c([N+](=O)[O-])c1)N1CCCC1 ZINC000773424872 907282429 /nfs/dbraw/zinc/28/24/29/907282429.db2.gz KZGVMNJBTQBTKN-HNNXBMFYSA-N 0 1 385.258 3.521 20 5 GHBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC(c2ccncc2)CC1 ZINC000191664874 908656326 /nfs/dbraw/zinc/65/63/26/908656326.db2.gz PZNAGUBJZHZEEG-AWEZNQCLSA-N 0 1 379.420 3.980 20 5 GHBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC(c2ccncc2)CC1 ZINC000191664893 908656675 /nfs/dbraw/zinc/65/66/75/908656675.db2.gz PZNAGUBJZHZEEG-CQSZACIVSA-N 0 1 379.420 3.980 20 5 GHBDMN COc1ccc([C@H](CNC(=O)c2cc(C)cc([N+](=O)[O-])c2)N2CCCCC2)cc1 ZINC000195690635 909032549 /nfs/dbraw/zinc/03/25/49/909032549.db2.gz SGMOPIQOUKUNLX-NRFANRHFSA-N 0 1 397.475 3.869 20 5 GHBDMN C[C@@H](N(C)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O)C(C)(C)C ZINC000795407360 910225149 /nfs/dbraw/zinc/22/51/49/910225149.db2.gz BJZGZBCCEANVBS-SNVBAGLBSA-N 0 1 384.274 3.637 20 5 GHBDMN Cc1[nH]nc(C(=O)N2CCC(Sc3ccc(Cl)cc3)CC2)c1[N+](=O)[O-] ZINC000269716496 910341193 /nfs/dbraw/zinc/34/11/93/910341193.db2.gz SJYLGUVZDKHFJJ-UHFFFAOYSA-N 0 1 380.857 3.677 20 5 GHBDMN Cc1c(C(=O)N2CCC(c3nnc(-c4ccccc4)[nH]3)CC2)cccc1[N+](=O)[O-] ZINC000299688678 921587723 /nfs/dbraw/zinc/58/77/23/921587723.db2.gz UBCKQECBTZZCSY-UHFFFAOYSA-N 0 1 391.431 3.708 20 5 GHBDMN Cc1ccc(-c2n[nH]c(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)c2C)o1 ZINC000774042612 911322182 /nfs/dbraw/zinc/32/21/82/911322182.db2.gz GTBBXZHDRMRFFQ-UHFFFAOYSA-N 0 1 385.336 3.664 20 5 GHBDMN COC[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000901863704 921655034 /nfs/dbraw/zinc/65/50/34/921655034.db2.gz CDZNHPPMPQILMV-IBGZPJMESA-N 0 1 390.461 3.637 20 5 GHBDMN O=[N+]([O-])c1nc[nH]c1-c1nc(-c2cc(F)c(Br)cc2Cl)no1 ZINC001212893026 911368809 /nfs/dbraw/zinc/36/88/09/911368809.db2.gz IZHAZCHNQYYTNP-UHFFFAOYSA-N 0 1 388.540 3.590 20 5 GHBDMN CCS(=O)(=O)c1ccc([C@H](C)NCc2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000283810537 911656313 /nfs/dbraw/zinc/65/63/13/911656313.db2.gz BMXIUJUSPUVUEE-LBPRGKRZSA-N 0 1 382.869 3.893 20 5 GHBDMN O=C([O-])C[C@H]1CSCC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000901982791 921788507 /nfs/dbraw/zinc/78/85/07/921788507.db2.gz GTAIKVVTMFKANC-LBPRGKRZSA-N 0 1 378.475 3.715 20 5 GHBDMN C[N@H+]1CC[C@]2(CCN(C(=O)c3cc(F)cc4c(=O)c5cc(F)ccc5[nH]c34)C2)C1 ZINC000293962527 916498947 /nfs/dbraw/zinc/49/89/47/916498947.db2.gz UAHYBPPINNJKAM-QFIPXVFZSA-N 0 1 397.425 3.540 20 5 GHBDMN CCc1[nH]n(Cc2ccccc2C)c(=O)c1CCNc1ncc([N+](=O)[O-])s1 ZINC000295008871 917091091 /nfs/dbraw/zinc/09/10/91/917091091.db2.gz OZWWTDRBNXTOTQ-AWEZNQCLSA-N 0 1 387.465 3.586 20 5 GHBDMN O=[N+]([O-])c1ccccc1-c1nnc(CN2CCCC[C@H]2[C@H](O)c2ccccc2)o1 ZINC001192116014 918421216 /nfs/dbraw/zinc/42/12/16/918421216.db2.gz KSOHRRIBRZCMID-AZUAARDMSA-N 0 1 394.431 3.733 20 5 GHBDMN CCOc1ccc([C@@H](C)N[C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000011710898 925458874 /nfs/dbraw/zinc/45/88/74/925458874.db2.gz YOHOCFRLMIMKAL-ZIAGYGMSSA-N 0 1 387.436 3.680 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2ncn(CN3CCC(Cc4ccc(F)cc4)CC3)n2)cc1 ZINC000725777935 926435006 /nfs/dbraw/zinc/43/50/06/926435006.db2.gz OBNUJPHENOZZOM-UHFFFAOYSA-N 0 1 395.438 3.905 20 5 GHBDMN O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000749383750 927082189 /nfs/dbraw/zinc/08/21/89/927082189.db2.gz LJHKDONPJFELFB-UHFFFAOYSA-N 0 1 390.403 3.727 20 5 GHBDMN Cc1ccc(CNc2cc(C)nc3ccc([N+](=O)[O-])cc32)c(N2CCOCC2)c1 ZINC000543975859 928639736 /nfs/dbraw/zinc/63/97/36/928639736.db2.gz OLOKDQTUNDGDQU-UHFFFAOYSA-N 0 1 392.459 3.630 20 5 GHBDMN CCOc1ccc([C@H](C)NCc2cccc(S(=O)(=O)CC)c2)cc1[N+](=O)[O-] ZINC000467418595 929051069 /nfs/dbraw/zinc/05/10/69/929051069.db2.gz NVJBHWJIRRSETB-AWEZNQCLSA-N 0 1 392.477 3.638 20 5 GHBDMN C[C@H]1C[C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CN1Cc1ccccc1 ZINC000467697999 929313061 /nfs/dbraw/zinc/31/30/61/929313061.db2.gz ODQWLRKRHNWJOB-WMLDXEAASA-N 0 1 379.416 3.734 20 5 GHBDMN CCCN1Cc2cccc(NS(=O)(=O)c3cc(C)cc([N+](=O)[O-])c3C)c2C1 ZINC000544675668 929426323 /nfs/dbraw/zinc/42/63/23/929426323.db2.gz RIESXMBSPREKIS-UHFFFAOYSA-N 0 1 389.477 3.738 20 5 GHBDMN CC[C@H](C)Oc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)c1 ZINC000469252917 929736984 /nfs/dbraw/zinc/73/69/84/929736984.db2.gz VLDCCWVNGXGCFR-LBPRGKRZSA-N 0 1 380.422 3.582 20 5 GHBDMN CN(C)[C@@H]1CCOc2c(NC(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)cccc21 ZINC000469351134 929811462 /nfs/dbraw/zinc/81/14/62/929811462.db2.gz MOADKQIPTOKOSS-LJQANCHMSA-N 0 1 394.431 3.573 20 5 GHBDMN CN(C)[C@@H]1CCOc2c(NC(=O)c3ccc([N+](=O)[O-])c4cccnc34)cccc21 ZINC000469353121 929813842 /nfs/dbraw/zinc/81/38/42/929813842.db2.gz XOTUOVKSZNTASG-QGZVFWFLSA-N 0 1 392.415 3.781 20 5 GHBDMN O=C(Nc1nc(C2CCC2)n[nH]1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000546150275 929908051 /nfs/dbraw/zinc/90/80/51/929908051.db2.gz BOJQEOIGSCBFLC-UHFFFAOYSA-N 0 1 392.419 3.845 20 5 GHBDMN O=C(Nc1n[nH]c(C2CCC2)n1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000546150275 929908057 /nfs/dbraw/zinc/90/80/57/929908057.db2.gz BOJQEOIGSCBFLC-UHFFFAOYSA-N 0 1 392.419 3.845 20 5 GHBDMN COc1ccc(CN2CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000758779360 930164771 /nfs/dbraw/zinc/16/47/71/930164771.db2.gz IMEGFGUXSDFPHM-GDBMZVCRSA-N 0 1 393.484 3.729 20 5 GHBDMN COc1ccc(CN(CCO)C/C(C)=C/c2cccc([N+](=O)[O-])c2)c(OC)c1 ZINC000470169935 930428168 /nfs/dbraw/zinc/42/81/68/930428168.db2.gz LZQDPVKOFDGOQS-LFIBNONCSA-N 0 1 386.448 3.510 20 5 GHBDMN CC(=O)c1ccc(N(CCN(C)C)Cc2ccc(F)cc2F)c([N+](=O)[O-])c1 ZINC000759697635 930457379 /nfs/dbraw/zinc/45/73/79/930457379.db2.gz CCQIXZZXQRIEKO-UHFFFAOYSA-N 0 1 377.391 3.644 20 5 GHBDMN O=[N+]([O-])c1ccc([C@@H](O)CSc2nc(-c3ccc4c(c3)CCC4)n[nH]2)cc1 ZINC000783657544 931610060 /nfs/dbraw/zinc/61/00/60/931610060.db2.gz YIAGMUBCOIKCSD-KRWDZBQOSA-N 0 1 382.445 3.694 20 5 GHBDMN Cc1nc([C@H](C)Nc2ccc(C(=O)Nc3ccc(C)cc3)cc2[N+](=O)[O-])n[nH]1 ZINC000557762559 931666446 /nfs/dbraw/zinc/66/64/46/931666446.db2.gz KZYOPLAAKLRFCA-LBPRGKRZSA-N 0 1 380.408 3.755 20 5 GHBDMN CC[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2OC)CC[C@H]1NC(=O)OC(C)(C)C ZINC000797519165 932317864 /nfs/dbraw/zinc/31/78/64/932317864.db2.gz XHKSUBVMURXQIP-RHSMWYFYSA-N 0 1 393.484 3.729 20 5 GHBDMN C[C@H](N[C@@H](C)c1ccc(-n2cccn2)c(F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000559339452 932612788 /nfs/dbraw/zinc/61/27/88/932612788.db2.gz LCHNXZIFMXNGJQ-KBPBESRZSA-N 0 1 397.410 3.597 20 5 GHBDMN O=C(c1ccccc1[N+](=O)[O-])N1CCN(CC2CCC(C(F)(F)F)CC2)CC1 ZINC000559449559 932681480 /nfs/dbraw/zinc/68/14/80/932681480.db2.gz ASURVAWXEIGGPF-UHFFFAOYSA-N 0 1 399.413 3.721 20 5 GHBDMN CC(C)(C)OC(=O)NC[C@@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(C)(C)C ZINC000799203180 932914159 /nfs/dbraw/zinc/91/41/59/932914159.db2.gz IEMZNFJVSGLMCS-OAHLLOKOSA-N 0 1 391.472 3.500 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC000799359538 932968631 /nfs/dbraw/zinc/96/86/31/932968631.db2.gz WICSNVMLOHXCQU-OAHLLOKOSA-N 0 1 393.484 3.730 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2ccc(CN3CCC[C@H]([C@H](O)C(F)(F)F)C3)o2)cc1 ZINC000559959519 932981044 /nfs/dbraw/zinc/98/10/44/932981044.db2.gz WPNQKJMTZXXOKJ-GUYCJALGSA-N 0 1 384.354 3.990 20 5 GHBDMN C[C@H](c1ccccc1)[C@H](CO)NCc1ccc([N+](=O)[O-])cc1Br ZINC001116650900 933683652 /nfs/dbraw/zinc/68/36/52/933683652.db2.gz GVVAVNCFCUTFPC-PXAZEXFGSA-N 0 1 379.254 3.612 20 5 GHBDMN COC[C@H](NCc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)[C@@H]1CCCO1 ZINC001116853183 933795053 /nfs/dbraw/zinc/79/50/53/933795053.db2.gz DVYCMIGSTSLJQH-YJBOKZPZSA-N 0 1 380.828 3.792 20 5 GHBDMN C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@H](C(=O)[O-])[C@@H](c2ccc(F)cc2F)C1 ZINC001118324011 934138498 /nfs/dbraw/zinc/13/84/98/934138498.db2.gz KKTUOXVKLIVNFJ-LYRGGWFBSA-N 0 1 376.359 3.734 20 5 GHBDMN C[C@]12CCCN1C[C@H](c1noc(-c3cc4cc([N+](=O)[O-])ccc4s3)n1)OC2 ZINC000561932955 934570460 /nfs/dbraw/zinc/57/04/60/934570460.db2.gz CPTOCQMLPPDGNI-FZKQIMNGSA-N 0 1 386.433 3.785 20 5 GHBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC000931930602 934768043 /nfs/dbraw/zinc/76/80/43/934768043.db2.gz WVCCUOOGOMTTQQ-DAESXHAQSA-N 0 1 376.416 3.979 20 5 GHBDMN CC(C)c1cc([C@@H]2CCCN(C(=O)[C@H]3C[C@@H]3c3cccc([N+](=O)[O-])c3)C2)n[nH]1 ZINC000828775673 935706106 /nfs/dbraw/zinc/70/61/06/935706106.db2.gz KHIFMZJGHBYQSG-NXHRZFHOSA-N 0 1 382.464 3.951 20 5 GHBDMN Cc1cc(Cl)c(S(=O)(=O)Nc2ccc([C@H]3CCOC3)cc2)cc1[N+](=O)[O-] ZINC000830008485 935889542 /nfs/dbraw/zinc/88/95/42/935889542.db2.gz CPNWBEDFZCAEMX-ZDUSSCGKSA-N 0 1 396.852 3.861 20 5 GHBDMN O=C([O-])c1ccc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)cc1 ZINC001595226280 949298624 /nfs/dbraw/zinc/29/86/24/949298624.db2.gz ICNVRKUXHIICAS-WGSAOQKQSA-N 0 1 384.432 3.599 20 5 GHBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2C[C@@H](C)[C@H](CC(=O)[O-])C2)cc1OC ZINC001594963962 982715494 /nfs/dbraw/zinc/71/54/94/982715494.db2.gz AHSYWGWDJAFUQP-RRFJBIMHSA-N 0 1 394.468 3.571 20 5 GHBDMN CC(=Cc1ccc([N+](=O)[O-])cc1)c1nc(Cc2nnc(-c3ccccc3)[nH]2)no1 ZINC000545085777 1015508424 /nfs/dbraw/zinc/50/84/24/1015508424.db2.gz GNSRKWYBWXPZIR-ACCUITESSA-N 0 1 388.387 3.914 20 5 GHBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)CNc1ccc(CCN2CCOCC2)cc1 ZINC000468653724 1015875884 /nfs/dbraw/zinc/87/58/84/1015875884.db2.gz XRLOPUJKFGPRAJ-SDXDJHTJSA-N 0 1 381.476 3.985 20 5 GHBDMN C[C@H](c1ccc(F)c(F)c1)[N@H+](C)Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001593692340 996138568 /nfs/dbraw/zinc/13/85/68/996138568.db2.gz BFBBZLXHMSZBKS-LLVKDONJSA-N 0 1 380.347 3.529 20 5 GHBDMN C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001593692340 996138571 /nfs/dbraw/zinc/13/85/71/996138571.db2.gz BFBBZLXHMSZBKS-LLVKDONJSA-N 0 1 380.347 3.529 20 5 GHBDMN COc1cc(S(=O)(=O)Nc2cccc(OC3CCCC3)c2)ccc1[N+](=O)[O-] ZINC000468888309 1016169552 /nfs/dbraw/zinc/16/95/52/1016169552.db2.gz JCMQKBSEYPCGMR-UHFFFAOYSA-N 0 1 392.433 3.726 20 5 GHBDMN COc1cc(S(=O)(=O)Nc2ccc(SC)c(Cl)c2)ccc1[N+](=O)[O-] ZINC000468957125 1016270824 /nfs/dbraw/zinc/27/08/24/1016270824.db2.gz NARHEGLEEUJSOM-UHFFFAOYSA-N 0 1 388.854 3.780 20 5 GHBDMN Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000469043324 1016365876 /nfs/dbraw/zinc/36/58/76/1016365876.db2.gz NPNVHTVVLFWXSB-LBPRGKRZSA-N 0 1 385.449 3.891 20 5 GHBDMN CN(C)Cc1ccc(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)cc1F ZINC000547257248 1016870888 /nfs/dbraw/zinc/87/08/88/1016870888.db2.gz SDHPQHRVMMGEQQ-UHFFFAOYSA-N 0 1 391.418 3.529 20 5 GHBDMN N[C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)N[C@H]1CCCc2nccnc21 ZINC001220951329 1032204774 /nfs/dbraw/zinc/20/47/74/1032204774.db2.gz XRUBFFZXWBXBMV-GMAHTHKFSA-N 0 1 396.494 3.847 20 5 GHBDMN O=c1nc2ccc([N+](=O)[O-])cc2c(O[C@H]2CC[C@H](OCc3ccccc3)C2)[nH]1 ZINC001227095122 1032267831 /nfs/dbraw/zinc/26/78/31/1032267831.db2.gz NHBHBHUXRGPTFG-HOTGVXAUSA-N 0 1 381.388 3.760 20 5 GHBDMN N[C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)NC[C@@H](CO)c1ccccc1 ZINC001221378427 1032390699 /nfs/dbraw/zinc/39/06/99/1032390699.db2.gz VOJHDOPSWBJEAT-OFVILXPXSA-N 0 1 398.506 3.755 20 5 GHBDMN CC1=C(Oc2ccc3c(c2)oc2c3c(=O)oc3cc(O)ccc23)C(=O)O[C@H]1C ZINC001227518737 1032450922 /nfs/dbraw/zinc/45/09/22/1032450922.db2.gz SVWADIJUVONHSW-JTQLQIEISA-N 0 1 378.336 3.996 20 5 GHBDMN COc1cc(O[C@@H]2CCCN(C(C)C)C2)c2c(c1)oc1c(O)ccc(O)c1c2=O ZINC001227645184 1032499827 /nfs/dbraw/zinc/49/98/27/1032499827.db2.gz FPLUGRCHTCZPAV-CYBMUJFWSA-N 0 1 399.443 3.618 20 5 GHBDMN O=C(CN[C@@H](CCO)c1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000558147720 1017125951 /nfs/dbraw/zinc/12/59/51/1017125951.db2.gz YRGOSMXOVVTRRD-HNNXBMFYSA-N 0 1 398.246 3.553 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000155705088 1019534071 /nfs/dbraw/zinc/53/40/71/1019534071.db2.gz ITXVIZUQZWJVAH-UHFFFAOYSA-N 0 1 398.419 3.805 20 5 GHBDMN COc1ccc(CN2CC[C@H](C)[C@H](CNC(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000835068019 1021847130 /nfs/dbraw/zinc/84/71/30/1021847130.db2.gz CNOIITWXHXRITL-GOEBONIOSA-N 0 1 393.484 3.586 20 5 GHBDMN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000754026343 1022431560 /nfs/dbraw/zinc/43/15/60/1022431560.db2.gz PPJPIAOYBPYNAZ-VDUFWMCCSA-N 0 1 383.448 3.935 20 5 GHBDMN CCN1CCN(c2ccccc2NC(=O)/C(C)=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000754031950 1022434410 /nfs/dbraw/zinc/43/44/10/1022434410.db2.gz XUVPVUCOKJKEBI-MSUUIHNZSA-N 0 1 394.475 3.779 20 5 GHBDMN C[NH+](C)CC[C@H](Oc1[n-]c(C(F)(F)F)cc(=O)c1[N+](=O)[O-])c1ccccc1 ZINC001228858013 1033139763 /nfs/dbraw/zinc/13/97/63/1033139763.db2.gz ARPWLLMLIPWFLN-ZDUSSCGKSA-N 0 1 385.342 3.786 20 5 GHBDMN COC(=O)c1ccc([C@@H](C)Oc2nc(C(F)(F)F)cc(O)c2[N+](=O)[O-])cc1 ZINC001228861835 1033145260 /nfs/dbraw/zinc/14/52/60/1033145260.db2.gz HVKYVWVSPPRPRZ-MRVPVSSYSA-N 0 1 386.282 3.641 20 5 GHBDMN COC(=O)c1c(O[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C)cccc1[N+](=O)[O-] ZINC001229046544 1033247443 /nfs/dbraw/zinc/24/74/43/1033247443.db2.gz SZKAFRIGUFSNES-BEFAXECRSA-N 0 1 384.432 3.671 20 5 GHBDMN CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2oc(CN3CCCC3)nc2c1 ZINC001141467575 1025142570 /nfs/dbraw/zinc/14/25/70/1025142570.db2.gz YTKNBQRRIKWLTM-UHFFFAOYSA-N 0 1 395.419 3.626 20 5 GHBDMN COc1cc(CN2CC[C@H](C)[C@H](CNC(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000839092304 1025589948 /nfs/dbraw/zinc/58/99/48/1025589948.db2.gz QYNXKGCPOUKVPJ-GOEBONIOSA-N 0 1 393.484 3.586 20 5 GHBDMN O=[N+]([O-])c1c(Br)cccc1NCc1nc(-c2ccc(F)cc2)n[nH]1 ZINC001162466816 1025756916 /nfs/dbraw/zinc/75/69/16/1025756916.db2.gz UHKQZDBGBJGDNG-UHFFFAOYSA-N 0 1 392.188 3.894 20 5 GHBDMN O=[N+]([O-])c1c(Br)cccc1NCc1n[nH]c(-c2ccc(F)cc2)n1 ZINC001162466816 1025756925 /nfs/dbraw/zinc/75/69/25/1025756925.db2.gz UHKQZDBGBJGDNG-UHFFFAOYSA-N 0 1 392.188 3.894 20 5 GHBDMN COc1ccccc1[C@H](Nc1c([N+](=O)[O-])cc[n+]([O-])c1Cl)C(F)(F)F ZINC001162899992 1025958751 /nfs/dbraw/zinc/95/87/51/1025958751.db2.gz WPGDHFCCNLKWQL-LBPRGKRZSA-N 0 1 377.706 3.606 20 5 GHBDMN CC[C@H]1CN(CC)CCN1C(=O)Nc1cc([N+](=O)[O-])cc(C(F)(F)F)c1C ZINC001209889651 1027264265 /nfs/dbraw/zinc/26/42/65/1027264265.db2.gz VHRQFWYHMVWONS-LBPRGKRZSA-N 0 1 388.390 3.870 20 5 GHBDMN Cc1cc(C)cc(CCNS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)c1 ZINC001209891817 1027265510 /nfs/dbraw/zinc/26/55/10/1027265510.db2.gz XPWLMRDBKJFFBM-UHFFFAOYSA-N 0 1 386.832 3.525 20 5 GHBDMN CC(C)(C)OC(=O)N1CCC[C@H]1c1cc(Nc2ccc([N+](=O)[O-])nc2)on1 ZINC001203569446 1027440922 /nfs/dbraw/zinc/44/09/22/1027440922.db2.gz FRXBVGXYLKEKFX-ZDUSSCGKSA-N 0 1 375.385 3.793 20 5 GHBDMN Nc1ccc2cc3ccc(Nc4ccc(C(=O)N5CCOCC5)nc4)cc3nc2c1 ZINC001210657295 1027590419 /nfs/dbraw/zinc/59/04/19/1027590419.db2.gz KDPZBICGWHFKAM-UHFFFAOYSA-N 0 1 399.454 3.581 20 5 GHBDMN C[C@@H](NCCS(=O)(=O)C1CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000840881182 1027918878 /nfs/dbraw/zinc/91/88/78/1027918878.db2.gz GYHSFTGVEROQRJ-GFCCVEGCSA-N 0 1 380.491 3.551 20 5 GHBDMN CS(=O)(=O)c1ccc(O)c(Nc2c(Cl)ccc([N+](=O)[O-])c2Cl)c1 ZINC001215582853 1029292729 /nfs/dbraw/zinc/29/27/29/1029292729.db2.gz MGUCOVLATMQWAJ-UHFFFAOYSA-N 0 1 377.205 3.754 20 5 GHBDMN O=C(NC[C@H]1CCCC[N@H+]1C1CC1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC001216140774 1029540385 /nfs/dbraw/zinc/54/03/85/1029540385.db2.gz IGCKIWNYHUYSOO-CYBMUJFWSA-N 0 1 386.374 3.752 20 5 GHBDMN CN1CCN(c2cccc(-c3noc(-c4cc([N+](=O)[O-])ccc4Cl)n3)c2)CC1 ZINC001216493657 1029661233 /nfs/dbraw/zinc/66/12/33/1029661233.db2.gz KYMBNCFAPGRHMC-UHFFFAOYSA-N 0 1 399.838 3.717 20 5 GHBDMN COc1cccc(-c2noc(-c3cc(O)cc([N+](=O)[O-])c3)n2)c1Br ZINC001216924469 1030003848 /nfs/dbraw/zinc/00/38/48/1030003848.db2.gz LYHOQXOXXTYQMC-UHFFFAOYSA-N 0 1 392.165 3.789 20 5 GHBDMN C[C@H](c1ccccn1)N1CCC[C@@H](OCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001224102128 1030883914 /nfs/dbraw/zinc/88/39/14/1030883914.db2.gz WPFCUKPEUOLQMW-RHSMWYFYSA-N 0 1 386.408 3.640 20 5 GHBDMN CCC(=O)c1cc(Br)cc([N+](=O)[O-])c1OC1CCN(CC)CC1 ZINC001229247488 1033367314 /nfs/dbraw/zinc/36/73/14/1033367314.db2.gz PLHLRAJJIUJMEJ-UHFFFAOYSA-N 0 1 385.258 3.813 20 5 GHBDMN Cc1nc(O[C@H](C(=O)c2ccsc2)c2ccsc2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229380820 1033449263 /nfs/dbraw/zinc/44/92/63/1033449263.db2.gz LLPBJQGMKAOPFP-ZDUSSCGKSA-N 0 1 377.403 3.525 20 5 GHBDMN CC(C)(C)OC(=O)N1CC[C@@H]2C[C@H](Oc3cc4[nH]ncc4cc3[N+](=O)[O-])C[C@@H]21 ZINC001230596928 1034139666 /nfs/dbraw/zinc/13/96/66/1034139666.db2.gz XEKBHNPCMKYHER-ZLDLUXBVSA-N 0 1 388.424 3.638 20 5 GHBDMN O=[N+]([O-])c1cccc2ncnc(O[C@H]3CCN(Cc4ccc(Cl)cc4)C3)c21 ZINC001231056023 1034368150 /nfs/dbraw/zinc/36/81/50/1034368150.db2.gz OUDRVRNHJGIXOJ-HNNXBMFYSA-N 0 1 384.823 3.845 20 5 GHBDMN Cc1ncc([N+](=O)[O-])n1C[C@@H](C)Oc1ccccc1C(=O)c1ccccc1O ZINC001231209674 1034464181 /nfs/dbraw/zinc/46/41/81/1034464181.db2.gz CTIAIOZNACMRQN-CYBMUJFWSA-N 0 1 381.388 3.504 20 5 GHBDMN Cc1cnc(N[C@@H]2N=C(c3ccccc3)c3ccccc3NC2=O)c([N+](=O)[O-])c1 ZINC001159527709 1034641368 /nfs/dbraw/zinc/64/13/68/1034641368.db2.gz RCGBYOJMHKMYCX-FQEVSTJZSA-N 0 1 387.399 3.526 20 5 GHBDMN CC(C)(C)OC(=O)N[C@H]1CCN(Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232219854 1035169212 /nfs/dbraw/zinc/16/92/12/1035169212.db2.gz HNIIQZBBWKGLTN-SFHVURJKSA-N 0 1 378.476 3.882 20 5 GHBDMN COc1cccc(CN2CC[C@H](Nc3nc(Cl)c(Cl)cc3[N+](=O)[O-])C2)c1 ZINC001161187955 1035171461 /nfs/dbraw/zinc/17/14/61/1035171461.db2.gz MNDWKRXELLJMIQ-LBPRGKRZSA-N 0 1 397.262 3.992 20 5 GHBDMN O=[N+]([O-])c1ccc(F)cc1Cc1nc(-c2ncccc2/C=C/N2CCCC2)no1 ZINC001248331826 1035760562 /nfs/dbraw/zinc/76/05/62/1035760562.db2.gz CRDVXZSYSFATFJ-YRNVUSSQSA-N 0 1 395.394 3.836 20 5 GHBDMN Cc1ccc([N+](=O)[O-])c(C)c1CN1CCC(Oc2cncc(Cl)n2)CC1 ZINC001462136185 1070023670 /nfs/dbraw/zinc/02/36/70/1070023670.db2.gz XJFLILCMQWEKDD-UHFFFAOYSA-N 0 1 376.844 3.698 20 5 GHBDMN COC(=O)c1cccc2nc(O[C@@H](c3ccc([N+](=O)[O-])cc3)C(F)(F)F)[n-]c21 ZINC001234045749 1039783126 /nfs/dbraw/zinc/78/31/26/1039783126.db2.gz WHXOHGRTLBHFLA-AWEZNQCLSA-N 0 1 395.293 3.940 20 5 GHBDMN COC(=O)c1cccc2nc(O[C@@H](c3ccc([N+](=O)[O-])cc3)C(F)(F)F)[nH]c21 ZINC001234045749 1039783143 /nfs/dbraw/zinc/78/31/43/1039783143.db2.gz WHXOHGRTLBHFLA-AWEZNQCLSA-N 0 1 395.293 3.940 20 5 GHBDMN COC(=O)c1ccc(O[C@H]2[C@@H]3CC[C@H]2C[N@H+](Cc2ccccc2)C3)cc1[N+](=O)[O-] ZINC001234052476 1039786157 /nfs/dbraw/zinc/78/61/57/1039786157.db2.gz TUJMXRXHEOOCIF-LFUKPOHLSA-N 0 1 396.443 3.671 20 5 GHBDMN O=[N+]([O-])c1ccc(N2CCC(NCc3ncccc3Br)CC2)cc1 ZINC001462668220 1070457079 /nfs/dbraw/zinc/45/70/79/1070457079.db2.gz YPOFHFARLVHNMQ-UHFFFAOYSA-N 0 1 391.269 3.511 20 5 GHBDMN CCC1CCC(CNS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CC1 ZINC001462935520 1070673329 /nfs/dbraw/zinc/67/33/29/1070673329.db2.gz INUHZHGGMXJKBT-UHFFFAOYSA-N 0 1 378.853 3.882 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC001298249276 1045751986 /nfs/dbraw/zinc/75/19/86/1045751986.db2.gz RVGOSZQHAJEONI-JTQLQIEISA-N 0 1 388.811 3.966 20 5 GHBDMN Cc1c(Br)c(NCC(C)(C)N2CCC[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC001306953903 1048977096 /nfs/dbraw/zinc/97/70/96/1048977096.db2.gz RCUMMYBHIVECID-LLVKDONJSA-N 0 1 385.306 3.983 20 5 GHBDMN CC(C)[C@H](CO)N(Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)Cc1ccccc1 ZINC001307507689 1049349392 /nfs/dbraw/zinc/34/93/92/1049349392.db2.gz MZJWHSDNMMDGET-IBGZPJMESA-N 0 1 396.447 3.664 20 5 GHBDMN C[C@@H]1CN(c2ccc(Cl)c(F)c2)CCN1CCOc1cccc([N+](=O)[O-])c1 ZINC001307822717 1049617389 /nfs/dbraw/zinc/61/73/89/1049617389.db2.gz YDFGDCDSGOHHBZ-CQSZACIVSA-N 0 1 393.846 3.977 20 5 GHBDMN COc1cccc([C@H](CNC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])N2CCCC2)c1 ZINC001290013077 1049709196 /nfs/dbraw/zinc/70/91/96/1049709196.db2.gz HGMZLRYDJHMWGN-FQEVSTJZSA-N 0 1 397.475 3.787 20 5 GHBDMN O=[N+]([O-])c1ccccc1CN1CCC[C@@H](c2ncc(Br)cn2)C1 ZINC001308076567 1049822809 /nfs/dbraw/zinc/82/28/09/1049822809.db2.gz QUQIJYFNEDBIBC-CYBMUJFWSA-N 0 1 377.242 3.527 20 5 GHBDMN CN(C[C@@H]1CCCCN1CCOc1cccc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC001308083317 1049828433 /nfs/dbraw/zinc/82/84/33/1049828433.db2.gz FKFCOEBDXXOJKU-KRWDZBQOSA-N 0 1 393.484 3.695 20 5 GHBDMN CCS[C@H]1CCCC[C@H]1NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC001309280032 1050550715 /nfs/dbraw/zinc/55/07/15/1050550715.db2.gz KHXLVMBBUJNAJA-NEPJUHHUSA-N 0 1 396.893 3.730 20 5 GHBDMN CCc1ccc(C(=O)N2CCCN(Cc3ccc(C)cc3)CC2)cc1[N+](=O)[O-] ZINC001318868636 1054925086 /nfs/dbraw/zinc/92/50/86/1054925086.db2.gz BXQQFYXSNSFSQF-UHFFFAOYSA-N 0 1 381.476 3.814 20 5 GHBDMN C[C@@H](C(=O)OCc1ccc([N+](=O)[O-])cc1Br)N1[C@H](C)CC[C@H]1C ZINC001320679003 1055926098 /nfs/dbraw/zinc/92/60/98/1055926098.db2.gz ZHRXIKWZVAWRNC-UTUOFQBUSA-N 0 1 385.258 3.662 20 5 GHBDMN CCn1cccc(CNCc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)c1=O ZINC001321396825 1056245200 /nfs/dbraw/zinc/24/52/00/1056245200.db2.gz DPPHZVZAJCCCCA-UHFFFAOYSA-N 0 1 387.823 3.980 20 5 GHBDMN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)OCc1cc(C2CC2)[nH]n1 ZINC000848011271 1056395470 /nfs/dbraw/zinc/39/54/70/1056395470.db2.gz JZVKBRVSPCGBOR-UHFFFAOYSA-N 0 1 380.198 3.623 20 5 GHBDMN COC(=O)COc1ccc(CN[C@@H](C)c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC001324464056 1057141264 /nfs/dbraw/zinc/14/12/64/1057141264.db2.gz HAFOLAKDMFFWBI-NSHDSACASA-N 0 1 396.802 3.790 20 5 GHBDMN Cc1cc([N+](=O)[O-])c(F)c(C(=O)Nc2cccc(O)c2Br)c1F ZINC001449937420 1060486760 /nfs/dbraw/zinc/48/67/60/1060486760.db2.gz LHUFBVDHVHNYRY-UHFFFAOYSA-N 0 1 387.136 3.902 20 5 GHBDMN COc1ccc(Cc2nc3ccc(NC(=O)c4ccc([N+](=O)[O-])o4)cc3[nH]2)cc1 ZINC001455204311 1062048161 /nfs/dbraw/zinc/04/81/61/1062048161.db2.gz BSVDWYIQHZBTQJ-UHFFFAOYSA-N 0 1 392.371 3.916 20 5 GHBDMN CC[C@@H](CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)Oc1cccc(Cl)c1 ZINC001435454270 1062626133 /nfs/dbraw/zinc/62/61/33/1062626133.db2.gz GAOOGYNFNQCXFB-ZDUSSCGKSA-N 0 1 388.811 3.712 20 5 GHBDMN CCOc1ccc(C(=O)Nc2n[nH]c3nc(C(F)(F)F)ccc23)cc1[N+](=O)[O-] ZINC001457221165 1063039465 /nfs/dbraw/zinc/03/94/65/1063039465.db2.gz KRYDJMOQCCWAEB-UHFFFAOYSA-N 0 1 395.297 3.536 20 5 GHBDMN O=C(Nc1ccc(-c2nnc[nH]2)cc1F)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001436088515 1063173636 /nfs/dbraw/zinc/17/36/36/1063173636.db2.gz KGYZFWZWWFRXCP-UHFFFAOYSA-N 0 1 395.272 3.790 20 5 GHBDMN C[C@H]1CN(CCCNc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C[C@H](C)O1 ZINC001458087934 1063556550 /nfs/dbraw/zinc/55/65/50/1063556550.db2.gz YYAKENDFSCCHRJ-GJZGRUSLSA-N 0 1 388.443 3.707 20 5 GHBDMN Cc1cc(C(=O)N2CCN(Cc3ccccc3)[C@@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC001437725402 1063922324 /nfs/dbraw/zinc/92/23/24/1063922324.db2.gz HBOZKIXZEBBABL-OAQYLSRUSA-N 0 1 381.476 3.886 20 5 GHBDMN O=[N+]([O-])c1cc(Br)ccc1CSc1nc(-c2cccnc2)n[nH]1 ZINC001458917040 1063961370 /nfs/dbraw/zinc/96/13/70/1063961370.db2.gz JVCCSOCWJBLDLJ-UHFFFAOYSA-N 0 1 392.238 3.830 20 5 GHBDMN CC[C@@H]1CN([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC001459915281 1064269165 /nfs/dbraw/zinc/26/91/65/1064269165.db2.gz DYZMQGZKBVMFFG-IEBWSBKVSA-N 0 1 396.491 3.518 20 5 GHBDMN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(CC2CCCCC2)CC1 ZINC001351738423 1064582319 /nfs/dbraw/zinc/58/23/19/1064582319.db2.gz NVEGPKMUHMEJHX-MRXNPFEDSA-N 0 1 391.537 3.800 20 5 GHBDMN CC(C)c1nc(CNC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)n[nH]1 ZINC001465625565 1065754381 /nfs/dbraw/zinc/75/43/81/1065754381.db2.gz OPFPZRQTETUDNE-UHFFFAOYSA-N 0 1 396.407 3.950 20 5 GHBDMN O=[N+]([O-])c1cnn(CCN2CCCC[C@@H]2Cc2cccc(Br)c2)c1 ZINC001460288395 1068908409 /nfs/dbraw/zinc/90/84/09/1068908409.db2.gz YWMARNSDDWQRRL-MRXNPFEDSA-N 0 1 393.285 3.651 20 5 GHBDMN CC1(C)CCC[C@H]1[C@H]1CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001460299087 1068913342 /nfs/dbraw/zinc/91/33/42/1068913342.db2.gz RHKIZIPENAERAG-YJBOKZPZSA-N 0 1 380.510 3.517 20 5 GHBDMN C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)[C@@H](C)N1Cc1cc(O)ccc1[N+](=O)[O-] ZINC001460302499 1068914869 /nfs/dbraw/zinc/91/48/69/1068914869.db2.gz ZKHLBGDWIGSTJI-MGPQQGTHSA-N 0 1 379.457 3.519 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(CN[C@@H]2CCOC23CCCCC3)o1 ZINC001460892297 1069258251 /nfs/dbraw/zinc/25/82/51/1069258251.db2.gz VVBUECNKGZOIJY-OAHLLOKOSA-N 0 1 392.843 3.880 20 5 GHBDMN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCc2nc[nH]c2[C@@H]1c1ccccc1 ZINC001471035232 1072894389 /nfs/dbraw/zinc/89/43/89/1072894389.db2.gz KKKDIBXGSHHVDV-FQEVSTJZSA-N 0 1 376.416 3.723 20 5 GHBDMN Cc1cc([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2Br)n[nH]1 ZINC001472105070 1073336587 /nfs/dbraw/zinc/33/65/87/1073336587.db2.gz ZRABCULNMFFNKE-HNNXBMFYSA-N 0 1 393.241 3.756 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)c2ncnc(NCCc3nc4ccc(F)cc4[nH]3)c2c1 ZINC001472717455 1073633587 /nfs/dbraw/zinc/63/35/87/1073633587.db2.gz FNRQDEPFMCITLW-UHFFFAOYSA-N 0 1 386.774 3.861 20 5 GHBDMN C[C@@H](NC(=O)N1C[C@@H](C)N(Cc2ccccc2)C[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC001479212937 1079155661 /nfs/dbraw/zinc/15/56/61/1079155661.db2.gz NZWTZOQNPOTKJR-FGTMMUONSA-N 0 1 396.491 3.960 20 5 GHBDMN C[C@H]1CN(c2cccc(Cl)c2)CCN1CCOc1cccc([N+](=O)[O-])c1 ZINC001473493415 1073987949 /nfs/dbraw/zinc/98/79/49/1073987949.db2.gz BLFFAYSZUVYARU-HNNXBMFYSA-N 0 1 375.856 3.838 20 5 GHBDMN CC(C)(C)OC(=O)[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1C1CC1 ZINC001473780699 1074139394 /nfs/dbraw/zinc/13/93/94/1074139394.db2.gz LPUPFUMAPJIBAX-LSDHHAIUSA-N 0 1 387.436 3.536 20 5 GHBDMN O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@H]1Cc1ccc(Br)cc1 ZINC001473843323 1074170218 /nfs/dbraw/zinc/17/02/18/1074170218.db2.gz BGFXPPLSHGYOOI-INIZCTEOSA-N 0 1 376.254 3.959 20 5 GHBDMN CCOC(=O)[C@@H]1[C@H](C)C[C@@H](C)[N@@H+](Cc2ccc([N+](=O)[O-])c(OCC)c2)[C@@H]1C ZINC001473880799 1074189150 /nfs/dbraw/zinc/18/91/50/1074189150.db2.gz BXPWLBMOKTXQHQ-DEXNDLTESA-N 0 1 378.469 3.792 20 5 GHBDMN O=[N+]([O-])c1cccc(Br)c1CNCCN1CCCc2ccccc21 ZINC001473962440 1074219511 /nfs/dbraw/zinc/21/95/11/1074219511.db2.gz HYVZFZKUFLKKCB-UHFFFAOYSA-N 0 1 390.281 3.900 20 5 GHBDMN COC(=O)c1cc(C2CCN(C/C(C)=C/c3cccc([N+](=O)[O-])c3)CC2)no1 ZINC001474679616 1074510745 /nfs/dbraw/zinc/51/07/45/1074510745.db2.gz JJISFOOIYDBWGZ-GXDHUFHOSA-N 0 1 385.420 3.652 20 5 GHBDMN CCCOc1cc(C)ccc1CNS(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC001475070779 1074723216 /nfs/dbraw/zinc/72/32/16/1074723216.db2.gz SUPCKROIHBXUCC-UHFFFAOYSA-N 0 1 384.479 3.540 20 5 GHBDMN C[C@@](CO)(Cc1ccc(F)cc1)NCc1c(Br)cccc1[N+](=O)[O-] ZINC001560182374 1126208311 /nfs/dbraw/zinc/20/83/11/1126208311.db2.gz CLMONSUAXIIAAL-KRWDZBQOSA-N 0 1 397.244 3.580 20 5 GHBDMN COc1ccccc1C[C@@](C)(CO)NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001620536982 1126240919 /nfs/dbraw/zinc/24/09/19/1126240919.db2.gz JRGMWMHQBYIHAH-SFHVURJKSA-N 0 1 399.274 3.994 20 5 GHBDMN Cc1ccc(C[C@@H](CO)NCc2c(Br)cccc2[N+](=O)[O-])cc1C ZINC001662582278 1126265695 /nfs/dbraw/zinc/26/56/95/1126265695.db2.gz LSIDBAZUJGONTD-HNNXBMFYSA-N 0 1 393.281 3.667 20 5 GHBDMN C[C@@H](NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736136964 598355966 /nfs/dbraw/zinc/35/59/66/598355966.db2.gz VCMGAHDGZIHYRF-CYBMUJFWSA-N 0 1 390.403 3.886 20 5 GHBDMN CC(C)(C(=O)[O-])[C@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccccc1 ZINC000833413910 605182857 /nfs/dbraw/zinc/18/28/57/605182857.db2.gz JRSQEEQSCZDRIM-QGZVFWFLSA-N 0 1 396.403 3.587 20 5 GHBDMN CC(C)N(C)Cc1cnc2n1CCN(c1ccc3cccc([N+](=O)[O-])c3n1)[C@H]2C ZINC001164862537 720956146 /nfs/dbraw/zinc/95/61/46/720956146.db2.gz VZOLVKRUOUIPLK-HNNXBMFYSA-N 0 1 394.479 3.761 20 5 GHBDMN O=[N+]([O-])c1cc(N2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)nc2[nH]ccc21 ZINC001164994044 722205221 /nfs/dbraw/zinc/20/52/21/722205221.db2.gz DSURNBNXTCQHFZ-OAQYLSRUSA-N 0 1 395.438 3.855 20 5 GHBDMN CCOc1cccc([C@@H](C)N[C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c1 ZINC000180705175 837485551 /nfs/dbraw/zinc/48/55/51/837485551.db2.gz OBIPVIMMHYGXMR-ZIAGYGMSSA-N 0 1 387.436 3.680 20 5 GHBDMN Cc1cc(N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000581729212 837568722 /nfs/dbraw/zinc/56/87/22/837568722.db2.gz NMZYQVJSAMEKAX-JKSUJKDBSA-N 0 1 375.469 3.692 20 5 GHBDMN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)Nc1cc(F)c(F)cc1Cl ZINC000176728592 837726586 /nfs/dbraw/zinc/72/65/86/837726586.db2.gz VBUVUOCQVFEXTN-UHFFFAOYSA-N 0 1 383.159 3.981 20 5 GHBDMN COc1cc(Cl)c(C)cc1NC(=O)CCNCc1ccccc1[N+](=O)[O-] ZINC000176761637 837734884 /nfs/dbraw/zinc/73/48/84/837734884.db2.gz XSTPHWKZTGDARS-UHFFFAOYSA-N 0 1 377.828 3.684 20 5 GHBDMN CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@](C)(C(=O)[O-])C2)cc1OC ZINC000583817189 835084090 /nfs/dbraw/zinc/08/40/90/835084090.db2.gz BAQPNNXCEBQOSO-VLIAUNLRSA-N 0 1 394.468 3.715 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C)c1cccc(OC(F)F)c1 ZINC000179585984 835887182 /nfs/dbraw/zinc/88/71/82/835887182.db2.gz ALACDJDCNOCJST-LBPRGKRZSA-N 0 1 379.363 3.794 20 5 GHBDMN CCCc1[nH]nc(C(=O)N2CCC(c3nc4cccc(C)c4o3)CC2)c1[N+](=O)[O-] ZINC000188515713 836059824 /nfs/dbraw/zinc/05/98/24/836059824.db2.gz AYSASBMNGQHRHU-UHFFFAOYSA-N 0 1 397.435 3.740 20 5 GHBDMN O=C(c1cc2ccccc2c2cccnc12)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000625181135 836092908 /nfs/dbraw/zinc/09/29/08/836092908.db2.gz DPSRCXAUECSJHG-IBGZPJMESA-N 0 1 389.499 3.715 20 5 GHBDMN Cc1ccc2nc([C@H]3CCCN3CC(=O)Nc3ccccc3[N+](=O)[O-])[nH]c2c1 ZINC000582208249 836249330 /nfs/dbraw/zinc/24/93/30/836249330.db2.gz NJUFTSCACBPDFH-GOSISDBHSA-N 0 1 379.420 3.555 20 5 GHBDMN O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1NCc1nccc(C(F)(F)F)n1 ZINC000414235879 836673569 /nfs/dbraw/zinc/67/35/69/836673569.db2.gz HNWWKKUEJOVCGY-GXTWGEPZSA-N 0 1 380.370 3.905 20 5 GHBDMN Cc1cc(NC(=O)CN[C@@H](C)c2cccc([N+](=O)[O-])c2)n(-c2ccc(F)cc2)n1 ZINC000180417750 837224766 /nfs/dbraw/zinc/22/47/66/837224766.db2.gz VCWOUZHHMRXEDA-AWEZNQCLSA-N 0 1 397.410 3.517 20 5 GHBDMN C[C@H](NCC(=O)N[C@H](c1nccs1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180459212 837282146 /nfs/dbraw/zinc/28/21/46/837282146.db2.gz VRGZLECOVFIFNT-LIRRHRJNSA-N 0 1 396.472 3.608 20 5 GHBDMN O=[N+]([O-])c1cc(CN2CCC(c3nc4ccccc4[nH]3)CC2)c2c(c1)COCO2 ZINC000109765341 837842538 /nfs/dbraw/zinc/84/25/38/837842538.db2.gz HXGIYJPKPMIEGX-UHFFFAOYSA-N 0 1 394.431 3.717 20 5 GHBDMN Cc1cccc(C[C@H](CO)NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000189004030 838053836 /nfs/dbraw/zinc/05/38/36/838053836.db2.gz SQFYWJSQHJOJSI-QGZVFWFLSA-N 0 1 383.473 3.720 20 5 GHBDMN CC[C@H](C)c1nc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)n[nH]1 ZINC000412281510 838128736 /nfs/dbraw/zinc/12/87/36/838128736.db2.gz FYOVZTNCAOZOLZ-RYUDHWBXSA-N 0 1 375.429 3.505 20 5 GHBDMN O=C(Nc1n[nH]c(-c2cccc(C(F)(F)F)c2)n1)c1ccc([N+](=O)[O-])s1 ZINC000490583166 844313274 /nfs/dbraw/zinc/31/32/74/844313274.db2.gz GXKCXVXHUSDXSO-UHFFFAOYSA-N 0 1 383.311 3.713 20 5 GHBDMN Cc1ccc2nc([C@H]3CCCN(C(=O)COc4cccc([N+](=O)[O-])c4)C3)[nH]c2c1 ZINC000120212977 838805506 /nfs/dbraw/zinc/80/55/06/838805506.db2.gz CRECUEDCYACJBB-HNNXBMFYSA-N 0 1 394.431 3.565 20 5 GHBDMN COc1cc(CNCc2cc(C)cc(N)c2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000414966592 839020951 /nfs/dbraw/zinc/02/09/51/839020951.db2.gz OQRKGICZXXQBBT-UHFFFAOYSA-N 0 1 399.369 3.725 20 5 GHBDMN COC(=O)c1ccc(S(=O)(=O)Nc2c(C)cccc2C(C)C)cc1[N+](=O)[O-] ZINC000416416916 839185839 /nfs/dbraw/zinc/18/58/39/839185839.db2.gz MCPCVRZBLVWPQC-UHFFFAOYSA-N 0 1 392.433 3.614 20 5 GHBDMN CCOc1ccc(NC(=O)CN[C@H](C)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000025397588 844411737 /nfs/dbraw/zinc/41/17/37/844411737.db2.gz ZDRCJODEOGIQLI-GFCCVEGCSA-N 0 1 377.828 3.936 20 5 GHBDMN Cc1ccc([C@H](C)NCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc1 ZINC000182319316 844424836 /nfs/dbraw/zinc/42/48/36/844424836.db2.gz GWUDVEDLOBLXEU-LBPRGKRZSA-N 0 1 392.253 3.955 20 5 GHBDMN CCC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2OC)CCN1Cc1ccccc1 ZINC001266608740 839484188 /nfs/dbraw/zinc/48/41/88/839484188.db2.gz OGUYXCQUSZNLFF-IBGZPJMESA-N 0 1 397.475 3.730 20 5 GHBDMN Nc1c(C(=O)N[C@@H](c2ccccc2)c2ccc3nc[nH]c3c2)cccc1[N+](=O)[O-] ZINC000175865361 840250325 /nfs/dbraw/zinc/25/03/25/840250325.db2.gz HEIPSJGGVJDAEO-FQEVSTJZSA-N 0 1 387.399 3.573 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCC(=O)Nc1ccc(Br)cc1 ZINC000610805075 844561298 /nfs/dbraw/zinc/56/12/98/844561298.db2.gz KXWGHORABRUEDB-GFCCVEGCSA-N 0 1 392.253 3.955 20 5 GHBDMN CCS(=O)(=O)c1ccc(CN[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000417316237 840700102 /nfs/dbraw/zinc/70/01/02/840700102.db2.gz DZJIATSREHREJQ-FQEVSTJZSA-N 0 1 388.489 3.946 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(Br)cc2nc[nH]c21 ZINC000500000721 841240873 /nfs/dbraw/zinc/24/08/73/841240873.db2.gz NQJYMKFVZZCUND-UHFFFAOYSA-N 0 1 375.182 3.794 20 5 GHBDMN COc1ccc(NC(=O)CN[C@@H](C)c2ccc(SC)cc2)c([N+](=O)[O-])c1 ZINC000500232982 841689981 /nfs/dbraw/zinc/68/99/81/841689981.db2.gz PTBPDJNUHOPKCK-LBPRGKRZSA-N 0 1 375.450 3.615 20 5 GHBDMN Cc1cc(N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302202112 861238986 /nfs/dbraw/zinc/23/89/86/861238986.db2.gz VQGTYYZQQCXOEL-HNNXBMFYSA-N 0 1 396.491 3.926 20 5 GHBDMN C[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1cccc(C(F)(F)F)c1 ZINC000028063525 861248181 /nfs/dbraw/zinc/24/81/81/861248181.db2.gz BGHKTZCPPXPVDH-VIFPVBQESA-N 0 1 378.310 3.981 20 5 GHBDMN COc1ccccc1CN(CCOc1ccccc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000603848101 861267919 /nfs/dbraw/zinc/26/79/19/861267919.db2.gz LHZZGQSZIFSAND-GOSISDBHSA-N 0 1 386.448 3.663 20 5 GHBDMN Cc1ccc([C@H](C)NC(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)cc1[N+](=O)[O-] ZINC000175926438 842108601 /nfs/dbraw/zinc/10/86/01/842108601.db2.gz IBWQZOIKKYEJHC-LIRRHRJNSA-N 0 1 388.443 3.705 20 5 GHBDMN C[C@@H](NCC(=O)Nc1ccccc1Br)c1cccc([N+](=O)[O-])c1 ZINC000182022339 842278439 /nfs/dbraw/zinc/27/84/39/842278439.db2.gz QZCFLKINDJGQGS-LLVKDONJSA-N 0 1 378.226 3.647 20 5 GHBDMN C[C@@H]1CN(CC(C)(C)O)CCN1c1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000302547324 861299918 /nfs/dbraw/zinc/29/99/18/861299918.db2.gz PGTPPDFHXBVKFP-SNVBAGLBSA-N 0 1 395.809 3.548 20 5 GHBDMN CC[C@@H](C)NC(=O)[C@H](C)NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000101596000 842627976 /nfs/dbraw/zinc/62/79/76/842627976.db2.gz JGTOOJIRTQFXFE-KGLIPLIRSA-N 0 1 389.427 3.919 20 5 GHBDMN Cc1ccc(CN(C)C[C@@H](O)COc2ccccc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000510628842 843088147 /nfs/dbraw/zinc/08/81/47/843088147.db2.gz JGMDDBKMXWZYNT-OAHLLOKOSA-N 0 1 398.381 3.794 20 5 GHBDMN Cc1ccc(CN[C@H]2CCCN([C@H](C)c3ccccc3F)C2=O)cc1[N+](=O)[O-] ZINC000555607341 861400253 /nfs/dbraw/zinc/40/02/53/861400253.db2.gz YXXXBRFXKBVNCN-BEFAXECRSA-N 0 1 385.439 3.884 20 5 GHBDMN COc1cc(C)c([C@@H](C)N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC ZINC000056154198 861437095 /nfs/dbraw/zinc/43/70/95/861437095.db2.gz PKSNFXMQMJDSMZ-KGLIPLIRSA-N 0 1 387.436 3.598 20 5 GHBDMN O=C(CN(C[C@H]1CCCO1)C1CCCC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000302997243 861446624 /nfs/dbraw/zinc/44/66/24/861446624.db2.gz GUNBDBVBBSQHBN-OAHLLOKOSA-N 0 1 381.860 3.610 20 5 GHBDMN Cc1ccc(NC(=O)NC(=O)[C@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000056195803 861451919 /nfs/dbraw/zinc/45/19/19/861451919.db2.gz LNKIGDUGZLRVCU-CABCVRRESA-N 0 1 384.436 3.599 20 5 GHBDMN CCN(CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)c1ccco1 ZINC000128846681 843839298 /nfs/dbraw/zinc/83/92/98/843839298.db2.gz MUIAKSBXPDLZTM-KRWDZBQOSA-N 0 1 382.420 3.549 20 5 GHBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000538153588 844854286 /nfs/dbraw/zinc/85/42/86/844854286.db2.gz XCMRYZQIIVRJHM-AWEZNQCLSA-N 0 1 396.447 3.541 20 5 GHBDMN COc1cc(CN[C@H](C)c2ccc3n[nH]cc3c2)c([N+](=O)[O-])cc1OC(F)F ZINC000513174618 845010524 /nfs/dbraw/zinc/01/05/24/845010524.db2.gz WPNARZRSSLGKBL-SNVBAGLBSA-N 0 1 392.362 3.932 20 5 GHBDMN CC1(C)C[C@H](N[C@H]2CCN(Cc3ccc(F)cc3)C2=O)c2cc([N+](=O)[O-])ccc21 ZINC000433062353 845107184 /nfs/dbraw/zinc/10/71/84/845107184.db2.gz OFXTVTCEVCKEHZ-PMACEKPBSA-N 0 1 397.450 3.847 20 5 GHBDMN COc1ccccc1[C@H]1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000158022058 846364008 /nfs/dbraw/zinc/36/40/08/846364008.db2.gz OJPLHVJHEXSDNM-HNNXBMFYSA-N 0 1 380.404 3.643 20 5 GHBDMN CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000548692824 846484706 /nfs/dbraw/zinc/48/47/06/846484706.db2.gz DRQUHUCUWSUVBR-OAHLLOKOSA-N 0 1 399.441 3.564 20 5 GHBDMN CCN1CCCC[C@@H]1CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000548692824 846484709 /nfs/dbraw/zinc/48/47/09/846484709.db2.gz DRQUHUCUWSUVBR-OAHLLOKOSA-N 0 1 399.441 3.564 20 5 GHBDMN C[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000501616977 847060271 /nfs/dbraw/zinc/06/02/71/847060271.db2.gz LKMPUOQEPJBJJO-JKSUJKDBSA-N 0 1 392.459 3.811 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1 ZINC000277573903 847060752 /nfs/dbraw/zinc/06/07/52/847060752.db2.gz LKNNLNPQENDJNA-INIZCTEOSA-N 0 1 382.376 3.584 20 5 GHBDMN CC(C)(NC(=O)c1ccc(Nc2ccncc2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000431423044 847383544 /nfs/dbraw/zinc/38/35/44/847383544.db2.gz SLCCRENCWYDONI-UHFFFAOYSA-N 0 1 376.416 3.820 20 5 GHBDMN C[C@@H]1C[C@@]1(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000503364056 847642070 /nfs/dbraw/zinc/64/20/70/847642070.db2.gz CMNUELOENTXZLI-ACJLOTCBSA-N 0 1 394.880 3.547 20 5 GHBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC(c2ccccn2)CC1 ZINC000366795935 847786443 /nfs/dbraw/zinc/78/64/43/847786443.db2.gz HWDFPKPVOUNSJV-CQSZACIVSA-N 0 1 379.420 3.980 20 5 GHBDMN O=[N+]([O-])c1ccc2ncnc(N3CCC[C@@H]3c3n[nH]c(-c4ccccc4)n3)c2c1 ZINC000611712139 848230954 /nfs/dbraw/zinc/23/09/54/848230954.db2.gz GRVOJSZLYFQLFR-QGZVFWFLSA-N 0 1 387.403 3.665 20 5 GHBDMN O=[N+]([O-])c1ccc2ncnc(N3CCC[C@@H]3c3nc(-c4ccccc4)n[nH]3)c2c1 ZINC000611712139 848230960 /nfs/dbraw/zinc/23/09/60/848230960.db2.gz GRVOJSZLYFQLFR-QGZVFWFLSA-N 0 1 387.403 3.665 20 5 GHBDMN Cc1ccc(NC(=O)NC(=O)[C@@H](C)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(C)c1 ZINC000178689841 848549226 /nfs/dbraw/zinc/54/92/26/848549226.db2.gz NSJVBTGHJSVLRI-JKSUJKDBSA-N 0 1 398.463 3.907 20 5 GHBDMN CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@H](CN(CC)CC(F)(F)F)C1 ZINC000176398627 849079357 /nfs/dbraw/zinc/07/93/57/849079357.db2.gz YFMWHGJQZBIWIA-CQSZACIVSA-N 0 1 389.418 3.700 20 5 GHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Br)s1 ZINC000185952429 862013178 /nfs/dbraw/zinc/01/31/78/862013178.db2.gz MRXLKDJCPLAHTM-UHFFFAOYSA-N 0 1 397.659 3.873 20 5 GHBDMN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2c(F)cccc2N2CCCC2)cc1C ZINC000110122424 849514394 /nfs/dbraw/zinc/51/43/94/849514394.db2.gz NGOOXQXOBJFUNC-UHFFFAOYSA-N 0 1 393.440 3.752 20 5 GHBDMN COc1ccc(OCCN2CCC[C@@]3(C2)OCc2ccccc23)c([N+](=O)[O-])c1 ZINC000481697650 862091209 /nfs/dbraw/zinc/09/12/09/862091209.db2.gz XOFRFGDQBATWDI-NRFANRHFSA-N 0 1 384.432 3.504 20 5 GHBDMN CC[C@H](C)c1nc([C@H](C)Nc2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)n[nH]1 ZINC000486797510 850107432 /nfs/dbraw/zinc/10/74/32/850107432.db2.gz MJXDXBNJILNMHJ-AAEUAGOBSA-N 0 1 381.440 3.587 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2ncn(CN3CC[C@H](c4ccc(Cl)cc4)C3)n2)c1 ZINC000732186549 862128903 /nfs/dbraw/zinc/12/89/03/862128903.db2.gz JQTDNRMODHMZLF-INIZCTEOSA-N 0 1 383.839 3.954 20 5 GHBDMN COCCOc1cccc(CNCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 ZINC000487199505 850555710 /nfs/dbraw/zinc/55/57/10/850555710.db2.gz HKQARQFSUPUCPN-UHFFFAOYSA-N 0 1 384.354 3.929 20 5 GHBDMN Cc1c(CC(=O)Nc2nc3c(s2)CN(C(C)(C)C)CC3)cccc1[N+](=O)[O-] ZINC000425074450 851035117 /nfs/dbraw/zinc/03/51/17/851035117.db2.gz CADZSDPJRRBGOH-UHFFFAOYSA-N 0 1 388.493 3.698 20 5 GHBDMN Cc1cc(N2CCC[N@@H+](CC3CCCCC3)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000910343748 851139144 /nfs/dbraw/zinc/13/91/44/851139144.db2.gz FYZYBWUIDIYQGI-UHFFFAOYSA-N 0 1 375.469 3.694 20 5 GHBDMN Cc1c(CN(CCO)Cc2cccc(Br)c2)cccc1[N+](=O)[O-] ZINC000488191655 851240244 /nfs/dbraw/zinc/24/02/44/851240244.db2.gz VSKHIBMKWNLCCW-UHFFFAOYSA-N 0 1 379.254 3.660 20 5 GHBDMN O=[N+]([O-])c1ccccc1/C=C\CN(CCO)Cc1cccc(Br)c1 ZINC000488385862 851452075 /nfs/dbraw/zinc/45/20/75/851452075.db2.gz KPOGMCCEAYWCPY-DAXSKMNVSA-N 0 1 391.265 3.865 20 5 GHBDMN Cc1ccc(CN(CCO)Cc2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000488391473 851455733 /nfs/dbraw/zinc/45/57/33/851455733.db2.gz ALZOZKDVZBBWOQ-UHFFFAOYSA-N 0 1 379.254 3.660 20 5 GHBDMN CC(C)CCN1Cc2cccc(NC(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)c2C1 ZINC000488916476 851861148 /nfs/dbraw/zinc/86/11/48/851861148.db2.gz MLAXTLYUSWOHOM-UHFFFAOYSA-N 0 1 397.431 3.938 20 5 GHBDMN CCc1cccc2c(C3CCN(C(=O)c4n[nH]c(C)c4[N+](=O)[O-])CC3)c[nH]c21 ZINC000604546802 862296088 /nfs/dbraw/zinc/29/60/88/862296088.db2.gz FLCTUQFWILNZEG-UHFFFAOYSA-N 0 1 381.436 3.690 20 5 GHBDMN O=C(CNC1(c2ccc(F)cc2)CCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000604564817 862303917 /nfs/dbraw/zinc/30/39/17/862303917.db2.gz NSFSFDKQWNBHOC-UHFFFAOYSA-N 0 1 377.803 3.995 20 5 GHBDMN COc1ccccc1[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1C)N1CCCC1 ZINC000163170448 862308599 /nfs/dbraw/zinc/30/85/99/862308599.db2.gz LECRYRDDUGCQLM-IBGZPJMESA-N 0 1 398.463 3.870 20 5 GHBDMN O=C(N[C@H]1CCCc2cc(OC(F)F)ccc21)c1cc(O)cc([N+](=O)[O-])c1 ZINC000506189743 852138034 /nfs/dbraw/zinc/13/80/34/852138034.db2.gz MUOBUMWYSMGQEK-INIZCTEOSA-N 0 1 378.331 3.709 20 5 GHBDMN CN(CCOc1ccccc1[N+](=O)[O-])[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000517626249 852167815 /nfs/dbraw/zinc/16/78/15/852167815.db2.gz YKXTZOAFIDOTHA-SJLPKXTDSA-N 0 1 397.258 3.871 20 5 GHBDMN O=C(Nc1nnc(-c2ccccc2Cl)s1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000506200524 852209130 /nfs/dbraw/zinc/20/91/30/852209130.db2.gz YALNCOQPIUUFOH-UHFFFAOYSA-N 0 1 376.781 3.725 20 5 GHBDMN C[C@H](NC(=O)c1n[nH]c2ccc(Br)cc21)c1cccc([N+](=O)[O-])c1 ZINC000517661300 852233496 /nfs/dbraw/zinc/23/34/96/852233496.db2.gz UPUZMKWGDNHQRE-VIFPVBQESA-N 0 1 389.209 3.725 20 5 GHBDMN CCN(C(=O)c1ccc([N+](=O)[O-])cc1[O-])[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000436960514 852532599 /nfs/dbraw/zinc/53/25/99/852532599.db2.gz QVAUZSIPALXBCW-CRAIPNDOSA-N 0 1 383.448 3.598 20 5 GHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N(Cc1csc(Br)c1)C1CC1 ZINC000507309708 852770496 /nfs/dbraw/zinc/77/04/96/852770496.db2.gz ADGRZLWAZXLOHW-UHFFFAOYSA-N 0 1 397.250 3.929 20 5 GHBDMN C[C@@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000506361197 852842803 /nfs/dbraw/zinc/84/28/03/852842803.db2.gz HEGXSSXIBZXAKN-PIGZYNQJSA-N 0 1 376.796 3.556 20 5 GHBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)[C@H]1C[C@H]1c1cccc(Cl)c1 ZINC000490342961 852948626 /nfs/dbraw/zinc/94/86/26/852948626.db2.gz IZFCGPTXWZSZIR-GJZGRUSLSA-N 0 1 383.795 3.776 20 5 GHBDMN CCSc1ccc([C@H](C)NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC000507483913 852965396 /nfs/dbraw/zinc/96/53/96/852965396.db2.gz ILEGKAJYKAQPLG-NSHDSACASA-N 0 1 384.454 3.885 20 5 GHBDMN Cc1cc(C(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)n[nH]2)ccc1[N+](=O)[O-] ZINC000490608024 853134467 /nfs/dbraw/zinc/13/44/67/853134467.db2.gz MFGDWUCGURXVOK-UHFFFAOYSA-N 0 1 391.309 3.959 20 5 GHBDMN Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000437476788 853179978 /nfs/dbraw/zinc/17/99/78/853179978.db2.gz FSFFCPDFSXUCCS-QRWLVFNGSA-N 0 1 394.431 3.677 20 5 GHBDMN CC(C)c1nn(-c2ccccc2)c(Cl)c1CNCCn1cc([N+](=O)[O-])cn1 ZINC000151290114 853268828 /nfs/dbraw/zinc/26/88/28/853268828.db2.gz WJBKVWAZEMCXCQ-UHFFFAOYSA-N 0 1 388.859 3.544 20 5 GHBDMN C[C@@H](N[C@@H](C)c1ccc(OC(F)F)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000044802821 853846548 /nfs/dbraw/zinc/84/65/48/853846548.db2.gz XSPPTFQTSIYDHG-NWDGAFQWSA-N 0 1 379.363 3.874 20 5 GHBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN(C)C[C@H]2CCCO[C@H]2c2ccccc2)c1 ZINC000589499436 854910997 /nfs/dbraw/zinc/91/09/97/854910997.db2.gz QSTWWAHNXDYVNP-NQIIRXRSSA-N 0 1 398.459 3.981 20 5 GHBDMN COc1cc(CN2CCC(c3cc(C)n[nH]3)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000273047984 855043802 /nfs/dbraw/zinc/04/38/02/855043802.db2.gz XXVCOIPPFAQNCI-UHFFFAOYSA-N 0 1 396.394 3.616 20 5 GHBDMN COc1ccc2nc(SCC(=O)Nc3cc(Cl)ccc3[N+](=O)[O-])[nH]c2c1 ZINC000004252221 855232788 /nfs/dbraw/zinc/23/27/88/855232788.db2.gz IFTUIHOPDBMUQA-UHFFFAOYSA-N 0 1 392.824 3.864 20 5 GHBDMN CC(C)CN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCc2cccnc21 ZINC000126848882 855925813 /nfs/dbraw/zinc/92/58/13/855925813.db2.gz VYQBVNAMJUUKJB-HXUWFJFHSA-N 0 1 396.491 3.988 20 5 GHBDMN Cc1ccc(C=Cc2n[nH]c(S[C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)n2)o1 ZINC000591374553 855956255 /nfs/dbraw/zinc/95/62/55/855956255.db2.gz NNFFXXGSLXPATD-LAUAKBEESA-N 0 1 399.432 3.904 20 5 GHBDMN Cc1ccc2nc([C@@H]3CCCN3C(=O)NCCc3ccc([N+](=O)[O-])cc3)[nH]c2c1 ZINC000141114469 856336301 /nfs/dbraw/zinc/33/63/01/856336301.db2.gz MIDFDDCALPFQHK-IBGZPJMESA-N 0 1 393.447 3.869 20 5 GHBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(Cl)c1N(C)C ZINC000520769572 856398193 /nfs/dbraw/zinc/39/81/93/856398193.db2.gz FISIIPRZYIWDDO-UHFFFAOYSA-N 0 1 383.857 3.677 20 5 GHBDMN O=C(Cc1ccc([N+](=O)[O-])cc1)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000058248468 856408320 /nfs/dbraw/zinc/40/83/20/856408320.db2.gz MWORBWRIULURLM-UHFFFAOYSA-N 0 1 387.867 3.572 20 5 GHBDMN O=c1[nH]c(NC[C@@H](c2cccs2)N2CCCC2)nc2ccc([N+](=O)[O-])cc12 ZINC000281066529 862830942 /nfs/dbraw/zinc/83/09/42/862830942.db2.gz ZUACCNFPCDGWCI-HNNXBMFYSA-N 0 1 385.449 3.554 20 5 GHBDMN CC(=O)Nc1cc(Cl)ccc1NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000554930893 856780819 /nfs/dbraw/zinc/78/08/19/856780819.db2.gz OZGTXDTWQVKHIU-UHFFFAOYSA-N 0 1 397.840 3.624 20 5 GHBDMN COc1cccc(N2C[C@@H](NCc3ccc(C(C)C)c([N+](=O)[O-])c3)CC2=O)c1 ZINC000508076771 856896443 /nfs/dbraw/zinc/89/64/43/856896443.db2.gz FCXIYTDDHHTMQI-INIZCTEOSA-N 0 1 383.448 3.622 20 5 GHBDMN COc1ccc(C(=O)N=c2[nH]c3ccccc3n2-c2ccccc2)cc1[N+](=O)[O-] ZINC000059310182 862854971 /nfs/dbraw/zinc/85/49/71/862854971.db2.gz GFBQTLNGUDLPBM-UHFFFAOYSA-N 0 1 388.383 3.617 20 5 GHBDMN CC(C)C[C@H](N)c1noc(CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 ZINC000592353521 857167352 /nfs/dbraw/zinc/16/73/52/857167352.db2.gz ZNHXZAYPAVYXFK-NSHDSACASA-N 0 1 387.362 3.697 20 5 GHBDMN O=C(N[C@H]1CSc2ccc(Br)cc21)c1cc(O)cc([N+](=O)[O-])c1 ZINC000428188175 857169605 /nfs/dbraw/zinc/16/96/05/857169605.db2.gz VYVHRCLZPGCNQJ-ZDUSSCGKSA-N 0 1 395.234 3.640 20 5 GHBDMN CC[C@](C)(NCCC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1nc(C)cs1 ZINC000173942649 857185584 /nfs/dbraw/zinc/18/55/84/857185584.db2.gz PXFVVNGDNPRSPB-SFHVURJKSA-N 0 1 376.482 3.912 20 5 GHBDMN O=C(Cc1ccc(F)cc1[N+](=O)[O-])Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1 ZINC000593038108 857193808 /nfs/dbraw/zinc/19/38/08/857193808.db2.gz WCHVEJFJIZRYNV-KRWDZBQOSA-N 0 1 384.367 3.643 20 5 GHBDMN O=C(NCc1ccccc1)C1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255032513 857385758 /nfs/dbraw/zinc/38/57/58/857385758.db2.gz PBQCTQLYPRPGDN-POHAHGRESA-N 0 1 379.460 3.636 20 5 GHBDMN Cc1ccc(NC(=O)C2CCN(C/C=C\c3ccccc3[N+](=O)[O-])CC2)nc1 ZINC000255088392 857459821 /nfs/dbraw/zinc/45/98/21/857459821.db2.gz UOAGYLFIWWSCJN-XQRVVYSFSA-N 0 1 380.448 3.662 20 5 GHBDMN C[C@@H](Sc1nc(-c2ccccc2F)n[nH]1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000009801173 857981678 /nfs/dbraw/zinc/98/16/78/857981678.db2.gz OGCAEHNSIYNFBB-SNVBAGLBSA-N 0 1 387.396 3.638 20 5 GHBDMN CCOc1ccc([C@H](C)N[C@H]2CCCN(C3CCCCC3)C2=O)cc1[N+](=O)[O-] ZINC000443096988 858375857 /nfs/dbraw/zinc/37/58/57/858375857.db2.gz VQWQRQFIXSACBE-YJBOKZPZSA-N 0 1 389.496 3.968 20 5 GHBDMN CCC[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000575062206 858509586 /nfs/dbraw/zinc/50/95/86/858509586.db2.gz ADWUOTIFXSLHKH-GOSISDBHSA-N 0 1 383.448 3.784 20 5 GHBDMN COC(=O)[C@@H]1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H]2CCCC[C@@H]12 ZINC000595733518 858669558 /nfs/dbraw/zinc/66/95/58/858669558.db2.gz RFJKCKWTPIOFBN-OTWHNJEPSA-N 0 1 399.447 3.804 20 5 GHBDMN C[C@@H]1SCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000543202104 858851996 /nfs/dbraw/zinc/85/19/96/858851996.db2.gz ALWDDZFAANBHOJ-XAUMDUMWSA-N 0 1 388.489 3.513 20 5 GHBDMN Cc1ccc(CN2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)cc1[N+](=O)[O-] ZINC000509373341 859210377 /nfs/dbraw/zinc/21/03/77/859210377.db2.gz PJHAYILXIAJDJH-HNNXBMFYSA-N 0 1 388.855 3.802 20 5 GHBDMN CCc1ccc([C@@H](NCC2CCN(C(C)=O)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000544358474 859267025 /nfs/dbraw/zinc/26/70/25/859267025.db2.gz AKBDGSBUKNMYDK-NRFANRHFSA-N 0 1 385.464 3.688 20 5 GHBDMN COCCN(Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])[C@@H]1CC[C@@H](C)C1 ZINC000483409296 859344924 /nfs/dbraw/zinc/34/49/24/859344924.db2.gz ARCBBCKQJORWPW-TZMCWYRMSA-N 0 1 388.411 3.842 20 5 GHBDMN C[C@]1(c2ccc(F)cc2)CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000483419291 859352587 /nfs/dbraw/zinc/35/25/87/859352587.db2.gz HWDYLRMSXAQTBN-FQEVSTJZSA-N 0 1 382.395 3.948 20 5 GHBDMN Cc1ccc(C=Cc2n[nH]c(SCC(=O)N(C)c3ccc([N+](=O)[O-])cc3)n2)o1 ZINC000012844259 859619990 /nfs/dbraw/zinc/61/99/90/859619990.db2.gz UIOBLAZWFBPBMJ-MDZDMXLPSA-N 0 1 399.432 3.540 20 5 GHBDMN C[C@H]1CN(Cc2ccccc2)CCN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000611171114 859633354 /nfs/dbraw/zinc/63/33/54/859633354.db2.gz WLSPPMCITZWKCH-KRWDZBQOSA-N 0 1 392.459 3.956 20 5 GHBDMN CC[C@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1C)c1ccccc1OCC(=O)NC ZINC000611517093 859797006 /nfs/dbraw/zinc/79/70/06/859797006.db2.gz YCWRHUIEGFRNOH-KXBFYZLASA-N 0 1 385.464 3.830 20 5 GHBDMN CC(C)(C)OC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840272605 859912607 /nfs/dbraw/zinc/91/26/07/859912607.db2.gz RDHULOXJJCFPMI-BXKDBHETSA-N 0 1 389.330 3.656 20 5 GHBDMN O=C(Nc1nnc(/C=C\c2ccco2)s1)c1cc(F)c([N+](=O)[O-])cc1F ZINC000765348809 859932573 /nfs/dbraw/zinc/93/25/73/859932573.db2.gz IZOXXMLQYAPBIB-ARJAWSKDSA-N 0 1 378.316 3.740 20 5 GHBDMN Cc1ccc([C@@H](C)NCc2cccc(C(=O)NC[C@@H]3CCCO3)c2)cc1[N+](=O)[O-] ZINC000154225458 860025827 /nfs/dbraw/zinc/02/58/27/860025827.db2.gz NQDOZBXZHZLIGY-UZLBHIALSA-N 0 1 397.475 3.663 20 5 GHBDMN COc1ccc([C@@H]2CCCN2C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])cc1F ZINC000598197046 860142435 /nfs/dbraw/zinc/14/24/35/860142435.db2.gz LJDJPEPNOQQXKI-ZDUSSCGKSA-N 0 1 376.388 3.566 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N2CC[C@@H]2c2ccc(Br)cc2)c1[N+](=O)[O-] ZINC000598422394 860297345 /nfs/dbraw/zinc/29/73/45/860297345.db2.gz CWESUVAIOJVIDV-GFCCVEGCSA-N 0 1 393.241 3.791 20 5 GHBDMN O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3ccc(-c4ccncc4)cc3F)C2)nc1 ZINC000093534263 860297878 /nfs/dbraw/zinc/29/78/78/860297878.db2.gz GSYJVBFBOYGTAI-SFHVURJKSA-N 0 1 393.422 3.877 20 5 GHBDMN Cc1[nH]nc(C(=O)N2CCC[C@]2(C)Cc2ccccc2C(F)(F)F)c1[N+](=O)[O-] ZINC000598452115 860317990 /nfs/dbraw/zinc/31/79/90/860317990.db2.gz HIZPAFMLRYAJQQ-QGZVFWFLSA-N 0 1 396.369 3.883 20 5 GHBDMN Cc1cccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2C)c1Br ZINC000093929184 860376926 /nfs/dbraw/zinc/37/69/26/860376926.db2.gz QPCKGMMZMIIYQJ-UHFFFAOYSA-N 0 1 385.239 3.775 20 5 GHBDMN COc1cc(CN[C@@H](CCCO)c2ccccc2)c([N+](=O)[O-])cc1OC(F)F ZINC000265882154 860468870 /nfs/dbraw/zinc/46/88/70/860468870.db2.gz OVZGCOJWDXGONS-HNNXBMFYSA-N 0 1 396.390 3.808 20 5 GHBDMN Cc1ccc([C@H](C)N[C@@H]2CCN(c3c(F)cccc3F)C2=O)cc1[N+](=O)[O-] ZINC000124704383 860474973 /nfs/dbraw/zinc/47/49/73/860474973.db2.gz XJAVWNHEJXKUMY-BLLLJJGKSA-N 0 1 375.375 3.638 20 5 GHBDMN C[C@@H](c1ccncc1)N1CCC(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000155303960 860475074 /nfs/dbraw/zinc/47/50/74/860475074.db2.gz ZMHVXYKIACVKJA-ZDUSSCGKSA-N 0 1 388.855 3.599 20 5 GHBDMN O=C(C[C@@]12CCCC[C@@H]1C2(F)F)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000598682059 860499819 /nfs/dbraw/zinc/49/98/19/860499819.db2.gz TWSIXFRBOJCDFK-LRDDRELGSA-N 0 1 377.351 3.534 20 5 GHBDMN COc1ccc(OC)c([C@@H]2CCC[N@@H+]2Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])c1 ZINC000593729512 861094064 /nfs/dbraw/zinc/09/40/64/861094064.db2.gz BGZJDNXFORKZDA-SFHVURJKSA-N 0 1 386.404 3.647 20 5 GHBDMN COc1ccc(OC)c([C@@H]2CCC[N@H+]2Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])c1 ZINC000593729512 861094074 /nfs/dbraw/zinc/09/40/74/861094074.db2.gz BGZJDNXFORKZDA-SFHVURJKSA-N 0 1 386.404 3.647 20 5 GHBDMN O=C(NC[C@H](c1cccs1)N1CCCC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000603730679 861097221 /nfs/dbraw/zinc/09/72/21/861097221.db2.gz MEWDZMKEXSZPIB-OAHLLOKOSA-N 0 1 385.445 3.969 20 5 GHBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@H](OCCCc3ccccc3)C2)c1 ZINC000593740436 861151444 /nfs/dbraw/zinc/15/14/44/861151444.db2.gz YFUSTABDYXILGR-IBGZPJMESA-N 0 1 384.432 3.517 20 5 GHBDMN Cc1cc(S(=O)(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)ccc1[N+](=O)[O-] ZINC000734418512 864210710 /nfs/dbraw/zinc/21/07/10/864210710.db2.gz JURDDFXWUBYZMZ-UHFFFAOYSA-N 0 1 390.417 3.746 20 5 GHBDMN Cc1ccc2nc(CNC(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)[nH]c2c1 ZINC000494467999 881758929 /nfs/dbraw/zinc/75/89/29/881758929.db2.gz RWDCHRZUJSXVHL-UHFFFAOYSA-N 0 1 379.420 3.654 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)ccc1CNCCNc1ccc(-c2ccccc2)nn1 ZINC000734834966 864469789 /nfs/dbraw/zinc/46/97/89/864469789.db2.gz FUMNTOOSVCCOEJ-UHFFFAOYSA-N 0 1 383.839 3.907 20 5 GHBDMN COc1c(C(=O)N2CCC[C@H]2c2nc3ccc(C)cc3[nH]2)cccc1[N+](=O)[O-] ZINC000475388757 864922918 /nfs/dbraw/zinc/92/29/18/864922918.db2.gz QSDMFGDWBIBGSY-KRWDZBQOSA-N 0 1 380.404 3.765 20 5 GHBDMN O=C(CN1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000554846429 865009547 /nfs/dbraw/zinc/00/95/47/865009547.db2.gz WHDYZJXFKCYHSW-ACDBMABISA-N 0 1 391.471 3.895 20 5 GHBDMN C[C@@H](OC(=O)c1c(F)cc(O)cc1F)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000735950932 865070463 /nfs/dbraw/zinc/07/04/63/865070463.db2.gz QYIFXDHMNZPBHE-MRVPVSSYSA-N 0 1 391.286 3.547 20 5 GHBDMN CCOc1ccc([N+](=O)[O-])cc1CNc1ccc2c(c1)nc(C)n2[C@@H](C)CO ZINC000842216633 865124510 /nfs/dbraw/zinc/12/45/10/865124510.db2.gz DPHWUUSLPJQXJU-ZDUSSCGKSA-N 0 1 384.436 3.817 20 5 GHBDMN COc1ccc2c(c1)CCN(Cc1coc(-c3ccc([N+](=O)[O-])cc3)n1)CC2 ZINC000534102454 866132667 /nfs/dbraw/zinc/13/26/67/866132667.db2.gz GNYWPQHMWNAAIY-UHFFFAOYSA-N 0 1 379.416 3.859 20 5 GHBDMN CSCCCCCNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000478915677 866873039 /nfs/dbraw/zinc/87/30/39/866873039.db2.gz NAYFSZCUXLCYFJ-UHFFFAOYSA-N 0 1 387.310 3.713 20 5 GHBDMN O=[N+]([O-])c1cn(CN2CCC[C@@H]2CCc2ccccc2)nc1-c1ccncc1 ZINC000742145486 867079554 /nfs/dbraw/zinc/07/95/54/867079554.db2.gz KSJNYATTZHTVOA-LJQANCHMSA-N 0 1 377.448 3.908 20 5 GHBDMN CC(C)N(Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@H](O)COc1ccccc1 ZINC000444810185 867241462 /nfs/dbraw/zinc/24/14/62/867241462.db2.gz ZRJSEKDAIGPNPX-KRWDZBQOSA-N 0 1 378.856 3.899 20 5 GHBDMN CN(C)[C@H](CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)Cc1ccccc1 ZINC000444823873 867268740 /nfs/dbraw/zinc/26/87/40/867268740.db2.gz HBHIMYMIQFJCDR-SFHVURJKSA-N 0 1 399.494 3.584 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2nc(CNCCOc3ccc(Cl)cn3)cs2)c1 ZINC000152131999 868715426 /nfs/dbraw/zinc/71/54/26/868715426.db2.gz LNXGPAJSZVKDNU-UHFFFAOYSA-N 0 1 390.852 3.935 20 5 GHBDMN O=[N+]([O-])c1cc(F)ccc1NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000524265074 868812761 /nfs/dbraw/zinc/81/27/61/868812761.db2.gz UTMYTWJLSNWXPK-UHFFFAOYSA-N 0 1 392.188 3.894 20 5 GHBDMN O=[N+]([O-])c1cc(F)ccc1NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000524265074 868812772 /nfs/dbraw/zinc/81/27/72/868812772.db2.gz UTMYTWJLSNWXPK-UHFFFAOYSA-N 0 1 392.188 3.894 20 5 GHBDMN CO[C@@H](C)CN[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000190745607 882257367 /nfs/dbraw/zinc/25/73/67/882257367.db2.gz BFKKKJZIMHZDKC-SJCJKPOMSA-N 0 1 377.828 3.553 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCCCOC1CCCC1 ZINC000462275894 869149820 /nfs/dbraw/zinc/14/98/20/869149820.db2.gz WIPZGTANNIFYRI-UHFFFAOYSA-N 0 1 397.280 3.529 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2ccc(CN[C@H](CO)CC(F)(F)F)o2)c(Cl)c1 ZINC000539520732 869279277 /nfs/dbraw/zinc/27/92/77/869279277.db2.gz SPMFMZAVLZXXMF-VIFPVBQESA-N 0 1 378.734 3.911 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2ccc(CN[C@@H](CO)CC(F)(F)F)o2)c(Cl)c1 ZINC000539520728 869279467 /nfs/dbraw/zinc/27/94/67/869279467.db2.gz SPMFMZAVLZXXMF-SECBINFHSA-N 0 1 378.734 3.911 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCc1cccc(F)c1 ZINC000462438283 869430006 /nfs/dbraw/zinc/43/00/06/869430006.db2.gz SJKVRTSCNNAZKP-UHFFFAOYSA-N 0 1 379.196 3.519 20 5 GHBDMN Cc1ccc(CN2CC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)cc1[N+](=O)[O-] ZINC000793603425 882309869 /nfs/dbraw/zinc/30/98/69/882309869.db2.gz AMNKJFMOTDAXLL-HXUWFJFHSA-N 0 1 375.469 3.736 20 5 GHBDMN CC[C@@]1(O)CCN(Cc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C1 ZINC000428437867 869661108 /nfs/dbraw/zinc/66/11/08/869661108.db2.gz UPTCOEMNFJIYRE-OAQYLSRUSA-N 0 1 386.448 3.529 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2ccc(CN3CCC([C@@H](O)C(F)(F)F)CC3)o2)c1 ZINC000539852077 869918866 /nfs/dbraw/zinc/91/88/66/869918866.db2.gz LQRSUJKYOPUUGG-QGZVFWFLSA-N 0 1 384.354 3.990 20 5 GHBDMN C[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccccc1C(F)(F)F ZINC000525185044 870126877 /nfs/dbraw/zinc/12/68/77/870126877.db2.gz YHFUUQXIKQARLH-SECBINFHSA-N 0 1 392.330 3.792 20 5 GHBDMN O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000181280909 870637691 /nfs/dbraw/zinc/63/76/91/870637691.db2.gz AGMDBYQKLKCGMO-HNNXBMFYSA-N 0 1 392.419 3.791 20 5 GHBDMN C[C@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2cccnc2)cc1 ZINC000181304652 870789492 /nfs/dbraw/zinc/78/94/92/870789492.db2.gz IYTOABITPDRUJN-INIZCTEOSA-N 0 1 390.443 3.970 20 5 GHBDMN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N=c1[nH][nH]c(-c2ccc(C)o2)c1C ZINC000463104132 870930163 /nfs/dbraw/zinc/93/01/63/870930163.db2.gz GRUNUNVQAYJKEC-HNNXBMFYSA-N 0 1 382.420 3.824 20 5 GHBDMN CC1(C)CC[C@@H](NS(=O)(=O)c2ncccc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC001193997042 871453558 /nfs/dbraw/zinc/45/35/58/871453558.db2.gz GPDGHISGYFKLNZ-JKSUJKDBSA-N 0 1 389.477 3.631 20 5 GHBDMN O=S(=O)(Cc1noc2ccccc12)Nc1cc2cccnc2c2ncccc12 ZINC001194099674 871504899 /nfs/dbraw/zinc/50/48/99/871504899.db2.gz VBNUBCFOXUMBBR-UHFFFAOYSA-N 0 1 390.424 3.866 20 5 GHBDMN COc1cc(CNc2nnc(Cc3ccc(F)cc3)s2)cc([N+](=O)[O-])c1O ZINC000181814760 871505674 /nfs/dbraw/zinc/50/56/74/871505674.db2.gz FEIQKWPILMJWRE-UHFFFAOYSA-N 0 1 390.396 3.503 20 5 GHBDMN COc1ccc([C@@H](CNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])N2CCCC2)cc1 ZINC000804324997 871527902 /nfs/dbraw/zinc/52/79/02/871527902.db2.gz NQSDCGIMLUNWIK-GOSISDBHSA-N 0 1 386.408 3.761 20 5 GHBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H](C)c1ccc(OC(F)F)cc1 ZINC000539220504 871533892 /nfs/dbraw/zinc/53/38/92/871533892.db2.gz YRRORRGZBCFQQH-GFCCVEGCSA-N 0 1 379.363 3.794 20 5 GHBDMN CSc1cccc(C(=O)N[C@H]2CN(Cc3ccccc3)CC[C@@H]2C)c1[N+](=O)[O-] ZINC001169537859 871615037 /nfs/dbraw/zinc/61/50/37/871615037.db2.gz BYPHSTVFUIEOMT-YJBOKZPZSA-N 0 1 399.516 3.957 20 5 GHBDMN O=C(NCc1ccccc1)[C@H](Cc1ccccc1)NCc1ccc([N+](=O)[O-])cc1 ZINC000540613976 871722484 /nfs/dbraw/zinc/72/24/84/871722484.db2.gz UPXXLAFUEBXOAO-QFIPXVFZSA-N 0 1 389.455 3.612 20 5 GHBDMN Cc1ccc(S(=O)(=O)C[C@@H](C)N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000447597560 871910198 /nfs/dbraw/zinc/91/01/98/871910198.db2.gz FRMIYCSIIALVCX-QRWLVFNGSA-N 0 1 388.489 3.733 20 5 GHBDMN CN(C)[C@@H]1CCOc2c(NC(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)cccc21 ZINC000447728662 872171151 /nfs/dbraw/zinc/17/11/51/872171151.db2.gz MCQWIVMTVYEGDE-GOSISDBHSA-N 0 1 380.404 3.714 20 5 GHBDMN CN(C)[C@@H]1CCOc2c(NC(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)cccc21 ZINC000447722668 872209890 /nfs/dbraw/zinc/20/98/90/872209890.db2.gz KJGXBERJAJFGJB-GOSISDBHSA-N 0 1 396.447 3.807 20 5 GHBDMN Cc1ccc(Sc2ccc(CN[C@@H](CO)[C@@H]3CCCO3)cc2[N+](=O)[O-])cc1 ZINC000447968738 872581337 /nfs/dbraw/zinc/58/13/37/872581337.db2.gz RPMXDHCSIKERER-HKUYNNGSSA-N 0 1 388.489 3.684 20 5 GHBDMN O=[N+]([O-])c1cccc(OCCN2CCC[C@H](Oc3ccc(C4CC4)cn3)C2)c1 ZINC001196573127 873231874 /nfs/dbraw/zinc/23/18/74/873231874.db2.gz FJENDVDVZVAKBZ-FQEVSTJZSA-N 0 1 383.448 3.789 20 5 GHBDMN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000768542010 873375016 /nfs/dbraw/zinc/37/50/16/873375016.db2.gz CKLYIMAYKFNULQ-XJKSGUPXSA-N 0 1 379.457 3.568 20 5 GHBDMN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000768542010 873375026 /nfs/dbraw/zinc/37/50/26/873375026.db2.gz CKLYIMAYKFNULQ-XJKSGUPXSA-N 0 1 379.457 3.568 20 5 GHBDMN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000768542010 873375035 /nfs/dbraw/zinc/37/50/35/873375035.db2.gz CKLYIMAYKFNULQ-XJKSGUPXSA-N 0 1 379.457 3.568 20 5 GHBDMN CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](CCCN2Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC001197169053 873636287 /nfs/dbraw/zinc/63/62/87/873636287.db2.gz VAUFRBYUMUWGGA-YOEHRIQHSA-N 0 1 393.459 3.955 20 5 GHBDMN C[C@H]1CCC[N@@H+](Cc2ccc([N-]S(=O)(=O)c3csc([N+](=O)[O-])c3)cc2)C1 ZINC000768865397 873667898 /nfs/dbraw/zinc/66/78/98/873667898.db2.gz AFIAPFCTSWSLBE-ZDUSSCGKSA-N 0 1 395.506 3.689 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)ccc1CN[C@H](Cc1ccccc1)[C@H](O)C(F)(F)F ZINC001197285433 873713216 /nfs/dbraw/zinc/71/32/16/873713216.db2.gz QDGFPENEWUIJKQ-ZBFHGGJFSA-N 0 1 388.773 3.872 20 5 GHBDMN CN(CCOC(=O)CSc1ccccc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000769045590 873758834 /nfs/dbraw/zinc/75/88/34/873758834.db2.gz QJVYSKFWACRYHI-UHFFFAOYSA-N 0 1 378.425 3.501 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCO[C@H](C2CCCCC2)C1 ZINC000541718129 874161646 /nfs/dbraw/zinc/16/16/46/874161646.db2.gz KLNSYKCHKOBILH-IBGZPJMESA-N 0 1 375.469 3.513 20 5 GHBDMN COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)/C=C\c1ccccc1Cl ZINC000769672403 874224563 /nfs/dbraw/zinc/22/45/63/874224563.db2.gz IYSOIUSZYWACGR-HJWRWDBZSA-N 0 1 382.825 3.807 20 5 GHBDMN O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3cnc(-c4ccccc4F)s3)C2)nc1 ZINC000449031838 874372133 /nfs/dbraw/zinc/37/21/33/874372133.db2.gz WOYVAUVNDKYVSI-ZDUSSCGKSA-N 0 1 399.451 3.939 20 5 GHBDMN COc1ccc(NC(=O)[C@@H](C)N2CCC[C@@H](C3CCCC3)C2)c([N+](=O)[O-])c1 ZINC001198706559 874598428 /nfs/dbraw/zinc/59/84/28/874598428.db2.gz QGJNALROBQCUSQ-GDBMZVCRSA-N 0 1 375.469 3.833 20 5 GHBDMN CC(C)[C@@H](N[C@@H](C)Cc1ccccc1[N+](=O)[O-])c1nc(-c2ccncc2)no1 ZINC000449223182 874612198 /nfs/dbraw/zinc/61/21/98/874612198.db2.gz JLFSXRNFUIPVKC-KBXCAEBGSA-N 0 1 381.436 3.958 20 5 GHBDMN CC(C)[C@@H](N[C@@H](C)Cc1ccccc1[N+](=O)[O-])c1nc(-c2cccnc2)no1 ZINC000449226632 874615644 /nfs/dbraw/zinc/61/56/44/874615644.db2.gz RTPHRTYHCJCRRZ-KBXCAEBGSA-N 0 1 381.436 3.958 20 5 GHBDMN C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000770377596 874618728 /nfs/dbraw/zinc/61/87/28/874618728.db2.gz CFVKWUMKWFQMBH-OWWQLCIYSA-N 0 1 375.469 3.986 20 5 GHBDMN O=C(Nc1ccccc1CN1CCC(O)CC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000271784684 875343812 /nfs/dbraw/zinc/34/38/12/875343812.db2.gz SXYQUXZCORANAZ-UHFFFAOYSA-N 0 1 395.415 3.550 20 5 GHBDMN CC[C@@H](c1ccncc1)N(CC)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000449973850 875739746 /nfs/dbraw/zinc/73/97/46/875739746.db2.gz SFXYCBXDZWASIX-IBGZPJMESA-N 0 1 379.420 3.993 20 5 GHBDMN C[C@H]([NH2+]Cc1cc([O-])ccc1[N+](=O)[O-])c1ccc(NC(=O)c2ccncc2)cc1 ZINC000549927631 875908941 /nfs/dbraw/zinc/90/89/41/875908941.db2.gz BXQDSZWBFRFDFJ-AWEZNQCLSA-N 0 1 392.415 3.799 20 5 GHBDMN Cc1ccn(-c2ccccc2NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)n1 ZINC000491849167 875985974 /nfs/dbraw/zinc/98/59/74/875985974.db2.gz KXBRSGGXLLRCQR-UHFFFAOYSA-N 0 1 386.433 3.507 20 5 GHBDMN Cc1nc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC000450208335 876077700 /nfs/dbraw/zinc/07/77/00/876077700.db2.gz LWPJNXDUBGXWAT-UHFFFAOYSA-N 0 1 389.459 3.605 20 5 GHBDMN CCC1(CC)Oc2ccc(NS(=O)(=O)c3csc([N+](=O)[O-])c3)cc2O1 ZINC000786727878 876889958 /nfs/dbraw/zinc/88/99/58/876889958.db2.gz PMGLPAULIKVQPH-UHFFFAOYSA-N 0 1 384.435 3.745 20 5 GHBDMN CCc1[nH]nc(C(=O)N(CCc2ccc(C)cc2)Cc2ccco2)c1[N+](=O)[O-] ZINC000192650249 883092566 /nfs/dbraw/zinc/09/25/66/883092566.db2.gz UHMGEEUUGXOGSG-UHFFFAOYSA-N 0 1 382.420 3.667 20 5 GHBDMN CC(C)[C@@H]1CN(C)CCN1C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000610003399 877277126 /nfs/dbraw/zinc/27/71/26/877277126.db2.gz BJNYMDYPQPRQFB-NRFANRHFSA-N 0 1 396.491 3.619 20 5 GHBDMN C[C@H](NCC(=O)N(Cc1ccccc1)CC(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000451100898 877393922 /nfs/dbraw/zinc/39/39/22/877393922.db2.gz YXZRKBXUFGCQCW-AWEZNQCLSA-N 0 1 395.381 3.837 20 5 GHBDMN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000610121932 877435434 /nfs/dbraw/zinc/43/54/34/877435434.db2.gz JELBCDREAMLSLT-KRWDZBQOSA-N 0 1 399.516 3.810 20 5 GHBDMN COc1cc(CN(C)CCOc2ccccc2[N+](=O)[O-])c(SC)cc1OC ZINC000610161231 877466714 /nfs/dbraw/zinc/46/67/14/877466714.db2.gz USEDWKVXNNGENK-UHFFFAOYSA-N 0 1 392.477 3.845 20 5 GHBDMN O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H]1CCc2nc(C3CCCCC3)[nH]c2C1 ZINC000788244817 877943995 /nfs/dbraw/zinc/94/39/95/877943995.db2.gz OUMIILXXTMSQJH-MRXNPFEDSA-N 0 1 382.464 3.582 20 5 GHBDMN CC(C)(C)OC(=O)N1CCC2(C1)CCN(Cc1ccc(F)cc1[N+](=O)[O-])CC2 ZINC000852086683 878069111 /nfs/dbraw/zinc/06/91/11/878069111.db2.gz UIKATQRCRZFKIG-UHFFFAOYSA-N 0 1 393.459 3.957 20 5 GHBDMN C[C@@H]1[C@@H](C)N(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)CCN1C ZINC000537808454 878322021 /nfs/dbraw/zinc/32/20/21/878322021.db2.gz ASOCYEDNEWBNAW-HUUCEWRRSA-N 0 1 385.489 3.911 20 5 GHBDMN Cc1cc(C)c(N2CC[C@@H](N[C@@H](C)c3ccc(N)c([N+](=O)[O-])c3)C2=O)c(C)c1 ZINC000788775305 878336669 /nfs/dbraw/zinc/33/66/69/878336669.db2.gz HPQSRGZDKVXPCO-MAUKXSAKSA-N 0 1 382.464 3.558 20 5 GHBDMN C[C@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccccc1C(F)(F)F ZINC000538259791 879138688 /nfs/dbraw/zinc/13/86/88/879138688.db2.gz OPLPXLUOUXNZNA-LBPRGKRZSA-N 0 1 393.365 3.854 20 5 GHBDMN CN(C[C@H]1CCc2ccccc21)CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000853609766 879164122 /nfs/dbraw/zinc/16/41/22/879164122.db2.gz MGZJACMEBYACLP-WIYYLYMNSA-N 0 1 379.460 3.530 20 5 GHBDMN Cc1ccc([C@@H](C)NCC(=O)NCc2ccccc2COC(C)C)cc1[N+](=O)[O-] ZINC000538279219 879172267 /nfs/dbraw/zinc/17/22/67/879172267.db2.gz GDJSIKODVPIZIC-QGZVFWFLSA-N 0 1 399.491 3.795 20 5 GHBDMN CN1C(=O)c2ccccc2[C@@H]1CNCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001183326454 912442910 /nfs/dbraw/zinc/44/29/10/912442910.db2.gz WZQCJMINSGZRJM-INIZCTEOSA-N 0 1 379.338 3.530 20 5 GHBDMN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)Cc1cc(C)[nH]n1 ZINC000538571335 879738796 /nfs/dbraw/zinc/73/87/96/879738796.db2.gz GSSKRKVHRJZFCZ-LBPRGKRZSA-N 0 1 376.482 3.880 20 5 GHBDMN CC(C)(C)[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000520156465 879909969 /nfs/dbraw/zinc/90/99/69/879909969.db2.gz KTLCLKCJIICPPY-INIZCTEOSA-N 0 1 384.404 3.939 20 5 GHBDMN C[C@@H]1C[C@@H](Nc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000520234075 880409475 /nfs/dbraw/zinc/40/94/75/880409475.db2.gz OCAZMVDEGRJYAP-QAPCUYQASA-N 0 1 383.448 3.687 20 5 GHBDMN CC[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1OCC(=O)N(C)C ZINC000173333281 881082930 /nfs/dbraw/zinc/08/29/30/881082930.db2.gz SYDOFCCSZLMEFS-DNVCBOLYSA-N 0 1 385.464 3.864 20 5 GHBDMN O=C1[C@@H](NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C[C@@H]2CCCCN12 ZINC000453614494 881153248 /nfs/dbraw/zinc/15/32/48/881153248.db2.gz FCBJADCFMSCDMH-WMZOPIPTSA-N 0 1 399.422 3.769 20 5 GHBDMN O=C(Nc1ccc2[nH]nnc2c1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000532112024 881168946 /nfs/dbraw/zinc/16/89/46/881168946.db2.gz HTAKGPJITANEMJ-UHFFFAOYSA-N 0 1 388.387 3.731 20 5 GHBDMN Cc1ccc(-c2n[nH]c(NC(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000609604029 883409398 /nfs/dbraw/zinc/40/93/98/883409398.db2.gz YJNACYAKKWQZGQ-LBPRGKRZSA-N 0 1 383.433 3.808 20 5 GHBDMN O=[N+]([O-])c1ccc(NS(=O)(=O)Cc2ccc(Cl)c(F)c2)c2cccnc21 ZINC000194707940 884159460 /nfs/dbraw/zinc/15/94/60/884159460.db2.gz UIZHOIRTAIPZMR-UHFFFAOYSA-N 0 1 395.799 3.877 20 5 GHBDMN O=[N+]([O-])c1cc(CN[C@H](c2c[nH]nn2)c2ccc(F)cc2)cc(C(F)(F)F)c1 ZINC000556244034 884216061 /nfs/dbraw/zinc/21/60/61/884216061.db2.gz VLHRMPVEOCRTFX-INIZCTEOSA-N 0 1 395.316 3.750 20 5 GHBDMN Cc1cc(C(=O)OCc2cc(O)ccc2[N+](=O)[O-])c(C)n1C[C@H]1CCCOC1 ZINC000860364930 884605850 /nfs/dbraw/zinc/60/58/50/884605850.db2.gz QDZPWGXNKZRSPY-OAHLLOKOSA-N 0 1 388.420 3.502 20 5 GHBDMN COc1c(O)ccc(CN2CCC[C@H](Cc3nc(C)cs3)C2)c1[N+](=O)[O-] ZINC001183855616 912857704 /nfs/dbraw/zinc/85/77/04/912857704.db2.gz RDCYJLOBYKCODQ-CYBMUJFWSA-N 0 1 377.466 3.529 20 5 GHBDMN Cc1c([C@H](C)NCC(=O)Nc2cccc(Br)c2)cccc1[N+](=O)[O-] ZINC000495374487 885567313 /nfs/dbraw/zinc/56/73/13/885567313.db2.gz QHEFUZBGTTZHOT-LBPRGKRZSA-N 0 1 392.253 3.955 20 5 GHBDMN CC(C)(C(=O)O[C@@H]1CCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000763010249 887550876 /nfs/dbraw/zinc/55/08/76/887550876.db2.gz BHUVNACNLVBBBS-QGZVFWFLSA-N 0 1 386.423 3.829 20 5 GHBDMN O=[N+]([O-])c1cccc(OC[C@H](O)CN(Cc2ccco2)Cc2ccccc2)c1 ZINC000026713129 887757757 /nfs/dbraw/zinc/75/77/57/887757757.db2.gz SKZPTGNHRZVBNE-LJQANCHMSA-N 0 1 382.416 3.630 20 5 GHBDMN Cc1cc(N2CCCC2)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000194133976 888058097 /nfs/dbraw/zinc/05/80/97/888058097.db2.gz YAAWKWDWWYXENZ-UHFFFAOYSA-N 0 1 395.868 3.958 20 5 GHBDMN COc1ccc(C=C(C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1F ZINC000810343859 888442517 /nfs/dbraw/zinc/44/25/17/888442517.db2.gz VSWQRCXMLJNTMV-DHZHZOJOSA-N 0 1 397.366 3.570 20 5 GHBDMN C[C@H](NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc2c(c1)OCC(=O)N2 ZINC000287330217 913266089 /nfs/dbraw/zinc/26/60/89/913266089.db2.gz FXJIFDNZLQSINW-JTQLQIEISA-N 0 1 395.337 3.795 20 5 GHBDMN O=C(NCCNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1ccccc1F ZINC000811474796 889661127 /nfs/dbraw/zinc/66/11/27/889661127.db2.gz BLYOHFQZGFONNO-UHFFFAOYSA-N 0 1 386.210 3.560 20 5 GHBDMN CC(C)c1ccc(C[N@@H+]2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000811514485 889708392 /nfs/dbraw/zinc/70/83/92/889708392.db2.gz LPOWMWDNVHOMDO-AWEZNQCLSA-N 0 1 387.402 3.609 20 5 GHBDMN CC(C)c1ccc(C[N@H+]2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000811514485 889708406 /nfs/dbraw/zinc/70/84/06/889708406.db2.gz LPOWMWDNVHOMDO-AWEZNQCLSA-N 0 1 387.402 3.609 20 5 GHBDMN CCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C ZINC000811723685 889922938 /nfs/dbraw/zinc/92/29/38/889922938.db2.gz VLFBKLAHCAMLHR-UHFFFAOYSA-N 0 1 399.812 3.828 20 5 GHBDMN NC(=O)c1ccc(CN2CCC[C@H](c3nc4ccccc4s3)C2)c([N+](=O)[O-])c1 ZINC000533471531 890637411 /nfs/dbraw/zinc/63/74/11/890637411.db2.gz RWCFSSGDQWNNFC-HNNXBMFYSA-N 0 1 396.472 3.683 20 5 GHBDMN CCC(=O)c1ccc(O)c(NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])c1 ZINC000812707796 890908197 /nfs/dbraw/zinc/90/81/97/890908197.db2.gz NHJFVGKSROURAJ-UHFFFAOYSA-N 0 1 380.759 3.867 20 5 GHBDMN CSc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1ccccc1Cn1cncn1 ZINC000872020288 891119077 /nfs/dbraw/zinc/11/90/77/891119077.db2.gz FHEXLBAPYCPMMW-AWEZNQCLSA-N 0 1 383.477 3.807 20 5 GHBDMN O=C(Nc1cnn(-c2ccncc2)c1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000812965623 891167705 /nfs/dbraw/zinc/16/77/05/891167705.db2.gz DJPLZMCHYYZLME-UHFFFAOYSA-N 0 1 378.175 3.735 20 5 GHBDMN Cc1ccc(CN2CC[C@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000814175955 892329746 /nfs/dbraw/zinc/32/97/46/892329746.db2.gz KWBADGZRTZTNSW-SJORKVTESA-N 0 1 375.469 3.735 20 5 GHBDMN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)Nc1ccc(N2CCN(C)CC2)cc1C ZINC000875040346 892425305 /nfs/dbraw/zinc/42/53/05/892425305.db2.gz LWSPPITUJZCKAO-UHFFFAOYSA-N 0 1 382.464 3.524 20 5 GHBDMN CC(C)(C)OC(=O)N1C[C@@H]2CCN(Cc3c(F)cccc3[N+](=O)[O-])CC[C@@H]2C1 ZINC000814677689 893061703 /nfs/dbraw/zinc/06/17/03/893061703.db2.gz DKGNEGUOKSGZSA-GASCZTMLSA-N 0 1 393.459 3.813 20 5 GHBDMN COc1ccc(CN2CC3(C2)CCCOC3)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000459615233 893901382 /nfs/dbraw/zinc/90/13/82/893901382.db2.gz YUWKCRCOAMSVSH-UHFFFAOYSA-N 0 1 398.459 3.795 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1CN1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459652493 893986533 /nfs/dbraw/zinc/98/65/33/893986533.db2.gz BYSQQDJDKHPIAQ-MRXNPFEDSA-N 0 1 388.386 3.784 20 5 GHBDMN C[N@@H+](Cc1ccccc1)CC(C)(C)NCc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878298986 894175686 /nfs/dbraw/zinc/17/56/86/894175686.db2.gz OKSOLRNMDJIOKO-UHFFFAOYSA-N 0 1 395.463 3.645 20 5 GHBDMN COc1cccc([C@]2(C)CCN(Cc3nnc(-c4ccccc4[N+](=O)[O-])o3)C2)c1 ZINC000878950710 894746408 /nfs/dbraw/zinc/74/64/08/894746408.db2.gz ZZNHQWRUUTWBDY-OAQYLSRUSA-N 0 1 394.431 3.817 20 5 GHBDMN Cc1cc(N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000565034949 895360516 /nfs/dbraw/zinc/36/05/16/895360516.db2.gz JBZRYXGIAKYIMV-JOCHJYFZSA-N 0 1 395.459 3.704 20 5 GHBDMN O=C([O-])c1cc(N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000565037024 895361536 /nfs/dbraw/zinc/36/15/36/895361536.db2.gz ZKOASMBKGIDKMI-YLJYHZDGSA-N 0 1 395.459 3.784 20 5 GHBDMN C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNc3ncc(C(=O)[O-])cc3[N+](=O)[O-])cc2)C1 ZINC000565835976 895919539 /nfs/dbraw/zinc/91/95/39/895919539.db2.gz LVXBOXAHTRAZBT-GASCZTMLSA-N 0 1 398.463 3.778 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2cnn(CN3CC4(CCC4)[C@H]3C3CCOCC3)c2)c1 ZINC000819902168 897044491 /nfs/dbraw/zinc/04/44/91/897044491.db2.gz MTQSVOOLAYQZFC-HXUWFJFHSA-N 0 1 382.464 3.697 20 5 GHBDMN CCc1c(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)[nH]nc1-c1ccncc1 ZINC000102868970 898044016 /nfs/dbraw/zinc/04/40/16/898044016.db2.gz SKFJFLNCWVIOOE-UHFFFAOYSA-N 0 1 394.435 3.773 20 5 GHBDMN Cc1c(NS(=O)(=O)c2ccc(Br)s2)c(F)ccc1[N+](=O)[O-] ZINC000800051028 898537779 /nfs/dbraw/zinc/53/77/79/898537779.db2.gz DIUZQDJSSGBGQS-UHFFFAOYSA-N 0 1 395.231 3.667 20 5 GHBDMN Cc1cc(Br)ccc1CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000332463692 899687947 /nfs/dbraw/zinc/68/79/47/899687947.db2.gz RENGNVLYHNIKPA-UHFFFAOYSA-N 0 1 379.258 3.699 20 5 GHBDMN CC(C)(C)O[C@@H]1C[C@@H](NCc2ccc([N+](=O)[O-])c(Cl)c2)[C@H]1n1cccn1 ZINC000825118867 899989938 /nfs/dbraw/zinc/98/99/38/899989938.db2.gz YMDPCNRVKJYWIP-DJIMGWMZSA-N 0 1 378.860 3.732 20 5 GHBDMN COc1ccc(NC(=O)CCN2CCc3cccc(F)c3[C@H]2C)c([N+](=O)[O-])c1 ZINC000572341652 900149853 /nfs/dbraw/zinc/14/98/53/900149853.db2.gz HDRUYJZAORGSPO-CYBMUJFWSA-N 0 1 387.411 3.690 20 5 GHBDMN CC(C)(C)N1CC[C@@H]1COC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000845734270 902355282 /nfs/dbraw/zinc/35/52/82/902355282.db2.gz GNODYPAGQLIIAV-CQSZACIVSA-N 0 1 375.450 3.748 20 5 GHBDMN Cn1c(=O)ccc2c1CCC[C@H]2NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000846122707 902699804 /nfs/dbraw/zinc/69/98/04/902699804.db2.gz LQCXLYGWMCRTHJ-CQSZACIVSA-N 0 1 382.247 3.768 20 5 GHBDMN O=C(CCN1CCC(C(F)(F)F)(C(F)(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000265297605 903785039 /nfs/dbraw/zinc/78/50/39/903785039.db2.gz FIBUURYIKSFUQW-UHFFFAOYSA-N 0 1 399.291 3.740 20 5 GHBDMN Cc1cccc(C(=O)N2CCN([C@@H]3CCc4ccc([N+](=O)[O-])cc4CC3)CC2)c1 ZINC001172915231 905986771 /nfs/dbraw/zinc/98/67/71/905986771.db2.gz MLIMARCGGLNQBT-OAQYLSRUSA-N 0 1 393.487 3.609 20 5 GHBDMN O=C(C1CCCCC1)N1CCN([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172921376 905992983 /nfs/dbraw/zinc/99/29/83/905992983.db2.gz PLLHGRUCYZFNDT-FQEVSTJZSA-N 0 1 385.508 3.567 20 5 GHBDMN O=C(Nc1cccc(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)c1)[C@@H]1CCCO1 ZINC000192731452 908819663 /nfs/dbraw/zinc/81/96/63/908819663.db2.gz HYHPPVWTDVWYOW-SFTDATJTSA-N 0 1 395.459 3.880 20 5 GHBDMN O=C([O-])C[N@@H+](CCc1ccccc1)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000901661513 921445623 /nfs/dbraw/zinc/44/56/23/921445623.db2.gz OPRZBWVUURJBBK-UHFFFAOYSA-N 0 1 382.338 3.743 20 5 GHBDMN O=[N+]([O-])c1ccc2nc(N3CCC(CCCN4CCOCC4)CC3)sc2c1 ZINC000779915740 909071024 /nfs/dbraw/zinc/07/10/24/909071024.db2.gz WZGYCLOSPAZKRN-UHFFFAOYSA-N 0 1 390.509 3.533 20 5 GHBDMN O=[N+]([O-])c1cccc(Br)c1CN[C@@H]1[C@@H]2Cc3cc(F)ccc3[C@@H]21 ZINC001179210606 909418850 /nfs/dbraw/zinc/41/88/50/909418850.db2.gz KAOXRFQBTAUGOA-OAUYIBNBSA-N 0 1 377.213 3.924 20 5 GHBDMN O=[N+]([O-])c1cccc(Br)c1CNC[C@@H](O)Cc1cccc(Cl)c1 ZINC001179502568 909572427 /nfs/dbraw/zinc/57/24/27/909572427.db2.gz SSSOPAHBTUCWEX-ZDUSSCGKSA-N 0 1 399.672 3.704 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)Nc2ccc(C(F)(F)F)nc2)c1 ZINC000795345939 910025762 /nfs/dbraw/zinc/02/57/62/910025762.db2.gz QRFHHFFFDAVVNO-UHFFFAOYSA-N 0 1 399.709 3.602 20 5 GHBDMN CCOc1ccc2c(c1)c(=N)c1ccc(N)cc1n2C(=O)C[C@@H]1CCCCO1 ZINC001180414622 910155670 /nfs/dbraw/zinc/15/56/70/910155670.db2.gz KQZXHYPYEGPZEH-HNNXBMFYSA-N 0 1 379.460 3.854 20 5 GHBDMN CCOc1ccc([C@@H](C)N[C@H](C)c2ccc3c(c2)CC(=O)N3C)cc1[N+](=O)[O-] ZINC000271028040 910760503 /nfs/dbraw/zinc/76/05/03/910760503.db2.gz BMIVQLGBTOGQOF-ZIAGYGMSSA-N 0 1 383.448 3.924 20 5 GHBDMN CCN(c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2OC)cc1)C(C)C ZINC000795611605 911417464 /nfs/dbraw/zinc/41/74/64/911417464.db2.gz JKGAZYCVMQOMGB-UHFFFAOYSA-N 0 1 393.465 3.639 20 5 GHBDMN O=C1[C@@H](N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCCN1Cc1ccccc1 ZINC000774264881 911588378 /nfs/dbraw/zinc/58/83/78/911588378.db2.gz CMBGBLHOSOWXKI-RTWAWAEBSA-N 0 1 379.460 3.753 20 5 GHBDMN O=C([O-])[C@H]1CSCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000901891777 921705043 /nfs/dbraw/zinc/70/50/43/921705043.db2.gz PBAVLMPFPIKQID-CYBMUJFWSA-N 0 1 378.475 3.573 20 5 GHBDMN O=[N+]([O-])c1ccc(N2CC3(CN(Cc4ccccc4)C3)C2)cc1OC(F)F ZINC001187297858 915181286 /nfs/dbraw/zinc/18/12/86/915181286.db2.gz VXZMUODQPJIIBD-UHFFFAOYSA-N 0 1 375.375 3.518 20 5 GHBDMN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000303940617 915328258 /nfs/dbraw/zinc/32/82/58/915328258.db2.gz YLTNDNYNDUWUBA-OAHLLOKOSA-N 0 1 387.867 3.985 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000292580661 915750679 /nfs/dbraw/zinc/75/06/79/915750679.db2.gz CIKLXJWPRWSRHC-AWEZNQCLSA-N 0 1 385.420 3.801 20 5 GHBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@@H](Cc2ccncc2)C1 ZINC000360341023 916069013 /nfs/dbraw/zinc/06/90/13/916069013.db2.gz BRKLQUHJWZRCJU-HOCLYGCPSA-N 0 1 379.420 3.665 20 5 GHBDMN Nc1ccc2n(C(=O)c3cn[nH]c3-c3ccccc3)c3ccccc3cc-2c1=O ZINC001189697573 916839660 /nfs/dbraw/zinc/83/96/60/916839660.db2.gz ZFMHGEDTWXFRIB-UHFFFAOYSA-N 0 1 380.407 3.767 20 5 GHBDMN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1CCC(OC2CCCCC2)CC1 ZINC000294705019 916941559 /nfs/dbraw/zinc/94/15/59/916941559.db2.gz LKESXIPOLVXFOR-UHFFFAOYSA-N 0 1 398.463 3.939 20 5 GHBDMN CCC[C@@H](O)CN1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC001190348252 917277107 /nfs/dbraw/zinc/27/71/07/917277107.db2.gz KEMYLZFMASUMGV-MRXNPFEDSA-N 0 1 389.521 3.602 20 5 GHBDMN CCC1(CC)[C@H](OC)C[C@@H]1N(C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001191744145 918193100 /nfs/dbraw/zinc/19/31/00/918193100.db2.gz ZDAHOOFPKRXIBF-JKSUJKDBSA-N 0 1 383.876 3.712 20 5 GHBDMN CCN(CC)C(=O)c1ccc(CN[C@@H](C)c2cc(OC)cc([N+](=O)[O-])c2)cc1 ZINC000903067456 922742962 /nfs/dbraw/zinc/74/29/62/922742962.db2.gz QKVRQORNIBGSTN-HNNXBMFYSA-N 0 1 385.464 3.936 20 5 GHBDMN COc1cc([C@@H](C)N[C@H](C)c2ccc(N3CCCNC3=O)cc2)cc([N+](=O)[O-])c1 ZINC000903175677 922832614 /nfs/dbraw/zinc/83/26/14/922832614.db2.gz UQVXNKJYUDNBIP-HUUCEWRRSA-N 0 1 398.463 3.935 20 5 GHBDMN O=[N+]([O-])c1ccn(C2CCN(Cc3cnc(-c4cccs4)s3)CC2)n1 ZINC000369588060 923462992 /nfs/dbraw/zinc/46/29/92/923462992.db2.gz XCMUMNPEZNLKSP-UHFFFAOYSA-N 0 1 375.479 3.813 20 5 GHBDMN CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000410049792 925285988 /nfs/dbraw/zinc/28/59/88/925285988.db2.gz QBJCGZXVLXTBEL-QGZVFWFLSA-N 0 1 387.505 3.859 20 5 GHBDMN C[C@@H](NC/C=C\c1ccccc1[N+](=O)[O-])C(=O)Nc1cccc(N2CCCC2)c1 ZINC000726606081 926760277 /nfs/dbraw/zinc/76/02/77/926760277.db2.gz SKYIXLLWBWLGSF-NBEHIINDSA-N 0 1 394.475 3.825 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2nc(CN3CCC[C@@](CO)(c4ccccc4)C3)co2)cc1 ZINC000374557298 927281093 /nfs/dbraw/zinc/28/10/93/927281093.db2.gz PUCYYQJOMFPXTL-JOCHJYFZSA-N 0 1 393.443 3.776 20 5 GHBDMN Cc1c(CN2CC[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000750057866 927409415 /nfs/dbraw/zinc/40/94/15/927409415.db2.gz VSGWOYUSMBOOOJ-SJORKVTESA-N 0 1 375.469 3.877 20 5 GHBDMN Cc1cc(Cl)c(S(=O)(=O)Nc2ccnn2-c2ccccc2)cc1[N+](=O)[O-] ZINC000752196603 928675887 /nfs/dbraw/zinc/67/58/87/928675887.db2.gz YAIJTEGYKRDEOZ-UHFFFAOYSA-N 0 1 392.824 3.543 20 5 GHBDMN CC(C)(C(=O)Nc1nc(-c2ccc(Cl)cc2)n[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000544327313 929056305 /nfs/dbraw/zinc/05/63/05/929056305.db2.gz LNAAQWFSEJCURX-UHFFFAOYSA-N 0 1 385.811 3.950 20 5 GHBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(-c2nc(C)co2)c1 ZINC000467926735 929599716 /nfs/dbraw/zinc/59/97/16/929599716.db2.gz JSPNOYKYPKSPTI-UHFFFAOYSA-N 0 1 387.417 3.921 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000469503088 929948900 /nfs/dbraw/zinc/94/89/00/929948900.db2.gz JBJLGRSFTNKVBY-KRWDZBQOSA-N 0 1 395.381 3.955 20 5 GHBDMN CN1CCN(c2ccccc2-c2noc(/C=C/c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000546429142 930157155 /nfs/dbraw/zinc/15/71/55/930157155.db2.gz PVESWNSQIDADDC-MDZDMXLPSA-N 0 1 391.431 3.567 20 5 GHBDMN COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000470386459 930576214 /nfs/dbraw/zinc/57/62/14/930576214.db2.gz INKNHZNIAHYLCO-SNVBAGLBSA-N 0 1 380.784 3.620 20 5 GHBDMN CCCc1[nH]nc(C(=O)N2CCC(=Cc3ccc(F)c(F)c3)CC2)c1[N+](=O)[O-] ZINC000470594124 930738184 /nfs/dbraw/zinc/73/81/84/930738184.db2.gz IBPPHYONLONEKY-UHFFFAOYSA-N 0 1 390.390 3.868 20 5 GHBDMN C[C@H]1c2c(F)cccc2CCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000782498102 931242776 /nfs/dbraw/zinc/24/27/76/931242776.db2.gz GMMCTGKQJOTTFE-LBPRGKRZSA-N 0 1 375.375 3.821 20 5 GHBDMN CCOCc1cccc(NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)c1 ZINC000783824377 931668754 /nfs/dbraw/zinc/66/87/54/931668754.db2.gz RPGMQWIRYQQRSU-UHFFFAOYSA-N 0 1 384.841 3.894 20 5 GHBDMN Cc1ccc([C@H](C)NC(=O)N(C)CCCN(C)Cc2ccco2)cc1[N+](=O)[O-] ZINC000557884225 931738449 /nfs/dbraw/zinc/73/84/49/931738449.db2.gz PQRANXBWQUJPGG-INIZCTEOSA-N 0 1 388.468 3.721 20 5 GHBDMN Cc1cc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])ccc1N1CCN(C)CC1 ZINC001115818921 933211579 /nfs/dbraw/zinc/21/15/79/933211579.db2.gz NXWIODJOHLSLNE-UHFFFAOYSA-N 0 1 388.855 3.561 20 5 GHBDMN O=C(N[C@@H](CN1CCCC1)c1ccccc1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000777929836 934214687 /nfs/dbraw/zinc/21/46/87/934214687.db2.gz FALUDTLKIATNTN-SFHVURJKSA-N 0 1 389.402 3.640 20 5 GHBDMN CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CCN(C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000561683472 934363666 /nfs/dbraw/zinc/36/36/66/934363666.db2.gz HWWCDNGHGDDLMH-ZWKOTPCHSA-N 0 1 385.468 3.518 20 5 GHBDMN CC(C)(c1nc(Cc2nnc(-c3ccccc3)[nH]2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000562217541 934766357 /nfs/dbraw/zinc/76/63/57/934766357.db2.gz QOUXRKNADCMCBM-UHFFFAOYSA-N 0 1 390.403 3.680 20 5 GHBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H]1CC2(CCC2)Oc2ccccc21 ZINC000932216928 934852486 /nfs/dbraw/zinc/85/24/86/934852486.db2.gz AZVINAWQMZYJNU-INIZCTEOSA-N 0 1 381.432 3.878 20 5 GHBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2C[C@H](C)C[C@@H](C(=O)[O-])C2)cc1OC ZINC001589459098 954857625 /nfs/dbraw/zinc/85/76/25/954857625.db2.gz VZRZLXDXUZXTMJ-SQWLQELKSA-N 0 1 394.468 3.571 20 5 GHBDMN N[C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)NCC1Oc2ccccc2O1 ZINC001220708777 1032076896 /nfs/dbraw/zinc/07/68/96/1032076896.db2.gz HCEAEAKKHGRQKM-NRFANRHFSA-N 0 1 398.462 3.777 20 5 GHBDMN O=C(C=Cc1ccc([N+](=O)[O-])cc1)Nc1nc(-c2ccc3ccccc3n2)n[nH]1 ZINC000820139823 1014953973 /nfs/dbraw/zinc/95/39/73/1014953973.db2.gz RLTLRKPBDSDXLF-KPKJPENVSA-N 0 1 386.371 3.580 20 5 GHBDMN O=[N+]([O-])c1cc2c(ncnc2N2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)s1 ZINC000367839478 1015047862 /nfs/dbraw/zinc/04/78/62/1015047862.db2.gz BDFJQAUJGNJNSP-CYBMUJFWSA-N 0 1 393.432 3.726 20 5 GHBDMN O=[N+]([O-])c1cc2c(ncnc2N2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)s1 ZINC000367839478 1015047873 /nfs/dbraw/zinc/04/78/73/1015047873.db2.gz BDFJQAUJGNJNSP-CYBMUJFWSA-N 0 1 393.432 3.726 20 5 GHBDMN CCc1ccc([C@@H](NCCc2cn3c(n2)SCC3)c2ccc([N+](=O)[O-])cc2)o1 ZINC000468039763 1015180628 /nfs/dbraw/zinc/18/06/28/1015180628.db2.gz DHSXVUQOOUSVOB-IBGZPJMESA-N 0 1 398.488 3.974 20 5 GHBDMN CC(C)[C@@H]1c2ccccc2CC[N@@H+]1Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001591105419 991733271 /nfs/dbraw/zinc/73/32/71/991733271.db2.gz SLRMPDJCPTZVQY-OAQYLSRUSA-N 0 1 384.432 3.814 20 5 GHBDMN CC(C)Oc1ccc(-c2noc(-c3cc(-c4cccc([N+](=O)[O-])c4)n[nH]3)n2)cn1 ZINC001212995387 1032288304 /nfs/dbraw/zinc/28/83/04/1032288304.db2.gz XDMIBRUIYGJFTP-UHFFFAOYSA-N 0 1 392.375 3.884 20 5 GHBDMN O=[N+]([O-])c1cc(OC(F)(F)F)ccc1O[C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001227602952 1032480479 /nfs/dbraw/zinc/48/04/79/1032480479.db2.gz CLXZHPKHYIQWRP-JOCQHMNTSA-N 0 1 390.358 3.516 20 5 GHBDMN COc1ccc(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1C(C)(C)C ZINC001204305499 1032746389 /nfs/dbraw/zinc/74/63/89/1032746389.db2.gz CGKDMIZCYVGKRF-MRXNPFEDSA-N 0 1 384.480 3.982 20 5 GHBDMN Cc1nc2c(n1[C@H]1CCN(C(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)C1)CCCC2 ZINC000568828950 1019448816 /nfs/dbraw/zinc/44/88/16/1019448816.db2.gz FTGKBQJCZCVBTC-HNNXBMFYSA-N 0 1 393.447 3.547 20 5 GHBDMN Cc1ccc(C[C@H]2CCCN(C(=O)c3[nH]nc4ccc([N+](=O)[O-])cc43)C2)cc1 ZINC000571591407 1019691651 /nfs/dbraw/zinc/69/16/51/1019691651.db2.gz HKMLBMTWRANPKA-MRXNPFEDSA-N 0 1 378.432 3.874 20 5 GHBDMN CCCC[N@@H+](CC)Cc1cccc(CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])c1 ZINC001137292300 1021822248 /nfs/dbraw/zinc/82/22/48/1021822248.db2.gz VWCAZUGBGZYNFF-UHFFFAOYSA-N 0 1 385.464 3.852 20 5 GHBDMN CC(C)(CCC(=O)OC[C@@H]1CCCN(Cc2cc(F)ccc2F)C1)[N+](=O)[O-] ZINC000835153508 1021929853 /nfs/dbraw/zinc/92/98/53/1021929853.db2.gz QODZZPRHRVVDSU-CQSZACIVSA-N 0 1 384.423 3.556 20 5 GHBDMN O=c1oc2ccccc2c(O[C@@H]2CCCN(Cc3ccccc3F)C2)c1[N+](=O)[O-] ZINC001228808009 1033109625 /nfs/dbraw/zinc/10/96/25/1033109625.db2.gz WGWRANHOAFGEBW-OAHLLOKOSA-N 0 1 398.390 3.884 20 5 GHBDMN O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)NCC2(C(F)(F)F)CC2)c1Cl ZINC000831516291 1024612054 /nfs/dbraw/zinc/61/20/54/1024612054.db2.gz DRULPIPVPBWBGX-UHFFFAOYSA-N 0 1 393.170 3.522 20 5 GHBDMN O=C1C[C@H]2C[C@H](Oc3ccc(/C=C/[N+](=O)[O-])cc3)[C@@H](C1)N2Cc1ccccc1 ZINC001229116801 1033287341 /nfs/dbraw/zinc/28/73/41/1033287341.db2.gz XTOHRNZXDRUNQP-ZRYMVCCCSA-N 0 1 378.428 3.687 20 5 GHBDMN CC(C)(C)OC(=O)N1CC[C@@H](CCN2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000839530214 1026017558 /nfs/dbraw/zinc/01/75/58/1026017558.db2.gz NWKQRSLFLSKKPE-OAHLLOKOSA-N 0 1 375.469 3.600 20 5 GHBDMN COc1ccc(Cn2ccc(Nc3nc4c(cc3[N+](=O)[O-])CCCC4)n2)cc1 ZINC001163112077 1026048504 /nfs/dbraw/zinc/04/85/04/1026048504.db2.gz CRTUZWIQJJBAJD-UHFFFAOYSA-N 0 1 379.420 3.866 20 5 GHBDMN COCCN1[C@H](C)CN(c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H]1C ZINC001163590836 1026243491 /nfs/dbraw/zinc/24/34/91/1026243491.db2.gz MBKZUOLKOVAIIM-PHIMTYICSA-N 0 1 395.809 3.812 20 5 GHBDMN Cc1ccc(-c2ccc(N3CCN(C)C[C@H]3c3ccccc3)nn2)cc1[N+](=O)[O-] ZINC001163671279 1026275711 /nfs/dbraw/zinc/27/57/11/1026275711.db2.gz BABHBECJOQXQIY-NRFANRHFSA-N 0 1 389.459 3.853 20 5 GHBDMN CC(C)(C)c1ccc(-c2nnc(SCc3cc(O)ccc3[N+](=O)[O-])n2N)cc1 ZINC001164480643 1026523255 /nfs/dbraw/zinc/52/32/55/1026523255.db2.gz HKPCHXOJQUBEON-UHFFFAOYSA-N 0 1 399.476 3.863 20 5 GHBDMN CN(Cc1nc2ccc(C(F)(F)F)cc2[nH]1)C(=O)c1ccccc1[N+](=O)[O-] ZINC001166307632 1026969835 /nfs/dbraw/zinc/96/98/35/1026969835.db2.gz NPGCWFXMGBYADX-UHFFFAOYSA-N 0 1 378.310 3.762 20 5 GHBDMN O=[N+]([O-])c1cc2cnn(CN3CCCC[C@@H]3[C@@H]3CCC[C@@H]3O)c2c(Cl)c1 ZINC000840116594 1027225824 /nfs/dbraw/zinc/22/58/24/1027225824.db2.gz PYCLLDGCAPVSJV-UAGQMJEPSA-N 0 1 378.860 3.571 20 5 GHBDMN CNC(=O)c1cc(Oc2cccc(Nc3ccc(O)c([N+](=O)[O-])c3)c2)ccn1 ZINC001210397449 1027487934 /nfs/dbraw/zinc/48/79/34/1027487934.db2.gz AMSPQJDDJAABOI-UHFFFAOYSA-N 0 1 380.360 3.591 20 5 GHBDMN Cc1nc([C@H]2CCN(c3cc(Cl)c(C(F)(F)F)cc3[N+](=O)[O-])C2)n[nH]1 ZINC000840378167 1027496684 /nfs/dbraw/zinc/49/66/84/1027496684.db2.gz QPAVITBRQSORGH-QMMMGPOBSA-N 0 1 375.738 3.687 20 5 GHBDMN Cc1nnc([C@H]2CCN(c3cc(Cl)c(C(F)(F)F)cc3[N+](=O)[O-])C2)[nH]1 ZINC000840378167 1027496689 /nfs/dbraw/zinc/49/66/89/1027496689.db2.gz QPAVITBRQSORGH-QMMMGPOBSA-N 0 1 375.738 3.687 20 5 GHBDMN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ncc(Br)cc1O ZINC001142258438 1028507365 /nfs/dbraw/zinc/50/73/65/1028507365.db2.gz HGKDXYSFDRNTPJ-UHFFFAOYSA-N 0 1 394.225 3.509 20 5 GHBDMN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCCS(=O)(=O)Cc1ccccc1)CCCC2 ZINC000841746268 1028909001 /nfs/dbraw/zinc/90/90/01/1028909001.db2.gz XFAGXPAYHJMZJX-FQEVSTJZSA-N 0 1 388.489 3.567 20 5 GHBDMN Cc1cc(-c2nc(-c3ncccc3/C=C/N3CCCC3)no2)c([N+](=O)[O-])c(C)n1 ZINC001215023367 1028998742 /nfs/dbraw/zinc/99/87/42/1028998742.db2.gz VMKRFMFFJOXKRD-YRNVUSSQSA-N 0 1 392.419 3.785 20 5 GHBDMN COc1cc(-c2nc(-c3ncccc3/C=C/N3CCCC3)no2)ccc1[N+](=O)[O-] ZINC001215414148 1029195806 /nfs/dbraw/zinc/19/58/06/1029195806.db2.gz PMRRFTXOFAGGFK-XYOKQWHBSA-N 0 1 393.403 3.782 20 5 GHBDMN Cc1ccc(-c2nc(-c3cccc(N4CCN(C)CC4)c3)no2)c([N+](=O)[O-])c1C ZINC001217103869 1030167705 /nfs/dbraw/zinc/16/77/05/1030167705.db2.gz DRUGHFCFXLFGTL-UHFFFAOYSA-N 0 1 393.447 3.680 20 5 GHBDMN O=[N+]([O-])c1cc(CO[C@H]2CCN(Cc3ccc(Cl)cc3)C2)cc([N+](=O)[O-])c1 ZINC001223489936 1030602436 /nfs/dbraw/zinc/60/24/36/1030602436.db2.gz KNSWJBBVDKHJES-SFHVURJKSA-N 0 1 391.811 3.948 20 5 GHBDMN O=C1NCCN1c1ccc(CNCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC001461706350 1069691506 /nfs/dbraw/zinc/69/15/06/1069691506.db2.gz FONDYIMTNBZSBI-UHFFFAOYSA-N 0 1 392.415 3.674 20 5 GHBDMN CCOC(=O)c1ccc(CO[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001223962035 1030829949 /nfs/dbraw/zinc/82/99/49/1030829949.db2.gz DMKUMDGTMORGIM-FQEVSTJZSA-N 0 1 398.459 3.953 20 5 GHBDMN O=[N+]([O-])c1ccc(OCCO[C@H]2CCN(Cc3ccccc3Cl)C2)cc1 ZINC001224778054 1031115025 /nfs/dbraw/zinc/11/50/25/1031115025.db2.gz JCBWVGSCKHJIED-SFHVURJKSA-N 0 1 376.840 3.918 20 5 GHBDMN N[C@H](Cc1ccnc2ccccc12)C(=O)Nc1cc2cccnc2c2ncccc12 ZINC001218980073 1031191778 /nfs/dbraw/zinc/19/17/78/1031191778.db2.gz QWDIFEQGWPJAQB-LJQANCHMSA-N 0 1 393.450 3.840 20 5 GHBDMN CC(C)(C)OC(=O)N1CCC2(CC(Oc3cc(O)ccc3[N+](=O)[O-])C2)CC1 ZINC001225488514 1031437367 /nfs/dbraw/zinc/43/73/67/1031437367.db2.gz HEBYJCVQLUEVNM-UHFFFAOYSA-N 0 1 378.425 3.859 20 5 GHBDMN N=C(NC(=O)[C@@H](N)Cc1c2ccccc2cc2ccccc21)c1ccc(F)cn1 ZINC001220170256 1031815338 /nfs/dbraw/zinc/81/53/38/1031815338.db2.gz FKVIIUGVGPVNIP-FQEVSTJZSA-N 0 1 386.430 3.539 20 5 GHBDMN O=[N+]([O-])c1ccc2c(c1)ncnc2O[C@@H]1CCCN(Cc2ccccc2F)C1 ZINC001229403888 1033462393 /nfs/dbraw/zinc/46/23/93/1033462393.db2.gz RRLPRHQVQZSDSX-MRXNPFEDSA-N 0 1 382.395 3.721 20 5 GHBDMN O=C1CCc2cc(-c3noc(-c4cc(-c5ccc([N+](=O)[O-])cc5)n[nH]4)n3)ccc21 ZINC001213008565 1033596097 /nfs/dbraw/zinc/59/60/97/1033596097.db2.gz QUOHSCCPBXUYHW-UHFFFAOYSA-N 0 1 387.355 3.831 20 5 GHBDMN COC(=O)c1ccc(C)c([N+](=O)[O-])c1OC(C(=O)c1ccco1)c1ccco1 ZINC001229899705 1033782749 /nfs/dbraw/zinc/78/27/49/1033782749.db2.gz NZXVNFQKKISXFG-SFHVURJKSA-N 0 1 385.328 3.879 20 5 GHBDMN COC(=O)c1ccc(C)c([N+](=O)[O-])c1O[C@H](C(=O)c1ccco1)c1ccco1 ZINC001229899705 1033782755 /nfs/dbraw/zinc/78/27/55/1033782755.db2.gz NZXVNFQKKISXFG-SFHVURJKSA-N 0 1 385.328 3.879 20 5 GHBDMN C[C@@H](Oc1nc2cccc(N3CCN(C)CC3)c2o1)c1cccc([N+](=O)[O-])c1 ZINC001230103585 1033900118 /nfs/dbraw/zinc/90/01/18/1033900118.db2.gz KQLGLRNKPOMWSE-CQSZACIVSA-N 0 1 382.420 3.628 20 5 GHBDMN Cc1c(CN[C@H](C)C(=O)Nc2cccc(N3CCCC3)c2)cccc1[N+](=O)[O-] ZINC001207369293 1034310378 /nfs/dbraw/zinc/31/03/78/1034310378.db2.gz GQCSUIQEXGVLSE-MRXNPFEDSA-N 0 1 382.464 3.620 20 5 GHBDMN C[C@@H](c1nc2ccc(Cl)cc2[nH]1)N(C)C(=O)COc1ccccc1[N+](=O)[O-] ZINC001158880667 1034316423 /nfs/dbraw/zinc/31/64/23/1034316423.db2.gz BTKLSIFSOVHPDJ-NSHDSACASA-N 0 1 388.811 3.723 20 5 GHBDMN Cc1ccc(-c2ccc(NCCN3CCC(F)(F)CC3)nn2)cc1[N+](=O)[O-] ZINC001160751870 1035056212 /nfs/dbraw/zinc/05/62/12/1035056212.db2.gz DACOGKYSZORXFE-UHFFFAOYSA-N 0 1 377.395 3.503 20 5 GHBDMN O=[N+]([O-])c1ccc2ncc(N[C@H]3CCN(Cc4cccc(Cl)c4)C3)nc2c1 ZINC001161181673 1035169438 /nfs/dbraw/zinc/16/94/38/1035169438.db2.gz BQRDRCDEYNJLLM-HNNXBMFYSA-N 0 1 383.839 3.878 20 5 GHBDMN Cc1cnc(O[C@@H]2CCCN(Cc3ccc4ccc5cccnc5c4n3)C2)nc1 ZINC001232227689 1035173388 /nfs/dbraw/zinc/17/33/88/1035173388.db2.gz LOWOFSAJWXJPLM-HXUWFJFHSA-N 0 1 385.471 3.925 20 5 GHBDMN O=[N+]([O-])c1ccccc1Cc1nc(-c2ncccc2/C=C/N2CCCC2)no1 ZINC001247577107 1038256042 /nfs/dbraw/zinc/25/60/42/1038256042.db2.gz MFZJPKNAWWUKHA-UKTHLTGXSA-N 0 1 377.404 3.697 20 5 GHBDMN C[C@@H](c1nc(-c2ccccc2N2CCN(C)CC2)no1)c1ccc([N+](=O)[O-])cc1 ZINC001247605324 1038273000 /nfs/dbraw/zinc/27/30/00/1038273000.db2.gz YKLVGWXXZJDOHI-OAHLLOKOSA-N 0 1 393.447 3.548 20 5 GHBDMN [NH3+][C@@H](Cc1ccccc1[N+](=O)[O-])c1nc(-c2ccc3[n-]c(=S)sc3c2)no1 ZINC001247666542 1038303294 /nfs/dbraw/zinc/30/32/94/1038303294.db2.gz PRHWXGADOQKZHE-NSHDSACASA-N 0 1 399.457 3.786 20 5 GHBDMN COc1cc(CC[N+](=O)[O-])ccc1O[C@H]1CCCN(Cc2ccccc2F)C1 ZINC001233984162 1039742580 /nfs/dbraw/zinc/74/25/80/1039742580.db2.gz DNZAVJURSLDHRR-SFHVURJKSA-N 0 1 388.439 3.697 20 5 GHBDMN COC(=O)c1ccc(O[C@H]2CC[N@@H+](Cc3ccccc3Cl)C2)cc1[N+](=O)[O-] ZINC001234057321 1039791144 /nfs/dbraw/zinc/79/11/44/1039791144.db2.gz LBXMMVHVJUTXSI-HNNXBMFYSA-N 0 1 390.823 3.688 20 5 GHBDMN COC(=O)c1ccc(O[C@H]2CCN(Cc3ccccc3Cl)C2)cc1[N+](=O)[O-] ZINC001234057321 1039791164 /nfs/dbraw/zinc/79/11/64/1039791164.db2.gz LBXMMVHVJUTXSI-HNNXBMFYSA-N 0 1 390.823 3.688 20 5 GHBDMN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001254553769 1040322715 /nfs/dbraw/zinc/32/27/15/1040322715.db2.gz YVLVROGSTBOGQF-MRXNPFEDSA-N 0 1 389.496 3.859 20 5 GHBDMN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCN(c2ccc3ccccc3n2)CC1 ZINC001254558674 1040329158 /nfs/dbraw/zinc/32/91/58/1040329158.db2.gz HWFASUZHOITZBF-KRWDZBQOSA-N 0 1 376.460 3.896 20 5 GHBDMN C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](N2Cc3c(cccc3F)C2=O)C1 ZINC001254567960 1040343591 /nfs/dbraw/zinc/34/35/91/1040343591.db2.gz DININMIOLZKYEY-DOTOQJQBSA-N 0 1 397.450 3.785 20 5 GHBDMN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCC[C@@H](N2Cc3c(cccc3F)C2=O)C1 ZINC001254567960 1040343604 /nfs/dbraw/zinc/34/36/04/1040343604.db2.gz DININMIOLZKYEY-DOTOQJQBSA-N 0 1 397.450 3.785 20 5 GHBDMN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCC[C@@H](NC(=O)c2cccc(F)c2)C1 ZINC001254570856 1040347867 /nfs/dbraw/zinc/34/78/67/1040347867.db2.gz QCWGJBLLANTEMI-DNVCBOLYSA-N 0 1 385.439 3.559 20 5 GHBDMN COc1ccc(Cl)cc1N1CCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254603736 1040374634 /nfs/dbraw/zinc/37/46/34/1040374634.db2.gz QMJBNPFCZPBSTR-GOSISDBHSA-N 0 1 387.867 3.546 20 5 GHBDMN COc1ccc(Cl)cc1N1CCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254603737 1040375168 /nfs/dbraw/zinc/37/51/68/1040375168.db2.gz QMJBNPFCZPBSTR-SFHVURJKSA-N 0 1 387.867 3.546 20 5 GHBDMN COc1cc(N2CCC(NCc3c(F)cc(F)cc3F)CC2)ccc1[N+](=O)[O-] ZINC001256087646 1041517526 /nfs/dbraw/zinc/51/75/26/1041517526.db2.gz IYTYQMXBGRCTFU-UHFFFAOYSA-N 0 1 395.381 3.779 20 5 GHBDMN C[C@@H]1C[C@@]2(CC[C@H](CNCc3cc(Cl)cc(Cl)c3[N+](=O)[O-])O2)CO1 ZINC001462594486 1070398718 /nfs/dbraw/zinc/39/87/18/1070398718.db2.gz YMMVGDUTZOORNI-ZXIHIIQKSA-N 0 1 375.252 3.718 20 5 GHBDMN Cc1cncc([N+](=O)[O-])c1NC[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001258125807 1044412851 /nfs/dbraw/zinc/41/28/51/1044412851.db2.gz ZRGWWVTYEPRRRF-FZKQIMNGSA-N 0 1 378.835 3.618 20 5 GHBDMN Cc1ccc(-c2nnc(-c3cc([N+](=O)[O-])cc(N4CCN(C)CC4)c3)o2)cc1F ZINC001258800072 1044768406 /nfs/dbraw/zinc/76/84/06/1044768406.db2.gz OFTKJKVKBZPLOH-UHFFFAOYSA-N 0 1 397.410 3.511 20 5 GHBDMN COc1ccc(S(=O)(=O)Nc2cc3cccnc3c3ncccc23)c(OC)c1 ZINC001258960331 1044907997 /nfs/dbraw/zinc/90/79/97/1044907997.db2.gz OGMRJCUUIUKPEF-UHFFFAOYSA-N 0 1 395.440 3.601 20 5 GHBDMN CC(C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C2CCC2)CC1 ZINC001303073076 1047271380 /nfs/dbraw/zinc/27/13/80/1047271380.db2.gz LSXRCZAGLYOJIY-UHFFFAOYSA-N 0 1 398.511 3.574 20 5 GHBDMN O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1ccc(C(F)(F)F)cc1O ZINC001303180492 1047306571 /nfs/dbraw/zinc/30/65/71/1047306571.db2.gz KIUBJYKIDCAYOZ-UHFFFAOYSA-N 0 1 392.293 3.962 20 5 GHBDMN CC(C)c1cc([C@H]2CCCN(C(=O)CCC(=O)c3cccc([N+](=O)[O-])c3)C2)n[nH]1 ZINC001303319988 1047359245 /nfs/dbraw/zinc/35/92/45/1047359245.db2.gz IWYLJNJRHNGVOH-INIZCTEOSA-N 0 1 398.463 3.810 20 5 GHBDMN CC[C@@H]1CN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC[C@@H]1c1ccccc1 ZINC001307519139 1049362792 /nfs/dbraw/zinc/36/27/92/1049362792.db2.gz AXEKADNEIWANIY-UTKZUKDTSA-N 0 1 393.487 4.000 20 5 GHBDMN CN1CCN(Cc2cc(O)ccc2[N+](=O)[O-])c2ccc(Br)cc21 ZINC001307758958 1049572768 /nfs/dbraw/zinc/57/27/68/1049572768.db2.gz CRNARJJNFHLCAJ-UHFFFAOYSA-N 0 1 378.226 3.519 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1[C@H](C)C[C@@H](c2ccccc2)[C@H]1C ZINC001307804105 1049603415 /nfs/dbraw/zinc/60/34/15/1049603415.db2.gz ZDLYGVJDVRSVQA-IIDMSEBBSA-N 0 1 383.448 3.808 20 5 GHBDMN CC(C)c1cc([C@@H]2CCCN([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)[nH]n1 ZINC001308053974 1049802282 /nfs/dbraw/zinc/80/22/82/1049802282.db2.gz BLLGDUDWBHLFLZ-LSDHHAIUSA-N 0 1 385.468 3.648 20 5 GHBDMN NC(=O)Cc1ccc(CNCc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)cc1 ZINC001327572957 1050220059 /nfs/dbraw/zinc/22/00/59/1050220059.db2.gz CFLAWZWOJPIPTH-UHFFFAOYSA-N 0 1 399.834 3.826 20 5 GHBDMN C[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccc(F)cc1OC(F)F ZINC001319800309 1055476237 /nfs/dbraw/zinc/47/62/37/1055476237.db2.gz FYRJQOALGXOJAH-QMMMGPOBSA-N 0 1 394.309 3.703 20 5 GHBDMN CC(C)(C)OC(=O)N1CCC[C@H](CCN2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001321446816 1056267951 /nfs/dbraw/zinc/26/79/51/1056267951.db2.gz TUODZPHTMUBERB-MRXNPFEDSA-N 0 1 389.496 3.990 20 5 GHBDMN C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC001441447217 1058784182 /nfs/dbraw/zinc/78/41/82/1058784182.db2.gz OSGOUYQZDQZUOE-IYBDPMFKSA-N 0 1 397.475 3.708 20 5 GHBDMN CC1CCC(Oc2cc(CNC(=O)c3cc(O)cc([N+](=O)[O-])c3)ccn2)CC1 ZINC001444169755 1059275942 /nfs/dbraw/zinc/27/59/42/1059275942.db2.gz DWNRCOFOYBOWJO-UHFFFAOYSA-N 0 1 385.420 3.583 20 5 GHBDMN Cc1ccc2nc([C@H]3CCCN(C(=O)Cc4cccc(F)c4[N+](=O)[O-])C3)[nH]c2c1 ZINC001446587893 1059812045 /nfs/dbraw/zinc/81/20/45/1059812045.db2.gz BGNUBFCKHJMNGJ-HNNXBMFYSA-N 0 1 396.422 3.867 20 5 GHBDMN CC[C@@H](C)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CC1 ZINC001449628836 1060435247 /nfs/dbraw/zinc/43/52/47/1060435247.db2.gz XMAQCSDVLNCOBH-MRXNPFEDSA-N 0 1 383.448 3.943 20 5 GHBDMN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(Nc2ccncc2)cc1 ZINC001452747421 1061000871 /nfs/dbraw/zinc/00/08/71/1061000871.db2.gz MLGXUROOZJKYAE-UHFFFAOYSA-N 0 1 382.807 3.990 20 5 GHBDMN Cc1ccc2nc(CNC(=O)c3cc(C(F)(F)F)ccc3[N+](=O)[O-])[nH]c2c1 ZINC001361109391 1061618151 /nfs/dbraw/zinc/61/81/51/1061618151.db2.gz WVQYWZWBZQYYMR-UHFFFAOYSA-N 0 1 378.310 3.728 20 5 GHBDMN CC[C@H](c1ccccc1)N1CCN(C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC001456992977 1062941582 /nfs/dbraw/zinc/94/15/82/1062941582.db2.gz WKJXWRVLDBBAKZ-LAUBAEHRSA-N 0 1 381.476 3.994 20 5 GHBDMN Cc1cccc(N2CCN(CCCNc3c(F)cc([N+](=O)[O-])cc3F)CC2)c1 ZINC001458087946 1063556316 /nfs/dbraw/zinc/55/63/16/1063556316.db2.gz YZNSIDGPOHQCII-UHFFFAOYSA-N 0 1 390.434 3.806 20 5 GHBDMN O=[N+]([O-])c1cnc2ccc(Cl)cc2c1NC[C@@H]1CCN1Cc1ccccc1 ZINC001458497645 1063848257 /nfs/dbraw/zinc/84/82/57/1063848257.db2.gz BQDGVXBZXCPFCQ-INIZCTEOSA-N 0 1 382.851 3.905 20 5 GHBDMN CC[C@@H](NCC(=O)Nc1ccc2c(c1)OC(F)(F)O2)c1cccc([N+](=O)[O-])c1 ZINC001459862368 1064246406 /nfs/dbraw/zinc/24/64/06/1064246406.db2.gz BFGIRFVKCOUHTN-CQSZACIVSA-N 0 1 393.346 3.596 20 5 GHBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCC1(Cc2ccccc2)CCCC1 ZINC001463423684 1064338022 /nfs/dbraw/zinc/33/80/22/1064338022.db2.gz UOAHYIYAUZOVCF-UHFFFAOYSA-N 0 1 392.452 3.815 20 5 GHBDMN CC1(C)C(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1(C)C ZINC001463580261 1064477653 /nfs/dbraw/zinc/47/76/53/1064477653.db2.gz VYIOZYKOWWBQDB-UHFFFAOYSA-N 0 1 381.281 3.862 20 5 GHBDMN COC(=O)[C@]12CN(Cc3c(Br)cccc3[N+](=O)[O-])C[C@H]1CCCC2 ZINC001460314411 1068920732 /nfs/dbraw/zinc/92/07/32/1068920732.db2.gz STFTYGJOKARKFU-SJKOYZFVSA-N 0 1 397.269 3.523 20 5 GHBDMN CC(C)(C)OC(=O)NCC[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001460879707 1069248628 /nfs/dbraw/zinc/24/86/28/1069248628.db2.gz IWQBUURJSCBKDB-CYBMUJFWSA-N 0 1 383.876 3.985 20 5 GHBDMN CCOc1cc(NCC2(CN3CCOCC3)CCCCC2)ccc1[N+](=O)[O-] ZINC001472720256 1073634431 /nfs/dbraw/zinc/63/44/31/1073634431.db2.gz HOHOMEOMHMMMBC-UHFFFAOYSA-N 0 1 377.485 3.688 20 5 GHBDMN CCn1c(=O)c2cc3ccccc3cc2nc1SC[C@H](C)CN1CCOCC1 ZINC001472953966 1073733989 /nfs/dbraw/zinc/73/39/89/1073733989.db2.gz XEEIKSUDVXVJRN-MRXNPFEDSA-N 0 1 397.544 3.630 20 5 GHBDMN CC1(C)CN(Cc2c(F)cc([N+](=O)[O-])cc2F)CCN1Cc1ccccc1 ZINC001473154061 1073813248 /nfs/dbraw/zinc/81/32/48/1073813248.db2.gz ONZCTKNEYPXNAS-UHFFFAOYSA-N 0 1 375.419 3.969 20 5 GHBDMN CCCN(CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC001473175653 1073832897 /nfs/dbraw/zinc/83/28/97/1073832897.db2.gz NDTCUEVYLRHOEO-RTBURBONSA-N 0 1 389.496 3.983 20 5 GHBDMN CN(Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)[C@@H](CO)CC(C)(C)C ZINC001473476777 1073982937 /nfs/dbraw/zinc/98/29/37/1073982937.db2.gz UWGCRQPFXQLFJP-GFCCVEGCSA-N 0 1 382.848 3.527 20 5 GHBDMN COc1ccc(NC(=O)CN2[C@H](C)C[C@H](c3ccccc3)[C@H]2C)c([N+](=O)[O-])c1 ZINC001473506987 1073993515 /nfs/dbraw/zinc/99/35/15/1073993515.db2.gz QWWICQYPDQLRGZ-RKVPGOIHSA-N 0 1 383.448 3.808 20 5 GHBDMN Cc1ccccc1SC[C@@H](C)CN1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC001473529157 1074003361 /nfs/dbraw/zinc/00/33/61/1074003361.db2.gz SPQNRTKRKLJPOW-INIZCTEOSA-N 0 1 386.521 3.849 20 5 GHBDMN O=C1Nc2ccccc2CC[C@H]1NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC001474195387 1074289489 /nfs/dbraw/zinc/28/94/89/1074289489.db2.gz UGTOMCCDSVDIMX-LJQANCHMSA-N 0 1 377.400 3.898 20 5 GHBDMN CCCCNC(=O)[C@@H]1CCCN(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001474369341 1074368158 /nfs/dbraw/zinc/36/81/58/1074368158.db2.gz GOKBZXHCTYIETF-CQSZACIVSA-N 0 1 387.402 3.742 20 5 GHBDMN CC1(C)C[C@@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCS1 ZINC001475727954 1075009695 /nfs/dbraw/zinc/00/96/95/1075009695.db2.gz HPVAKNOEBCWYCG-VIFPVBQESA-N 0 1 399.321 3.854 20 5 GHBDMN Cc1ccc(C[C@@H](CO)NCc2cc(Br)c([N+](=O)[O-])s2)cc1C ZINC001652611547 1126253601 /nfs/dbraw/zinc/25/36/01/1126253601.db2.gz DVLPZCWDTFKKPB-ZDUSSCGKSA-N 0 1 399.310 3.729 20 5 GHBDMN Cc1c(C(=O)Nc2cc(Cl)ccc2N2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000016002849 207070094 /nfs/dbraw/zinc/07/00/94/207070094.db2.gz WUPSLBMJVBKKRC-UHFFFAOYSA-N 0 1 388.855 3.561 20 5 GHBDMN COc1ccc(C[NH2+][C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000832341529 600742013 /nfs/dbraw/zinc/74/20/13/600742013.db2.gz MUEFDSXDOWOBDI-HNNXBMFYSA-N 0 1 385.203 3.826 20 5 GHBDMN Cc1cc(NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000575991794 602316457 /nfs/dbraw/zinc/31/64/57/602316457.db2.gz DKGRVERFSOFRML-QGZVFWFLSA-N 0 1 383.448 3.578 20 5 GHBDMN Cc1cc(NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000575991793 602316730 /nfs/dbraw/zinc/31/67/30/602316730.db2.gz DKGRVERFSOFRML-KRWDZBQOSA-N 0 1 383.448 3.578 20 5 GHBDMN CC(C)N(C)Cc1cnc2n1CCN(c1ncc([N+](=O)[O-])c3ccccc31)[C@@H]2C ZINC001164859973 720953135 /nfs/dbraw/zinc/95/31/35/720953135.db2.gz ORIFASBXQDPUJU-OAHLLOKOSA-N 0 1 394.479 3.761 20 5 GHBDMN Cc1cc(Br)ccc1NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000120114705 834548581 /nfs/dbraw/zinc/54/85/81/834548581.db2.gz KLANVGCFPKWGAR-UHFFFAOYSA-N 0 1 377.241 3.528 20 5 GHBDMN O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000510072167 834869262 /nfs/dbraw/zinc/86/92/62/834869262.db2.gz UDVVCFUJWMWQHB-QGZVFWFLSA-N 0 1 379.416 3.735 20 5 GHBDMN CC[C@H](C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)N(C)Cc1ccccc1 ZINC000583843867 835134342 /nfs/dbraw/zinc/13/43/42/835134342.db2.gz IHEWIXAYFJJZFA-OAQYLSRUSA-N 0 1 381.476 3.996 20 5 GHBDMN COc1c(F)cc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000187165170 835213192 /nfs/dbraw/zinc/21/31/92/835213192.db2.gz LYXQQANMNAHVOH-UHFFFAOYSA-N 0 1 394.302 3.562 20 5 GHBDMN COc1cc(CN2CCCO[C@H](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000179401307 835667677 /nfs/dbraw/zinc/66/76/77/835667677.db2.gz DQCNGQBAWDRFAY-MRXNPFEDSA-N 0 1 386.448 3.793 20 5 GHBDMN CC(C)(NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1cccc(Cl)c1F ZINC001211611711 835758504 /nfs/dbraw/zinc/75/85/04/835758504.db2.gz MJHZLWDGGUZJOF-UHFFFAOYSA-N 0 1 390.795 3.740 20 5 GHBDMN Cc1c(CN[C@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)cccc1[N+](=O)[O-] ZINC000136682367 836313575 /nfs/dbraw/zinc/31/35/75/836313575.db2.gz YOFKRVHLYUTQQT-INIZCTEOSA-N 0 1 391.353 3.919 20 5 GHBDMN CC[C@@H](NCC(=O)Nc1c(C)cccc1[N+](=O)[O-])c1ccc(OC)c(OC)c1 ZINC000510236762 836906343 /nfs/dbraw/zinc/90/63/43/836906343.db2.gz CNGBSOHLMKFBLV-OAHLLOKOSA-N 0 1 387.436 3.600 20 5 GHBDMN C[C@H](NCC(=O)N(C)Cc1ccc(OC(F)F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180419306 837240876 /nfs/dbraw/zinc/24/08/76/837240876.db2.gz DWDXHQIIKAZZQW-ZDUSSCGKSA-N 0 1 393.390 3.505 20 5 GHBDMN O=C(Nc1ccc2nc(-c3ccccn3)[nH]c2c1)c1ccc(F)cc1[N+](=O)[O-] ZINC000177374893 837944455 /nfs/dbraw/zinc/94/44/55/837944455.db2.gz UYNZAMGNYBIUPS-UHFFFAOYSA-N 0 1 377.335 3.925 20 5 GHBDMN CN(c1ccccc1)c1ccc(CN2CCC[C@@H](CCC(N)=O)C2)cc1[N+](=O)[O-] ZINC000122684446 838113719 /nfs/dbraw/zinc/11/37/19/838113719.db2.gz IOOJKJARBDVOEW-KRWDZBQOSA-N 0 1 396.491 3.840 20 5 GHBDMN COc1ccccc1[C@@H](C)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000103201233 838376496 /nfs/dbraw/zinc/37/64/96/838376496.db2.gz APVRSLCGSXLHHW-LBPRGKRZSA-N 0 1 381.392 3.521 20 5 GHBDMN O=C(NC[C@@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1)Nc1cccc(F)c1 ZINC000104060824 838612505 /nfs/dbraw/zinc/61/25/05/838612505.db2.gz WKTRYCPYKODKSA-HNNXBMFYSA-N 0 1 386.427 3.768 20 5 GHBDMN Cc1cc(NS(=O)(=O)c2ccc(F)cc2Br)ccc1[N+](=O)[O-] ZINC000120175450 839386510 /nfs/dbraw/zinc/38/65/10/839386510.db2.gz SCTQFHRJMXAEHH-UHFFFAOYSA-N 0 1 389.202 3.606 20 5 GHBDMN C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000610446073 839711739 /nfs/dbraw/zinc/71/17/39/839711739.db2.gz OWLNTUBHZDRYMK-OAHLLOKOSA-N 0 1 387.867 3.985 20 5 GHBDMN CCN1CCN(c2ccccc2NC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000047379041 840773695 /nfs/dbraw/zinc/77/36/95/840773695.db2.gz KNKADNQPCUSMMZ-MRXNPFEDSA-N 0 1 397.479 3.619 20 5 GHBDMN COc1cccc(C[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C2CCC(O)CC2)c1 ZINC000092966632 840950472 /nfs/dbraw/zinc/95/04/72/840950472.db2.gz FRVXUBJZBOGQMH-UHFFFAOYSA-N 0 1 386.448 3.615 20 5 GHBDMN C[C@H]1CC[N@@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C[C@@H]1C(=O)[O-] ZINC000581369465 841180772 /nfs/dbraw/zinc/18/07/72/841180772.db2.gz BLIKPSBBQCGVLD-YJBOKZPZSA-N 0 1 383.448 3.905 20 5 GHBDMN COc1cccc([C@@H]2[C@H](Nc3nc4sccn4c3[N+](=O)[O-])CCN2C2CC2)c1 ZINC000302076126 861198337 /nfs/dbraw/zinc/19/83/37/861198337.db2.gz WGZKNTQSNRRMOG-HZPDHXFCSA-N 0 1 399.476 3.703 20 5 GHBDMN CCN1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)C[C@@H]1C ZINC000500111310 841464683 /nfs/dbraw/zinc/46/46/83/841464683.db2.gz IEWWBKLSOMRCLZ-IRXDYDNUSA-N 0 1 396.491 3.762 20 5 GHBDMN Cc1cc(N2CCC[C@@H](c3nnc4ccccn43)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302187024 861235437 /nfs/dbraw/zinc/23/54/37/861235437.db2.gz PVMMXLHNCOEBAH-OAHLLOKOSA-N 0 1 388.431 3.878 20 5 GHBDMN COc1ccccc1CN(CCOc1ccccc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000603848102 861268149 /nfs/dbraw/zinc/26/81/49/861268149.db2.gz LHZZGQSZIFSAND-SFHVURJKSA-N 0 1 386.448 3.663 20 5 GHBDMN CCS(=O)(=O)c1ccc(CN[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc1 ZINC000278993032 842433368 /nfs/dbraw/zinc/43/33/68/842433368.db2.gz FBFYWNKRLQIGLV-LJQANCHMSA-N 0 1 388.489 3.901 20 5 GHBDMN CC[C@@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1OC(F)F ZINC000178206762 842479956 /nfs/dbraw/zinc/47/99/56/842479956.db2.gz BYPAUZIESRFSIA-CYBMUJFWSA-N 0 1 379.363 3.876 20 5 GHBDMN Cc1[nH]nc(C(=O)N2CCCC[C@@H]2c2nc(-c3cccc(F)c3)c[nH]2)c1[N+](=O)[O-] ZINC000276686825 842601431 /nfs/dbraw/zinc/60/14/31/842601431.db2.gz XMBAUCXBQKRZRQ-OAHLLOKOSA-N 0 1 398.398 3.523 20 5 GHBDMN NC(=O)c1ccc(CN[C@H](Cc2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000024734540 842916093 /nfs/dbraw/zinc/91/60/93/842916093.db2.gz WXEXRJRGGAOYAJ-HXUWFJFHSA-N 0 1 375.428 3.767 20 5 GHBDMN COC(=O)C1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000159177261 843023258 /nfs/dbraw/zinc/02/32/58/843023258.db2.gz JWLNPXOROOZSQG-UHFFFAOYSA-N 0 1 378.812 3.893 20 5 GHBDMN COc1ccc2c(c1)N(C(=O)c1cc(-c3ccc([N+](=O)[O-])cc3)n[nH]1)CCC2 ZINC001167877416 843141414 /nfs/dbraw/zinc/14/14/14/843141414.db2.gz VPBLJTXEPJVCAX-UHFFFAOYSA-N 0 1 378.388 3.587 20 5 GHBDMN CCN(CC)C(=O)c1ccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1Cl ZINC000432570480 843176892 /nfs/dbraw/zinc/17/68/92/843176892.db2.gz VOLZAZYPGCDKLF-UHFFFAOYSA-N 0 1 391.811 3.688 20 5 GHBDMN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(C2CCCCC2)CC1 ZINC000482057861 843691473 /nfs/dbraw/zinc/69/14/73/843691473.db2.gz ZECVMMHIGPXQPX-HNNXBMFYSA-N 0 1 377.510 3.552 20 5 GHBDMN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N[C@H]3CCCc4cn[nH]c43)cc2[N+](=O)[O-])C1 ZINC000610833658 844644616 /nfs/dbraw/zinc/64/46/16/844644616.db2.gz MGXKSCYODYKDNW-VBQJREDUSA-N 0 1 397.479 3.608 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N(C)C[C@@H]2CCCO[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000610921150 844851313 /nfs/dbraw/zinc/85/13/13/844851313.db2.gz NOOBBVGAZVOTJG-KXBFYZLASA-N 0 1 386.452 3.681 20 5 GHBDMN CO[C@@H](c1ccccc1Cl)[C@@H](C)NCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000481492598 861516972 /nfs/dbraw/zinc/51/69/72/861516972.db2.gz ICECQMZOEIJOIW-BFUOFWGJSA-N 0 1 391.855 3.861 20 5 GHBDMN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N(C)[C@H]2CCCN(C)C2)cc1 ZINC000151158020 844999728 /nfs/dbraw/zinc/99/97/28/844999728.db2.gz ULDLWORQSFMCTC-INIZCTEOSA-N 0 1 399.447 3.562 20 5 GHBDMN O=C(NCc1ccnc(Oc2ccccc2)c1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000047166313 845128754 /nfs/dbraw/zinc/12/87/54/845128754.db2.gz BAZVIXDMOYGLHQ-UHFFFAOYSA-N 0 1 389.371 3.588 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N(C)Cc2ccccc2OC(F)(F)F)c1[N+](=O)[O-] ZINC000433828008 845443505 /nfs/dbraw/zinc/44/35/05/845443505.db2.gz GGOSBEAKXFSQOE-UHFFFAOYSA-N 0 1 386.330 3.612 20 5 GHBDMN CCCN(Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])C[C@@H]1CCCCO1 ZINC000513503095 845559988 /nfs/dbraw/zinc/55/99/88/845559988.db2.gz LDNFHAHIEQXOKI-AWEZNQCLSA-N 0 1 388.411 3.986 20 5 GHBDMN O=C(Nc1ccc2nc(C3CCC3)[nH]c2c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000119700195 845927635 /nfs/dbraw/zinc/92/76/35/845927635.db2.gz PDQORJPOJVWZDJ-UHFFFAOYSA-N 0 1 381.348 3.899 20 5 GHBDMN C[C@H](N[C@@H]1CCCC[C@H]1OC(F)F)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000502563184 846208712 /nfs/dbraw/zinc/20/87/12/846208712.db2.gz KWQFHDMGTUJYOS-ZLKJLUDKSA-N 0 1 382.367 3.846 20 5 GHBDMN Cc1nsc(N2CCCN(Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)CC2)n1 ZINC000131811140 861708850 /nfs/dbraw/zinc/70/88/50/861708850.db2.gz RTJVWMINPTZLMW-UHFFFAOYSA-N 0 1 399.476 3.727 20 5 GHBDMN C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(-c2c[nH]cn2)cc1 ZINC000503161683 846859695 /nfs/dbraw/zinc/85/96/95/846859695.db2.gz NSZDVVJULBBXCD-UONOGXRCSA-N 0 1 379.420 3.663 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1 ZINC000277573905 847061047 /nfs/dbraw/zinc/06/10/47/847061047.db2.gz LKNNLNPQENDJNA-MRXNPFEDSA-N 0 1 382.376 3.584 20 5 GHBDMN COc1ccccc1[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccco1 ZINC000501642968 847072212 /nfs/dbraw/zinc/07/22/12/847072212.db2.gz TZHWXMVXYCYNIA-GOSISDBHSA-N 0 1 392.371 3.592 20 5 GHBDMN C[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C1(c2ccccc2)CCCC1 ZINC001211548726 847583636 /nfs/dbraw/zinc/58/36/36/847583636.db2.gz FJTVVZNWOLJPEK-CQSZACIVSA-N 0 1 392.452 3.913 20 5 GHBDMN CN(Cc1csc(Br)c1)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000057311134 861955268 /nfs/dbraw/zinc/95/52/68/861955268.db2.gz WDXPGVFYHSAJOY-UHFFFAOYSA-N 0 1 395.238 3.567 20 5 GHBDMN CSc1ccc(C(=O)NC[C@@H](c2cccs2)N2CCCC2)cc1[N+](=O)[O-] ZINC000029693080 862037487 /nfs/dbraw/zinc/03/74/87/862037487.db2.gz NNLFFFBBJSZQDE-HNNXBMFYSA-N 0 1 391.518 3.945 20 5 GHBDMN CCOc1ccc([N+](=O)[O-])cc1CNCCOc1ccc(Br)cc1 ZINC000518775938 850081516 /nfs/dbraw/zinc/08/15/16/850081516.db2.gz JYROBNXUTDWJJM-UHFFFAOYSA-N 0 1 395.253 3.925 20 5 GHBDMN O=C(NCc1nc2cc(Cl)ccc2s1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000518779131 850087236 /nfs/dbraw/zinc/08/72/36/850087236.db2.gz DHYZLHWMKAMSFN-UHFFFAOYSA-N 0 1 387.808 3.664 20 5 GHBDMN CC(C)[C@@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])Cc1ccc(Cl)cc1Cl ZINC000487587171 850720407 /nfs/dbraw/zinc/72/04/07/850720407.db2.gz CGKOGJVPDAMYSN-LLVKDONJSA-N 0 1 385.251 3.869 20 5 GHBDMN COc1ccc(-c2cc(C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)[nH]n2)cc1OC ZINC000434227905 850907491 /nfs/dbraw/zinc/90/74/91/850907491.db2.gz LWVLRJFBQSTWCG-UHFFFAOYSA-N 0 1 382.376 3.563 20 5 GHBDMN COc1ccc(C[C@@H]2CCCN(C(=O)c3n[nH]c(C(C)C)c3[N+](=O)[O-])C2)cc1 ZINC000434241664 850919428 /nfs/dbraw/zinc/91/94/28/850919428.db2.gz FKRVPYVCMUZZMI-HNNXBMFYSA-N 0 1 386.452 3.545 20 5 GHBDMN CC(C)(C)N1CCc2nc(NC(=O)c3ccc(F)cc3[N+](=O)[O-])sc2C1 ZINC000425078565 851105476 /nfs/dbraw/zinc/10/54/76/851105476.db2.gz KNPICIPWVPMABP-UHFFFAOYSA-N 0 1 378.429 3.599 20 5 GHBDMN C[C@@H]1[C@@H](Nc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000910357842 851149097 /nfs/dbraw/zinc/14/90/97/851149097.db2.gz OWBXIVOCEMKDJK-LCBOHDIASA-N 0 1 381.432 3.768 20 5 GHBDMN C[C@@H]1C[C@@H](N(C)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000910353316 851167568 /nfs/dbraw/zinc/16/75/68/851167568.db2.gz FDRSKGRQGNWNDR-QAPCUYQASA-N 0 1 383.448 3.782 20 5 GHBDMN CCN(CC)[C@H](CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])c1ccco1 ZINC000488545529 851600325 /nfs/dbraw/zinc/60/03/25/851600325.db2.gz PIIRRYIIBFDAJU-QGZVFWFLSA-N 0 1 388.468 3.805 20 5 GHBDMN O=C(Nc1nc2ccc(F)cc2[nH]1)c1ccc([N+](=O)[O-])cc1Br ZINC000488957884 851889839 /nfs/dbraw/zinc/88/98/39/851889839.db2.gz UKKAITGGFZFETP-UHFFFAOYSA-N 0 1 379.145 3.625 20 5 GHBDMN O=C(Nc1ccnn1[C@@H]1CCCc2ccccc21)c1cc(O)cc([N+](=O)[O-])c1 ZINC000506171156 851956850 /nfs/dbraw/zinc/95/68/50/851956850.db2.gz CQCBXUGNXCHJCH-GOSISDBHSA-N 0 1 378.388 3.675 20 5 GHBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1ccc([C@H]2CCCOC2)cc1 ZINC000506196355 852185811 /nfs/dbraw/zinc/18/58/11/852185811.db2.gz YBWGTTSOKPSNAW-INIZCTEOSA-N 0 1 393.403 3.526 20 5 GHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000506211814 852282241 /nfs/dbraw/zinc/28/22/41/852282241.db2.gz UWGJZWPTPQBKDG-INIZCTEOSA-N 0 1 397.214 3.821 20 5 GHBDMN C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1nc2ccc(Cl)cc2[nH]1 ZINC000732540190 862341744 /nfs/dbraw/zinc/34/17/44/862341744.db2.gz CIBMMYQHADSVSO-MRVPVSSYSA-N 0 1 389.755 3.524 20 5 GHBDMN C[C@H](NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1nc2ccc(Cl)cc2[nH]1 ZINC000732541709 862345184 /nfs/dbraw/zinc/34/51/84/862345184.db2.gz GIBQDJONTPPGKP-NSHDSACASA-N 0 1 397.822 3.957 20 5 GHBDMN CN(C)[C@H](CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccsc1 ZINC000426032295 852488188 /nfs/dbraw/zinc/48/81/88/852488188.db2.gz ACTFDNDXKUHQMO-GOSISDBHSA-N 0 1 388.493 3.633 20 5 GHBDMN C[C@H](Cc1cc(Br)ccc1F)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000507082166 852546756 /nfs/dbraw/zinc/54/67/56/852546756.db2.gz DCNZRAAJSZNGMT-SECBINFHSA-N 0 1 397.200 3.563 20 5 GHBDMN Cc1c(Br)c(N2CCC[C@@H]2CN2CCCCC2)ncc1[N+](=O)[O-] ZINC000489945209 852687844 /nfs/dbraw/zinc/68/78/44/852687844.db2.gz IMOIJHVPHSETIW-CYBMUJFWSA-N 0 1 383.290 3.515 20 5 GHBDMN C[C@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000506361194 852842888 /nfs/dbraw/zinc/84/28/88/852842888.db2.gz HEGXSSXIBZXAKN-APPDUMDISA-N 0 1 376.796 3.556 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1cccc(F)c1F ZINC000438791369 852866054 /nfs/dbraw/zinc/86/60/54/852866054.db2.gz BHNREDVJFRRYAN-UHFFFAOYSA-N 0 1 383.159 3.981 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1ccc(F)cc1F ZINC000438805542 852886459 /nfs/dbraw/zinc/88/64/59/852886459.db2.gz MZBQIJRNILGHNJ-UHFFFAOYSA-N 0 1 383.159 3.981 20 5 GHBDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])n[nH]1 ZINC000490280111 852915315 /nfs/dbraw/zinc/91/53/15/852915315.db2.gz VLYVBQVFDJBKOT-GHMZBOCLSA-N 0 1 395.847 3.526 20 5 GHBDMN O=C(Cc1ccc(Cl)c(Cl)c1)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000490361460 852981606 /nfs/dbraw/zinc/98/16/06/852981606.db2.gz FBYBTORZOUANMH-UHFFFAOYSA-N 0 1 392.202 3.868 20 5 GHBDMN O=C(Nc1cnn(-c2cccc(C(F)(F)F)c2)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000506480182 853261622 /nfs/dbraw/zinc/26/16/22/853261622.db2.gz KXCQJTBDMQVRBO-UHFFFAOYSA-N 0 1 392.293 3.757 20 5 GHBDMN O=[N+]([O-])c1ccccc1/C=C/CN(CCO)Cc1cc(Br)cs1 ZINC000426379408 853629038 /nfs/dbraw/zinc/62/90/38/853629038.db2.gz SXYCVGFSRDUAIQ-HWKANZROSA-N 0 1 397.294 3.927 20 5 GHBDMN C[C@H](N[C@@H](C)c1ccc(OC(F)F)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000044802659 853846581 /nfs/dbraw/zinc/84/65/81/853846581.db2.gz DKFMYOTVSXRUIP-RYUDHWBXSA-N 0 1 379.363 3.874 20 5 GHBDMN Cc1cc(N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000571407710 853871081 /nfs/dbraw/zinc/87/10/81/853871081.db2.gz JYBHOMPAEANAOT-MRXNPFEDSA-N 0 1 383.448 3.702 20 5 GHBDMN Cc1cccc(N2CCN(CCC(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)c1C ZINC000058583395 862575071 /nfs/dbraw/zinc/57/50/71/862575071.db2.gz RKCPBYSPUOWLIC-UHFFFAOYSA-N 0 1 396.491 3.671 20 5 GHBDMN CCOc1cc(CN2CC[C@@](CO)(Cc3ccc(F)cc3)C2)ccc1[N+](=O)[O-] ZINC000588985438 854629850 /nfs/dbraw/zinc/62/98/50/854629850.db2.gz YZJBXGTYFCFAQT-OAQYLSRUSA-N 0 1 388.439 3.560 20 5 GHBDMN CC(C)[C@H](c1ccccc1)N(C)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000732979054 862634548 /nfs/dbraw/zinc/63/45/48/862634548.db2.gz CURYCYJPUDKECO-HXUWFJFHSA-N 0 1 396.447 3.650 20 5 GHBDMN O=C(Nc1cc(Cl)ccc1O)C1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000053019341 855156623 /nfs/dbraw/zinc/15/66/23/855156623.db2.gz KIXACKRDQZGUIZ-UHFFFAOYSA-N 0 1 389.839 3.805 20 5 GHBDMN C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000590035774 855244052 /nfs/dbraw/zinc/24/40/52/855244052.db2.gz AWYXFKBPUNWYEJ-SFHVURJKSA-N 0 1 395.503 3.995 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N2CC(Cc3cccc(C(F)(F)F)c3)C2)c1[N+](=O)[O-] ZINC000590423797 855402256 /nfs/dbraw/zinc/40/22/56/855402256.db2.gz YETKCWKEONIMPH-UHFFFAOYSA-N 0 1 396.369 3.775 20 5 GHBDMN COc1cc(CN2CCC[C@H](c3ccccn3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000590600077 855505373 /nfs/dbraw/zinc/50/53/73/855505373.db2.gz KASKYTXYSIYENL-ZDUSSCGKSA-N 0 1 393.390 3.979 20 5 GHBDMN COc1ccc(NC(=O)CCN2CCc3cc(F)ccc3[C@H]2C)c([N+](=O)[O-])c1 ZINC000591015044 855722614 /nfs/dbraw/zinc/72/26/14/855722614.db2.gz YPNKTILAYZVRSH-CYBMUJFWSA-N 0 1 387.411 3.690 20 5 GHBDMN CN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273602507 855792713 /nfs/dbraw/zinc/79/27/13/855792713.db2.gz SEBOCQGQYRZUKA-KSSFIOAISA-N 0 1 398.394 3.603 20 5 GHBDMN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(F)c(CN(C)C)c1 ZINC000184792690 855888153 /nfs/dbraw/zinc/88/81/53/855888153.db2.gz VDLLVQBQVLZDKE-KRWDZBQOSA-N 0 1 387.455 3.681 20 5 GHBDMN Cc1ccc(C=Cc2n[nH]c(SCC(=O)Nc3ccccc3[N+](=O)[O-])n2)o1 ZINC000591374731 855956431 /nfs/dbraw/zinc/95/64/31/855956431.db2.gz YZKCUJJYTNGEBT-HJWRWDBZSA-N 0 1 385.405 3.516 20 5 GHBDMN CCN(CC)[C@H](CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)c1ccco1 ZINC000542848234 856126335 /nfs/dbraw/zinc/12/63/35/856126335.db2.gz KLCMHBDLNZDREZ-CQSZACIVSA-N 0 1 397.378 3.602 20 5 GHBDMN C[C@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl ZINC000026712341 856216289 /nfs/dbraw/zinc/21/62/89/856216289.db2.gz QIYVUCGXETXWCI-FZMZJTMJSA-N 0 1 385.247 3.992 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc3nc(-c4ccccn4)[nH]c3c2)c1 ZINC000172176184 856361761 /nfs/dbraw/zinc/36/17/61/856361761.db2.gz FUBQYMFWCOJHGZ-UHFFFAOYSA-N 0 1 389.371 3.794 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000427715868 856628130 /nfs/dbraw/zinc/62/81/30/856628130.db2.gz SRZBTUZOMPXEIX-CQSZACIVSA-N 0 1 394.431 3.808 20 5 GHBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN(Cc1ccccc1)[C@H](CO)C1CCC1 ZINC000592139500 856688719 /nfs/dbraw/zinc/68/87/19/856688719.db2.gz HCFDMUVAVZUABT-HXUWFJFHSA-N 0 1 397.475 3.505 20 5 GHBDMN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc3nc(-c4ccccc4)[nH]c3c2)n1 ZINC000427791153 856716889 /nfs/dbraw/zinc/71/68/89/856716889.db2.gz WDHOMOPKWBICLS-UHFFFAOYSA-N 0 1 376.376 3.607 20 5 GHBDMN O=C(N[C@@H](Cc1ccc(Cl)cc1)C1CCCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000485924254 857220591 /nfs/dbraw/zinc/22/05/91/857220591.db2.gz YDSGAYUSEYEKTQ-HNNXBMFYSA-N 0 1 376.844 3.893 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2nc(CSc3nc(-c4ccccn4)n[nH]3)co2)cc1 ZINC000134246719 862909002 /nfs/dbraw/zinc/90/90/02/862909002.db2.gz WTNWXDLXFXNRPL-UHFFFAOYSA-N 0 1 380.389 3.722 20 5 GHBDMN CC[S@](=O)[C@@H]1CCC[C@@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000246400636 857365895 /nfs/dbraw/zinc/36/58/95/857365895.db2.gz QOHQJAQULDJSSJ-DOPPQHETSA-N 0 1 393.534 3.888 20 5 GHBDMN COc1ccc(C(=O)C2CCN(CCOc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000065532711 857652734 /nfs/dbraw/zinc/65/27/34/857652734.db2.gz NHXQPLGMKHIPDY-UHFFFAOYSA-N 0 1 384.432 3.577 20 5 GHBDMN O=[N+]([O-])c1ccccc1/C=C\CN1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000486434714 857734427 /nfs/dbraw/zinc/73/44/27/857734427.db2.gz PYGVVPUQNQGGQW-MMENNXSTSA-N 0 1 394.475 3.997 20 5 GHBDMN Cc1ccc(NC(=O)[C@H]2CCCN(C/C=C\c3ccccc3[N+](=O)[O-])C2)nc1 ZINC000255568906 858006586 /nfs/dbraw/zinc/00/65/86/858006586.db2.gz UUOQXBCITJSQKK-GINYUPMKSA-N 0 1 380.448 3.662 20 5 GHBDMN Cc1nn(C(C)(C)C)cc1[C@H](C)N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000157982882 858068433 /nfs/dbraw/zinc/06/84/33/858068433.db2.gz IYGKHZYOZBJKCU-DZGCQCFKSA-N 0 1 387.484 3.841 20 5 GHBDMN O=C(Nc1ccc2nc(-c3cccc(F)c3)[nH]c2c1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000439053912 858178992 /nfs/dbraw/zinc/17/89/92/858178992.db2.gz XWMPPPOPYJJZQB-UHFFFAOYSA-N 0 1 393.334 3.630 20 5 GHBDMN CN(C)[C@@H](CNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000059356541 858305141 /nfs/dbraw/zinc/30/51/41/858305141.db2.gz JZMYNJXJIVSTNT-INIZCTEOSA-N 0 1 380.807 3.812 20 5 GHBDMN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@H]2c2ccccc2Cl)c1 ZINC000059376201 858347542 /nfs/dbraw/zinc/34/75/42/858347542.db2.gz GAFPQMKJEDGBLU-KXBFYZLASA-N 0 1 376.840 3.825 20 5 GHBDMN CC[C@@H](NCc1cc(C(=O)OC)ccc1[N+](=O)[O-])c1ccc(OC)c(OC)c1 ZINC000593029053 858568427 /nfs/dbraw/zinc/56/84/27/858568427.db2.gz RXTZSYBFMORXOP-MRXNPFEDSA-N 0 1 388.420 3.640 20 5 GHBDMN COc1cc(CN2CCC[C@H](CCF)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000595755133 858676666 /nfs/dbraw/zinc/67/66/66/858676666.db2.gz GYMFNPNTVUNKGC-GFCCVEGCSA-N 0 1 376.375 3.819 20 5 GHBDMN CC(C)(C)O[C@H]1C[C@H](NCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C12CCC2 ZINC000595777798 858684188 /nfs/dbraw/zinc/68/41/88/858684188.db2.gz KFLAREFVVRPMAT-HOTGVXAUSA-N 0 1 386.452 3.861 20 5 GHBDMN CC(C)(C)n1cnc(=NC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)[nH]1 ZINC000543174850 858731860 /nfs/dbraw/zinc/73/18/60/858731860.db2.gz CWZWAAXDXNASRL-UHFFFAOYSA-N 0 1 397.460 3.767 20 5 GHBDMN O=c1[nH]ccc(NC[C@H](c2ccccc2)N2CCc3sccc3C2)c1[N+](=O)[O-] ZINC000596076287 858773440 /nfs/dbraw/zinc/77/34/40/858773440.db2.gz OQSBNLJXBFEMHH-QGZVFWFLSA-N 0 1 396.472 3.968 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1 ZINC000068199229 858933544 /nfs/dbraw/zinc/93/35/44/858933544.db2.gz DQZYZMFQOMAWTR-KRWDZBQOSA-N 0 1 382.376 3.584 20 5 GHBDMN Cc1cc(CN2CCSCC2)ccc1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000172922688 858983622 /nfs/dbraw/zinc/98/36/22/858983622.db2.gz WHRGHSQFIYLJGD-UHFFFAOYSA-N 0 1 385.489 3.633 20 5 GHBDMN O=C(c1ccccc1)c1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000509625347 859017834 /nfs/dbraw/zinc/01/78/34/859017834.db2.gz ZRRPRVGNABQELU-UHFFFAOYSA-N 0 1 382.397 3.627 20 5 GHBDMN CCN(Cc1c[nH]c2ccccc12)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000190506833 859079199 /nfs/dbraw/zinc/07/91/99/859079199.db2.gz KCMSBVYFDGVVNL-AWEZNQCLSA-N 0 1 396.447 3.934 20 5 GHBDMN COc1ccc(C[C@@H](C)N2CCc3nn(-c4ccccc4)cc3C2)c([N+](=O)[O-])c1 ZINC001170352876 881389633 /nfs/dbraw/zinc/38/96/33/881389633.db2.gz SMYRRHOWRGGUPT-MRXNPFEDSA-N 0 1 392.459 3.778 20 5 GHBDMN COc1ccc(NC(=O)CCN2CCc3c(cccc3[N+](=O)[O-])C2)cc1Cl ZINC000550568156 859276751 /nfs/dbraw/zinc/27/67/51/859276751.db2.gz HZBZZJBNSQMYNY-UHFFFAOYSA-N 0 1 389.839 3.644 20 5 GHBDMN COc1ccc(C[C@H](C)N2CCC(Oc3ccc(F)cn3)CC2)c([N+](=O)[O-])c1 ZINC001170355144 881404969 /nfs/dbraw/zinc/40/49/69/881404969.db2.gz VXUFEAAKWGIKDH-AWEZNQCLSA-N 0 1 389.427 3.612 20 5 GHBDMN O=[N+]([O-])c1ccccc1CCS(=O)(=O)Nc1cnc(-c2ccccc2)s1 ZINC000535780359 859307503 /nfs/dbraw/zinc/30/75/03/859307503.db2.gz FXIOLQGTMOYOKK-UHFFFAOYSA-N 0 1 389.458 3.703 20 5 GHBDMN CCOC(=O)[C@]1(C)CCC[C@@H]1NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000597237425 859370670 /nfs/dbraw/zinc/37/06/70/859370670.db2.gz BEPHVRBKSAVBGA-QFBILLFUSA-N 0 1 389.477 3.930 20 5 GHBDMN Cc1cc([N+](=O)[O-])c(C)cc1NS(=O)(=O)c1cccc(Br)c1 ZINC000318242873 859756281 /nfs/dbraw/zinc/75/62/81/859756281.db2.gz BBRVSDFDBLDLFR-UHFFFAOYSA-N 0 1 385.239 3.775 20 5 GHBDMN COc1ccc(CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@H](CO)C(C)C)cc1 ZINC000611518082 859796760 /nfs/dbraw/zinc/79/67/60/859796760.db2.gz JRDWTTVWBHMLLE-LJQANCHMSA-N 0 1 399.447 3.764 20 5 GHBDMN Cc1cc(CN2CCSCC2)ccc1NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000602247380 859893345 /nfs/dbraw/zinc/89/33/45/859893345.db2.gz ARXDLHCCMYXWTJ-UHFFFAOYSA-N 0 1 389.452 3.843 20 5 GHBDMN Cc1ccc(CN2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)cc1[N+](=O)[O-] ZINC000091857832 859945426 /nfs/dbraw/zinc/94/54/26/859945426.db2.gz FVQDSXIJAHDSQW-UHFFFAOYSA-N 0 1 388.855 3.802 20 5 GHBDMN Cc1ccc(NC(=O)[C@@H]2CCCN(C/C=C/c3ccccc3[N+](=O)[O-])C2)nc1 ZINC000092004110 859974251 /nfs/dbraw/zinc/97/42/51/859974251.db2.gz UUOQXBCITJSQKK-WEBJUUICSA-N 0 1 380.448 3.662 20 5 GHBDMN Cc1ccc(-c2n[nH]c(NC(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)c2C)o1 ZINC000161456237 859977705 /nfs/dbraw/zinc/97/77/05/859977705.db2.gz PQWUTCKUNZWERH-UHFFFAOYSA-N 0 1 392.375 3.633 20 5 GHBDMN C[N@@H+](Cc1ccc2nc(NC(=O)c3cc([O-])cc([N+](=O)[O-])c3)sc2c1)C1CC1 ZINC000598029511 860010155 /nfs/dbraw/zinc/01/01/55/860010155.db2.gz RDSNCJVMHWRWQJ-UHFFFAOYSA-N 0 1 398.444 3.757 20 5 GHBDMN CN1CCN(c2ncccc2CNc2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CC1 ZINC000484785061 860347801 /nfs/dbraw/zinc/34/78/01/860347801.db2.gz DRLHCBBCTZDAMQ-UHFFFAOYSA-N 0 1 399.495 3.531 20 5 GHBDMN Cc1ccc(Br)c(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2C)c1 ZINC000093929132 860377050 /nfs/dbraw/zinc/37/70/50/860377050.db2.gz FRBWVCVCMVSCGP-UHFFFAOYSA-N 0 1 385.239 3.775 20 5 GHBDMN COc1ccc([C@H]2CCN([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)cc1 ZINC000155240209 860450533 /nfs/dbraw/zinc/45/05/33/860450533.db2.gz MBGAXEWOYCFXKP-RDJZCZTQSA-N 0 1 383.448 3.728 20 5 GHBDMN COC(=O)c1ccnc(S[C@H]2CCCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000598631435 860461176 /nfs/dbraw/zinc/46/11/76/860461176.db2.gz UCWZVOFGPLOWIO-HNNXBMFYSA-N 0 1 387.461 3.533 20 5 GHBDMN COc1cc(CN[C@H](CCCO)c2ccccc2)c([N+](=O)[O-])cc1OC(F)F ZINC000265882155 860469092 /nfs/dbraw/zinc/46/90/92/860469092.db2.gz OVZGCOJWDXGONS-OAHLLOKOSA-N 0 1 396.390 3.808 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2ncn(CN3CCC[C@H](Cc4ccccc4)C3)n2)c1 ZINC000729984940 860484496 /nfs/dbraw/zinc/48/44/96/860484496.db2.gz BLGALEKANARPGZ-GOSISDBHSA-N 0 1 377.448 3.766 20 5 GHBDMN Cc1nn(C)c(Sc2nc(-c3cc(Cl)cc(Cl)c3)n[nH]2)c1[N+](=O)[O-] ZINC000301421323 860567310 /nfs/dbraw/zinc/56/73/10/860567310.db2.gz CDFNPVZLFAXNAG-UHFFFAOYSA-N 0 1 385.236 3.880 20 5 GHBDMN Cc1nn(CN2CCC[C@H]2Cn2cnc3ccccc32)c2cc([N+](=O)[O-])ccc12 ZINC000761291960 860623848 /nfs/dbraw/zinc/62/38/48/860623848.db2.gz LBJGTOZKRJCLBU-KRWDZBQOSA-N 0 1 390.447 3.725 20 5 GHBDMN C[C@@H](N[C@H](C)c1ccc(OC(F)F)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000125394251 860656774 /nfs/dbraw/zinc/65/67/74/860656774.db2.gz VABZLHQYOOBKNN-VXGBXAGGSA-N 0 1 379.363 3.874 20 5 GHBDMN O=C(Nc1cccc(CN2CCSCC2)c1)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000156032900 860662990 /nfs/dbraw/zinc/66/29/90/860662990.db2.gz DVOBAJPPRYULOT-UHFFFAOYSA-N 0 1 396.472 3.877 20 5 GHBDMN Cc1c(CN(C)[C@H](CO)c2cccc(Br)c2)cccc1[N+](=O)[O-] ZINC000125543283 860701906 /nfs/dbraw/zinc/70/19/06/860701906.db2.gz PPLAYKZHMHWJIK-QGZVFWFLSA-N 0 1 379.254 3.831 20 5 GHBDMN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@@H]2c2ccc(Cl)cc2)c1 ZINC000603497582 860768538 /nfs/dbraw/zinc/76/85/38/860768538.db2.gz FAPFTGFLDAZSCG-IEBWSBKVSA-N 0 1 376.840 3.825 20 5 GHBDMN Cc1ccc2nc([C@@H]3CCCN3C(=O)COc3cccc([N+](=O)[O-])c3)[nH]c2c1 ZINC000061230397 861061268 /nfs/dbraw/zinc/06/12/68/861061268.db2.gz PNOBMGQOXVAMTK-SFHVURJKSA-N 0 1 380.404 3.522 20 5 GHBDMN O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CC[C@@H](N2CCCCC2)C1 ZINC000444007823 863141420 /nfs/dbraw/zinc/14/14/20/863141420.db2.gz GDHVLXJGXPNHMH-OAHLLOKOSA-N 0 1 393.462 3.521 20 5 GHBDMN CC1CCC(N(CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]2CCCO2)CC1 ZINC000444218910 863692942 /nfs/dbraw/zinc/69/29/42/863692942.db2.gz YKIXTBGOEBIOBS-OFLPRAFFSA-N 0 1 375.469 3.593 20 5 GHBDMN Cn1cc(CNCc2cc(Cl)cc3c2OCC3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000184137410 864111517 /nfs/dbraw/zinc/11/15/17/864111517.db2.gz QMZYHIQVHLTLJL-UHFFFAOYSA-N 0 1 398.850 3.873 20 5 GHBDMN COc1cc(C(=O)Nc2cccc3c2CN(CC(C)C)C3)cc([N+](=O)[O-])c1OC ZINC000494461424 881753686 /nfs/dbraw/zinc/75/36/86/881753686.db2.gz QTYGRNHSTURSDG-UHFFFAOYSA-N 0 1 399.447 3.836 20 5 GHBDMN COc1cccc(NCc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)c1[N+](=O)[O-] ZINC000475348544 864824840 /nfs/dbraw/zinc/82/48/40/864824840.db2.gz DAZDVECFNFJODN-HOTGVXAUSA-N 0 1 385.464 3.825 20 5 GHBDMN Cc1ccc(NC(=O)c2ccc(N3CCN(CC4CC4)CC3)c([N+](=O)[O-])c2)cc1 ZINC000608972784 865866592 /nfs/dbraw/zinc/86/65/92/865866592.db2.gz MTXASWRORAMMJA-UHFFFAOYSA-N 0 1 394.475 3.688 20 5 GHBDMN CCn1nc(C)c(CNCc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)c1C ZINC000608983279 865877371 /nfs/dbraw/zinc/87/73/71/865877371.db2.gz RLSUMHCVKKERKR-UHFFFAOYSA-N 0 1 384.436 3.986 20 5 GHBDMN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1CC2(CCC2)[C@H]1c1ccco1 ZINC000456593456 866016436 /nfs/dbraw/zinc/01/64/36/866016436.db2.gz RWOPVXQUWYXKIC-GOSISDBHSA-N 0 1 378.388 3.945 20 5 GHBDMN CN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000444690794 867070803 /nfs/dbraw/zinc/07/08/03/867070803.db2.gz VNGVNLOJLREKGK-DNVCBOLYSA-N 0 1 384.411 3.962 20 5 GHBDMN COc1cccc(Cl)c1CN[C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000479299804 867544146 /nfs/dbraw/zinc/54/41/46/867544146.db2.gz ZTQQHBNINYSJLD-LBPRGKRZSA-N 0 1 377.828 3.764 20 5 GHBDMN O=C(Nc1nc2ccc(Br)cc2[nH]1)c1cc(F)ccc1[N+](=O)[O-] ZINC000742891920 867656137 /nfs/dbraw/zinc/65/61/37/867656137.db2.gz OOSXGWUIDBULLQ-UHFFFAOYSA-N 0 1 379.145 3.625 20 5 GHBDMN O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2NCc2c(F)cccc2OC(F)F)n1 ZINC000479491087 867877031 /nfs/dbraw/zinc/87/70/31/867877031.db2.gz RICJZEPDAMKFAB-KGLIPLIRSA-N 0 1 384.358 3.805 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(Br)c1C ZINC000524018689 868401010 /nfs/dbraw/zinc/40/10/10/868401010.db2.gz NAJOXRAHELFFBL-UHFFFAOYSA-N 0 1 385.239 3.775 20 5 GHBDMN O=[N+]([O-])c1cc(CN2CCC[C@@H](c3nc4ccccc4o3)C2)c2c(c1)COCO2 ZINC000029825261 868791040 /nfs/dbraw/zinc/79/10/40/868791040.db2.gz CACIWMRHXIELOC-CQSZACIVSA-N 0 1 395.415 3.982 20 5 GHBDMN CC(C)C(=O)c1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c3ncccc23)cc1 ZINC000462360094 869292201 /nfs/dbraw/zinc/29/22/01/869292201.db2.gz ORDAOZUVJBQAHC-UHFFFAOYSA-N 0 1 399.428 3.783 20 5 GHBDMN O=C(c1cc([N+](=O)[O-])ccc1Sc1ccccc1)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000446399312 869827503 /nfs/dbraw/zinc/82/75/03/869827503.db2.gz XLHUZVKVRIGKOC-GASCZTMLSA-N 0 1 383.473 3.713 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N2CCn3c(cc4c3cccc4Cl)C2)c1[N+](=O)[O-] ZINC000446518682 869948658 /nfs/dbraw/zinc/94/86/58/869948658.db2.gz RBLRTTPJBYHOME-UHFFFAOYSA-N 0 1 387.827 3.705 20 5 GHBDMN COCc1cc([N+](=O)[O-])ccc1NCc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000525127847 870030472 /nfs/dbraw/zinc/03/04/72/870030472.db2.gz JBLTZUPVMKWJDK-IAGOWNOFSA-N 0 1 399.491 3.963 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C)c1cc2cccc(F)c2o1 ZINC000475707673 882422867 /nfs/dbraw/zinc/42/28/67/882422867.db2.gz ZPAKRRSZUKEKSJ-LLVKDONJSA-N 0 1 387.367 3.778 20 5 GHBDMN C[C@H]1CCCC[N@H+]1Cc1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000540330451 871039898 /nfs/dbraw/zinc/03/98/98/871039898.db2.gz ILHKQYVJYPXBQW-HNNXBMFYSA-N 0 1 389.477 3.770 20 5 GHBDMN CCc1nn(C)c(NC[C@@H](c2ccccc2Cl)N2CCCC2)c1[N+](=O)[O-] ZINC000537640461 882472145 /nfs/dbraw/zinc/47/21/45/882472145.db2.gz JJHFOOHIFKFWAJ-INIZCTEOSA-N 0 1 377.876 3.793 20 5 GHBDMN Cc1ccccc1Oc1ccccc1CNS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525688404 871242568 /nfs/dbraw/zinc/24/25/68/871242568.db2.gz DYFZXOGSXYPXKK-UHFFFAOYSA-N 0 1 399.428 3.569 20 5 GHBDMN COc1cc(C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)c([N+](=O)[O-])cc1F ZINC001127636977 871262301 /nfs/dbraw/zinc/26/23/01/871262301.db2.gz JEPWFQOLGFHDEF-UHFFFAOYSA-N 0 1 380.282 3.809 20 5 GHBDMN CN(CCc1cccc(Br)c1)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000463420081 871681681 /nfs/dbraw/zinc/68/16/81/871681681.db2.gz OYJJAMOLXGKHJL-UHFFFAOYSA-N 0 1 389.253 3.908 20 5 GHBDMN Cc1ccc(S(=O)(=O)C[C@H](C)N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000447597562 871910355 /nfs/dbraw/zinc/91/03/55/871910355.db2.gz FRMIYCSIIALVCX-YWZLYKJASA-N 0 1 388.489 3.733 20 5 GHBDMN CCc1ccc([C@@H]2CCN(CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)C2)cc1 ZINC001194715495 871912948 /nfs/dbraw/zinc/91/29/48/871912948.db2.gz POUKCAIAPSVEAQ-LJQANCHMSA-N 0 1 379.460 3.536 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@H](CCC(=O)OC(C)(C)C)C1 ZINC001195232596 872240322 /nfs/dbraw/zinc/24/03/22/872240322.db2.gz FXSMDIAMMJZGMK-OAHLLOKOSA-N 0 1 378.469 3.937 20 5 GHBDMN Cc1csc(-c2cccc(S(=O)(=O)Nc3cccc([N+](=O)[O-])c3)c2)n1 ZINC000443404872 872258339 /nfs/dbraw/zinc/25/83/39/872258339.db2.gz UZCUASARNOUFSX-UHFFFAOYSA-N 0 1 375.431 3.828 20 5 GHBDMN Cc1csc(-c2cccc(S(=O)(=O)Nc3cc(F)cc([N+](=O)[O-])c3)c2)n1 ZINC000443409066 872278485 /nfs/dbraw/zinc/27/84/85/872278485.db2.gz VSVMXMWFYMJRNT-UHFFFAOYSA-N 0 1 393.421 3.967 20 5 GHBDMN Cc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)cc1[N+](=O)[O-] ZINC000447790120 872303415 /nfs/dbraw/zinc/30/34/15/872303415.db2.gz WDACRPJQRNAQQM-UHFFFAOYSA-N 0 1 378.303 3.862 20 5 GHBDMN Cc1ccc(-c2cc(=NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)[nH][nH]2)o1 ZINC000447807788 872334684 /nfs/dbraw/zinc/33/46/84/872334684.db2.gz UCALKRNWFMGXAO-UHFFFAOYSA-N 0 1 398.422 3.507 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCc2ccccc2[C@@H](C)C1 ZINC001195808867 872679021 /nfs/dbraw/zinc/67/90/21/872679021.db2.gz DKUAVKCZSRGNRG-GJZGRUSLSA-N 0 1 383.448 3.592 20 5 GHBDMN O=[N+]([O-])c1ccc(CNCc2ccc(OCCOc3ccccc3)nc2)cc1 ZINC000237983287 882650895 /nfs/dbraw/zinc/65/08/95/882650895.db2.gz LAZUGNHZYCOTMX-UHFFFAOYSA-N 0 1 379.416 3.737 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@](F)(c2ccccc2)C1 ZINC000619784391 872998043 /nfs/dbraw/zinc/99/80/43/872998043.db2.gz KSQFITHTABPVBO-FQEVSTJZSA-N 0 1 387.411 3.503 20 5 GHBDMN CCc1cnccc1[C@H](C)N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000541194196 873093298 /nfs/dbraw/zinc/09/32/98/873093298.db2.gz YEXGINAFGZBWAH-NWDGAFQWSA-N 0 1 376.844 3.883 20 5 GHBDMN CN(C)c1cccc([C@@H]2CCCN2Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC000769461862 874085858 /nfs/dbraw/zinc/08/58/58/874085858.db2.gz YLVUTPPOWWHPFD-SFHVURJKSA-N 0 1 383.448 3.769 20 5 GHBDMN CC[C@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000029909132 875663313 /nfs/dbraw/zinc/66/33/13/875663313.db2.gz XYRXALBXLHVJBP-QGZVFWFLSA-N 0 1 387.867 3.815 20 5 GHBDMN COc1ccc(Br)cc1CN(C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776272279 876134527 /nfs/dbraw/zinc/13/45/27/876134527.db2.gz SKLVKYGEMBSEOF-MRXNPFEDSA-N 0 1 395.253 3.531 20 5 GHBDMN O=C(Nc1nc2ccc(F)cc2[nH]1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000785876079 876286093 /nfs/dbraw/zinc/28/60/93/876286093.db2.gz DTBAKNIPWODGGG-UHFFFAOYSA-N 0 1 383.383 3.853 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000054348086 876503331 /nfs/dbraw/zinc/50/33/31/876503331.db2.gz YBAKNFLJHASTDZ-ZBFHGGJFSA-N 0 1 384.436 3.560 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N(C)CCc1ccc(Cl)cc1 ZINC000492373536 876733043 /nfs/dbraw/zinc/73/30/43/876733043.db2.gz IKOUIDGNAPCCGS-ZDUSSCGKSA-N 0 1 391.855 3.758 20 5 GHBDMN O=C(N1CC[C@@H](NCc2ccccc2[N+](=O)[O-])c2ccccc2C1)C(F)(F)F ZINC000850442883 876925598 /nfs/dbraw/zinc/92/55/98/876925598.db2.gz PCILGLXIJSUGJC-MRXNPFEDSA-N 0 1 393.365 3.720 20 5 GHBDMN C[C@H]1C[C@@H](c2cccnc2)N(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)C1 ZINC000450840053 876980467 /nfs/dbraw/zinc/98/04/67/876980467.db2.gz VWTWTWYGNBECQK-DJJJIMSYSA-N 0 1 377.404 3.603 20 5 GHBDMN C[C@H](NCC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000451107858 877371101 /nfs/dbraw/zinc/37/11/01/877371101.db2.gz UBFDIQQIPWYBBX-STQMWFEESA-N 0 1 377.391 3.743 20 5 GHBDMN C[C@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000451100355 877390843 /nfs/dbraw/zinc/39/08/43/877390843.db2.gz SIDDKIORSJGQCZ-RYUDHWBXSA-N 0 1 379.363 3.874 20 5 GHBDMN COc1ccc(Cl)cc1NC(=O)[C@@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451105413 877403005 /nfs/dbraw/zinc/40/30/05/877403005.db2.gz MWADXVXXBJXREE-NWDGAFQWSA-N 0 1 377.828 3.935 20 5 GHBDMN C[C@@H]1[C@H](C)N(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)CCN1C ZINC000537808450 878321502 /nfs/dbraw/zinc/32/15/02/878321502.db2.gz ASOCYEDNEWBNAW-CABCVRRESA-N 0 1 385.489 3.911 20 5 GHBDMN CCOc1ccc(NC(=O)CN[C@H](C)c2ccc3c(c2)CCCO3)c([N+](=O)[O-])c1 ZINC000852783279 878599034 /nfs/dbraw/zinc/59/90/34/878599034.db2.gz XWFLVSWJCNTOSN-CQSZACIVSA-N 0 1 399.447 3.608 20 5 GHBDMN CCOc1ccc([C@H](C)N[C@@H]2C[C@@H](C)N(c3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000537986246 878628407 /nfs/dbraw/zinc/62/84/07/878628407.db2.gz HUEYYPWPJJKHEW-RVKKMQEKSA-N 0 1 383.448 3.838 20 5 GHBDMN Cc1c([C@H](C)N[C@H]2CCN(CCCc3ccccc3)C2=O)cccc1[N+](=O)[O-] ZINC000538020462 878726082 /nfs/dbraw/zinc/72/60/82/878726082.db2.gz FLXOIWXFNORFKI-PXNSSMCTSA-N 0 1 381.476 3.788 20 5 GHBDMN COc1cc(C)c([C@@H](C)NCC(=O)Nc2c(C)cccc2[N+](=O)[O-])cc1OC ZINC000538189404 879006980 /nfs/dbraw/zinc/00/69/80/879006980.db2.gz YYBFJJPAUWZGHT-CQSZACIVSA-N 0 1 387.436 3.518 20 5 GHBDMN O=C(CN[C@H](COc1ccccc1)c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000538216350 879033239 /nfs/dbraw/zinc/03/32/39/879033239.db2.gz VVZHQJLJKDKFPY-HXUWFJFHSA-N 0 1 391.427 3.943 20 5 GHBDMN C[C@H](c1ccccc1)N1CC[C@@](F)(COC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000789775701 879267783 /nfs/dbraw/zinc/26/77/83/879267783.db2.gz ZGNODLHMDPYDPG-IERDGZPVSA-N 0 1 386.423 3.856 20 5 GHBDMN Cc1cc(C(=O)N2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)ccc1[N+](=O)[O-] ZINC000152682906 879574501 /nfs/dbraw/zinc/57/45/01/879574501.db2.gz WIFBIUJTYZZGDJ-KRWDZBQOSA-N 0 1 377.404 3.666 20 5 GHBDMN Cc1cc(C(=O)N2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)ccc1[N+](=O)[O-] ZINC000152682906 879574510 /nfs/dbraw/zinc/57/45/10/879574510.db2.gz WIFBIUJTYZZGDJ-KRWDZBQOSA-N 0 1 377.404 3.666 20 5 GHBDMN Cc1c(C(=O)N2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)cccc1[N+](=O)[O-] ZINC000152683472 879575327 /nfs/dbraw/zinc/57/53/27/879575327.db2.gz RFNUZPQYRCPXGB-QGZVFWFLSA-N 0 1 377.404 3.666 20 5 GHBDMN Cc1c(C(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)cccc1[N+](=O)[O-] ZINC000152683472 879575333 /nfs/dbraw/zinc/57/53/33/879575333.db2.gz RFNUZPQYRCPXGB-QGZVFWFLSA-N 0 1 377.404 3.666 20 5 GHBDMN Cc1c([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc(Cl)c2)c(C)c1[N+](=O)[O-] ZINC000790382285 879654504 /nfs/dbraw/zinc/65/45/04/879654504.db2.gz SHWPMEDVWUHMIY-UHFFFAOYSA-N 0 1 385.785 3.574 20 5 GHBDMN Cc1c(CN[C@@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] ZINC000493962809 879779556 /nfs/dbraw/zinc/77/95/56/879779556.db2.gz WIUYVEKIILYROA-APWZRJJASA-N 0 1 391.830 3.757 20 5 GHBDMN O=C(N[C@H]1CCCc2cn[nH]c21)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000493973291 879790035 /nfs/dbraw/zinc/79/00/35/879790035.db2.gz OBWCTFJTWBQXET-IBGZPJMESA-N 0 1 391.431 3.737 20 5 GHBDMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790570746 879829635 /nfs/dbraw/zinc/82/96/35/879829635.db2.gz BAAJXPUYGXCECT-UHFFFAOYSA-N 0 1 382.823 3.609 20 5 GHBDMN COCC1(c2noc(-c3cc(-c4ccc([N+](=O)[O-])cc4)n[nH]3)n2)CCCCC1 ZINC000453186461 880588921 /nfs/dbraw/zinc/58/89/21/880588921.db2.gz WREXVPRMMVUDJK-UHFFFAOYSA-N 0 1 383.408 3.883 20 5 GHBDMN O=C1[C@H](NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C[C@H]2CCCCN12 ZINC000453614493 881153340 /nfs/dbraw/zinc/15/33/40/881153340.db2.gz FCBJADCFMSCDMH-SJLPKXTDSA-N 0 1 399.422 3.769 20 5 GHBDMN CSc1ccc(C(=O)NCc2nc3ccc(Cl)cc3[nH]2)cc1[N+](=O)[O-] ZINC000609532218 883320664 /nfs/dbraw/zinc/32/06/64/883320664.db2.gz AKDBQJJSCRZMDH-UHFFFAOYSA-N 0 1 376.825 3.776 20 5 GHBDMN C[C@@H]1CN(c2ccc(CN[C@@H]3CCCc4ccc([N+](=O)[O-])cc43)cn2)C[C@H](C)O1 ZINC000192675479 883490237 /nfs/dbraw/zinc/49/02/37/883490237.db2.gz SDIWUYQXYOABDF-VWKPWSFCSA-N 0 1 396.491 3.771 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@@H]1[C@H]2Cc3ccccc3[C@@H]12 ZINC000477162113 883835385 /nfs/dbraw/zinc/83/53/85/883835385.db2.gz FTOZXOLFQZASIS-NILFDRSVSA-N 0 1 399.255 3.518 20 5 GHBDMN CCOc1ccc2c(c1)c(=N)c1ccc(N)cc1n2C(=O)[C@H]1C[C@@]12CCCOC2 ZINC001183722953 912756824 /nfs/dbraw/zinc/75/68/24/912756824.db2.gz GPNGXCIJVMCYBD-WZONZLPQSA-N 0 1 391.471 3.712 20 5 GHBDMN O=C(NCCNc1ccccc1[N+](=O)[O-])c1cn[nH]c1-c1ccc(Cl)s1 ZINC000495116396 884579472 /nfs/dbraw/zinc/57/94/72/884579472.db2.gz HCLUPQCRZRKIFT-UHFFFAOYSA-N 0 1 391.840 3.542 20 5 GHBDMN COc1ccc(S(=O)(=O)Nc2ccc(F)cc2OC(C)(C)C)cc1[N+](=O)[O-] ZINC000498507400 884661649 /nfs/dbraw/zinc/66/16/49/884661649.db2.gz RBTOHOQCAHEBCZ-UHFFFAOYSA-N 0 1 398.412 3.721 20 5 GHBDMN C[C@@H](C(=O)[O-])[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000263440136 884869498 /nfs/dbraw/zinc/86/94/98/884869498.db2.gz WEJYKSJZVMOLSI-VIFPVBQESA-N 0 1 383.198 3.522 20 5 GHBDMN C[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000263440136 884869511 /nfs/dbraw/zinc/86/95/11/884869511.db2.gz WEJYKSJZVMOLSI-VIFPVBQESA-N 0 1 383.198 3.522 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000153396915 885060516 /nfs/dbraw/zinc/06/05/16/885060516.db2.gz AUCIDVQXFOBZJK-FOIQADDNSA-N 0 1 383.448 3.872 20 5 GHBDMN O=C(Nc1nc(C2CCC2)n[nH]1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000194859538 885177497 /nfs/dbraw/zinc/17/74/97/885177497.db2.gz BPSVLVMJEOQKJN-UHFFFAOYSA-N 0 1 393.403 3.812 20 5 GHBDMN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(-c3nc4ccc(F)cc4[nH]3)cc2)n1 ZINC000191602901 885381533 /nfs/dbraw/zinc/38/15/33/885381533.db2.gz KWDUXTUYFQDVLF-UHFFFAOYSA-N 0 1 394.366 3.746 20 5 GHBDMN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCN(C)CC[C@@H]2C)cc1 ZINC000498728732 885534018 /nfs/dbraw/zinc/53/40/18/885534018.db2.gz LWTUMFCMPDGIRZ-HNNXBMFYSA-N 0 1 399.447 3.562 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000153481010 885817684 /nfs/dbraw/zinc/81/76/84/885817684.db2.gz RTCGHNFORIFUGY-QZTJIDSGSA-N 0 1 383.492 3.975 20 5 GHBDMN CCOc1ccc([C@@H](C)NCc2ccc(C[S@@](C)=O)cc2)cc1[N+](=O)[O-] ZINC000556910855 886651945 /nfs/dbraw/zinc/65/19/45/886651945.db2.gz FEDYIQPEGUYDHG-IYJVBRSBSA-N 0 1 376.478 3.723 20 5 GHBDMN Cc1cc(N2CCC[C@](CO)(c3ccccc3)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000509510245 887458952 /nfs/dbraw/zinc/45/89/52/887458952.db2.gz JQDRTKJDSGHIHR-QFIPXVFZSA-N 0 1 377.444 3.982 20 5 GHBDMN COC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000809696629 887672496 /nfs/dbraw/zinc/67/24/96/887672496.db2.gz NLYWPMAYIGNETB-KRWDZBQOSA-N 0 1 398.337 3.782 20 5 GHBDMN O=[N+]([O-])c1cccc(Br)c1CN1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000809758303 887801653 /nfs/dbraw/zinc/80/16/53/887801653.db2.gz IVEIDLRFKOWBHR-KBPBESRZSA-N 0 1 383.286 3.996 20 5 GHBDMN CC(C)(CNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C(F)(F)F ZINC000809844513 887860696 /nfs/dbraw/zinc/86/06/96/887860696.db2.gz XLQHHMKIEKPXAJ-UHFFFAOYSA-N 0 1 395.186 3.768 20 5 GHBDMN CN(C)[C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1Cl)c1cccc(F)c1 ZINC000809914242 887937860 /nfs/dbraw/zinc/93/78/60/887937860.db2.gz BWEPTJLFXXYNIG-OAHLLOKOSA-N 0 1 380.807 3.812 20 5 GHBDMN CN(C)C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(Cl)c1 ZINC001131954646 887998860 /nfs/dbraw/zinc/99/88/60/887998860.db2.gz XIADWWVCTQVJDI-QGZVFWFLSA-N 0 1 396.274 3.863 20 5 GHBDMN COCCCN1C(=O)N=NC1SCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809951535 888017431 /nfs/dbraw/zinc/01/74/31/888017431.db2.gz KKOJRZPPVJUGLU-UHFFFAOYSA-N 0 1 393.252 3.528 20 5 GHBDMN CN1CC[C@H](NCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H]1c1ccc(Cl)cc1 ZINC000810059857 888108074 /nfs/dbraw/zinc/10/80/74/888108074.db2.gz CPGJQHJZUOFIMG-FUHWJXTLSA-N 0 1 390.827 3.691 20 5 GHBDMN C=Cc1ccc(C(=O)N(C)c2cc([N+](=O)[O-])cc(N3CCN(CC)CC3)c2)cc1 ZINC001132278598 888529355 /nfs/dbraw/zinc/52/93/55/888529355.db2.gz BXEMSDZLKUHTKU-UHFFFAOYSA-N 0 1 394.475 3.656 20 5 GHBDMN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNC[C@@H](O)COc1ccc(F)cc1 ZINC000811475457 889661261 /nfs/dbraw/zinc/66/12/61/889661261.db2.gz GBWZKQGGVIEOCS-CYBMUJFWSA-N 0 1 389.210 3.570 20 5 GHBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000795104697 890269382 /nfs/dbraw/zinc/26/93/82/890269382.db2.gz ZISXVIXDUDVDIE-KYJSFNMBSA-N 0 1 375.469 3.987 20 5 GHBDMN Cc1nn(C)c2cc(NS(=O)(=O)c3cc([N+](=O)[O-])c(C)cc3Cl)ccc12 ZINC000812271443 890493492 /nfs/dbraw/zinc/49/34/92/890493492.db2.gz IXSNKJNVTPZQDS-UHFFFAOYSA-N 0 1 394.840 3.553 20 5 GHBDMN C[C@H](CNCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)S(C)(=O)=O ZINC000533587592 890917463 /nfs/dbraw/zinc/91/74/63/890917463.db2.gz BGJYGIRFXSSMQC-GFCCVEGCSA-N 0 1 398.868 3.563 20 5 GHBDMN C[C@H]1CCCCN1CCNc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000917069450 890990688 /nfs/dbraw/zinc/99/06/88/890990688.db2.gz YJKSQYUNRFBJGY-JTQLQIEISA-N 0 1 376.335 3.808 20 5 GHBDMN O=[N+]([O-])c1cccc(CCNCc2c(F)ccc(C3OCCO3)c2Cl)c1 ZINC000812842031 891031433 /nfs/dbraw/zinc/03/14/33/891031433.db2.gz ZCNCJKBGTKJXBH-UHFFFAOYSA-N 0 1 380.803 3.765 20 5 GHBDMN CCN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H](C)[C@H](O)c1ccccc1 ZINC000812848562 891038890 /nfs/dbraw/zinc/03/88/90/891038890.db2.gz KWSQXPJXPKCNSQ-LIRRHRJNSA-N 0 1 382.420 3.589 20 5 GHBDMN Cc1ccc(S(=O)(=O)C[C@@H](C)N[C@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000547832077 891974115 /nfs/dbraw/zinc/97/41/15/891974115.db2.gz KHKOCAWRUWEKQC-HZPDHXFCSA-N 0 1 376.478 3.725 20 5 GHBDMN CN1CCN(Cn2c3cc([N+](=O)[O-])ccc3oc2=S)[C@@H](c2ccccc2)C1 ZINC000917462303 892003938 /nfs/dbraw/zinc/00/39/38/892003938.db2.gz DCXCECWHKRNWLK-QGZVFWFLSA-N 0 1 384.461 3.818 20 5 GHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1Br ZINC000918142919 893217937 /nfs/dbraw/zinc/21/79/37/893217937.db2.gz LRSIMPYMAIYFKR-UHFFFAOYSA-N 0 1 391.630 3.812 20 5 GHBDMN CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C ZINC001137123044 893728396 /nfs/dbraw/zinc/72/83/96/893728396.db2.gz CRNONBLYQXSCRO-INIZCTEOSA-N 0 1 391.855 3.680 20 5 GHBDMN CC(C)c1cc([C@H]2CCCN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)[nH]n1 ZINC000877784508 893811702 /nfs/dbraw/zinc/81/17/02/893811702.db2.gz RKXSTQAGWBIOKG-AWEZNQCLSA-N 0 1 386.452 3.687 20 5 GHBDMN CC(C)c1cc([C@H]2CCCN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)n[nH]1 ZINC000877784508 893811721 /nfs/dbraw/zinc/81/17/21/893811721.db2.gz RKXSTQAGWBIOKG-AWEZNQCLSA-N 0 1 386.452 3.687 20 5 GHBDMN CCc1cc(NS(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)c2ccccc2n1 ZINC000194679798 893896861 /nfs/dbraw/zinc/89/68/61/893896861.db2.gz RKDBMSHZEAOTEQ-UHFFFAOYSA-N 0 1 387.417 3.515 20 5 GHBDMN Cc1ccc([C@H](C)N[C@@H]2CCN(CCCc3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000536910567 894089719 /nfs/dbraw/zinc/08/97/19/894089719.db2.gz PIXYSRPVCHAQIG-FXAWDEMLSA-N 0 1 381.476 3.788 20 5 GHBDMN Cc1cc(N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000563716101 894099575 /nfs/dbraw/zinc/09/95/75/894099575.db2.gz NHEQYOXMRUETDT-QGZVFWFLSA-N 0 1 383.448 3.702 20 5 GHBDMN C[C@@]1(Cc2cccc(F)c2)CCCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000563961511 894375761 /nfs/dbraw/zinc/37/57/61/894375761.db2.gz ZETPJLYVFLESDO-FQEVSTJZSA-N 0 1 382.395 3.848 20 5 GHBDMN Cc1[nH]ncc1C1CCN(C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000935880887 894881297 /nfs/dbraw/zinc/88/12/97/894881297.db2.gz VUTWDZIBKOHHBE-UHFFFAOYSA-N 0 1 376.844 3.619 20 5 GHBDMN C[N@@H+](Cc1ccccc1)[C@H](CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-])C1CC1 ZINC000566291802 896219127 /nfs/dbraw/zinc/21/91/27/896219127.db2.gz UWUAGWRTTAOYLH-HXUWFJFHSA-N 0 1 383.448 3.544 20 5 GHBDMN C[C@H]1C[C@H](CCNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000566293279 896220878 /nfs/dbraw/zinc/22/08/78/896220878.db2.gz LJXNNMHMGXFAKG-LPHOPBHVSA-N 0 1 397.475 3.935 20 5 GHBDMN O=C(Cc1ccccc1[N+](=O)[O-])NC[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000041400399 896258812 /nfs/dbraw/zinc/25/88/12/896258812.db2.gz GIVQIHSRYDUWQG-IBGZPJMESA-N 0 1 387.867 3.744 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826293663 897071938 /nfs/dbraw/zinc/07/19/38/897071938.db2.gz XKYRCXXLRZEIIH-OAHLLOKOSA-N 0 1 390.447 3.934 20 5 GHBDMN CN(C(=O)c1ccncc1)c1ccc(CNCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000130439943 897085939 /nfs/dbraw/zinc/08/59/39/897085939.db2.gz TZTPOVJGFJMYKH-UHFFFAOYSA-N 0 1 376.416 3.556 20 5 GHBDMN COc1ccc([C@H](C)N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c(OC)c1 ZINC000042184453 897273101 /nfs/dbraw/zinc/27/31/01/897273101.db2.gz RTCLFIOHUQBQBZ-KBPBESRZSA-N 0 1 387.436 3.598 20 5 GHBDMN Cc1cc(C(=O)Nc2ccc3oc(CN4CCCC4)nc3c2)cc([N+](=O)[O-])c1 ZINC000820486960 897354940 /nfs/dbraw/zinc/35/49/40/897354940.db2.gz HSLLFRXBOYALDM-UHFFFAOYSA-N 0 1 380.404 3.893 20 5 GHBDMN CC(C)(O)c1ccc(CNCc2ccc(Br)cc2[N+](=O)[O-])cc1 ZINC000883288149 897449337 /nfs/dbraw/zinc/44/93/37/897449337.db2.gz STZIRLIQGVGJDC-UHFFFAOYSA-N 0 1 379.254 3.875 20 5 GHBDMN COc1cc(CN(C)C[C@@](C)(O)c2ccccc2)c([N+](=O)[O-])cc1OC(F)F ZINC000822516750 898449038 /nfs/dbraw/zinc/44/90/38/898449038.db2.gz PJDGHSXVKCHLOC-LJQANCHMSA-N 0 1 396.390 3.544 20 5 GHBDMN Cc1cc(Cl)c(C(=O)NC[C@H](c2cccc(F)c2)N(C)C)cc1[N+](=O)[O-] ZINC000823596047 899120124 /nfs/dbraw/zinc/12/01/24/899120124.db2.gz DOCCXQBLLGPMOI-QGZVFWFLSA-N 0 1 379.819 3.728 20 5 GHBDMN Cc1nc([C@H]2CCCN(C(=O)c3n[nH]c(C(C)C)c3[N+](=O)[O-])C2)sc1C ZINC000331775988 899152235 /nfs/dbraw/zinc/15/22/35/899152235.db2.gz FANGORSFRKTPKW-LBPRGKRZSA-N 0 1 377.470 3.534 20 5 GHBDMN Cn1ccc([C@H](NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)c2ccc(F)cc2)n1 ZINC000570197016 899189040 /nfs/dbraw/zinc/18/90/40/899189040.db2.gz OERVXZVRRFYCMR-OAQYLSRUSA-N 0 1 393.422 3.870 20 5 GHBDMN Cc1ccc(C[C@@H](C)N(C)C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)cc1 ZINC001136859812 899539395 /nfs/dbraw/zinc/53/93/95/899539395.db2.gz DLDRZASIYXLQQU-OAHLLOKOSA-N 0 1 378.432 3.997 20 5 GHBDMN Cc1ccc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1Br ZINC000332462748 899686109 /nfs/dbraw/zinc/68/61/09/899686109.db2.gz QUDYUCKZUSKBHH-UHFFFAOYSA-N 0 1 379.258 3.699 20 5 GHBDMN O=[N+]([O-])c1ccc(CNC[C@@H](O)c2ccc(OC(F)(F)F)cc2)c(Cl)c1 ZINC000824861527 899842442 /nfs/dbraw/zinc/84/24/42/899842442.db2.gz MOVKQRBLGMJDJW-OAHLLOKOSA-N 0 1 390.745 3.970 20 5 GHBDMN O=[N+]([O-])c1ncccc1CN1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000886059680 900697843 /nfs/dbraw/zinc/69/78/43/900697843.db2.gz KFQNZVWPYQXFRB-HNNXBMFYSA-N 0 1 383.383 3.559 20 5 GHBDMN CSCc1n[nH]c(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)n1 ZINC000886327330 900937130 /nfs/dbraw/zinc/93/71/30/900937130.db2.gz GKWGOUUFVFXHLJ-UHFFFAOYSA-N 0 1 375.479 3.594 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1CN(Cc1cccc(O)c1)[C@H]1CC[C@H](O)CC1 ZINC000577121727 902519311 /nfs/dbraw/zinc/51/93/11/902519311.db2.gz INAJPBNFJQLCRZ-UAPYVXQJSA-N 0 1 386.448 3.615 20 5 GHBDMN O=C([O-])/C=C\c1ccc(OCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000846237702 902811576 /nfs/dbraw/zinc/81/15/76/902811576.db2.gz RGQNICYULWOPHX-WDZFZDKYSA-N 0 1 382.416 3.736 20 5 GHBDMN CCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000577790180 903194817 /nfs/dbraw/zinc/19/48/17/903194817.db2.gz APFZTRPVOOZOMP-UHFFFAOYSA-N 0 1 390.339 3.857 20 5 GHBDMN CC[C@@](C)(NCCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1nc(C)cs1 ZINC000173945077 905167342 /nfs/dbraw/zinc/16/73/42/905167342.db2.gz IIGURLZZJBVYJT-GOSISDBHSA-N 0 1 392.481 3.612 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C[C@@H](C)n2c(CN)ncc2-c2ccccc2)c1F ZINC001173177408 906254942 /nfs/dbraw/zinc/25/49/42/906254942.db2.gz BKHAQSICYRBTMB-CYBMUJFWSA-N 0 1 384.411 3.868 20 5 GHBDMN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCN(c2nccc3ccccc32)CC1 ZINC001173225441 906309869 /nfs/dbraw/zinc/30/98/69/906309869.db2.gz CEDWZNAIJAMUQB-QGZVFWFLSA-N 0 1 376.460 3.896 20 5 GHBDMN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1Cc2ccccc2C[C@H]1C(=O)NC(C)(C)C ZINC001173235867 906321991 /nfs/dbraw/zinc/32/19/91/906321991.db2.gz ZUXXLNYQRZGVIW-KKSFZXQISA-N 0 1 395.503 3.867 20 5 GHBDMN Cc1c([C@H](C)Nc2cccc(CN3CCC[C@@H]3C(N)=O)c2)cccc1[N+](=O)[O-] ZINC000183006421 907311435 /nfs/dbraw/zinc/31/14/35/907311435.db2.gz VZWCDXOSVLMSHS-MGPUTAFESA-N 0 1 382.464 3.526 20 5 GHBDMN COc1cccc(C(=O)N2CCC[C@H](c3nc4ccc(C)cc4[nH]3)C2)c1[N+](=O)[O-] ZINC000192818098 907929570 /nfs/dbraw/zinc/92/95/70/907929570.db2.gz GJBQNOFZQHXFGI-AWEZNQCLSA-N 0 1 394.431 3.808 20 5 GHBDMN COc1cc2c(cc1OC)C1(CCC1)N(C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC001176192737 907967702 /nfs/dbraw/zinc/96/77/02/907967702.db2.gz BTBZKRZDXZDXDA-IBGZPJMESA-N 0 1 398.459 3.583 20 5 GHBDMN CC(C)c1cc([C@@H]2CCCN(C(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)C2)n[nH]1 ZINC001177057470 908385456 /nfs/dbraw/zinc/38/54/56/908385456.db2.gz FCXKOUQWBJLSOT-CYBMUJFWSA-N 0 1 381.436 3.942 20 5 GHBDMN CCOc1ccc([N+](=O)[O-])cc1CNC[C@H](O)c1ccccc1C(F)(F)F ZINC001177548286 908639064 /nfs/dbraw/zinc/63/90/64/908639064.db2.gz CVQBRRHFLAOQJF-INIZCTEOSA-N 0 1 384.354 3.836 20 5 GHBDMN COc1ccc(CN[C@@H](C)c2ccc(OCc3nccn3C)cc2)cc1[N+](=O)[O-] ZINC000268797757 910022745 /nfs/dbraw/zinc/02/27/45/910022745.db2.gz FDXLFXPPWUENEG-HNNXBMFYSA-N 0 1 396.447 3.767 20 5 GHBDMN C[C@H]1CCC[C@@H](N(C)CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)C1 ZINC000795408825 910241520 /nfs/dbraw/zinc/24/15/20/910241520.db2.gz MKBDZJURHWZEOR-WCQYABFASA-N 0 1 396.285 3.781 20 5 GHBDMN CCOc1ccc([C@@H](C)NCc2ccc(OC)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000271022597 910759273 /nfs/dbraw/zinc/75/92/73/910759273.db2.gz ATJJGRKNRHQZFK-GFCCVEGCSA-N 0 1 375.381 3.761 20 5 GHBDMN Cc1ccc2c(=O)c3cccc(CC(=O)N[C@]4(C)CCCN(C)C4)c3oc2c1C ZINC001182513351 911824860 /nfs/dbraw/zinc/82/48/60/911824860.db2.gz FDAGGMPPLXDWIO-XMMPIXPASA-N 0 1 392.499 3.706 20 5 GHBDMN Cc1ccc([N+](=O)[O-])c(N2CC[C@@]3(C2)CN(Cc2ccccc2)C[C@@H](C)O3)c1 ZINC001187430827 915285648 /nfs/dbraw/zinc/28/56/48/915285648.db2.gz QGYPHORHTSNMNB-GCJKJVERSA-N 0 1 381.476 3.773 20 5 GHBDMN Cc1c(CSc2nc(-c3ccc4c(c3)OCCO4)n[nH]2)cccc1[N+](=O)[O-] ZINC001189033994 916353295 /nfs/dbraw/zinc/35/32/95/916353295.db2.gz JFCNPYVJMNKKHO-UHFFFAOYSA-N 0 1 384.417 3.752 20 5 GHBDMN COc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])n2)cc1 ZINC000006141810 916487851 /nfs/dbraw/zinc/48/78/51/916487851.db2.gz IYAHOASQMGJHBC-NSHDSACASA-N 0 1 399.432 3.508 20 5 GHBDMN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000801524064 921094529 /nfs/dbraw/zinc/09/45/29/921094529.db2.gz NYHWTTBSRPLYIP-DZGCQCFKSA-N 0 1 381.448 3.859 20 5 GHBDMN O=C([O-])[C@@H]1[C@@H]2CC[N@@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C[C@@H]21 ZINC000902553562 922275484 /nfs/dbraw/zinc/27/54/84/922275484.db2.gz GFRIIMCQTLQCOE-HACGYAERSA-N 0 1 376.796 3.661 20 5 GHBDMN COc1cc([C@@H](C)N[C@H](C)c2ccc(N3CCNC3=O)cc2)cc([N+](=O)[O-])c1 ZINC000903192405 922843686 /nfs/dbraw/zinc/84/36/86/922843686.db2.gz MHJONDPWYKNIOA-ZIAGYGMSSA-N 0 1 384.436 3.545 20 5 GHBDMN O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000903700333 923218849 /nfs/dbraw/zinc/21/88/49/923218849.db2.gz BRMSUHICJOQGNE-DGFSRKRXSA-N 0 1 383.242 3.575 20 5 GHBDMN Cc1nn(CN2CCC[C@@H](c3nc4ccccc4o3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000748451011 923648219 /nfs/dbraw/zinc/64/82/19/923648219.db2.gz VZHABRCWINOBBT-CQSZACIVSA-N 0 1 392.419 3.626 20 5 GHBDMN O=C1CCC2=C(CCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C2)N1 ZINC000826779796 924180868 /nfs/dbraw/zinc/18/08/68/924180868.db2.gz DDYHWMBTORSLAB-UHFFFAOYSA-N 0 1 387.823 3.878 20 5 GHBDMN Cc1nc2ccc(NC(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)cc2[nH]1 ZINC000010895903 924448438 /nfs/dbraw/zinc/44/84/38/924448438.db2.gz ZJACSTGRIZXQGP-UHFFFAOYSA-N 0 1 379.420 3.635 20 5 GHBDMN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000409453493 924634274 /nfs/dbraw/zinc/63/42/74/924634274.db2.gz PFOJXFSBBYTVEI-PBHICJAKSA-N 0 1 379.416 3.906 20 5 GHBDMN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000409453498 924634587 /nfs/dbraw/zinc/63/45/87/924634587.db2.gz PFOJXFSBBYTVEI-RHSMWYFYSA-N 0 1 379.416 3.906 20 5 GHBDMN O=[N+]([O-])c1cc(CNCc2cc(-c3cccnc3)n[nH]2)cc(C(F)(F)F)c1 ZINC000373309987 926009485 /nfs/dbraw/zinc/00/94/85/926009485.db2.gz STZYRVMTJXWMEK-UHFFFAOYSA-N 0 1 377.326 3.689 20 5 GHBDMN CC(C)Oc1cc(C(=O)NC[C@@H](c2cccc(F)c2)N(C)C)ccc1[N+](=O)[O-] ZINC000411156163 926140302 /nfs/dbraw/zinc/14/03/02/926140302.db2.gz OSILPKUHOQBWPE-SFHVURJKSA-N 0 1 389.427 3.554 20 5 GHBDMN COc1ccc(Br)cc1CN(C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000749648934 927223112 /nfs/dbraw/zinc/22/31/12/927223112.db2.gz VDBMOTXUZSIUIQ-MRXNPFEDSA-N 0 1 395.253 3.531 20 5 GHBDMN Cc1c(F)cccc1NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000467079496 928670857 /nfs/dbraw/zinc/67/08/57/928670857.db2.gz ORLABKJTUVJWHQ-UHFFFAOYSA-N 0 1 389.202 3.606 20 5 GHBDMN COc1ccc(C2CCN([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)CC2)cc1 ZINC000467168565 928781795 /nfs/dbraw/zinc/78/17/95/928781795.db2.gz JJBKDMHSMIYKAV-NRFANRHFSA-N 0 1 395.459 3.588 20 5 GHBDMN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000467697827 929312637 /nfs/dbraw/zinc/31/26/37/929312637.db2.gz ZOPLJDMYHGCACL-XYJFISCASA-N 0 1 399.516 3.855 20 5 GHBDMN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000467697826 929313184 /nfs/dbraw/zinc/31/31/84/929313184.db2.gz ZOPLJDMYHGCACL-SOLBZPMBSA-N 0 1 399.516 3.855 20 5 GHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H](C2CCCC2)C(F)(F)F)c(Cl)c1 ZINC000544667807 929410258 /nfs/dbraw/zinc/41/02/58/929410258.db2.gz DOUXBMDTKQJPEF-LBPRGKRZSA-N 0 1 386.779 3.648 20 5 GHBDMN CC[C@H]1CN(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000544770495 929561354 /nfs/dbraw/zinc/56/13/54/929561354.db2.gz ZWIDBIASCCCVCT-SFHVURJKSA-N 0 1 398.463 3.732 20 5 GHBDMN CC(C)(C)OC(=O)N1CCc2cc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)ccc21 ZINC000780467222 930527790 /nfs/dbraw/zinc/52/77/90/930527790.db2.gz STWGZMKEBYAXEG-UHFFFAOYSA-N 0 1 399.403 3.850 20 5 GHBDMN Cc1nc2cc(NS(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)ccc2s1 ZINC000781120472 930707017 /nfs/dbraw/zinc/70/70/17/930707017.db2.gz MEVXECFYHKZATF-UHFFFAOYSA-N 0 1 383.838 3.967 20 5 GHBDMN Cc1n[nH]c(C(F)F)c1NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000781357762 930811475 /nfs/dbraw/zinc/81/14/75/930811475.db2.gz UKAVZWLPKNJEPO-UHFFFAOYSA-N 0 1 393.119 3.718 20 5 GHBDMN COc1ccc(Cl)cc1CN(C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000782470587 931233883 /nfs/dbraw/zinc/23/38/83/931233883.db2.gz ZFPIIEQTVIAUAW-UHFFFAOYSA-N 0 1 395.818 3.857 20 5 GHBDMN Cc1cc(C)cc([C@H]2CCN(Cn3cc([N+](=O)[O-])c(-c4ccncc4)n3)C2)c1 ZINC000784029679 931760841 /nfs/dbraw/zinc/76/08/41/931760841.db2.gz NFJJPSQEXIZNTD-SFHVURJKSA-N 0 1 377.448 3.917 20 5 GHBDMN COc1ccc2c(c1)CCC[C@H]2N(C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000558060437 931820950 /nfs/dbraw/zinc/82/09/50/931820950.db2.gz NMYXBLJOROJNIO-HXUWFJFHSA-N 0 1 395.459 3.502 20 5 GHBDMN O=C(CN[C@H](CCO)c1ccc(Cl)cc1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000558142210 931855997 /nfs/dbraw/zinc/85/59/97/931855997.db2.gz AXMHRPBLUJIFRT-CQSZACIVSA-N 0 1 398.246 3.553 20 5 GHBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1ccc(Cl)c2ncccc12 ZINC000558745718 932207514 /nfs/dbraw/zinc/20/75/14/932207514.db2.gz GNNKAUCNQQKGDZ-UHFFFAOYSA-N 0 1 394.778 3.834 20 5 GHBDMN O=C(NCC1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1)C(F)(F)F ZINC000798403147 932632920 /nfs/dbraw/zinc/63/29/20/932632920.db2.gz MXIFCZVZPAGZPI-UHFFFAOYSA-N 0 1 399.291 3.509 20 5 GHBDMN O=C(c1cc([N+](=O)[O-])ccc1Sc1ccccc1)N1CCc2nc[nH]c2C1 ZINC000929082037 933233859 /nfs/dbraw/zinc/23/38/59/933233859.db2.gz UPRFGBJPWDMLTO-UHFFFAOYSA-N 0 1 380.429 3.668 20 5 GHBDMN Cc1cccc(CN2CCCC[C@@H]2C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001116135052 933355227 /nfs/dbraw/zinc/35/52/27/933355227.db2.gz CCDPDNXGNAPXJQ-OAQYLSRUSA-N 0 1 379.460 3.800 20 5 GHBDMN Cc1ccc(CN2CCCN(C(=O)CCc3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC001116243667 933432358 /nfs/dbraw/zinc/43/23/58/933432358.db2.gz WEFDSQUTSAXLJY-UHFFFAOYSA-N 0 1 381.476 3.570 20 5 GHBDMN CCCCCC[C@@](O)(C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)C(=O)[O-] ZINC001595696253 982226551 /nfs/dbraw/zinc/22/65/51/982226551.db2.gz DWONHKZPZVWEQZ-FXAWDEMLSA-N 0 1 378.469 3.560 20 5 GHBDMN CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+](C)C2(C(=O)[O-])CCCC2)cc1OC ZINC001594964652 982719806 /nfs/dbraw/zinc/71/98/06/982719806.db2.gz OARYLRSWECQLTJ-CQSZACIVSA-N 0 1 394.468 3.858 20 5 GHBDMN CN(Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001598507552 992525702 /nfs/dbraw/zinc/52/57/02/992525702.db2.gz SSZPBWZSHANPHS-FQEVSTJZSA-N 0 1 397.475 3.780 20 5 GHBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000468626489 1015857092 /nfs/dbraw/zinc/85/70/92/1015857092.db2.gz FIAMAPSNLSGVFX-KAMYIIQDSA-N 0 1 394.880 3.715 20 5 GHBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCc1nnc2ccc(C(F)(F)F)cn21 ZINC000468628818 1015857742 /nfs/dbraw/zinc/85/77/42/1015857742.db2.gz GOJKAROZMQRURO-GHXNOFRVSA-N 0 1 391.353 3.849 20 5 GHBDMN O=c1nc2ccc([N+](=O)[O-])cc2c(O[C@@H](c2ccccc2)C2CCOCC2)[nH]1 ZINC001227097250 1032269438 /nfs/dbraw/zinc/26/94/38/1032269438.db2.gz YLHALUXHCRPVEW-SFHVURJKSA-N 0 1 381.388 3.790 20 5 GHBDMN O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2CCN3CCc4ccccc4[C@@H]3C2)c1 ZINC001155102961 1032415712 /nfs/dbraw/zinc/41/57/12/1032415712.db2.gz HKSCVQFLLSMHQC-SFHVURJKSA-N 0 1 395.850 3.611 20 5 GHBDMN CSc1nc(O[C@H]2CCc3ccc(Br)cc32)c([N+](=O)[O-])c(=O)[nH]1 ZINC001227625510 1032490494 /nfs/dbraw/zinc/49/04/94/1032490494.db2.gz YWIUKVSQTGUVFX-JTQLQIEISA-N 0 1 398.238 3.641 20 5 GHBDMN CC(C)(NC(=O)c1ccc(CN2CCSCC2)cc1)c1ccccc1[N+](=O)[O-] ZINC000561695015 1017923780 /nfs/dbraw/zinc/92/37/80/1017923780.db2.gz AZVPNVIJVDPXGI-UHFFFAOYSA-N 0 1 399.516 3.809 20 5 GHBDMN O=[N+]([O-])c1c(F)cc(F)cc1OC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC001228613056 1033007435 /nfs/dbraw/zinc/00/74/35/1033007435.db2.gz OKYPTRRBCKXYCS-MRXNPFEDSA-N 0 1 378.375 3.543 20 5 GHBDMN C[C@H](NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1csc2ccccc12 ZINC000754730217 1022863095 /nfs/dbraw/zinc/86/30/95/1022863095.db2.gz HDYWIUWCZQZQIM-NSHDSACASA-N 0 1 399.428 3.828 20 5 GHBDMN CC[C@@H](NS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)c1nccs1 ZINC000830589979 1024003026 /nfs/dbraw/zinc/00/30/26/1024003026.db2.gz WRRJYSASIOAPHF-MRVPVSSYSA-N 0 1 396.277 3.788 20 5 GHBDMN CC(C)OC1CC(N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)C1 ZINC000838817181 1025386176 /nfs/dbraw/zinc/38/61/76/1025386176.db2.gz LOOAPCDLAROUNX-UHFFFAOYSA-N 0 1 387.402 3.692 20 5 GHBDMN O=[N+]([O-])c1cc(CO)c(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)cc1F ZINC001162078519 1025590629 /nfs/dbraw/zinc/59/06/29/1025590629.db2.gz AORZGQYDOMXOOM-UHFFFAOYSA-N 0 1 380.788 3.816 20 5 GHBDMN O=C(CCOc1ccccc1[N+](=O)[O-])Nc1ccccc1Nc1ccncc1 ZINC001139685102 1026538984 /nfs/dbraw/zinc/53/89/84/1026538984.db2.gz VZSXREOCXFJFCL-UHFFFAOYSA-N 0 1 378.388 3.563 20 5 GHBDMN O=[N+]([O-])c1ccc2nc(Cl)nc(N3CC4(CN(Cc5ccccc5)C4)C3)c2c1 ZINC001165122612 1026617895 /nfs/dbraw/zinc/61/78/95/1026617895.db2.gz GUHJUHMFMJONHZ-UHFFFAOYSA-N 0 1 395.850 3.514 20 5 GHBDMN O=[N+]([O-])c1ccc2nc(Cl)c(NCC3CN(Cc4ccccc4)C3)nc2c1 ZINC001165426993 1026724219 /nfs/dbraw/zinc/72/42/19/1026724219.db2.gz HATWEUVJNHBPBL-UHFFFAOYSA-N 0 1 383.839 3.735 20 5 GHBDMN CON(C)C(=O)[C@@H](C)NCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC001203300429 1027267043 /nfs/dbraw/zinc/26/70/43/1027267043.db2.gz JNRRODRUSJDHQW-GFCCVEGCSA-N 0 1 393.827 3.538 20 5 GHBDMN COc1cccc([C@H]2C[C@H](N(C)Cn3cnc(-c4ccc([N+](=O)[O-])cc4)n3)C2)c1 ZINC000840148555 1027281231 /nfs/dbraw/zinc/28/12/31/1027281231.db2.gz QDBIXPNJLNXCCN-UAPYVXQJSA-N 0 1 393.447 3.697 20 5 GHBDMN Cc1nc([C@H](C)OC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)n[nH]1 ZINC000840217020 1027352045 /nfs/dbraw/zinc/35/20/45/1027352045.db2.gz AWJWFOXTNJDOCC-RYUDHWBXSA-N 0 1 396.407 3.507 20 5 GHBDMN CC(C)(C)OC(=O)N1CCC[C@@H]1c1cc(Nc2ccc([N+](=O)[O-])nc2)on1 ZINC001203569445 1027441183 /nfs/dbraw/zinc/44/11/83/1027441183.db2.gz FRXBVGXYLKEKFX-CYBMUJFWSA-N 0 1 375.385 3.793 20 5 GHBDMN COc1ccc(Nc2ccc(O)c([N+](=O)[O-])c2)cc1I ZINC001210401376 1027492347 /nfs/dbraw/zinc/49/23/47/1027492347.db2.gz URZNTWVFHHKYFO-UHFFFAOYSA-N 0 1 386.145 3.657 20 5 GHBDMN O=[N+]([O-])c1ccc(F)c(-c2nc(-c3ncccc3/C=C/N3CCCC3)no2)c1 ZINC001215673068 1029339116 /nfs/dbraw/zinc/33/91/16/1029339116.db2.gz IMGSKUYLQLWXSL-YRNVUSSQSA-N 0 1 381.367 3.912 20 5 GHBDMN COc1ccc(-c2noc(-c3cc(O)cc([N+](=O)[O-])c3)n2)c(OC(F)(F)F)c1 ZINC001216924299 1030004650 /nfs/dbraw/zinc/00/46/50/1030004650.db2.gz CJNZDLYGWLBLBU-UHFFFAOYSA-N 0 1 397.265 3.925 20 5 GHBDMN O=C1SCCN1Cc1ccccc1-c1noc(-c2cc(O)cc([N+](=O)[O-])c2)n1 ZINC001216925532 1030005749 /nfs/dbraw/zinc/00/57/49/1030005749.db2.gz QGSNMDWVFSDJNG-UHFFFAOYSA-N 0 1 398.400 3.686 20 5 GHBDMN O=c1c2cc(O[C@@H]3C[NH2+]Cc4ccccc43)c([O-])cc2oc2cccc(O)c12 ZINC001218488474 1030959060 /nfs/dbraw/zinc/95/90/60/1030959060.db2.gz XNSXNVUCCJJYCN-HXUWFJFHSA-N 0 1 375.380 3.581 20 5 GHBDMN Cc1cc(C[C@@H](C)NC(=O)[C@@H](N)Cc2c3ccccc3cc3ccccc32)on1 ZINC001218501384 1030963559 /nfs/dbraw/zinc/96/35/59/1030963559.db2.gz QMYCSBWJMCGRQU-CMJOXMDJSA-N 0 1 387.483 3.907 20 5 GHBDMN Cc1ccc(CN2CC[C@H](NC(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)C2)cc1 ZINC001152419814 1031233588 /nfs/dbraw/zinc/23/35/88/1031233588.db2.gz ULDKLVNOQGWYJX-RDJZCZTQSA-N 0 1 385.439 3.537 20 5 GHBDMN CC(C)(C)OC(=O)N1C[C@H]2CCC[C@@H](C1)C2Oc1cc(O)ccc1[N+](=O)[O-] ZINC001225488239 1031437242 /nfs/dbraw/zinc/43/72/42/1031437242.db2.gz DGZVLKITJSUCAI-MPYYAJLASA-N 0 1 378.425 3.715 20 5 GHBDMN O=[N+]([O-])c1c([O-])ccnc1OC1C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC001225662987 1031528440 /nfs/dbraw/zinc/52/84/40/1031528440.db2.gz WVEBWXOBRPHRQI-UHFFFAOYSA-N 0 1 377.400 3.548 20 5 GHBDMN C[C@H](NC(=O)c1cc(Br)cc(F)c1O)c1ccccc1[N+](=O)[O-] ZINC001154109605 1031931840 /nfs/dbraw/zinc/93/18/40/1031931840.db2.gz GCZQNMHBLUBBRJ-QMMMGPOBSA-N 0 1 383.173 3.693 20 5 GHBDMN CCC(=O)c1cc(Br)cc([N+](=O)[O-])c1O[C@@H]1CCN(C(C)C)C1 ZINC001229245062 1033365072 /nfs/dbraw/zinc/36/50/72/1033365072.db2.gz WVQLIMROLJCWEU-GFCCVEGCSA-N 0 1 385.258 3.812 20 5 GHBDMN COCCC[NH+]1CCC(Oc2ccc3c(c2)oc2cc([O-])ccc2c3=O)CC1 ZINC001229514469 1033532182 /nfs/dbraw/zinc/53/21/82/1033532182.db2.gz IIOCHOOSYZTGSZ-UHFFFAOYSA-N 0 1 383.444 3.532 20 5 GHBDMN O=c1oc2cc(OC[C@H]3COc4cscc4O3)ccc2c2ccc(O)cc12 ZINC001229797412 1033723370 /nfs/dbraw/zinc/72/33/70/1033723370.db2.gz ANAXJANNZOJCFJ-ZDUSSCGKSA-N 0 1 382.393 3.932 20 5 GHBDMN COC(=O)c1cc([N+](=O)[O-])c(C)cc1O[C@@H]1CCCN([C@@H](C)c2ccccn2)C1 ZINC001229959824 1033818197 /nfs/dbraw/zinc/81/81/97/1033818197.db2.gz GRUXQGRNIKUFLV-JKSUJKDBSA-N 0 1 399.447 3.689 20 5 GHBDMN COc1c(O)cc2oc(-c3ccccc3)cc(=O)c2c1O[C@@H](C[N+](=O)[O-])C1CC1 ZINC001230088290 1033892172 /nfs/dbraw/zinc/89/21/72/1033892172.db2.gz FCQYYMZPUMRSNM-SFHVURJKSA-N 0 1 397.383 3.608 20 5 GHBDMN CC(C)(C)OC(=O)N1CCCC[C@H](Oc2cc3[nH]ncc3cc2[N+](=O)[O-])C1 ZINC001230596964 1034139425 /nfs/dbraw/zinc/13/94/25/1034139425.db2.gz YMQPWFNBZSEMQL-ZDUSSCGKSA-N 0 1 376.413 3.640 20 5 GHBDMN O=[N+]([O-])c1cccc2ncnc(O[C@@H]3CCN(Cc4ccccc4Cl)C3)c21 ZINC001231055376 1034368261 /nfs/dbraw/zinc/36/82/61/1034368261.db2.gz INWLAZKJZURYEU-CQSZACIVSA-N 0 1 384.823 3.845 20 5 GHBDMN CCCC(=O)Nc1c(O[C@@H]2CCN([C@@H](C)c3ccccn3)C2)cccc1[N+](=O)[O-] ZINC001231360964 1034535554 /nfs/dbraw/zinc/53/55/54/1034535554.db2.gz BOYKVFTWJDBPFO-JKSUJKDBSA-N 0 1 398.463 3.943 20 5 GHBDMN Cc1ccnc(O[C@@H]2CCCN(Cc3ccc4ccc5cccnc5c4n3)C2)n1 ZINC001232229047 1035173160 /nfs/dbraw/zinc/17/31/60/1035173160.db2.gz YKTMPKQGCADYRC-HXUWFJFHSA-N 0 1 385.471 3.925 20 5 GHBDMN O=[N+]([O-])c1cc(Cc2nc(-c3ncccc3/C=C/N3CCCC3)no2)ccc1F ZINC001248357957 1035778322 /nfs/dbraw/zinc/77/83/22/1035778322.db2.gz HRUAIOKNJGUSIJ-YRNVUSSQSA-N 0 1 395.394 3.836 20 5 GHBDMN O=C(N[C@@]12CC[N@@H+](C1)CCC2)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC001462286074 1070143875 /nfs/dbraw/zinc/14/38/75/1070143875.db2.gz WZTISDYWMQNSSI-FQEVSTJZSA-N 0 1 383.473 3.714 20 5 GHBDMN COC(=O)c1ccc(O[C@@H]2CC[N@@H+](Cc3ccccc3Cl)C2)cc1[N+](=O)[O-] ZINC001234057322 1039790873 /nfs/dbraw/zinc/79/08/73/1039790873.db2.gz LBXMMVHVJUTXSI-OAHLLOKOSA-N 0 1 390.823 3.688 20 5 GHBDMN COC(=O)c1ccc(O[C@@H]2CCN(Cc3ccccc3Cl)C2)cc1[N+](=O)[O-] ZINC001234057322 1039790892 /nfs/dbraw/zinc/79/08/92/1039790892.db2.gz LBXMMVHVJUTXSI-OAHLLOKOSA-N 0 1 390.823 3.688 20 5 GHBDMN O=C(c1ccco1)C(Oc1cc(N2CCOCC2)ccc1[N+](=O)[O-])c1ccco1 ZINC001234360323 1039984357 /nfs/dbraw/zinc/98/43/57/1039984357.db2.gz PMUPSMNYLLIVNL-HXUWFJFHSA-N 0 1 398.371 3.620 20 5 GHBDMN O=C(c1ccco1)[C@H](Oc1cc(N2CCOCC2)ccc1[N+](=O)[O-])c1ccco1 ZINC001234360323 1039984363 /nfs/dbraw/zinc/98/43/63/1039984363.db2.gz PMUPSMNYLLIVNL-HXUWFJFHSA-N 0 1 398.371 3.620 20 5 GHBDMN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC001254552658 1040320712 /nfs/dbraw/zinc/32/07/12/1040320712.db2.gz ODMZZBIAPZAYBM-OAHLLOKOSA-N 0 1 380.448 3.918 20 5 GHBDMN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCC(Oc2cc(Cl)ncn2)CC1 ZINC001254561068 1040334552 /nfs/dbraw/zinc/33/45/52/1040334552.db2.gz FAAMLDMGQRUDGH-ZDUSSCGKSA-N 0 1 376.844 3.513 20 5 GHBDMN CCOc1ccccc1-c1cc(C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)n[nH]1 ZINC001294209802 1044525676 /nfs/dbraw/zinc/52/56/76/1044525676.db2.gz CGHUQRUDOCPOQX-UHFFFAOYSA-N 0 1 378.388 3.540 20 5 GHBDMN CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@@](CO)(C(C)C)C2)cc1OC ZINC001261200212 1045917579 /nfs/dbraw/zinc/91/75/79/1045917579.db2.gz PXVVBCNPNBIZRT-IIBYNOLFSA-N 0 1 394.512 3.869 20 5 GHBDMN Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2nc3cc(Cl)c(F)cc3[nH]2)c1 ZINC001301277077 1046448204 /nfs/dbraw/zinc/44/82/04/1046448204.db2.gz BNTTYPWRENKWGP-UHFFFAOYSA-N 0 1 392.774 3.980 20 5 GHBDMN CC[C@H](c1ccccc1)N1CCN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC001265498135 1047619688 /nfs/dbraw/zinc/61/96/88/1047619688.db2.gz QSUDTSJMXQKUKL-HXUWFJFHSA-N 0 1 399.466 3.962 20 5 GHBDMN O=C(Nc1n[nH]c2nc(C(F)(F)F)ccc12)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001305700339 1048222306 /nfs/dbraw/zinc/22/23/06/1048222306.db2.gz HQJNLIJAWGGXPV-UHFFFAOYSA-N 0 1 390.281 3.619 20 5 GHBDMN CC(C)N1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2(C)CCC2)CC1 ZINC001287996950 1048964303 /nfs/dbraw/zinc/96/43/03/1048964303.db2.gz DGZXXQNPFCTPTK-UHFFFAOYSA-N 0 1 398.511 3.574 20 5 GHBDMN CN(Cc1cscc1Br)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC001288407650 1049078728 /nfs/dbraw/zinc/07/87/28/1049078728.db2.gz JAGAVLHNAGKPPP-UHFFFAOYSA-N 0 1 395.238 3.567 20 5 GHBDMN O=C([O-])[C@]12C[N@@H+](Cc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)C[C@H]1CCCC2 ZINC000901912625 1049205823 /nfs/dbraw/zinc/20/58/23/1049205823.db2.gz AMQXXTTXDPMIOH-DYESRHJHSA-N 0 1 387.480 3.662 20 5 GHBDMN CC[C@H](CC(=O)Nc1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-])c1ccccc1 ZINC001289291905 1049406669 /nfs/dbraw/zinc/40/66/69/1049406669.db2.gz JIVPLAOSLSJPFS-QGZVFWFLSA-N 0 1 396.491 3.869 20 5 GHBDMN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1CCC[C@@H]1Cc1ccccc1 ZINC001290468457 1049848179 /nfs/dbraw/zinc/84/81/79/1049848179.db2.gz ILHPGJZZAFJUBH-GOSISDBHSA-N 0 1 376.416 3.832 20 5 GHBDMN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNC[C@H](O)c1c(F)cccc1F ZINC001308939129 1050199431 /nfs/dbraw/zinc/19/94/31/1050199431.db2.gz UUWUQCMZQZUCEF-AWEZNQCLSA-N 0 1 376.281 3.715 20 5 GHBDMN CC[C@H](C)c1nc([C@H](C)Nc2ncnc3c(Cl)cc([N+](=O)[O-])cc23)n[nH]1 ZINC001327697600 1050256594 /nfs/dbraw/zinc/25/65/94/1050256594.db2.gz HGZVZOIWRCBJPS-IUCAKERBSA-N 0 1 375.820 3.996 20 5 GHBDMN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](CC(C)(C)C)C(F)(F)F)c1C ZINC001309357361 1050630116 /nfs/dbraw/zinc/63/01/16/1050630116.db2.gz MQRHZIXEUPRZGX-LBPRGKRZSA-N 0 1 382.404 3.857 20 5 GHBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@H]1CCCc2ccc(Cl)cc21 ZINC001309757576 1050957700 /nfs/dbraw/zinc/95/77/00/1050957700.db2.gz ONPRYIZMFPLUJN-AWEZNQCLSA-N 0 1 384.816 3.743 20 5 GHBDMN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC2(CN(Cc3ccccc3)C2)C1 ZINC001310436519 1051356272 /nfs/dbraw/zinc/35/62/72/1051356272.db2.gz WUUQNLVSHMOIJJ-UHFFFAOYSA-N 0 1 380.448 3.561 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@H](c2cc(C(C)C)[nH]n2)C1 ZINC001310594609 1051475413 /nfs/dbraw/zinc/47/54/13/1051475413.db2.gz ILVYEUXDLJOJHS-ZDUSSCGKSA-N 0 1 387.440 3.861 20 5 GHBDMN Cc1cc(NC(=O)Nc2ccc(N3CCN(C)CC3)cc2C)cc([N+](=O)[O-])c1 ZINC001311320224 1052017648 /nfs/dbraw/zinc/01/76/48/1052017648.db2.gz HXXRVIJPCHLNGA-UHFFFAOYSA-N 0 1 383.452 3.607 20 5 GHBDMN O=C(NCc1cnc(-c2ccccc2)s1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001344567360 1054569382 /nfs/dbraw/zinc/56/93/82/1054569382.db2.gz JDGSUWMCOQHGKA-UHFFFAOYSA-N 0 1 379.401 3.525 20 5 GHBDMN CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2nc(-c3ccccn3)[nH]c2c1 ZINC001319876660 1055516416 /nfs/dbraw/zinc/51/64/16/1055516416.db2.gz FGTQTXAFHWRFGP-UHFFFAOYSA-N 0 1 388.387 3.827 20 5 GHBDMN COc1ccc(C[C@@H](C)N(C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC001322221966 1056579366 /nfs/dbraw/zinc/57/93/66/1056579366.db2.gz LPCMKFZORBVPTA-CQSZACIVSA-N 0 1 382.420 3.716 20 5 GHBDMN COc1cc(CN2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c([N+](=O)[O-])cc1OC ZINC001324716976 1057210347 /nfs/dbraw/zinc/21/03/47/1057210347.db2.gz UOBLWTQKILQEFH-CQSZACIVSA-N 0 1 396.447 3.868 20 5 GHBDMN COC(=O)[C@H](C)c1ccc(NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)cc1 ZINC001451302953 1060759185 /nfs/dbraw/zinc/75/91/85/1060759185.db2.gz RQLCTVSYYIQABS-GFCCVEGCSA-N 0 1 394.387 3.514 20 5 GHBDMN O=C(NCc1ccc(Br)cc1Oc1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC001435125893 1062317709 /nfs/dbraw/zinc/31/77/09/1062317709.db2.gz UEBZHLPPYXJEMB-HUUCEWRRSA-N 0 1 391.221 3.523 20 5 GHBDMN O=C(Nc1nccc2c1cccc2[N+](=O)[O-])c1ccc2ccc(O)cc2c1O ZINC001457893815 1063425612 /nfs/dbraw/zinc/42/56/12/1063425612.db2.gz LWFAPMQORTXUQE-UHFFFAOYSA-N 0 1 375.340 3.960 20 5 GHBDMN CC(C)(C)OC(=O)N1CCN(CCCCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC001458590039 1063901394 /nfs/dbraw/zinc/90/13/94/1063901394.db2.gz XXXFGFZZEBFPPL-UHFFFAOYSA-N 0 1 392.500 3.730 20 5 GHBDMN O=[N+]([O-])c1cnc(N2CCN[C@H](c3ccc(Cl)cc3)C2)c(Br)c1 ZINC001458722319 1063926519 /nfs/dbraw/zinc/92/65/19/1063926519.db2.gz ZLRJFUMAQIODQU-AWEZNQCLSA-N 0 1 397.660 3.557 20 5 GHBDMN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)CCCOc1ccc(Cl)cc1 ZINC001459327247 1064063862 /nfs/dbraw/zinc/06/38/62/1064063862.db2.gz RXQHTZCCTSCMAZ-AWEZNQCLSA-N 0 1 391.855 3.976 20 5 GHBDMN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)CCCOc1ccc(Cl)cc1 ZINC001459327247 1064063868 /nfs/dbraw/zinc/06/38/68/1064063868.db2.gz RXQHTZCCTSCMAZ-AWEZNQCLSA-N 0 1 391.855 3.976 20 5 GHBDMN CCC[N@@H+](Cc1cc([O-])ccc1[N+](=O)[O-])[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001459465016 1064105563 /nfs/dbraw/zinc/10/55/63/1064105563.db2.gz GYQXIZDYTQIVOO-HNNXBMFYSA-N 0 1 379.457 3.522 20 5 GHBDMN C[C@H](COc1ccc(C(C)(C)C)cc1)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001351295381 1064356577 /nfs/dbraw/zinc/35/65/77/1064356577.db2.gz HSUANEUUYNNIPT-CYBMUJFWSA-N 0 1 396.447 3.966 20 5 GHBDMN CN1CCCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)c2ccc(F)cc21 ZINC001465623185 1065752852 /nfs/dbraw/zinc/75/28/52/1065752852.db2.gz QHKNPTKYNFTGHI-UHFFFAOYSA-N 0 1 395.394 3.611 20 5 GHBDMN C[C@]1(CCNS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CC1(F)F ZINC000849461678 1067853630 /nfs/dbraw/zinc/85/36/30/1067853630.db2.gz WSULEKBYLRNIIH-NSHDSACASA-N 0 1 389.207 3.615 20 5 GHBDMN C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001470376426 1068708460 /nfs/dbraw/zinc/70/84/60/1068708460.db2.gz QNPSLVABMWJKHT-IAGOWNOFSA-N 0 1 384.480 3.518 20 5 GHBDMN O=C1[C@@H](N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CCCN1c1ccccc1 ZINC001460126664 1068796751 /nfs/dbraw/zinc/79/67/51/1068796751.db2.gz DZIDJOXQYKQTDG-RXVVDRJESA-N 0 1 379.460 3.970 20 5 GHBDMN O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCCC[C@H]1Cc1ccccc1F ZINC001460359476 1068940870 /nfs/dbraw/zinc/94/08/70/1068940870.db2.gz YQGPVGSWNWACDC-ZWKOTPCHSA-N 0 1 388.439 3.571 20 5 GHBDMN COc1ccc(CN2CC[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC001460880724 1069249367 /nfs/dbraw/zinc/24/93/67/1069249367.db2.gz LUAAYZSCXASFFB-GDBMZVCRSA-N 0 1 393.484 3.586 20 5 GHBDMN O=C(N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1)c1cc([N+](=O)[O-])ccc1F ZINC001471063658 1072910648 /nfs/dbraw/zinc/91/06/48/1072910648.db2.gz PSSCYURZFQISNX-KRWDZBQOSA-N 0 1 385.439 3.909 20 5 GHBDMN CC(C)OC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)n[nH]1 ZINC001472090377 1073330784 /nfs/dbraw/zinc/33/07/84/1073330784.db2.gz BFJRYHBTYNKHPY-UHFFFAOYSA-N 0 1 392.437 3.636 20 5 GHBDMN O=C(CCc1cc(F)ccc1[N+](=O)[O-])Nc1nc(-c2cc3ccccc3o2)n[nH]1 ZINC001472558742 1073550328 /nfs/dbraw/zinc/55/03/28/1073550328.db2.gz RVZZVBDBQSIPSR-UHFFFAOYSA-N 0 1 395.350 3.837 20 5 GHBDMN CCC(CC)[C@@H](CNc1ccc([N+](=O)[O-])c(OC(F)F)c1)N1CCOCC1 ZINC001472651302 1073596360 /nfs/dbraw/zinc/59/63/60/1073596360.db2.gz YRCYBVDIYQLTPX-MRXNPFEDSA-N 0 1 387.427 3.745 20 5 GHBDMN CCCN(CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1C[C@H](OCC)C12CCCC2 ZINC001473175650 1073833341 /nfs/dbraw/zinc/83/33/41/1073833341.db2.gz NDTCUEVYLRHOEO-MOPGFXCFSA-N 0 1 389.496 3.983 20 5 GHBDMN C[C@@](O)(CN1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)C(F)(F)C(F)(F)F ZINC001473486664 1073985499 /nfs/dbraw/zinc/98/54/99/1073985499.db2.gz MKUHUPBQPSOAKS-GXTWGEPZSA-N 0 1 382.329 3.723 20 5 GHBDMN CC1(C)C[C@H](c2ccccc2)N(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC001473574781 1074023985 /nfs/dbraw/zinc/02/39/85/1074023985.db2.gz ZIVYHEKZJXQEPQ-HXUWFJFHSA-N 0 1 379.460 3.957 20 5 GHBDMN Cc1c(NC(=O)[C@H](C)N2CCN([C@H](C)c3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC001473755451 1074124489 /nfs/dbraw/zinc/12/44/89/1074124489.db2.gz NMQDPUSHZRKWMC-MSOLQXFVSA-N 0 1 396.491 3.609 20 5 GHBDMN CC(C)c1cc([C@@H]2CCCN(Cc3nnc(-c4ccccc4[N+](=O)[O-])o3)C2)[nH]n1 ZINC001473772643 1074134547 /nfs/dbraw/zinc/13/45/47/1074134547.db2.gz KKCRIFJPEVFMKM-CQSZACIVSA-N 0 1 396.451 3.871 20 5 GHBDMN CC1(C)CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@H]1c1ccccc1 ZINC001473836409 1074166118 /nfs/dbraw/zinc/16/61/18/1074166118.db2.gz DHRGSPAMEMXLKB-FQEVSTJZSA-N 0 1 393.487 4.000 20 5 GHBDMN CCN1CCN(c2ccc(Cl)cc2NC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000005089681 206590549 /nfs/dbraw/zinc/59/05/49/206590549.db2.gz MILJTQFBHQCJPL-UHFFFAOYSA-N 0 1 388.855 3.642 20 5 GHBDMN Cc1ccc(C(=O)Nc2cc(Cl)ccc2N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000016002690 207070218 /nfs/dbraw/zinc/07/02/18/207070218.db2.gz YYZVZMXVHVIKGY-UHFFFAOYSA-N 0 1 388.855 3.561 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000832482061 601972990 /nfs/dbraw/zinc/97/29/90/601972990.db2.gz WELPVVIILGBZKE-OAHLLOKOSA-N 0 1 385.203 3.826 20 5 GHBDMN CC(C)[N@@H+](CC(=O)[O-])Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000263504735 604557019 /nfs/dbraw/zinc/55/70/19/604557019.db2.gz LRWNQSKBMLERRK-UHFFFAOYSA-N 0 1 397.225 3.912 20 5 GHBDMN COc1ccc(CN[C@H](C)c2cn[nH]c2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000536051823 834502060 /nfs/dbraw/zinc/50/20/60/834502060.db2.gz IYFGIRUSGJXTMN-CQSZACIVSA-N 0 1 382.420 3.756 20 5 GHBDMN C[C@@H](c1ccncc1)N1CCC(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000155440404 837808341 /nfs/dbraw/zinc/80/83/41/837808341.db2.gz YUMQLNYYWQNXQJ-ZDUSSCGKSA-N 0 1 388.855 3.599 20 5 GHBDMN Cc1cc(N(C)Cc2ccc(C(=O)NC3CC3)cc2)c2cc([N+](=O)[O-])ccc2n1 ZINC000611918349 834982373 /nfs/dbraw/zinc/98/23/73/834982373.db2.gz ZDEKBPLMIWBJHH-UHFFFAOYSA-N 0 1 390.443 3.980 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2ccc(CN3CC[C@H](Nc4ncccn4)C3)o2)c(Cl)c1 ZINC000583753916 834984222 /nfs/dbraw/zinc/98/42/22/834984222.db2.gz QUOHURIYRWAHSZ-ZDUSSCGKSA-N 0 1 399.838 3.985 20 5 GHBDMN Cc1coc(-c2cc(NS(=O)(=O)c3csc([N+](=O)[O-])c3)ccc2C)n1 ZINC000120290226 835061319 /nfs/dbraw/zinc/06/13/19/835061319.db2.gz HSCZKHZABKFZQA-UHFFFAOYSA-N 0 1 379.419 3.729 20 5 GHBDMN COc1cc(CN2CCCO[C@@H](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000179401316 835667888 /nfs/dbraw/zinc/66/78/88/835667888.db2.gz DQCNGQBAWDRFAY-INIZCTEOSA-N 0 1 386.448 3.793 20 5 GHBDMN C[C@@H](N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cccc(OC(F)F)c1 ZINC000179592533 835887571 /nfs/dbraw/zinc/88/75/71/835887571.db2.gz TVTPNYOMLOGBQB-SJKOYZFVSA-N 0 1 391.374 3.652 20 5 GHBDMN CC(C)(C(=O)NOCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1 ZINC000134692562 835903186 /nfs/dbraw/zinc/90/31/86/835903186.db2.gz IRBSGNDGOFDXHR-UHFFFAOYSA-N 0 1 381.388 3.775 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](Cn2cnc3ccccc32)C1 ZINC000614236031 835908863 /nfs/dbraw/zinc/90/88/63/835908863.db2.gz XDLVCOSHQGPXKP-INIZCTEOSA-N 0 1 380.448 3.865 20 5 GHBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1ccc(SC(F)F)cc1 ZINC000728608729 835996235 /nfs/dbraw/zinc/99/62/35/835996235.db2.gz RPGVLOFXYKBYQP-UHFFFAOYSA-N 0 1 391.359 3.947 20 5 GHBDMN O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000179852700 836036471 /nfs/dbraw/zinc/03/64/71/836036471.db2.gz SCRAUSQQEYMVQW-UHFFFAOYSA-N 0 1 375.335 3.849 20 5 GHBDMN CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@]1(c2ccccc2)CCCCC1=O ZINC000411599703 836229395 /nfs/dbraw/zinc/22/93/95/836229395.db2.gz CIMDEVRKUHFLGC-QFIPXVFZSA-N 0 1 395.459 3.894 20 5 GHBDMN O=[N+]([O-])c1ccc(CN[C@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)cc1 ZINC000136679477 836313313 /nfs/dbraw/zinc/31/33/13/836313313.db2.gz JGARCEJCCVXXBH-HNNXBMFYSA-N 0 1 377.326 3.611 20 5 GHBDMN C[C@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)c1nc2ccccc2n1C(F)F ZINC000275403943 836986695 /nfs/dbraw/zinc/98/66/95/836986695.db2.gz CFMCSXKDUKDLLB-ZBEGNZNMSA-N 0 1 376.363 3.724 20 5 GHBDMN C[C@H](NCC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000180430912 837252114 /nfs/dbraw/zinc/25/21/14/837252114.db2.gz BQYSHEUXCZALHP-STQMWFEESA-N 0 1 377.391 3.743 20 5 GHBDMN COc1cc(Cl)c(C)cc1NC(=O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180447065 837266267 /nfs/dbraw/zinc/26/62/67/837266267.db2.gz HHDICWQJZGIUTH-LBPRGKRZSA-N 0 1 377.828 3.855 20 5 GHBDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)n[nH]1 ZINC000412281511 838128831 /nfs/dbraw/zinc/12/88/31/838128831.db2.gz FYOVZTNCAOZOLZ-VXGBXAGGSA-N 0 1 375.429 3.505 20 5 GHBDMN O=C(c1cn[nH]c1-c1ccc(Cl)s1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000547990854 838282730 /nfs/dbraw/zinc/28/27/30/838282730.db2.gz WGRPZCWVCYOJHP-UHFFFAOYSA-N 0 1 388.836 3.898 20 5 GHBDMN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)c1cn[nH]c1-c1ccccc1 ZINC000560794989 838788981 /nfs/dbraw/zinc/78/89/81/838788981.db2.gz BGDDSBJMWOOZGG-UHFFFAOYSA-N 0 1 387.193 4.000 20 5 GHBDMN CCO[C@H]1C[C@@](N)(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C1(C)C ZINC000275768515 838791224 /nfs/dbraw/zinc/79/12/24/838791224.db2.gz LNEVXYYTYATQEK-GHTZIAJQSA-N 0 1 399.447 3.858 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000120220967 838805049 /nfs/dbraw/zinc/80/50/49/838805049.db2.gz HHBQXAJGDBYKCQ-CQSZACIVSA-N 0 1 394.431 3.808 20 5 GHBDMN CC(C)(C)OC(=O)CCc1cccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1 ZINC000473423384 844393449 /nfs/dbraw/zinc/39/34/49/844393449.db2.gz XPARXNBIHNNROY-UHFFFAOYSA-N 0 1 386.404 3.827 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N2CC(c3cccc(C(F)(F)F)c3)C2)c1[N+](=O)[O-] ZINC000412395380 839561228 /nfs/dbraw/zinc/56/12/28/839561228.db2.gz LYWUHTJKOGDULU-UHFFFAOYSA-N 0 1 382.342 3.700 20 5 GHBDMN Cc1ccc(C)c(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1 ZINC000517485768 839912653 /nfs/dbraw/zinc/91/26/53/839912653.db2.gz WJNKIIHDJBPGSA-UHFFFAOYSA-N 0 1 385.239 3.775 20 5 GHBDMN O=C(NCCc1nc2ccc(F)cc2[nH]1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000176143395 844536749 /nfs/dbraw/zinc/53/67/49/844536749.db2.gz OELGVMCWIJJVTL-UHFFFAOYSA-N 0 1 384.392 3.797 20 5 GHBDMN Cc1ccc([C@H](CN2CCOCC2)N[C@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000566475272 840811470 /nfs/dbraw/zinc/81/14/70/840811470.db2.gz LRHDEBDUPQKHEP-SFTDATJTSA-N 0 1 381.476 3.554 20 5 GHBDMN CCOc1ccc([C@@H](C)NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000124823982 841018848 /nfs/dbraw/zinc/01/88/48/841018848.db2.gz VGWOTIYMRZTPNH-GFCCVEGCSA-N 0 1 377.828 3.936 20 5 GHBDMN CCN(CC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@@H](C)Cc1ccc(OC)cc1 ZINC000066885355 841739279 /nfs/dbraw/zinc/73/92/79/841739279.db2.gz RONIKLZCGQAJEH-INIZCTEOSA-N 0 1 385.464 3.803 20 5 GHBDMN Cc1cc(N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302202113 861239322 /nfs/dbraw/zinc/23/93/22/861239322.db2.gz VQGTYYZQQCXOEL-OAHLLOKOSA-N 0 1 396.491 3.926 20 5 GHBDMN O=C(NCCc1cc(Cl)cc(Cl)c1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000109223426 841823547 /nfs/dbraw/zinc/82/35/47/841823547.db2.gz YLCRZAUGLINYSB-UHFFFAOYSA-N 0 1 379.203 3.750 20 5 GHBDMN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2N2CCCC2)ccc1Cl ZINC000120397129 842036434 /nfs/dbraw/zinc/03/64/34/842036434.db2.gz DRYYHBLXEWPXSN-UHFFFAOYSA-N 0 1 381.841 3.649 20 5 GHBDMN C[C@H](N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000279229548 842741118 /nfs/dbraw/zinc/74/11/18/842741118.db2.gz IZRDTDVRDLIGID-WBQNTZJQSA-N 0 1 384.436 3.643 20 5 GHBDMN CN(Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@@H](CC(N)=O)c1ccccc1 ZINC000549615639 843667636 /nfs/dbraw/zinc/66/76/36/843667636.db2.gz WRNPBYRCMXBDJC-INIZCTEOSA-N 0 1 381.354 3.662 20 5 GHBDMN COc1ccc([C@H]2CCN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)cc1F ZINC000599678270 861475698 /nfs/dbraw/zinc/47/56/98/861475698.db2.gz KPBDAVCBUMBDDV-AWEZNQCLSA-N 0 1 388.395 3.599 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc(C(C)C)c(OC)cc1C ZINC000432962332 844752052 /nfs/dbraw/zinc/75/20/52/844752052.db2.gz WQLMUDAYZQKEGG-UHFFFAOYSA-N 0 1 394.449 3.845 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N(C[C@H]2CCCO2)C2CCC(C)CC2)c1[N+](=O)[O-] ZINC000610923527 844858567 /nfs/dbraw/zinc/85/85/67/844858567.db2.gz ARXGBPZZNKQPDX-YMAMQOFZSA-N 0 1 378.473 3.641 20 5 GHBDMN COc1ccc(-c2cc3[nH]c(Cc4ccc([N+](=O)[O-])cn4)nc(=O)c3s2)cc1 ZINC000182338955 844898310 /nfs/dbraw/zinc/89/83/10/844898310.db2.gz QYJFCRIBFGCUGI-UHFFFAOYSA-N 0 1 394.412 3.554 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N2CCc3ccc(Cl)cc3[C@H](C)C2)c1[N+](=O)[O-] ZINC000593811931 861551683 /nfs/dbraw/zinc/55/16/83/861551683.db2.gz HSIKHQHADSSQQN-LLVKDONJSA-N 0 1 376.844 3.897 20 5 GHBDMN CNc1ccc(C(=O)Nc2ccc3nc(-c4ccccn4)[nH]c3c2)cc1[N+](=O)[O-] ZINC000538667870 845558217 /nfs/dbraw/zinc/55/82/17/845558217.db2.gz PQDZIOFQDQBXEX-UHFFFAOYSA-N 0 1 388.387 3.827 20 5 GHBDMN CCO[C@@H]1C[C@H](N(C)C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C12CCCCC2 ZINC000434246309 845677745 /nfs/dbraw/zinc/67/77/45/845677745.db2.gz RQBHHAOUKJGPNN-UONOGXRCSA-N 0 1 378.473 3.641 20 5 GHBDMN COc1cc(OC)cc(C2(F)CC[NH+](Cc3cc([O-])ccc3[N+](=O)[O-])CC2)c1 ZINC000563263569 846467340 /nfs/dbraw/zinc/46/73/40/846467340.db2.gz HLJRQJHSWZZSEM-UHFFFAOYSA-N 0 1 390.411 3.778 20 5 GHBDMN CN1CCCC(C)(C)[C@H]1CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000548732313 846921148 /nfs/dbraw/zinc/92/11/48/846921148.db2.gz VQIHWAYZTWGXTG-LJQANCHMSA-N 0 1 377.488 3.532 20 5 GHBDMN O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000023388946 846996774 /nfs/dbraw/zinc/99/67/74/846996774.db2.gz XKHSKBFMRCTJTD-QFIPXVFZSA-N 0 1 386.411 3.919 20 5 GHBDMN CC(C)(C)c1nc(CNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])n[nH]1 ZINC000413404123 847366814 /nfs/dbraw/zinc/36/68/14/847366814.db2.gz DGOJAWXLTOUBDJ-UHFFFAOYSA-N 0 1 394.304 3.672 20 5 GHBDMN C[C@@H](N[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C(=O)N1Cc2ccccc2C1 ZINC000479519463 847687367 /nfs/dbraw/zinc/68/73/67/847687367.db2.gz SZVHRYDAQMKYHC-JLTOFOAXSA-N 0 1 379.460 3.838 20 5 GHBDMN CCO[C@@H]1C[C@@H](NCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C12CCCCC2 ZINC000503426364 847699180 /nfs/dbraw/zinc/69/91/80/847699180.db2.gz NUUUZMQJVRXERE-IAGOWNOFSA-N 0 1 386.452 3.862 20 5 GHBDMN C[C@H]1C[C@H](C(=O)[O-])C[N@@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000422638847 847731003 /nfs/dbraw/zinc/73/10/03/847731003.db2.gz VHRBOJNQGRJMLG-RDJZCZTQSA-N 0 1 383.448 3.905 20 5 GHBDMN Cc1c2ccccc2oc1[C@H](C)NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000183552855 847947132 /nfs/dbraw/zinc/94/71/32/847947132.db2.gz DMAOGMMMPCJFJA-AWEZNQCLSA-N 0 1 379.416 3.889 20 5 GHBDMN COc1cc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccco2)cc([N+](=O)[O-])c1O ZINC000024102834 848056211 /nfs/dbraw/zinc/05/62/11/848056211.db2.gz PUPNODVSKPPWSL-LJQANCHMSA-N 0 1 395.371 3.669 20 5 GHBDMN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000604181540 861903150 /nfs/dbraw/zinc/90/31/50/861903150.db2.gz MYQDYKBSPAGFED-UGSOOPFHSA-N 0 1 391.468 3.634 20 5 GHBDMN Cc1ccc([C@@H](C)N[C@H](C)C(=O)NCc2ccccc2Cl)cc1[N+](=O)[O-] ZINC000178688459 848546708 /nfs/dbraw/zinc/54/67/08/848546708.db2.gz TYRHVSWDTDAMMP-ZIAGYGMSSA-N 0 1 375.856 3.912 20 5 GHBDMN CCC[C@@H](NCC(=O)N[C@H]1CCOc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000503906084 849768002 /nfs/dbraw/zinc/76/80/02/849768002.db2.gz YLFNYWXZAAEIPM-MOPGFXCFSA-N 0 1 383.448 3.666 20 5 GHBDMN COc1ccc(-c2n[nH]c(SCc3c(F)cccc3[N+](=O)[O-])n2)c(OC)c1 ZINC000504501872 850102533 /nfs/dbraw/zinc/10/25/33/850102533.db2.gz FCVMBQPHFSYHIH-UHFFFAOYSA-N 0 1 390.396 3.829 20 5 GHBDMN Cc1ccc([C@H](CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])N2CCCC2)o1 ZINC000506729434 850638538 /nfs/dbraw/zinc/63/85/38/850638538.db2.gz CWNKPCUAUFQGPQ-IBGZPJMESA-N 0 1 398.463 3.637 20 5 GHBDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000435672406 850760176 /nfs/dbraw/zinc/76/01/76/850760176.db2.gz PDNFISJXUZEUIC-UHFFFAOYSA-N 0 1 392.459 3.955 20 5 GHBDMN CC(C)(C)N1CCc2nc(NC(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)sc2C1 ZINC000425079424 851087463 /nfs/dbraw/zinc/08/74/63/851087463.db2.gz LPBJRDQMLSGFEX-UHFFFAOYSA-N 0 1 399.476 3.942 20 5 GHBDMN O=C(NC[C@H]1CCCCN1C1CC1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000434447405 851119166 /nfs/dbraw/zinc/11/91/66/851119166.db2.gz UYEGMMHHWVQOCH-OAHLLOKOSA-N 0 1 393.462 3.567 20 5 GHBDMN COc1c(F)cc(S(=O)(=O)Nc2cccc(OCC(C)C)c2)cc1[N+](=O)[O-] ZINC000488287352 851353984 /nfs/dbraw/zinc/35/39/84/851353984.db2.gz CEUVRIFWPKSOEE-UHFFFAOYSA-N 0 1 398.412 3.578 20 5 GHBDMN O=[N+]([O-])c1ccn(C2CCN(Cc3cncc(OCc4ccccc4)c3)CC2)n1 ZINC000488799445 851779210 /nfs/dbraw/zinc/77/92/10/851779210.db2.gz MPAMXWYCJQLPFE-UHFFFAOYSA-N 0 1 393.447 3.602 20 5 GHBDMN CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)N1CCc2ccccc2C1 ZINC000481798244 862289154 /nfs/dbraw/zinc/28/91/54/862289154.db2.gz FEWZENHOPRPYIY-OAHLLOKOSA-N 0 1 399.516 3.883 20 5 GHBDMN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1nc2ccc(F)cc2[nH]1 ZINC000488903230 851855882 /nfs/dbraw/zinc/85/58/82/851855882.db2.gz RGLYBYGYCOHZMS-QMMMGPOBSA-N 0 1 378.747 3.670 20 5 GHBDMN C[C@@H](N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(-n2cccn2)c(F)c1 ZINC000550229420 852062520 /nfs/dbraw/zinc/06/25/20/852062520.db2.gz ITTTVHANTFTFBJ-KGLIPLIRSA-N 0 1 397.410 3.597 20 5 GHBDMN CC[C@@H](C)c1nc([C@H](C)NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n[nH]1 ZINC000489175992 852086838 /nfs/dbraw/zinc/08/68/38/852086838.db2.gz JMPWBQBJVPEMRG-BDAKNGLRSA-N 0 1 385.346 3.736 20 5 GHBDMN CCN(CCNC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)CCC(F)(F)F ZINC000425982395 852253046 /nfs/dbraw/zinc/25/30/46/852253046.db2.gz WNEGUYRSBFXPFC-ZDUSSCGKSA-N 0 1 390.406 3.538 20 5 GHBDMN CC(C)COc1ccccc1CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000517914165 852599710 /nfs/dbraw/zinc/59/97/10/852599710.db2.gz GMYDQSZZMDESSD-UHFFFAOYSA-N 0 1 398.868 3.762 20 5 GHBDMN CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000506308990 852680663 /nfs/dbraw/zinc/68/06/63/852680663.db2.gz IRRCREQTNVCVIH-MRXNPFEDSA-N 0 1 383.448 3.844 20 5 GHBDMN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NC[C@H]1CCCCC(F)(F)C1 ZINC000489980599 852705166 /nfs/dbraw/zinc/70/51/66/852705166.db2.gz IXKUTAYIJGWNAY-JTQLQIEISA-N 0 1 382.816 3.742 20 5 GHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000507309754 852770466 /nfs/dbraw/zinc/77/04/66/852770466.db2.gz AJELTAGJWFDYQY-INIZCTEOSA-N 0 1 386.795 3.807 20 5 GHBDMN CCN(C(=O)c1cc([O-])cc([N+](=O)[O-])c1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000507302455 852779846 /nfs/dbraw/zinc/77/98/46/852779846.db2.gz MGBUSGDOIZOUPR-YJBOKZPZSA-N 0 1 383.448 3.598 20 5 GHBDMN O=[N+]([O-])c1cccc(CN(C[C@H](O)COc2ccc(Cl)cc2)C2CC2)c1 ZINC000490139588 852788027 /nfs/dbraw/zinc/78/80/27/852788027.db2.gz MGRXIMILRFJNAO-SFHVURJKSA-N 0 1 376.840 3.653 20 5 GHBDMN O=C(NCc1cc(Oc2ccc(F)cc2)ccn1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000506350961 852829264 /nfs/dbraw/zinc/82/92/64/852829264.db2.gz WRLKQEGCWQZKRO-UHFFFAOYSA-N 0 1 383.335 3.557 20 5 GHBDMN CC1(C)CN(C2(CNC(=O)Nc3ccc([N+](=O)[O-])cc3)CCCCC2)CCO1 ZINC000518211335 853076861 /nfs/dbraw/zinc/07/68/61/853076861.db2.gz DEUXWXLQDMWKKL-UHFFFAOYSA-N 0 1 390.484 3.530 20 5 GHBDMN C[C@H](OC(=O)c1cc(-c2ccco2)n[nH]1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000913299708 853211096 /nfs/dbraw/zinc/21/10/96/853211096.db2.gz QGPUKNRCFPPTQP-JTQLQIEISA-N 0 1 395.331 3.546 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(NCc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000518350221 853229890 /nfs/dbraw/zinc/22/98/90/853229890.db2.gz JCAMRJYRFWEQNU-IYBDPMFKSA-N 0 1 385.464 3.825 20 5 GHBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000439184335 853400267 /nfs/dbraw/zinc/40/02/67/853400267.db2.gz GRZVCUQXMWUKEM-UWJYYQICSA-N 0 1 389.415 3.613 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1CN1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000171584719 862492002 /nfs/dbraw/zinc/49/20/02/862492002.db2.gz CPJNTNOBTBCWNJ-CQSZACIVSA-N 0 1 393.484 3.729 20 5 GHBDMN Cc1ccc([C@H](C)N[C@H](C)c2cccc(NS(C)(=O)=O)c2)cc1[N+](=O)[O-] ZINC000164244126 853797703 /nfs/dbraw/zinc/79/77/03/853797703.db2.gz WLKUXPGATHABPD-KGLIPLIRSA-N 0 1 377.466 3.687 20 5 GHBDMN CCOc1ccc(NC(=O)CN(C)[C@@H]2CCCc3ccccc32)c([N+](=O)[O-])c1 ZINC000018935254 853983486 /nfs/dbraw/zinc/98/34/86/853983486.db2.gz BQOSTGQDHPZGGZ-LJQANCHMSA-N 0 1 383.448 3.941 20 5 GHBDMN COc1ccccc1[C@H](CNC(=O)c1cccc(C)c1[N+](=O)[O-])N1CCCCC1 ZINC000055752004 854089872 /nfs/dbraw/zinc/08/98/72/854089872.db2.gz VVRHLKSYOGFUSB-IBGZPJMESA-N 0 1 397.475 3.869 20 5 GHBDMN C[C@@H]1CN(CCCNC(=O)c2cc3ccccc3c3cccnc23)C[C@@H](C)O1 ZINC000045065043 854169221 /nfs/dbraw/zinc/16/92/21/854169221.db2.gz RZXWDSHBEMGFFN-IAGOWNOFSA-N 0 1 377.488 3.617 20 5 GHBDMN CCO[C@@H]1C[C@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)[C@@H]1n1cccn1 ZINC000550327650 854207149 /nfs/dbraw/zinc/20/71/49/854207149.db2.gz ZTNDFXMSDBKNBL-DBVUQKKJSA-N 0 1 382.420 3.560 20 5 GHBDMN CC[C@H](CNC(=O)c1c(C)c(F)ccc1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000843766083 854250784 /nfs/dbraw/zinc/25/07/84/854250784.db2.gz XRTFYFRIOMHURC-QGZVFWFLSA-N 0 1 385.439 3.609 20 5 GHBDMN O=[N+]([O-])c1ccn(CCSc2nc(-c3cc(Cl)cc(Cl)c3)n[nH]2)n1 ZINC000481984559 862579223 /nfs/dbraw/zinc/57/92/23/862579223.db2.gz VLCDNOWUOVNPLA-UHFFFAOYSA-N 0 1 385.236 3.676 20 5 GHBDMN O=C(CCC(F)(F)F)N1CCC[C@@H](NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000588927976 854597357 /nfs/dbraw/zinc/59/73/57/854597357.db2.gz JHRDKFBTHHLIOM-GFCCVEGCSA-N 0 1 393.793 3.671 20 5 GHBDMN Cc1ccc(N2CCC(C(=O)Nc3cc(Cl)cc([N+](=O)[O-])c3[O-])CC2)[nH+]c1 ZINC000186027200 862587590 /nfs/dbraw/zinc/58/75/90/862587590.db2.gz RTPZEIBNOXFQDH-UHFFFAOYSA-N 0 1 390.827 3.512 20 5 GHBDMN COc1cccc([C@H]2[C@H](NC(=O)c3ccc([N+](=O)[O-])c(C)c3)CCN2C2CC2)c1 ZINC000482048387 862639826 /nfs/dbraw/zinc/63/98/26/862639826.db2.gz YJYZRRSLBFFCQE-CTNGQTDRSA-N 0 1 395.459 3.620 20 5 GHBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@H](c2ccccn2)C1 ZINC000590600772 855505390 /nfs/dbraw/zinc/50/53/90/855505390.db2.gz MNLWRRUDJPLVRR-ZBFHGGJFSA-N 0 1 379.420 3.980 20 5 GHBDMN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc(-c2ccccc2OC)n[nH]1 ZINC000184704677 855618847 /nfs/dbraw/zinc/61/88/47/855618847.db2.gz PATHICPHWSONBU-CQSZACIVSA-N 0 1 395.419 3.596 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCc2c(Cl)cccc2C1 ZINC000133795296 862704571 /nfs/dbraw/zinc/70/45/71/862704571.db2.gz DCDNOUHMJSKZRY-UHFFFAOYSA-N 0 1 389.839 3.644 20 5 GHBDMN Cc1ccc(C=Cc2n[nH]c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)n2)o1 ZINC000591374724 855956134 /nfs/dbraw/zinc/95/61/34/855956134.db2.gz YFTLHRJZENHWTH-VURMDHGXSA-N 0 1 399.432 3.824 20 5 GHBDMN C[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000499439650 856331223 /nfs/dbraw/zinc/33/12/23/856331223.db2.gz XFBVQKPNXWZLID-ZWKOTPCHSA-N 0 1 381.476 3.649 20 5 GHBDMN CC(C)c1ccc(C[N@H+]2CC[C@@H](c3ncc(C(=O)[O-])s3)C2)cc1[N+](=O)[O-] ZINC000905751062 856508213 /nfs/dbraw/zinc/50/82/13/856508213.db2.gz VDEADGCBDMNPBO-CYBMUJFWSA-N 0 1 375.450 3.862 20 5 GHBDMN C[C@@H]1COC[C@@H]1N[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000905866573 856647287 /nfs/dbraw/zinc/64/72/87/856647287.db2.gz JXUOTNOMUOGBHA-OCBCSQNSSA-N 0 1 389.839 3.553 20 5 GHBDMN C[C@@H]1COC[C@@H]1N[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000905866575 856647462 /nfs/dbraw/zinc/64/74/62/856647462.db2.gz JXUOTNOMUOGBHA-UUWFMWQGSA-N 0 1 389.839 3.553 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(Cc1ccccc1)[C@@H](CO)C1CCC1 ZINC000592139490 856688767 /nfs/dbraw/zinc/68/87/67/856688767.db2.gz GSGBWZHRKUYLMC-NRFANRHFSA-N 0 1 397.475 3.505 20 5 GHBDMN C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNc3nc(C(=O)[O-])ccc3[N+](=O)[O-])cc2)C1 ZINC000573970896 856834583 /nfs/dbraw/zinc/83/45/83/856834583.db2.gz NNNCHTDKYPOJRN-GASCZTMLSA-N 0 1 398.463 3.778 20 5 GHBDMN Cn1ccnc1[C@H](NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1cccc(F)c1 ZINC000573955440 856860983 /nfs/dbraw/zinc/86/09/83/856860983.db2.gz CDDDKAMCDDVFIC-HXUWFJFHSA-N 0 1 393.422 3.870 20 5 GHBDMN O=C(NCc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000428018598 857001719 /nfs/dbraw/zinc/00/17/19/857001719.db2.gz WFBFBALKKMUUKI-UHFFFAOYSA-N 0 1 388.383 3.774 20 5 GHBDMN Cc1cc(C)n(-c2ccc([C@H](C)NC(=O)c3cc(O)cc([N+](=O)[O-])c3)cc2)n1 ZINC000428018587 857002848 /nfs/dbraw/zinc/00/28/48/857002848.db2.gz WBCHZBBGGAOVEI-AWEZNQCLSA-N 0 1 380.404 3.594 20 5 GHBDMN O=C(c1cc(-c2ccccc2)[nH]n1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000173636337 857046792 /nfs/dbraw/zinc/04/67/92/857046792.db2.gz VQFCRCLRHAQDAB-UHFFFAOYSA-N 0 1 392.415 3.669 20 5 GHBDMN Cc1ccc([C@H](C)Nc2cccc(CN3CCC[C@H]3C(N)=O)c2)cc1[N+](=O)[O-] ZINC000245658412 857057503 /nfs/dbraw/zinc/05/75/03/857057503.db2.gz GDXFCUXSXOIZEE-KXBFYZLASA-N 0 1 382.464 3.526 20 5 GHBDMN COc1cc([C@H](C)NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)ccc1OC(C)C ZINC000026949127 857083227 /nfs/dbraw/zinc/08/32/27/857083227.db2.gz DYRUKNHOTRTVGX-LBPRGKRZSA-N 0 1 398.419 3.758 20 5 GHBDMN O=[N+]([O-])c1cc(Br)cnc1NC[C@H](c1ccco1)N1CCCC1 ZINC000301681137 857135133 /nfs/dbraw/zinc/13/51/33/857135133.db2.gz JQSSRGUDKHSVJM-CYBMUJFWSA-N 0 1 381.230 3.594 20 5 GHBDMN CC[C@@](C)(NCCC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1nc(C)cs1 ZINC000173942657 857185666 /nfs/dbraw/zinc/18/56/66/857185666.db2.gz PXFVVNGDNPRSPB-GOSISDBHSA-N 0 1 376.482 3.912 20 5 GHBDMN Cc1ccc(NC(=O)c2ccc(N3C[C@@H](C)N(C)C[C@@H]3C)c([N+](=O)[O-])c2)cc1 ZINC000508371984 857224526 /nfs/dbraw/zinc/22/45/26/857224526.db2.gz QMDVIQAGTSBVQU-CVEARBPZSA-N 0 1 382.464 3.684 20 5 GHBDMN Cc1ccc(NC(=O)c2ccc(N3C[C@H](C)N(C)C[C@@H]3C)c([N+](=O)[O-])c2)cc1 ZINC000508371988 857224758 /nfs/dbraw/zinc/22/47/58/857224758.db2.gz QMDVIQAGTSBVQU-HOTGVXAUSA-N 0 1 382.464 3.684 20 5 GHBDMN O=C(Cc1ccccc1[N+](=O)[O-])Nc1cc(Cl)cc(Br)c1O ZINC000174916217 857406825 /nfs/dbraw/zinc/40/68/25/857406825.db2.gz RICCEMGCFANLOF-UHFFFAOYSA-N 0 1 385.601 3.898 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)Nc1ccc(N2CCN(C)CC2)cc1C ZINC000113520551 857542712 /nfs/dbraw/zinc/54/27/12/857542712.db2.gz KDXZXTHSJBJXJW-UHFFFAOYSA-N 0 1 383.452 3.607 20 5 GHBDMN COC(=O)[C@@H]1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H]2CCCC[C@H]12 ZINC000595733516 858669424 /nfs/dbraw/zinc/66/94/24/858669424.db2.gz RFJKCKWTPIOFBN-GUDVDZBRSA-N 0 1 399.447 3.804 20 5 GHBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC([C@H]2CCCCO2)CC1 ZINC000595788933 858688789 /nfs/dbraw/zinc/68/87/89/858688789.db2.gz OJLPMULHYYCPKE-RDTXWAMCSA-N 0 1 386.452 3.987 20 5 GHBDMN C[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(F)c1 ZINC000543597750 858920058 /nfs/dbraw/zinc/92/00/58/858920058.db2.gz SSJWOUISHYBUNI-NSHDSACASA-N 0 1 386.832 3.512 20 5 GHBDMN COc1ccc(C[C@H](C)N[C@H](c2ccccc2)c2cccnn2)c([N+](=O)[O-])c1 ZINC001170326302 881363515 /nfs/dbraw/zinc/36/35/15/881363515.db2.gz GQXVOEUXSQXPSS-YCRPNKLZSA-N 0 1 378.432 3.704 20 5 GHBDMN CCOc1cc(N2CCN(CCCCOC(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000482891364 858946707 /nfs/dbraw/zinc/94/67/07/858946707.db2.gz SSGUFRSQOHDNSP-UHFFFAOYSA-N 0 1 379.501 3.711 20 5 GHBDMN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1cnccc1-n1ccnc1 ZINC000543289166 859154690 /nfs/dbraw/zinc/15/46/90/859154690.db2.gz FFHZWQABCOILQJ-UHFFFAOYSA-N 0 1 389.824 3.560 20 5 GHBDMN O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000248557595 859181696 /nfs/dbraw/zinc/18/16/96/859181696.db2.gz LYAULXUTPQPDOF-XYPHTWIQSA-N 0 1 385.420 3.510 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(Oc2ccncc2)c1 ZINC000483192427 859216749 /nfs/dbraw/zinc/21/67/49/859216749.db2.gz NOBAQZIINOUGBE-UHFFFAOYSA-N 0 1 385.401 3.891 20 5 GHBDMN CCCOc1ccc(C(C)(C)NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cc1 ZINC000483264791 859257754 /nfs/dbraw/zinc/25/77/54/859257754.db2.gz RODKNJBVBSCILI-UHFFFAOYSA-N 0 1 397.475 3.798 20 5 GHBDMN O=C1C[C@@H](NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)[C@H]2CCCCN12 ZINC000509409688 859356937 /nfs/dbraw/zinc/35/69/37/859356937.db2.gz HCLHJWVMGLCLTN-QZTJIDSGSA-N 0 1 399.422 3.769 20 5 GHBDMN COC(=O)c1cnc([C@H]2CCCN(Cc3ccc([N+](=O)[O-])cc3C)C2)s1 ZINC000597253135 859399116 /nfs/dbraw/zinc/39/91/16/859399116.db2.gz KGOVNURPWNXRQX-AWEZNQCLSA-N 0 1 375.450 3.526 20 5 GHBDMN O=C(Nc1nc(-c2ccc(Cl)cc2)n[nH]1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000543374745 859478652 /nfs/dbraw/zinc/47/86/52/859478652.db2.gz QDKPPXXCZDKBEC-UHFFFAOYSA-N 0 1 394.778 3.834 20 5 GHBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC(c2cccnc2)CC1 ZINC000611259002 859669379 /nfs/dbraw/zinc/66/93/79/859669379.db2.gz SBOKPPQHPQYEFN-CQSZACIVSA-N 0 1 379.420 3.980 20 5 GHBDMN COc1ccc(CN2CCC(C)(O)CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000611272038 859675688 /nfs/dbraw/zinc/67/56/88/859675688.db2.gz LBGBORAXDAXOQI-UHFFFAOYSA-N 0 1 386.448 3.529 20 5 GHBDMN O=C1C[C@@H](NCc2ccc([N+](=O)[O-])cc2)CN1Cc1ccccc1C(F)(F)F ZINC000466476247 859676781 /nfs/dbraw/zinc/67/67/81/859676781.db2.gz YBGPNLPGZBHMSO-OAHLLOKOSA-N 0 1 393.365 3.504 20 5 GHBDMN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1cnn(-c2ccncc2)c1 ZINC000611398972 859737461 /nfs/dbraw/zinc/73/74/61/859737461.db2.gz SHIJEVDUALQIBR-UHFFFAOYSA-N 0 1 383.433 3.928 20 5 GHBDMN CC(C)(C)N(CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)Cc1ccccc1 ZINC000474285215 859774574 /nfs/dbraw/zinc/77/45/74/859774574.db2.gz QWJYOZVYJAXJFF-UHFFFAOYSA-N 0 1 385.420 3.563 20 5 GHBDMN COc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cc(OC)c1C(C)C ZINC000484214733 859883345 /nfs/dbraw/zinc/88/33/45/859883345.db2.gz ABGQFUDXPCDDOE-UHFFFAOYSA-N 0 1 394.449 3.845 20 5 GHBDMN CC(C)n1c2ccccc2nc1[C@@H](C)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000118706839 859904332 /nfs/dbraw/zinc/90/43/32/859904332.db2.gz STELMGJAZSUKGA-GFCCVEGCSA-N 0 1 392.419 3.893 20 5 GHBDMN O=C(N[C@@H](c1cccs1)c1ccc2c(c1)CCCC2)c1n[nH]cc1[N+](=O)[O-] ZINC000123549577 859996681 /nfs/dbraw/zinc/99/66/81/859996681.db2.gz WKLVLSRXIQRORM-QGZVFWFLSA-N 0 1 382.445 3.778 20 5 GHBDMN O=C(C1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1)N1CCc2ccccc21 ZINC000092533573 860072000 /nfs/dbraw/zinc/07/20/00/860072000.db2.gz KGOMFAPGELWPDD-VMPITWQZSA-N 0 1 391.471 3.909 20 5 GHBDMN Cc1ccc(CN2CCC(C(=O)N3CCc4ccccc43)CC2)cc1[N+](=O)[O-] ZINC000092533639 860072395 /nfs/dbraw/zinc/07/23/95/860072395.db2.gz PBPVOKWGMUOGJC-UHFFFAOYSA-N 0 1 379.460 3.705 20 5 GHBDMN C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1cn(C)c2ccccc12 ZINC000185413022 860110771 /nfs/dbraw/zinc/11/07/71/860110771.db2.gz LCWMGCOGCSKRHX-GFCCVEGCSA-N 0 1 390.403 3.614 20 5 GHBDMN O=[N+]([O-])c1cnn(CCN2CCC(F)(c3ccccc3C(F)(F)F)CC2)c1 ZINC000499954649 860279727 /nfs/dbraw/zinc/27/97/27/860279727.db2.gz NGYJMDFZLAIIQH-UHFFFAOYSA-N 0 1 386.349 3.771 20 5 GHBDMN COc1cccc([C@@H](CNc2ncc([N+](=O)[O-])cc2Cl)N2CCCC2)c1 ZINC000301297931 860444065 /nfs/dbraw/zinc/44/40/65/860444065.db2.gz YXJVLWGBLBLMMP-QGZVFWFLSA-N 0 1 376.844 3.901 20 5 GHBDMN COc1cc(S(=O)(=O)Nc2ccccc2CC(F)(F)F)ccc1[N+](=O)[O-] ZINC000125063624 860571890 /nfs/dbraw/zinc/57/18/90/860571890.db2.gz OOELXKRUYGZBMF-UHFFFAOYSA-N 0 1 390.339 3.509 20 5 GHBDMN C[C@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1cccc(C(F)(F)F)c1 ZINC000126294576 861014331 /nfs/dbraw/zinc/01/43/31/861014331.db2.gz JINSJKODYPVYAA-LBPRGKRZSA-N 0 1 393.365 3.854 20 5 GHBDMN COc1ccc(C[N@H+](C)Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])cc1OC(F)F ZINC000593732206 861075955 /nfs/dbraw/zinc/07/59/55/861075955.db2.gz KRSGUCHMFGPBIN-UHFFFAOYSA-N 0 1 396.346 3.535 20 5 GHBDMN COc1ccc(C[N@@H+](C)Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])cc1OC(F)F ZINC000593732206 861075969 /nfs/dbraw/zinc/07/59/69/861075969.db2.gz KRSGUCHMFGPBIN-UHFFFAOYSA-N 0 1 396.346 3.535 20 5 GHBDMN CC(C)N1CCC[C@H](NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000444324425 864313294 /nfs/dbraw/zinc/31/32/94/864313294.db2.gz XHHQEZRZYIMYGN-AWEZNQCLSA-N 0 1 399.441 3.562 20 5 GHBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000494477247 881775622 /nfs/dbraw/zinc/77/56/22/881775622.db2.gz QLMUOZYYXBQUFP-HNAYVOBHSA-N 0 1 389.839 3.615 20 5 GHBDMN CC(C)[C@@H](CNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)[N@H+]1CCc2ccccc2C1 ZINC000554593209 864590412 /nfs/dbraw/zinc/59/04/12/864590412.db2.gz SIZLHZVUNLCUED-HXUWFJFHSA-N 0 1 383.448 3.788 20 5 GHBDMN CCc1cc(CNC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)n[nH]1 ZINC000735368886 864754749 /nfs/dbraw/zinc/75/47/49/864754749.db2.gz UOYZUJUQISIYCL-UHFFFAOYSA-N 0 1 381.392 3.994 20 5 GHBDMN COc1cc(CNC[C@@H](O)c2ccco2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000747098933 881871646 /nfs/dbraw/zinc/87/16/46/881871646.db2.gz JFTDFVRWZMGRKU-GOSISDBHSA-N 0 1 398.415 3.599 20 5 GHBDMN COC[C@H](CO)NCc1ccc(Oc2cc(C)ccc2C(C)C)c([N+](=O)[O-])c1 ZINC000475505756 866104892 /nfs/dbraw/zinc/10/48/92/866104892.db2.gz AYBGXQBTAYUPJE-KRWDZBQOSA-N 0 1 388.464 3.916 20 5 GHBDMN CCN(CC)C(=O)[C@H](Cc1ccccc1)NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783593011 866153923 /nfs/dbraw/zinc/15/39/23/866153923.db2.gz RGCBGRGPEKAOPJ-SFHVURJKSA-N 0 1 389.883 3.818 20 5 GHBDMN Cc1c(NC(=O)CCNC(C)(C)c2nc3ccccc3n2C)cccc1[N+](=O)[O-] ZINC000186561540 866156376 /nfs/dbraw/zinc/15/63/76/866156376.db2.gz IIDYVKGUVSUNTN-UHFFFAOYSA-N 0 1 395.463 3.643 20 5 GHBDMN COC(=O)COc1ccc(CN2CCC[C@@H]2c2cccs2)cc1[N+](=O)[O-] ZINC000475545714 866254950 /nfs/dbraw/zinc/25/49/50/866254950.db2.gz BSBSONZQIQOYQM-CQSZACIVSA-N 0 1 376.434 3.545 20 5 GHBDMN O=C(Nc1cc(Cl)ccc1OC[C@H]1CCCO1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000475597990 866579763 /nfs/dbraw/zinc/57/97/63/866579763.db2.gz BDWNFQQYBUBXMM-OAHLLOKOSA-N 0 1 392.795 3.764 20 5 GHBDMN C[C@H]1CN(Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)CC[C@H]1c1ccccc1 ZINC000742166437 867090869 /nfs/dbraw/zinc/09/08/69/867090869.db2.gz PSWPILHHKBSGKV-QFBILLFUSA-N 0 1 377.448 3.936 20 5 GHBDMN CC(C)(C(=O)N1CCCN(Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000523528867 867463731 /nfs/dbraw/zinc/46/37/31/867463731.db2.gz UIEZLFVPGJDSQA-UHFFFAOYSA-N 0 1 381.476 3.607 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1CN1CCC(CN2CCc3ccccc32)CC1 ZINC000523634569 867696322 /nfs/dbraw/zinc/69/63/22/867696322.db2.gz DCIMDAZNBHZWJC-UHFFFAOYSA-N 0 1 381.476 3.878 20 5 GHBDMN C[C@@H](CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)N(C)Cc1ccccc1 ZINC000445188772 867912828 /nfs/dbraw/zinc/91/28/28/867912828.db2.gz OSKWBTIEIWGIAM-KRWDZBQOSA-N 0 1 399.494 3.932 20 5 GHBDMN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H](C)c1nccn1-c1ccccc1 ZINC000554092173 868703145 /nfs/dbraw/zinc/70/31/45/868703145.db2.gz MWRNKOCJROVPHJ-HZPDHXFCSA-N 0 1 393.447 3.848 20 5 GHBDMN CCC[C@@H]1CN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000539427819 869113999 /nfs/dbraw/zinc/11/39/99/869113999.db2.gz DORQVPMJSGYOHB-QGZVFWFLSA-N 0 1 399.495 3.568 20 5 GHBDMN O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccc3c(c2)CCCC3)c2cccnc21 ZINC000462360474 869290849 /nfs/dbraw/zinc/29/08/49/869290849.db2.gz PNTBKIWQEGDVBI-UHFFFAOYSA-N 0 1 383.429 3.823 20 5 GHBDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)Oc2cccc([N+](=O)[O-])c2)C1 ZINC000766324372 869326646 /nfs/dbraw/zinc/32/66/46/869326646.db2.gz NVRZOXYJBUTPII-UHFFFAOYSA-N 0 1 393.443 3.922 20 5 GHBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(Cl)ccc1N(C)C ZINC000524630170 869371033 /nfs/dbraw/zinc/37/10/33/869371033.db2.gz CYKWYGVKNKSYGD-UHFFFAOYSA-N 0 1 383.857 3.677 20 5 GHBDMN Cc1ccc2nc([C@H]3CCCN3C(=O)COc3cccc([N+](=O)[O-])c3)[nH]c2c1 ZINC000519937031 869373887 /nfs/dbraw/zinc/37/38/87/869373887.db2.gz PNOBMGQOXVAMTK-GOSISDBHSA-N 0 1 380.404 3.522 20 5 GHBDMN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C)N1CCc2ccccc2C1 ZINC000462416594 869399331 /nfs/dbraw/zinc/39/93/31/869399331.db2.gz KGTZLQLNAPIBIC-HKUYNNGSSA-N 0 1 395.503 3.727 20 5 GHBDMN CCc1nn(C)c(NC[C@@H](c2ccccc2OC)N2CCCCC2)c1[N+](=O)[O-] ZINC000539844277 869889377 /nfs/dbraw/zinc/88/93/77/869889377.db2.gz OEJFSWPKMAGLNM-KRWDZBQOSA-N 0 1 387.484 3.538 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C)c1cc2cccc(F)c2o1 ZINC000475707674 882422786 /nfs/dbraw/zinc/42/27/86/882422786.db2.gz ZPAKRRSZUKEKSJ-NSHDSACASA-N 0 1 387.367 3.778 20 5 GHBDMN C[C@@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(-c2cccnc2)cc1 ZINC000181284344 870679031 /nfs/dbraw/zinc/67/90/31/870679031.db2.gz DVXVJIRBDQOSIC-OAHLLOKOSA-N 0 1 376.416 3.946 20 5 GHBDMN C[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000766439350 870768700 /nfs/dbraw/zinc/76/87/00/870768700.db2.gz BOVYMMPMCFYIAA-JKSUJKDBSA-N 0 1 394.475 3.579 20 5 GHBDMN CCOc1ccc([C@H](NCc2c([N+](=O)[O-])ncn2C)C(C)C)cc1OCC ZINC000540340920 871063887 /nfs/dbraw/zinc/06/38/87/871063887.db2.gz BTDZCTOHBPNZNW-GOSISDBHSA-N 0 1 376.457 3.613 20 5 GHBDMN O=c1ccc([N+](=O)[O-])cn1CCN1CCC(c2cccc(Cl)c2Cl)CC1 ZINC000463363689 871536419 /nfs/dbraw/zinc/53/64/19/871536419.db2.gz BSRNIVNPAACBLC-UHFFFAOYSA-N 0 1 396.274 3.943 20 5 GHBDMN Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000475709363 882536455 /nfs/dbraw/zinc/53/64/55/882536455.db2.gz KLPTVKYPGYXXDV-ZDUSSCGKSA-N 0 1 397.431 3.733 20 5 GHBDMN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000462167781 871729223 /nfs/dbraw/zinc/72/92/23/871729223.db2.gz CFFNKIPIRITNMJ-QFBILLFUSA-N 0 1 381.476 3.770 20 5 GHBDMN CCC[C@@H](NCc1ccc(C)c(S(C)(=O)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000447573428 871840148 /nfs/dbraw/zinc/84/01/48/871840148.db2.gz RRGRXRYPSUUVHO-GOSISDBHSA-N 0 1 376.478 3.938 20 5 GHBDMN O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2NCc2nccn2CCc2ccccc2)n1 ZINC000447582051 871881868 /nfs/dbraw/zinc/88/18/68/871881868.db2.gz XMUQFBXSZKBDSV-MOPGFXCFSA-N 0 1 394.479 3.504 20 5 GHBDMN CN(C)[C@H]1CCOc2c(NC(=O)CSc3ccc([N+](=O)[O-])cc3)cccc21 ZINC000447721814 872209069 /nfs/dbraw/zinc/20/90/69/872209069.db2.gz HFZORGQZJLBYDN-KRWDZBQOSA-N 0 1 387.461 3.711 20 5 GHBDMN C[C@@H](CN1CCC(C)CC1)NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000618986181 872216357 /nfs/dbraw/zinc/21/63/57/872216357.db2.gz VLSNOYBFTOPANQ-INIZCTEOSA-N 0 1 377.488 3.532 20 5 GHBDMN COc1ccc(C[C@@H](C)CN[C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000552275312 872372738 /nfs/dbraw/zinc/37/27/38/872372738.db2.gz RLXDTAFEDJUXQD-IERDGZPVSA-N 0 1 394.475 3.895 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N[C@@H]2CCCc3ccccc3C2)c1 ZINC001195585167 872487414 /nfs/dbraw/zinc/48/74/14/872487414.db2.gz RQXATLAYTFBNPF-CYBMUJFWSA-N 0 1 398.843 3.613 20 5 GHBDMN O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccc3ncccc3c2)cc1C(F)(F)F ZINC000541072712 872851715 /nfs/dbraw/zinc/85/17/15/872851715.db2.gz FYPDPEOZZPJCDG-UHFFFAOYSA-N 0 1 397.334 3.963 20 5 GHBDMN Cc1c(CNC(=O)NC[C@H](c2ccco2)N2CCCCC2)cccc1[N+](=O)[O-] ZINC000478452292 873046072 /nfs/dbraw/zinc/04/60/72/873046072.db2.gz UCDPDAOLVQJZOS-GOSISDBHSA-N 0 1 386.452 3.523 20 5 GHBDMN CC(C)(C)[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 ZINC000541326726 873375742 /nfs/dbraw/zinc/37/57/42/873375742.db2.gz RIYFQRNMJGLUOG-SFHVURJKSA-N 0 1 394.468 3.885 20 5 GHBDMN O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1F ZINC000102748273 873527670 /nfs/dbraw/zinc/52/76/70/873527670.db2.gz MDKJWWBIGDFHII-UHFFFAOYSA-N 0 1 382.266 3.693 20 5 GHBDMN O=C(N[C@H]1COc2c1ccc(Cl)c2Cl)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000464304175 873590584 /nfs/dbraw/zinc/59/05/84/873590584.db2.gz BHXIDIHSUDYKAJ-LBPRGKRZSA-N 0 1 393.186 3.641 20 5 GHBDMN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(Br)c(Cl)c2)cs1 ZINC000768886352 873647375 /nfs/dbraw/zinc/64/73/75/873647375.db2.gz BXJADZXIGCGZFZ-UHFFFAOYSA-N 0 1 397.659 3.873 20 5 GHBDMN Cc1cc(Cl)c([N+](=O)[O-])cc1NS(=O)(=O)CCOc1ccc(F)cc1 ZINC000769630840 874176859 /nfs/dbraw/zinc/17/68/59/874176859.db2.gz LUDGYXQDPPYBLK-UHFFFAOYSA-N 0 1 388.804 3.516 20 5 GHBDMN C[C@H]1C[C@@H]1c1ccc(CCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)o1 ZINC000609135937 874239136 /nfs/dbraw/zinc/23/91/36/874239136.db2.gz GZBMORBULQIKLD-NHYWBVRUSA-N 0 1 381.392 3.668 20 5 GHBDMN CN(C)[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1)c1cccc(F)c1 ZINC000770021218 874410271 /nfs/dbraw/zinc/41/02/71/874410271.db2.gz UZRWEAPPGVRSOI-MRXNPFEDSA-N 0 1 380.807 3.812 20 5 GHBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCCC[C@@H]2CCO)cc1OC ZINC000541985233 874673110 /nfs/dbraw/zinc/67/31/10/874673110.db2.gz XSZICPJCHWRCRP-DOTOQJQBSA-N 0 1 380.485 3.765 20 5 GHBDMN COc1cc(CN2CCC[C@@]3(CCSC3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000449731395 875298609 /nfs/dbraw/zinc/29/86/09/875298609.db2.gz IOFRAAIXEISEND-QGZVFWFLSA-N 0 1 388.436 3.924 20 5 GHBDMN O=[N+]([O-])c1ccc([O-])cc1CN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000549865629 875725900 /nfs/dbraw/zinc/72/59/00/875725900.db2.gz PCOYYOANAOUYBT-QFIPXVFZSA-N 0 1 381.476 3.789 20 5 GHBDMN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1CCOC2(C1)CCCCCC2 ZINC000450184666 876049119 /nfs/dbraw/zinc/04/91/19/876049119.db2.gz GSLLCEOGFZUDNH-UHFFFAOYSA-N 0 1 384.436 3.550 20 5 GHBDMN O=C(Nc1nnc(Cc2ccccc2F)s1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000108208656 876443757 /nfs/dbraw/zinc/44/37/57/876443757.db2.gz UIQRHKDNFSDYRU-UHFFFAOYSA-N 0 1 394.334 3.707 20 5 GHBDMN CCCN(C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000786136511 876502033 /nfs/dbraw/zinc/50/20/33/876502033.db2.gz SHTZTIJOZLDWOP-OXJNMPFZSA-N 0 1 385.464 3.676 20 5 GHBDMN Cc1ccc(CNCCS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-] ZINC000609354010 883044272 /nfs/dbraw/zinc/04/42/72/883044272.db2.gz JDQJRYFGGKGTAV-UHFFFAOYSA-N 0 1 390.505 3.764 20 5 GHBDMN CCOc1cc(CN2CCC(C(=O)Nc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000492416089 876770698 /nfs/dbraw/zinc/77/06/98/876770698.db2.gz ISWKUSJKUCTRHH-UHFFFAOYSA-N 0 1 383.448 3.844 20 5 GHBDMN CC(C)NC(=O)c1ccc(NC[C@H](c2ccco2)N2CCCC2)c([N+](=O)[O-])c1 ZINC000054359277 877059710 /nfs/dbraw/zinc/05/97/10/877059710.db2.gz IWIOSJAFKRDYIY-GOSISDBHSA-N 0 1 386.452 3.575 20 5 GHBDMN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC(c3nnc(-c4ccccc4)[nH]3)CC2)c1 ZINC000460883554 877112700 /nfs/dbraw/zinc/11/27/00/877112700.db2.gz NWRCGWMPSQCKFX-UHFFFAOYSA-N 0 1 391.431 3.708 20 5 GHBDMN COc1ccc(CNCc2cc(C)n[nH]2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000610010062 877293421 /nfs/dbraw/zinc/29/34/21/877293421.db2.gz SAHUYVQEDUVPGX-UHFFFAOYSA-N 0 1 382.420 3.504 20 5 GHBDMN COc1ccc(CNCc2cc(C)[nH]n2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000610010062 877293433 /nfs/dbraw/zinc/29/34/33/877293433.db2.gz SAHUYVQEDUVPGX-UHFFFAOYSA-N 0 1 382.420 3.504 20 5 GHBDMN Cc1ccccc1[C@@H]([C@@H](C)NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)N(C)C ZINC000451267101 877680903 /nfs/dbraw/zinc/68/09/03/877680903.db2.gz NNSONUZJRONSMJ-OPAMFIHVSA-N 0 1 397.475 3.674 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2nnc(CNC3(Cc4ccccc4)CCOCC3)o2)cc1 ZINC000451936431 878705521 /nfs/dbraw/zinc/70/55/21/878705521.db2.gz GERWQDSBRSJUSZ-UHFFFAOYSA-N 0 1 394.431 3.526 20 5 GHBDMN O=[N+]([O-])c1cn(CN(CCc2ccc(F)cc2)C2CC2)nc1-c1ccccn1 ZINC000853497290 879064133 /nfs/dbraw/zinc/06/41/33/879064133.db2.gz VSHLUKKTWYYEBI-UHFFFAOYSA-N 0 1 381.411 3.657 20 5 GHBDMN COc1cccc([C@H]2C[C@H](N(C)Cn3cc([N+](=O)[O-])c(-c4ccccn4)n3)C2)c1 ZINC000853515962 879076462 /nfs/dbraw/zinc/07/64/62/879076462.db2.gz GRLOLVHNDYPSJX-QAQDUYKDSA-N 0 1 393.447 3.697 20 5 GHBDMN CCOc1cccc([C@H](C)N[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)c1 ZINC000068839693 879089488 /nfs/dbraw/zinc/08/94/88/879089488.db2.gz MUZMOUQSSWZMPR-UONOGXRCSA-N 0 1 387.436 3.680 20 5 GHBDMN CC1(C)CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)[C@@H]1c1ccncc1 ZINC000452398491 879388447 /nfs/dbraw/zinc/38/84/47/879388447.db2.gz ANLMJSYPXUUKAT-GOSISDBHSA-N 0 1 377.404 3.603 20 5 GHBDMN Cc1c(C(=O)N2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)cccc1[N+](=O)[O-] ZINC000152683557 879575146 /nfs/dbraw/zinc/57/51/46/879575146.db2.gz RFNUZPQYRCPXGB-KRWDZBQOSA-N 0 1 377.404 3.666 20 5 GHBDMN Cc1c(C(=O)N2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)cccc1[N+](=O)[O-] ZINC000152683557 879575150 /nfs/dbraw/zinc/57/51/50/879575150.db2.gz RFNUZPQYRCPXGB-KRWDZBQOSA-N 0 1 377.404 3.666 20 5 GHBDMN Cc1c([N+](=O)[O-])cc(C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)cc1[N+](=O)[O-] ZINC000152781640 879691442 /nfs/dbraw/zinc/69/14/42/879691442.db2.gz NDMFCYDEZVXSRS-UHFFFAOYSA-N 0 1 391.290 3.878 20 5 GHBDMN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc3c2CN(C(C)C)C3)c1C ZINC000461424932 879785604 /nfs/dbraw/zinc/78/56/04/879785604.db2.gz TYXXSERWYRYAGR-UHFFFAOYSA-N 0 1 389.477 3.736 20 5 GHBDMN Cc1c(CN[C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)cccc1[N+](=O)[O-] ZINC000790541083 879793705 /nfs/dbraw/zinc/79/37/05/879793705.db2.gz CKSCBSUVDPZMJQ-INIZCTEOSA-N 0 1 393.365 3.817 20 5 GHBDMN C[C@@H]1[C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CCN1Cc1ccccc1 ZINC000494028017 879837340 /nfs/dbraw/zinc/83/73/40/879837340.db2.gz OUEZBVSIJHPZFF-KDOFPFPSSA-N 0 1 379.416 3.734 20 5 GHBDMN CCN(C(=O)c1cc([N+](=O)[O-])cc(C)c1F)[C@H]1CCN(Cc2ccccc2)C1 ZINC000790953263 880098285 /nfs/dbraw/zinc/09/82/85/880098285.db2.gz XCWNMTYDFPYSSH-KRWDZBQOSA-N 0 1 385.439 3.779 20 5 GHBDMN CC1CCN([C@@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)c2cccs2)CC1 ZINC000520223629 880356580 /nfs/dbraw/zinc/35/65/80/880356580.db2.gz KCDUTYSYMPSCOO-KRWDZBQOSA-N 0 1 391.468 3.998 20 5 GHBDMN CCc1[nH]nc(C(=O)N(OC)[C@H](C)c2cccc(C(F)(F)F)c2)c1[N+](=O)[O-] ZINC000856340913 881148062 /nfs/dbraw/zinc/14/80/62/881148062.db2.gz UYWQPOIJDRUXLO-SECBINFHSA-N 0 1 386.330 3.664 20 5 GHBDMN Cc1cc(CNC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)n[nH]1 ZINC000609594697 883372554 /nfs/dbraw/zinc/37/25/54/883372554.db2.gz DIHVTLQLHQHYCW-UHFFFAOYSA-N 0 1 399.838 3.822 20 5 GHBDMN O=C(CCSc1ccccc1F)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000609710456 883567223 /nfs/dbraw/zinc/56/72/23/883567223.db2.gz ODVKRKVAIBLHEM-UHFFFAOYSA-N 0 1 387.396 3.640 20 5 GHBDMN CCN(CCNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)CCC(F)(F)F ZINC000494784637 883585896 /nfs/dbraw/zinc/58/58/96/883585896.db2.gz YEFKGGACYVFNAI-UHFFFAOYSA-N 0 1 376.379 3.607 20 5 GHBDMN CC(C)N1CCN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000609780959 883676276 /nfs/dbraw/zinc/67/62/76/883676276.db2.gz HOXKBAIPMHJUCE-UHFFFAOYSA-N 0 1 384.436 3.945 20 5 GHBDMN C[C@H]1SCCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[C@H]1c1ccccc1 ZINC000609822574 883698178 /nfs/dbraw/zinc/69/81/78/883698178.db2.gz KQIKQZWFDYQXEF-KZULUSFZSA-N 0 1 382.445 3.790 20 5 GHBDMN CC[C@H](NCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)[C@@H](O)C(F)(F)F ZINC000498360003 884153142 /nfs/dbraw/zinc/15/31/42/884153142.db2.gz VWWWPSXACGORAJ-XJKSGUPXSA-N 0 1 388.342 3.655 20 5 GHBDMN O=[N+]([O-])c1cc2c(cc1CNCCOc1ccccc1C(F)(F)F)OCCO2 ZINC000609288314 884568196 /nfs/dbraw/zinc/56/81/96/884568196.db2.gz VRPBHWLXCHLBOS-UHFFFAOYSA-N 0 1 398.337 3.553 20 5 GHBDMN C[C@@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@H](C)[C@H](C)N1Cc1ccccc1 ZINC001130668299 884807336 /nfs/dbraw/zinc/80/73/36/884807336.db2.gz HDZMFSDBNPIWSW-FGTMMUONSA-N 0 1 381.476 3.647 20 5 GHBDMN COC(=O)c1cccc2nc(NC(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)[nH]c21 ZINC001127331839 885211797 /nfs/dbraw/zinc/21/17/97/885211797.db2.gz VDOGWFQSMNWBIF-UHFFFAOYSA-N 0 1 396.403 3.808 20 5 GHBDMN O=C(c1ccccc1[N+](=O)[O-])N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000272227382 885353000 /nfs/dbraw/zinc/35/30/00/885353000.db2.gz LMNOPSJKIKLRGG-HNNXBMFYSA-N 0 1 383.452 3.780 20 5 GHBDMN Cc1ccc(NC(=O)N(C)C2CCN(CCC(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000454143970 886194809 /nfs/dbraw/zinc/19/48/09/886194809.db2.gz JJXMHKDTHFULQB-UHFFFAOYSA-N 0 1 388.390 3.784 20 5 GHBDMN C[C@](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)(c1ccc(F)cc1)C(F)(F)F ZINC001127402227 888408679 /nfs/dbraw/zinc/40/86/79/888408679.db2.gz TWUOVWVNYLBUII-INIZCTEOSA-N 0 1 396.300 3.818 20 5 GHBDMN Cc1ccc([C@@H](CNC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)N2CCCC2)o1 ZINC000454427647 889050072 /nfs/dbraw/zinc/05/00/72/889050072.db2.gz BLUVXVKVNLQSLX-MAUKXSAKSA-N 0 1 386.452 3.694 20 5 GHBDMN O=C(OCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc2cncn2c1 ZINC000811215510 889297773 /nfs/dbraw/zinc/29/77/73/889297773.db2.gz CRQYRSXPCSEZKA-UHFFFAOYSA-N 0 1 380.385 3.723 20 5 GHBDMN O=C(CN1CC[C@@H](c2ccc(Cl)cc2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000532980321 889450538 /nfs/dbraw/zinc/45/05/38/889450538.db2.gz JIXRWEKVODQUCL-MRXNPFEDSA-N 0 1 385.851 3.627 20 5 GHBDMN Cc1cccc(OC[C@H](O)CNCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])c1 ZINC000811476578 889664154 /nfs/dbraw/zinc/66/41/54/889664154.db2.gz WSBHDGVLPBRYMK-CQSZACIVSA-N 0 1 385.247 3.740 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@@H]3CS(=O)(=O)c4ccccc43)o2)cc1 ZINC001202527557 889813646 /nfs/dbraw/zinc/81/36/46/889813646.db2.gz BJIVFVUIXZVKSK-OAHLLOKOSA-N 0 1 398.440 3.516 20 5 GHBDMN O=C([O-])/C=C/c1ccc(N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000917062728 890897941 /nfs/dbraw/zinc/89/79/41/890897941.db2.gz WHSMNWRMVORNSG-CKDFRHGISA-N 0 1 381.432 3.769 20 5 GHBDMN O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CCN(C2CCCCC2)CC1 ZINC000813065112 891252730 /nfs/dbraw/zinc/25/27/30/891252730.db2.gz SNUFUNMCARKBFB-UHFFFAOYSA-N 0 1 386.279 3.992 20 5 GHBDMN COc1cc(CNC[C@H](c2ccco2)N2CCCCC2)c([N+](=O)[O-])cc1OC ZINC000237427379 891764688 /nfs/dbraw/zinc/76/46/88/891764688.db2.gz AXWZPFJPAHNDQF-QGZVFWFLSA-N 0 1 389.452 3.522 20 5 GHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC(CCc2ccccc2)CC1 ZINC000497522106 891784912 /nfs/dbraw/zinc/78/49/12/891784912.db2.gz UCNPCVFWLKKNSI-UHFFFAOYSA-N 0 1 378.432 3.956 20 5 GHBDMN COC(=O)COc1c(C)cc(CNC(C)(C)c2ccccc2[N+](=O)[O-])cc1C ZINC000813791464 891979617 /nfs/dbraw/zinc/97/96/17/891979617.db2.gz FCDAOWLYQRKDAV-UHFFFAOYSA-N 0 1 386.448 3.788 20 5 GHBDMN CCc1ccc([C@H]2CCN(Cn3cc([N+](=O)[O-])c(-c4ccncc4)n3)C2)cc1 ZINC000814226055 892416986 /nfs/dbraw/zinc/41/69/86/892416986.db2.gz ZEDNIOLZMZUEAR-IBGZPJMESA-N 0 1 377.448 3.863 20 5 GHBDMN CCOc1ccc2nc(SCCC(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2c1 ZINC000026358465 892580028 /nfs/dbraw/zinc/58/00/28/892580028.db2.gz KYVVSPAUWJHZBW-UHFFFAOYSA-N 0 1 386.433 3.991 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2ccc(CNCc3ccccc3Cn3cncn3)o2)c1 ZINC000508730637 893012230 /nfs/dbraw/zinc/01/22/30/893012230.db2.gz QWONKEZTQHUZSI-UHFFFAOYSA-N 0 1 389.415 3.784 20 5 GHBDMN COc1cc(CN(C)[C@@H]2CCCN(c3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000536668313 893488716 /nfs/dbraw/zinc/48/87/16/893488716.db2.gz SUQMBICDWOYSIX-GOSISDBHSA-N 0 1 385.464 3.713 20 5 GHBDMN C[C@@H]1C[C@H]1c1ccc(CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C2CC2)o1 ZINC000563475144 893779687 /nfs/dbraw/zinc/77/96/87/893779687.db2.gz HFCCOKHVGMXLEH-QGPMSJSTSA-N 0 1 386.448 3.716 20 5 GHBDMN COc1cc(CN[C@H](c2ccncc2)C2CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000934685527 893811989 /nfs/dbraw/zinc/81/19/89/893811989.db2.gz FMHCUBSAIVNBGL-KRWDZBQOSA-N 0 1 379.363 3.841 20 5 GHBDMN CCC[C@H](N[C@H]1CCN(c2ccccc2OC)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000536845545 893920965 /nfs/dbraw/zinc/92/09/65/893920965.db2.gz LYDQGTMHYFUHHL-ROUUACIJSA-N 0 1 383.448 3.840 20 5 GHBDMN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1cccc(OC(C)(C)C)n1 ZINC000536845224 893921251 /nfs/dbraw/zinc/92/12/51/893921251.db2.gz KUTCFWDPANTFDZ-CQSZACIVSA-N 0 1 386.452 3.674 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCc2cccc(Cl)c2C1 ZINC000459690987 894078533 /nfs/dbraw/zinc/07/85/33/894078533.db2.gz UJLIZFHVFHMAQG-UHFFFAOYSA-N 0 1 389.839 3.644 20 5 GHBDMN C[C@@H](CN(C)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)OC(C)(C)C ZINC000459812020 894199570 /nfs/dbraw/zinc/19/95/70/894199570.db2.gz RKPGUFIPAZRKGI-STQMWFEESA-N 0 1 390.440 3.615 20 5 GHBDMN CN(CCc1ccc(Br)cc1)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000774876242 913854834 /nfs/dbraw/zinc/85/48/34/913854834.db2.gz NLAIXLKYYYZLBV-UHFFFAOYSA-N 0 1 394.225 3.940 20 5 GHBDMN Cc1ccc([C@@H](C)NCC(=O)N2CCc3[nH]c4ccccc4c3C2)cc1[N+](=O)[O-] ZINC000537178266 894503510 /nfs/dbraw/zinc/50/35/10/894503510.db2.gz YERHSLGHCMDVCW-OAHLLOKOSA-N 0 1 392.459 3.620 20 5 GHBDMN CN(C)[C@@H](CNC(=O)CCc1ccc([N+](=O)[O-])cc1Cl)c1cccs1 ZINC001135456819 894620611 /nfs/dbraw/zinc/62/06/11/894620611.db2.gz RGEISRJSQWQQIQ-HNNXBMFYSA-N 0 1 381.885 3.661 20 5 GHBDMN CN(C)[C@@H]1CCOc2c(NC(=O)[C@@H]3C[C@@H]3c3cccc([N+](=O)[O-])c3)cccc21 ZINC000935718681 894753933 /nfs/dbraw/zinc/75/39/33/894753933.db2.gz WOKJDDDTNHUVDP-ZHALLVOQSA-N 0 1 381.432 3.722 20 5 GHBDMN O=C([O-])c1cc(N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000565037023 895361733 /nfs/dbraw/zinc/36/17/33/895361733.db2.gz ZKOASMBKGIDKMI-XLIONFOSSA-N 0 1 395.459 3.784 20 5 GHBDMN O=C(COc1cccc([N+](=O)[O-])c1)Nc1nc(-c2cccc3ccccc32)n[nH]1 ZINC000065514698 896569498 /nfs/dbraw/zinc/56/94/98/896569498.db2.gz PNYPMXYTQRTGJZ-UHFFFAOYSA-N 0 1 389.371 3.551 20 5 GHBDMN O=[N+]([O-])c1cccc([C@H](O)CNCc2cc(F)c(C(F)(F)F)cc2F)c1 ZINC000819312702 896605210 /nfs/dbraw/zinc/60/52/10/896605210.db2.gz VCSCLZVQLFIKTR-OAHLLOKOSA-N 0 1 376.281 3.715 20 5 GHBDMN C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)c3cc([O-])cc([N+](=O)[O-])c3)cc2)C1 ZINC001136252265 896903575 /nfs/dbraw/zinc/90/35/75/896903575.db2.gz GEOMFJIJBCMTPX-IYBDPMFKSA-N 0 1 397.475 3.708 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2cnn(CN3CC4(CCC4)[C@@H]3C3CCOCC3)c2)cc1 ZINC000819903301 897044887 /nfs/dbraw/zinc/04/48/87/897044887.db2.gz KERTZXMFJZQBBI-FQEVSTJZSA-N 0 1 382.464 3.697 20 5 GHBDMN C[C@@H](c1ccc(CN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1)C(F)(F)F ZINC000567337286 897072192 /nfs/dbraw/zinc/07/21/92/897072192.db2.gz TVQMRRAWNKZAOZ-AWEZNQCLSA-N 0 1 394.397 3.978 20 5 GHBDMN C[C@H](N[C@H]1CC2(CCOCC2)Oc2ccccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000883385044 897546356 /nfs/dbraw/zinc/54/63/56/897546356.db2.gz DFFPPBPJEMXLJK-KSSFIOAISA-N 0 1 383.448 3.901 20 5 GHBDMN C[C@H](NCc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc2c(c1)CCC(=O)N2 ZINC000289408077 914174885 /nfs/dbraw/zinc/17/48/85/914174885.db2.gz HKOPLUNEZNEVND-NSHDSACASA-N 0 1 391.374 3.932 20 5 GHBDMN O=[N+]([O-])c1ccc2[nH]c(CN[C@@H]3c4ccccc4CC34CCOCC4)nc2c1 ZINC000568333268 897751907 /nfs/dbraw/zinc/75/19/07/897751907.db2.gz QVHXMWMHMFQBHR-HXUWFJFHSA-N 0 1 378.432 3.655 20 5 GHBDMN CN(Cc1ccccc1OC(F)(F)F)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000045337013 900198086 /nfs/dbraw/zinc/19/80/86/900198086.db2.gz WNXRGUPGOAAQCY-UHFFFAOYSA-N 0 1 394.309 3.642 20 5 GHBDMN CC(C)Oc1cccc([C@H](C)NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c1 ZINC000885370730 900475309 /nfs/dbraw/zinc/47/53/09/900475309.db2.gz LDNKSBBGNZJKRF-LBPRGKRZSA-N 0 1 382.413 3.561 20 5 GHBDMN CC[N@@H+](CCC1CCN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CC1)CC1CC1 ZINC000844211860 900605289 /nfs/dbraw/zinc/60/52/89/900605289.db2.gz JEHUMIYHBSJMEL-UHFFFAOYSA-N 0 1 389.496 3.560 20 5 GHBDMN C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000844210700 900605876 /nfs/dbraw/zinc/60/58/76/900605876.db2.gz YWBKIDAECZIVGJ-SNPBTQNJSA-N 0 1 381.432 3.625 20 5 GHBDMN CCC[C@@H]1CN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000844213430 900608472 /nfs/dbraw/zinc/60/84/72/900608472.db2.gz XXISLSRBOYCBBT-LJQANCHMSA-N 0 1 397.475 3.713 20 5 GHBDMN O=[N+]([O-])c1ccc(N[C@H]2CCN(C[C@H](O)c3ccc(Cl)cc3Cl)C2)nc1 ZINC000136402331 900656400 /nfs/dbraw/zinc/65/64/00/900656400.db2.gz ICIFXDAMLBMDQY-LRDDRELGSA-N 0 1 397.262 3.516 20 5 GHBDMN CCSc1cccc(F)c1NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000574133345 900790331 /nfs/dbraw/zinc/79/03/31/900790331.db2.gz FINDSPFWQXYPBX-UHFFFAOYSA-N 0 1 378.381 3.869 20 5 GHBDMN O=C(CNC1(c2ccc(Cl)cc2)CCC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000574539216 900920243 /nfs/dbraw/zinc/92/02/43/900920243.db2.gz NKYIYJWJQCWXMF-UHFFFAOYSA-N 0 1 385.851 3.806 20 5 GHBDMN C[C@@H](C(=O)NCCN1CC=C(C(C)(C)C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000576366826 901975005 /nfs/dbraw/zinc/97/50/05/901975005.db2.gz GWICTRKOHJQDOF-CQSZACIVSA-N 0 1 377.460 3.632 20 5 GHBDMN CCOc1ccc([C@H](C)N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000047608683 902204440 /nfs/dbraw/zinc/20/44/40/902204440.db2.gz BPLVZYYJRYIJSZ-UONOGXRCSA-N 0 1 387.436 3.680 20 5 GHBDMN CC1(C)CN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)Cc2ccccc2O1 ZINC000576736925 902226865 /nfs/dbraw/zinc/22/68/65/902226865.db2.gz HGVWQCVCTPTXBU-UHFFFAOYSA-N 0 1 397.431 3.566 20 5 GHBDMN CC(C)N(C)Cc1ccccc1CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000129134631 902766249 /nfs/dbraw/zinc/76/62/49/902766249.db2.gz KCQLLLVNYZURCU-UHFFFAOYSA-N 0 1 397.522 3.512 20 5 GHBDMN C[C@@H](COCC(F)(F)F)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000264979125 903528352 /nfs/dbraw/zinc/52/83/52/903528352.db2.gz TYPUSFZSQVBFKZ-JTQLQIEISA-N 0 1 375.372 3.775 20 5 GHBDMN C[N@@H+](CCc1ccccc1[N+](=O)[O-])[C@@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC000579129219 904366496 /nfs/dbraw/zinc/36/64/96/904366496.db2.gz GNYWEAFFYRFWAQ-MRXNPFEDSA-N 0 1 382.338 3.914 20 5 GHBDMN O=[N+]([O-])c1ccc2c(c1)CC[C@H](N1CCO[C@H](COc3ccccc3)C1)CC2 ZINC001172920044 905990486 /nfs/dbraw/zinc/99/04/86/905990486.db2.gz IAZIYFNSXSJLJC-KNQAVFIVSA-N 0 1 382.460 3.622 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N[C@H](CO)c2ccccc2Cl)c1F ZINC001173177533 906255574 /nfs/dbraw/zinc/25/55/74/906255574.db2.gz BUMPAWWXGMRKCI-IAQYHMDHSA-N 0 1 382.819 3.650 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C[C@H](C)N[C@@H](c2ccccc2)c2cccnn2)c1F ZINC001173186378 906267862 /nfs/dbraw/zinc/26/78/62/906267862.db2.gz ROFNCWKFCCTTBU-QKKBWIMNSA-N 0 1 396.422 3.843 20 5 GHBDMN COc1cccc([C@H](CNC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)N(C)C)c1 ZINC000191320400 906870998 /nfs/dbraw/zinc/87/09/98/906870998.db2.gz FZHQXKMGOYCWPC-IBGZPJMESA-N 0 1 386.452 3.645 20 5 GHBDMN COc1cccc(C(=O)Nc2cc(C)cc(Br)c2O)c1[N+](=O)[O-] ZINC000192853438 907960639 /nfs/dbraw/zinc/96/06/39/907960639.db2.gz HSYFPJZRACGRAW-UHFFFAOYSA-N 0 1 381.182 3.632 20 5 GHBDMN CN(C)[C@H](CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccsc1 ZINC000266277583 909061436 /nfs/dbraw/zinc/06/14/36/909061436.db2.gz TXPOXMPABTWPMV-CQSZACIVSA-N 0 1 387.383 3.708 20 5 GHBDMN O=C([O-])CC[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C[C@H]1CCCO1 ZINC000901681003 921466868 /nfs/dbraw/zinc/46/68/68/921466868.db2.gz JREDBQRASZHBGS-CQSZACIVSA-N 0 1 390.461 3.779 20 5 GHBDMN Cc1csc(CNCc2cc(I)cc([N+](=O)[O-])c2)c1 ZINC001178754216 909215038 /nfs/dbraw/zinc/21/50/38/909215038.db2.gz GOPDITPPLQCNQE-UHFFFAOYSA-N 0 1 388.230 3.859 20 5 GHBDMN C[C@H](CNC(=O)c1ccc(Nc2ccncc2)cc1)c1ccccc1[N+](=O)[O-] ZINC001179400254 909503395 /nfs/dbraw/zinc/50/33/95/909503395.db2.gz XZPUUNGWGOTXNA-OAHLLOKOSA-N 0 1 376.416 3.689 20 5 GHBDMN O=[N+]([O-])c1cccc(Br)c1CNCC[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC001179559626 909594356 /nfs/dbraw/zinc/59/43/56/909594356.db2.gz OADRTXGZTBRLJS-ZANVPECISA-N 0 1 397.191 3.947 20 5 GHBDMN O=[N+]([O-])c1ccc(N[C@@H]2CCN(C[C@@H](O)c3ccc(Cl)cc3Cl)C2)nc1 ZINC000245631632 909782228 /nfs/dbraw/zinc/78/22/28/909782228.db2.gz ICIFXDAMLBMDQY-MLGOLLRUSA-N 0 1 397.262 3.516 20 5 GHBDMN C[C@H](C(=O)NCc1ccccc1[N+](=O)[O-])N1CCC(Cc2ccccc2)CC1 ZINC000303556094 914906999 /nfs/dbraw/zinc/90/69/99/914906999.db2.gz WSYSEVBPDCRZAF-QGZVFWFLSA-N 0 1 381.476 3.554 20 5 GHBDMN O=C(N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000303575386 914956876 /nfs/dbraw/zinc/95/68/76/914956876.db2.gz NQGJLNOWAQKCTE-MRXNPFEDSA-N 0 1 393.365 3.618 20 5 GHBDMN O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3ccc(OC(F)(F)F)cc3)C2)nc1 ZINC000303743140 915086535 /nfs/dbraw/zinc/08/65/35/915086535.db2.gz ZSXUDGDGFUSQQK-CYBMUJFWSA-N 0 1 382.342 3.575 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1CSc1nc(-c2cc(F)cc(F)c2)n[nH]1 ZINC000303837965 915157712 /nfs/dbraw/zinc/15/77/12/915157712.db2.gz BCMGHOTUSNGRLA-UHFFFAOYSA-N 0 1 378.360 3.959 20 5 GHBDMN COc1cc(CNC(C)(C)c2ccccc2[N+](=O)[O-])ccc1OC(=O)C1CC1 ZINC000292837644 915869100 /nfs/dbraw/zinc/86/91/00/915869100.db2.gz RVMKPRMMKNJYGE-UHFFFAOYSA-N 0 1 384.432 3.944 20 5 GHBDMN C[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1OC(F)F ZINC000295659706 917403635 /nfs/dbraw/zinc/40/36/35/917403635.db2.gz BOVADAHKUPFYDP-NWDGAFQWSA-N 0 1 379.363 3.874 20 5 GHBDMN O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3ccc4ccc(Cl)cc4n3)C2)nc1 ZINC001191765664 918172918 /nfs/dbraw/zinc/17/29/18/918172918.db2.gz ZSAVXHPMPLRPJX-MRXNPFEDSA-N 0 1 383.839 3.878 20 5 GHBDMN Cn1cc([C@@]2(CN[C@@H](c3ccccc3)c3cccc([N+](=O)[O-])c3)CCCO2)cn1 ZINC000903362455 922960684 /nfs/dbraw/zinc/96/06/84/922960684.db2.gz ZUDDZZREHLSITR-VXKWHMMOSA-N 0 1 392.459 3.713 20 5 GHBDMN Cn1cc(CN[C@@H]2CCOc3c(F)cccc32)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000372897842 925764543 /nfs/dbraw/zinc/76/45/43/925764543.db2.gz RHDZJQYWUIRLAN-GOSISDBHSA-N 0 1 382.395 3.748 20 5 GHBDMN O=CN1CCCN(Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 ZINC000827877411 926151870 /nfs/dbraw/zinc/15/18/70/926151870.db2.gz MYFILJSQMWLPQH-UHFFFAOYSA-N 0 1 389.839 3.705 20 5 GHBDMN O=C(CN1CCCCC[C@@H]1C[C@H](O)c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000751558982 928249177 /nfs/dbraw/zinc/24/91/77/928249177.db2.gz LPXWOLMGMVLELB-NQIIRXRSSA-N 0 1 397.475 3.902 20 5 GHBDMN Cc1ccc(N(C)[C@H]2CCCN(C(=O)c3[nH]nc4ccc([N+](=O)[O-])cc43)C2)cc1 ZINC000753047063 929175696 /nfs/dbraw/zinc/17/56/96/929175696.db2.gz DZBVHAKMTWIWCE-KRWDZBQOSA-N 0 1 393.447 3.521 20 5 GHBDMN COc1c(C)ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)c1C ZINC000753067190 929188942 /nfs/dbraw/zinc/18/89/42/929188942.db2.gz FQIWJHWFPWWIIZ-UHFFFAOYSA-N 0 1 384.841 3.983 20 5 GHBDMN Cc1cc(C(=O)NC[C@H](c2cccc(C(F)(F)F)c2)N(C)C)ccc1[N+](=O)[O-] ZINC000469494908 929939256 /nfs/dbraw/zinc/93/92/56/929939256.db2.gz ZRNFIXHNSOEABY-QGZVFWFLSA-N 0 1 395.381 3.955 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000758781884 930165636 /nfs/dbraw/zinc/16/56/36/930165636.db2.gz YGGWFQWAMZZSLV-LSDHHAIUSA-N 0 1 393.484 3.729 20 5 GHBDMN NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000470147684 930406618 /nfs/dbraw/zinc/40/66/18/930406618.db2.gz PZCNZVHRJUELQO-VZSAFFHGSA-N 0 1 389.839 3.594 20 5 GHBDMN NC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000470147684 930406621 /nfs/dbraw/zinc/40/66/21/930406621.db2.gz PZCNZVHRJUELQO-VZSAFFHGSA-N 0 1 389.839 3.594 20 5 GHBDMN O=[N+]([O-])c1ccc(CN[C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)cc1Cl ZINC000783625812 931599500 /nfs/dbraw/zinc/59/95/00/931599500.db2.gz FUTLVXMPINHFOV-GDBMZVCRSA-N 0 1 388.773 3.872 20 5 GHBDMN CC[C@H](CSc1ccccc1[N+](=O)[O-])NCc1nc2c(s1)COCC2 ZINC000927120698 932421346 /nfs/dbraw/zinc/42/13/46/932421346.db2.gz KMOAQLVLOWCBQD-GFCCVEGCSA-N 0 1 379.507 3.785 20 5 GHBDMN O=[N+]([O-])c1cc(F)c(S(=O)(=O)Nc2cc(Cl)ccc2F)cc1Cl ZINC000798246989 932575147 /nfs/dbraw/zinc/57/51/47/932575147.db2.gz LWJMBCNMPGPBKV-UHFFFAOYSA-N 0 1 383.159 3.981 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2ccc(CN3CCC[C@H]([C@@H](O)C(F)(F)F)C3)o2)cc1 ZINC000559959523 932981253 /nfs/dbraw/zinc/98/12/53/932981253.db2.gz WPNQKJMTZXXOKJ-SUMWQHHRSA-N 0 1 384.354 3.990 20 5 GHBDMN COc1ccc(C[C@@H](C)N(C)CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC001116326039 933482670 /nfs/dbraw/zinc/48/26/70/933482670.db2.gz MSRYWTZSNLRRRC-CYBMUJFWSA-N 0 1 391.855 3.758 20 5 GHBDMN CC[C@H](N[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001116542023 933622640 /nfs/dbraw/zinc/62/26/40/933622640.db2.gz PHMHZFNIHRZRGS-LRDDRELGSA-N 0 1 375.400 3.810 20 5 GHBDMN Cc1cc(F)ccc1C1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000560940468 933709903 /nfs/dbraw/zinc/70/99/03/933709903.db2.gz IJNDXDYMUZNSTF-UHFFFAOYSA-N 0 1 382.395 3.938 20 5 GHBDMN COc1ccc(NC(=O)CCN[C@@H](C)c2c(F)cccc2F)c([N+](=O)[O-])c1 ZINC000561090864 933854869 /nfs/dbraw/zinc/85/48/69/933854869.db2.gz TWKSCCVBZVNANQ-NSHDSACASA-N 0 1 379.363 3.561 20 5 GHBDMN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(OC2CCCC2)nc1 ZINC000777934381 934239701 /nfs/dbraw/zinc/23/97/01/934239701.db2.gz XYCJJAAZAIRAJP-UHFFFAOYSA-N 0 1 395.412 3.560 20 5 GHBDMN O=C(Nc1cc(Cl)c(O)cc1F)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000561674536 934355060 /nfs/dbraw/zinc/35/50/60/934355060.db2.gz ULYMKKDJSFGSJS-UHFFFAOYSA-N 0 1 376.731 3.531 20 5 GHBDMN COC(=O)/C=C\c1ccc(NC[C@H](c2ccco2)N2CCCC2)c([N+](=O)[O-])c1 ZINC000931318149 934502137 /nfs/dbraw/zinc/50/21/37/934502137.db2.gz SPWOIWLURCDBSV-YPLUBFQTSA-N 0 1 385.420 3.623 20 5 GHBDMN Cc1cc(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])nn1C1CCCCC1 ZINC000562233649 934775916 /nfs/dbraw/zinc/77/59/16/934775916.db2.gz ZBKWPSGEAOCKHD-UHFFFAOYSA-N 0 1 392.481 3.589 20 5 GHBDMN C[C@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000830166946 935908351 /nfs/dbraw/zinc/90/83/51/935908351.db2.gz CBRFEJJOKMSSLU-HOTGVXAUSA-N 0 1 382.464 3.873 20 5 GHBDMN 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ZINC001229361885 1033438559 /nfs/dbraw/zinc/43/85/59/1033438559.db2.gz PPAOHFZYPYWZAQ-AUUYWEPGSA-N 0 1 394.431 3.533 20 5 GHBDMN O=[N+]([O-])c1cc([N+](=O)[O-])c(O[C@@H]2CC[N@H+](Cc3ccccc3Cl)C2)cc1[O-] ZINC001231227813 1034472715 /nfs/dbraw/zinc/47/27/15/1034472715.db2.gz MVOMTTPFFDSVEA-GFCCVEGCSA-N 0 1 393.783 3.515 20 5 GHBDMN O=[N+]([O-])c1cc([N+](=O)[O-])c(O[C@@H]2CC[N@@H+](Cc3ccccc3Cl)C2)cc1[O-] ZINC001231227813 1034472724 /nfs/dbraw/zinc/47/27/24/1034472724.db2.gz MVOMTTPFFDSVEA-GFCCVEGCSA-N 0 1 393.783 3.515 20 5 GHBDMN Cc1nccnc1O[C@@H]1CCCN(Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232228662 1035173180 /nfs/dbraw/zinc/17/31/80/1035173180.db2.gz UEJDPYFLLROAAR-HXUWFJFHSA-N 0 1 385.471 3.925 20 5 GHBDMN Cc1nccnc1O[C@H]1CCCN(Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232228661 1035173275 /nfs/dbraw/zinc/17/32/75/1035173275.db2.gz UEJDPYFLLROAAR-FQEVSTJZSA-N 0 1 385.471 3.925 20 5 GHBDMN CN(C)C[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 ZINC001462053140 1069968593 /nfs/dbraw/zinc/96/85/93/1069968593.db2.gz OQFVXEYPAZTILN-CYBMUJFWSA-N 0 1 388.276 3.996 20 5 GHBDMN C[C@H](c1nc(-c2cccc(N3CCN(C)CC3)c2)no1)c1ccc([N+](=O)[O-])cc1 ZINC001247602861 1038270980 /nfs/dbraw/zinc/27/09/80/1038270980.db2.gz LXKJRLIKSLCPNJ-HNNXBMFYSA-N 0 1 393.447 3.548 20 5 GHBDMN COc1c(O)ccc2c(=O)c3c(OC4CC[NH+](C(C)C)CC4)cc([O-])cc3oc21 ZINC001234750338 1040277955 /nfs/dbraw/zinc/27/79/55/1040277955.db2.gz XZPJDMXWQKYOER-UHFFFAOYSA-N 0 1 399.443 3.618 20 5 GHBDMN CCOC[C@@H]1CN([C@@H](C)Cc2ccccc2[N+](=O)[O-])Cc2cn(CC3CC3)nc21 ZINC001254560360 1040331309 /nfs/dbraw/zinc/33/13/09/1040331309.db2.gz FLRGDKWEPVPRPL-JXFKEZNVSA-N 0 1 398.507 3.768 20 5 GHBDMN CCOC(=O)c1ccc(N2CCN([C@H](C)Cc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC001254566276 1040342004 /nfs/dbraw/zinc/34/20/04/1040342004.db2.gz SFHNCXHQJMNEOW-QGZVFWFLSA-N 0 1 397.475 3.525 20 5 GHBDMN C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](NC(=O)c2ccc(F)cc2)C1 ZINC001254567370 1040343248 /nfs/dbraw/zinc/34/32/48/1040343248.db2.gz CIVPDZYTFWQXTP-DNVCBOLYSA-N 0 1 385.439 3.559 20 5 GHBDMN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCC[C@@H](NC(=O)c2ccc(F)cc2)C1 ZINC001254567370 1040343267 /nfs/dbraw/zinc/34/32/67/1040343267.db2.gz CIVPDZYTFWQXTP-DNVCBOLYSA-N 0 1 385.439 3.559 20 5 GHBDMN O=C1CC2(CCN([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)Oc2ccccc21 ZINC001254600310 1040370578 /nfs/dbraw/zinc/37/05/78/1040370578.db2.gz OZACFRUMHHVAON-GOSISDBHSA-N 0 1 378.428 3.562 20 5 GHBDMN Cc1csc([C@H]2C[C@@H]3CCN([C@@H]4Cc5ccc([N+](=O)[O-])cc5C4)C[C@H]3O2)n1 ZINC001254598276 1040371484 /nfs/dbraw/zinc/37/14/84/1040371484.db2.gz VMWQWWDPVLYZJJ-JEDBISTDSA-N 0 1 385.489 3.679 20 5 GHBDMN COc1cc(N2CCN([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)ccc1Cl ZINC001254608247 1040379702 /nfs/dbraw/zinc/37/97/02/1040379702.db2.gz PYYGHMXBSXAXAU-GOSISDBHSA-N 0 1 387.867 3.546 20 5 GHBDMN Cc1ccc2c(c1)C(=O)CC1(CCN([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC1)O2 ZINC001254609520 1040382270 /nfs/dbraw/zinc/38/22/70/1040382270.db2.gz WTVFYYBOTOHTNM-IBGZPJMESA-N 0 1 392.455 3.870 20 5 GHBDMN O=[N+]([O-])c1cc(O)ccc1-c1nnc(-c2cc(F)cc(Br)c2)o1 ZINC001255965943 1041446454 /nfs/dbraw/zinc/44/64/54/1041446454.db2.gz JMNMTUHQZKDFOH-UHFFFAOYSA-N 0 1 380.129 3.919 20 5 GHBDMN O=[N+]([O-])c1cc(O)cc(-c2nnc(-c3cc(F)cc(Br)c3)o2)c1 ZINC001255966212 1041446493 /nfs/dbraw/zinc/44/64/93/1041446493.db2.gz MVTRJRJODOTBDV-UHFFFAOYSA-N 0 1 380.129 3.919 20 5 GHBDMN COCCCOc1ccccc1NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001291927796 1043533093 /nfs/dbraw/zinc/53/30/93/1043533093.db2.gz BUKTXMGYLOTWPO-UHFFFAOYSA-N 0 1 396.403 3.653 20 5 GHBDMN CCCN(C(=O)c1ccc([N+](=O)[O-])cc1[O-])[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001292563181 1043788878 /nfs/dbraw/zinc/78/88/78/1043788878.db2.gz PXFHPEMINKZVBZ-IBGZPJMESA-N 0 1 397.475 3.817 20 5 GHBDMN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000843776643 1047083945 /nfs/dbraw/zinc/08/39/45/1047083945.db2.gz SXOCJXRWXYICQM-KRWDZBQOSA-N 0 1 385.439 3.827 20 5 GHBDMN C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)[C@@H](C)CN1Cc1ccccc1 ZINC001266227185 1047720121 /nfs/dbraw/zinc/72/01/21/1047720121.db2.gz XSNWYQGHGBKUQR-WOSNLTMFSA-N 0 1 393.487 3.820 20 5 GHBDMN Cc1c(C(=O)Nc2nc3cc(Br)c(F)cc3[nH]2)cccc1[N+](=O)[O-] ZINC001463338678 1070995219 /nfs/dbraw/zinc/99/52/19/1070995219.db2.gz RFEFUGWPZAYJIH-UHFFFAOYSA-N 0 1 393.172 3.933 20 5 GHBDMN O=C(Nc1nccc2cc([N+](=O)[O-])ccc21)c1ccc(Br)cc1O ZINC001306862185 1048932101 /nfs/dbraw/zinc/93/21/01/1048932101.db2.gz DWDQZRPZTGURQO-UHFFFAOYSA-N 0 1 388.177 3.863 20 5 GHBDMN O=[N+]([O-])c1ccc(Sc2nc(-c3ccc4c(c3)OCCO4)n[nH]2)c(Cl)c1 ZINC001307077596 1049057814 /nfs/dbraw/zinc/05/78/14/1049057814.db2.gz NYGYFSWQFITFBE-UHFFFAOYSA-N 0 1 390.808 3.956 20 5 GHBDMN C[C@@H](c1ccccc1)[C@H](CO)NCc1cc([N+](=O)[O-])ccc1Br ZINC001307657134 1049482621 /nfs/dbraw/zinc/48/26/21/1049482621.db2.gz HOTIVAZHKWVFFH-SJCJKPOMSA-N 0 1 379.254 3.612 20 5 GHBDMN CCOC(=O)[C@]1(C(C)C)CCN(Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC001307725644 1049539304 /nfs/dbraw/zinc/53/93/04/1049539304.db2.gz YIPBHDHAPGNJSN-QGZVFWFLSA-N 0 1 399.285 3.769 20 5 GHBDMN C[C@H]1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001307817869 1049612920 /nfs/dbraw/zinc/61/29/20/1049612920.db2.gz NAPQIBDRXIKLKX-DZGCQCFKSA-N 0 1 381.448 3.717 20 5 GHBDMN C[C@@H]1C[C@H](C)CN(CCN[C@@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)C1 ZINC001307840360 1049626392 /nfs/dbraw/zinc/62/63/92/1049626392.db2.gz BGMVULKLWKGCNJ-OZVIIMIRSA-N 0 1 377.382 3.905 20 5 GHBDMN CN(Cc1nc2ccc(C(F)(F)F)cc2[nH]1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001307921768 1049696999 /nfs/dbraw/zinc/69/69/99/1049696999.db2.gz YRXKABRRCLPTCO-MRXNPFEDSA-N 0 1 394.353 3.655 20 5 GHBDMN CC(C)c1cc([C@H]2CCCN([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)[nH]n1 ZINC001308053962 1049801083 /nfs/dbraw/zinc/80/10/83/1049801083.db2.gz BLLGDUDWBHLFLZ-CABCVRRESA-N 0 1 385.468 3.648 20 5 GHBDMN COc1ccc([C@@H](C)NCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])cc1C ZINC001308118207 1049861557 /nfs/dbraw/zinc/86/15/57/1049861557.db2.gz BZFGDFOVWUCIQU-GFCCVEGCSA-N 0 1 377.828 3.855 20 5 GHBDMN O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@H](O)c2c(F)cccc2Cl)c1 ZINC001308283010 1049936918 /nfs/dbraw/zinc/93/69/18/1049936918.db2.gz QTIFCUHHEXCESP-ZDUSSCGKSA-N 0 1 390.745 3.812 20 5 GHBDMN Cc1n[nH]c(=O)c(CNCc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)c1C ZINC001318385169 1054603989 /nfs/dbraw/zinc/60/39/89/1054603989.db2.gz WKVKQUMEKZRUJI-UHFFFAOYSA-N 0 1 393.447 3.765 20 5 GHBDMN C[C@H](CO)N(Cc1ccccc1)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC001321739728 1056381255 /nfs/dbraw/zinc/38/12/55/1056381255.db2.gz XKIJRGAMKNHRGX-CYBMUJFWSA-N 0 1 379.254 3.740 20 5 GHBDMN COc1cc(CN2CCC[C@H](c3nc4ccccc4[nH]3)C2)c([N+](=O)[O-])cc1OC ZINC001324716975 1057210202 /nfs/dbraw/zinc/21/02/02/1057210202.db2.gz UOBLWTQKILQEFH-AWEZNQCLSA-N 0 1 396.447 3.868 20 5 GHBDMN C[C@H](C(=O)Nc1nc(-c2ccc3ccccc3n2)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC001450075371 1060524808 /nfs/dbraw/zinc/52/48/08/1060524808.db2.gz NHNGSHWORKHWDP-LBPRGKRZSA-N 0 1 388.387 3.670 20 5 GHBDMN CCc1[nH]nc(C(=O)N2CCC[C@]2(C)Cc2cc(F)c(F)c(F)c2)c1[N+](=O)[O-] ZINC001455243326 1062069041 /nfs/dbraw/zinc/06/90/41/1062069041.db2.gz RSSCQZDYIXWFCN-GOSISDBHSA-N 0 1 396.369 3.535 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(CN2CCC(F)(F)[C@@H](CO)C2)o1 ZINC001347443493 1062388324 /nfs/dbraw/zinc/38/83/24/1062388324.db2.gz ZYEZRROXIQTUKM-LLVKDONJSA-N 0 1 386.782 3.958 20 5 GHBDMN CCN(CC)[C@H](CNc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-])c1ccco1 ZINC001458140275 1063595374 /nfs/dbraw/zinc/59/53/74/1063595374.db2.gz WTYFLBQWQGVWDT-MRXNPFEDSA-N 0 1 384.436 3.535 20 5 GHBDMN O=C(NC[C@H](c1ccco1)N1CCCCC1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001349251095 1063613875 /nfs/dbraw/zinc/61/38/75/1063613875.db2.gz RIXCZYDDIREFCE-IPMKNSEASA-N 0 1 383.448 3.635 20 5 GHBDMN O=[N+]([O-])c1cnc2c(Cl)cccc2c1NCc1nc(-c2ccc(F)cc2)n[nH]1 ZINC001458166655 1063623670 /nfs/dbraw/zinc/62/36/70/1063623670.db2.gz NKXLZIASZCXOEU-UHFFFAOYSA-N 0 1 398.785 3.755 20 5 GHBDMN O=[N+]([O-])c1cnc2c(Cl)cccc2c1NCc1n[nH]c(-c2ccc(F)cc2)n1 ZINC001458166655 1063623674 /nfs/dbraw/zinc/62/36/74/1063623674.db2.gz NKXLZIASZCXOEU-UHFFFAOYSA-N 0 1 398.785 3.755 20 5 GHBDMN CCC[N@@H+](Cc1cc([O-])ccc1[N+](=O)[O-])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001459465019 1064105789 /nfs/dbraw/zinc/10/57/89/1064105789.db2.gz GYQXIZDYTQIVOO-OAHLLOKOSA-N 0 1 379.457 3.522 20 5 GHBDMN CN(C(=O)CN1CCC[C@]2(CCCc3ccccc32)C1)c1ccc([N+](=O)[O-])cc1 ZINC001459625809 1064148866 /nfs/dbraw/zinc/14/88/66/1064148866.db2.gz XUCFQXQTNJMIMO-HSZRJFAPSA-N 0 1 393.487 3.928 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N[C@@H]2CCCc3ccccc32)c1 ZINC001464725735 1065178680 /nfs/dbraw/zinc/17/86/80/1065178680.db2.gz BXSOGMNRPRBVKF-CQSZACIVSA-N 0 1 384.816 3.743 20 5 GHBDMN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1CCSC[C@H]1c1ccccc1 ZINC001465177002 1065439624 /nfs/dbraw/zinc/43/96/24/1065439624.db2.gz VDVBUDXRVLRXPL-IBGZPJMESA-N 0 1 394.456 3.915 20 5 GHBDMN COc1cccc([C@H](CNC(=O)Nc2cc(C)cc([N+](=O)[O-])c2)N2CCCC2)c1 ZINC001467527085 1067343283 /nfs/dbraw/zinc/34/32/83/1067343283.db2.gz MWEYVJGNZQQMEB-FQEVSTJZSA-N 0 1 398.463 3.870 20 5 GHBDMN CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC001460120811 1068792875 /nfs/dbraw/zinc/79/28/75/1068792875.db2.gz OQVTWMZRUWDYIT-INIZCTEOSA-N 0 1 399.516 3.911 20 5 GHBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCOc2cc(F)c(Br)cc21 ZINC001460164492 1068825178 /nfs/dbraw/zinc/82/51/78/1068825178.db2.gz YUEPHHPJIKYAJM-UHFFFAOYSA-N 0 1 383.173 3.601 20 5 GHBDMN COc1ccc(CN2CC[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC001460880731 1069250168 /nfs/dbraw/zinc/25/01/68/1069250168.db2.gz LUAAYZSCXASFFB-HOCLYGCPSA-N 0 1 393.484 3.586 20 5 GHBDMN O=C(N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1)c1cc([N+](=O)[O-])ccc1F ZINC001471063659 1072910946 /nfs/dbraw/zinc/91/09/46/1072910946.db2.gz PSSCYURZFQISNX-QGZVFWFLSA-N 0 1 385.439 3.909 20 5 GHBDMN Cc1ccc(-c2n[nH]c(NC(=O)C3(c4ccc([N+](=O)[O-])cc4)CCC3)n2)cc1 ZINC001472483377 1073505273 /nfs/dbraw/zinc/50/52/73/1073505273.db2.gz BMOYZIVZAQTTIR-UHFFFAOYSA-N 0 1 377.404 3.749 20 5 GHBDMN CC(C)c1cc([C@@H]2CCCN(c3c4ccccc4n(C)c(=O)c3[N+](=O)[O-])C2)[nH]n1 ZINC001472868372 1073703723 /nfs/dbraw/zinc/70/37/23/1073703723.db2.gz CYMZOYZNCNHWGT-CQSZACIVSA-N 0 1 395.463 3.677 20 5 GHBDMN O=[N+]([O-])c1ccc(O)cc1CN(c1cccc(CO)c1)C1Cc2ccccc2C1 ZINC001473434013 1073961886 /nfs/dbraw/zinc/96/18/86/1073961886.db2.gz IYGYPESDDYOQLB-UHFFFAOYSA-N 0 1 390.439 3.967 20 5 GHBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCN(c2cc(Cl)ccc2Cl)CC1 ZINC001473611930 1074048056 /nfs/dbraw/zinc/04/80/56/1074048056.db2.gz IHOQUBWGJJKSFI-UHFFFAOYSA-N 0 1 382.247 3.929 20 5 GHBDMN COc1ccc(NC(=O)[C@@H](C)N[C@H](C)COCC2CCCCC2)c([N+](=O)[O-])c1 ZINC001473815612 1074157712 /nfs/dbraw/zinc/15/77/12/1074157712.db2.gz JUQWMUKBKHKEBN-HUUCEWRRSA-N 0 1 393.484 3.505 20 5 GHBDMN C[C@@](CO)(Cc1ccc(Br)cc1)NCc1c(F)cccc1[N+](=O)[O-] ZINC001655736592 1126256146 /nfs/dbraw/zinc/25/61/46/1126256146.db2.gz PYTHPUCRWJIBAH-KRWDZBQOSA-N 0 1 397.244 3.580 20 5 GHBDMN C[C@H](NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1cccc(-c2nn[nH]n2)c1 ZINC000820428671 599394262 /nfs/dbraw/zinc/39/42/62/599394262.db2.gz YJLNSIVTGBVQKG-ZDUSSCGKSA-N 0 1 390.403 3.886 20 5 GHBDMN CC(C)OC[C@H](C(=O)[O-])[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000833505411 604767405 /nfs/dbraw/zinc/76/74/05/604767405.db2.gz JIQKOMDOIGZEJV-MRXNPFEDSA-N 0 1 378.450 3.633 20 5 GHBDMN CC(C)OC[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000833505411 604767407 /nfs/dbraw/zinc/76/74/07/604767407.db2.gz JIQKOMDOIGZEJV-MRXNPFEDSA-N 0 1 378.450 3.633 20 5 GHBDMN CC(C)OC[C@@H](C(=O)[O-])[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000833505770 604768397 /nfs/dbraw/zinc/76/83/97/604768397.db2.gz NVOAYZSFMILSLM-INIZCTEOSA-N 0 1 378.450 3.633 20 5 GHBDMN CC(C)OC[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000833505770 604768400 /nfs/dbraw/zinc/76/84/00/604768400.db2.gz NVOAYZSFMILSLM-INIZCTEOSA-N 0 1 378.450 3.633 20 5 GHBDMN CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000833418890 605552511 /nfs/dbraw/zinc/55/25/11/605552511.db2.gz CBHIZROTOYCRJC-LBPRGKRZSA-N 0 1 385.258 3.680 20 5 GHBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824771136 608463478 /nfs/dbraw/zinc/46/34/78/608463478.db2.gz PKJAOSYTKFMJGL-CQSZACIVSA-N 0 1 376.420 3.625 20 5 GHBDMN CCN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H](COC)Cc1ccccc1 ZINC000472323281 834673829 /nfs/dbraw/zinc/67/38/29/834673829.db2.gz SMMHPGPNJWVNPR-IBGZPJMESA-N 0 1 396.447 3.724 20 5 GHBDMN CC[C@@H](NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(Cl)cc1 ZINC000024254576 834685402 /nfs/dbraw/zinc/68/54/02/834685402.db2.gz DDFHMFWZRASMLJ-CYBMUJFWSA-N 0 1 391.811 3.656 20 5 GHBDMN O=[N+]([O-])c1ccccc1OCCN1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000120247124 834982887 /nfs/dbraw/zinc/98/28/87/834982887.db2.gz SMTMDEFSJJLINN-KRWDZBQOSA-N 0 1 379.420 3.596 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000430200976 835033204 /nfs/dbraw/zinc/03/32/04/835033204.db2.gz BJHSNAJDKKZZHI-KRWDZBQOSA-N 0 1 379.420 3.726 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000430200976 835033214 /nfs/dbraw/zinc/03/32/14/835033214.db2.gz BJHSNAJDKKZZHI-KRWDZBQOSA-N 0 1 379.420 3.726 20 5 GHBDMN Cc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1F ZINC000536135881 835086795 /nfs/dbraw/zinc/08/67/95/835086795.db2.gz NFNIAQTVGCFPNT-UHFFFAOYSA-N 0 1 378.303 3.862 20 5 GHBDMN COc1ccc(OC)c(CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000409875590 835172640 /nfs/dbraw/zinc/17/26/40/835172640.db2.gz RTLPTVNHRPRPOF-UHFFFAOYSA-N 0 1 399.447 3.605 20 5 GHBDMN O=[N+]([O-])c1cc(CN[C@H](C[C@H]2CCOC2)c2ccccc2)c2c(c1)COCO2 ZINC000179015951 835311452 /nfs/dbraw/zinc/31/14/52/835311452.db2.gz AZHKBASRYZWRDV-FOIQADDNSA-N 0 1 384.432 3.719 20 5 GHBDMN CCCN1CCN(c2ccc(C(=O)Nc3ccc(C)cc3)cc2[N+](=O)[O-])CC1 ZINC000608971411 835738055 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IMCLNXBAXXULIA-BEFAXECRSA-N 0 1 385.464 3.912 20 5 GHBDMN COCC[C@H](C)N[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000101583153 837964433 /nfs/dbraw/zinc/96/44/33/837964433.db2.gz MYZMKQUVFISSTH-SCLBCKFNSA-N 0 1 391.855 3.943 20 5 GHBDMN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000275612584 838011017 /nfs/dbraw/zinc/01/10/17/838011017.db2.gz HGMNMISEFKQEST-NSPYISDASA-N 0 1 397.425 3.584 20 5 GHBDMN CC(C)CCN1Cc2cccc(NC(=O)COc3ccccc3[N+](=O)[O-])c2C1 ZINC000102734130 838201041 /nfs/dbraw/zinc/20/10/41/838201041.db2.gz NVRVFZSUSOJRDT-UHFFFAOYSA-N 0 1 383.448 3.974 20 5 GHBDMN Cc1nc2c(n1[C@@H]1CCN(C(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)C1)CCCC2 ZINC000548007596 838437681 /nfs/dbraw/zinc/43/76/81/838437681.db2.gz FBQZOBIVBXHGBO-CQSZACIVSA-N 0 1 393.447 3.547 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@H](C)c1ccc(F)cc1F ZINC000181576010 838508138 /nfs/dbraw/zinc/50/81/38/838508138.db2.gz RIQJIUJCZSKDBO-LLVKDONJSA-N 0 1 379.363 3.561 20 5 GHBDMN 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ZINC000512553314 844507961 /nfs/dbraw/zinc/50/79/61/844507961.db2.gz BMVSVYYSPVGDEE-CYBMUJFWSA-N 0 1 397.431 3.992 20 5 GHBDMN COCCCCN(C)[C@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000419383534 844566638 /nfs/dbraw/zinc/56/66/38/844566638.db2.gz KVYGTRVKQBMYJQ-FQEVSTJZSA-N 0 1 385.464 3.941 20 5 GHBDMN Cc1cc(CN[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)nc(N2CCCC2)n1 ZINC000417349847 840748014 /nfs/dbraw/zinc/74/80/14/840748014.db2.gz MWHNKBANDRVRDN-HXUWFJFHSA-N 0 1 381.480 3.851 20 5 GHBDMN COCCOC1CCN(Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000124819886 841017573 /nfs/dbraw/zinc/01/75/73/841017573.db2.gz KEJYSWITFGSPEQ-UHFFFAOYSA-N 0 1 399.491 3.990 20 5 GHBDMN CCN1CCN(c2ccc(Cl)cc2NC(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000023139744 842187046 /nfs/dbraw/zinc/18/70/46/842187046.db2.gz PAXFDIIXVYCQLY-UHFFFAOYSA-N 0 1 394.884 3.704 20 5 GHBDMN Cc1cc(C[C@H](C)NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)n[nH]1 ZINC000161900580 861289528 /nfs/dbraw/zinc/28/95/28/861289528.db2.gz YLSUOCZSZBYTJM-ZDUSSCGKSA-N 0 1 379.420 3.731 20 5 GHBDMN C[C@H]1CN(CC(C)(C)O)CCN1c1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000302547322 861298077 /nfs/dbraw/zinc/29/80/77/861298077.db2.gz PGTPPDFHXBVKFP-JTQLQIEISA-N 0 1 395.809 3.548 20 5 GHBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000181889000 843500146 /nfs/dbraw/zinc/50/01/46/843500146.db2.gz BXYMQYXCBKRFGU-HNNXBMFYSA-N 0 1 381.436 3.814 20 5 GHBDMN CC1(C)C[C@H](N[C@@H]2CCN(c3ccccc3F)C2=O)c2cc([N+](=O)[O-])ccc21 ZINC000433286539 843984979 /nfs/dbraw/zinc/98/49/79/843984979.db2.gz OCMHWHOLBJQXDI-MSOLQXFVSA-N 0 1 383.423 3.851 20 5 GHBDMN COC[C@H](C)N(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCc2ccccc21 ZINC000599684250 861525328 /nfs/dbraw/zinc/52/53/28/861525328.db2.gz XJXWIJNUYREGPW-HRAATJIYSA-N 0 1 397.475 3.582 20 5 GHBDMN Cc1ccc(NS(=O)(=O)c2ccc(Br)c(F)c2)cc1[N+](=O)[O-] ZINC000317799091 845016824 /nfs/dbraw/zinc/01/68/24/845016824.db2.gz LPNMGIGDHJMWOK-UHFFFAOYSA-N 0 1 389.202 3.606 20 5 GHBDMN Cc1cnc(NS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)nc1-c1ccccc1 ZINC000433154509 845520999 /nfs/dbraw/zinc/52/09/99/845520999.db2.gz ZQAALIWZALJBIK-UHFFFAOYSA-N 0 1 398.444 3.778 20 5 GHBDMN CC[C@@H](c1ccccc1)N1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC001167504164 845528869 /nfs/dbraw/zinc/52/88/69/845528869.db2.gz JBFXQQSECZLAKV-NRFANRHFSA-N 0 1 396.491 3.611 20 5 GHBDMN CC(C)Oc1ccccc1[C@@H](C)NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000539225229 846015452 /nfs/dbraw/zinc/01/54/52/846015452.db2.gz GTLCWOKAOKKUNR-OAHLLOKOSA-N 0 1 383.448 3.622 20 5 GHBDMN Cc1cccc(NC(=O)[C@@H]2CCCN(C/C=C\c3ccccc3[N+](=O)[O-])C2)n1 ZINC000255021378 846341900 /nfs/dbraw/zinc/34/19/00/846341900.db2.gz WPQNFLGVQZJHHY-JIGZGPPQSA-N 0 1 380.448 3.662 20 5 GHBDMN C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@@H]2C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)o1 ZINC000502967911 846671119 /nfs/dbraw/zinc/67/11/19/846671119.db2.gz FIRXSBWXQAFEGN-KAOXEZKKSA-N 0 1 393.403 3.839 20 5 GHBDMN C[C@@H](N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000478906409 847349456 /nfs/dbraw/zinc/34/94/56/847349456.db2.gz QFFXJJQJKIGRLY-PIGZYNQJSA-N 0 1 377.803 3.843 20 5 GHBDMN Cc1ccc(NS(=O)(=O)c2ccc(F)cc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000135613680 848217730 /nfs/dbraw/zinc/21/77/30/848217730.db2.gz WETNPLOANMJVOB-UHFFFAOYSA-N 0 1 378.303 3.862 20 5 GHBDMN COc1cc(C(=O)Nc2nc(-c3ccc(Cl)cc3)n[nH]2)cc([N+](=O)[O-])c1C ZINC000583238652 849408075 /nfs/dbraw/zinc/40/80/75/849408075.db2.gz SPLMBOBZKPNRRW-UHFFFAOYSA-N 0 1 387.783 3.603 20 5 GHBDMN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](CN(C)C)c1ccc(Cl)c(Cl)c1 ZINC000600470138 862036264 /nfs/dbraw/zinc/03/62/64/862036264.db2.gz GJSJOXHNRWHDKP-INIZCTEOSA-N 0 1 397.262 3.638 20 5 GHBDMN Cc1[nH]nc(C(=O)N2CCCCC[C@@H]2Cc2ccccc2Cl)c1[N+](=O)[O-] ZINC000508448244 862033805 /nfs/dbraw/zinc/03/38/05/862033805.db2.gz HKPWWPRZDVESMB-CQSZACIVSA-N 0 1 376.844 3.907 20 5 GHBDMN CC(C)(CO)[C@@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1cccs1 ZINC000514893802 850423419 /nfs/dbraw/zinc/42/34/19/850423419.db2.gz RPNQSEAHXIMURB-INIZCTEOSA-N 0 1 397.884 3.598 20 5 GHBDMN Cc1ccc(CNCc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)c(=O)n1C ZINC000487161457 850506736 /nfs/dbraw/zinc/50/67/36/850506736.db2.gz QLTBHYRIWVBCQF-UHFFFAOYSA-N 0 1 392.459 3.660 20 5 GHBDMN COCCC1(CN[C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000514957067 850534566 /nfs/dbraw/zinc/53/45/66/850534566.db2.gz MORUNQXPNAERBN-IBGZPJMESA-N 0 1 386.496 3.994 20 5 GHBDMN COc1cc(CN2CC[C@@](O)(C3CC3)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000426525083 850567345 /nfs/dbraw/zinc/56/73/45/850567345.db2.gz RGOJSKBSEPIBIM-QFIPXVFZSA-N 0 1 398.459 3.529 20 5 GHBDMN COc1ccc(-c2csc(CNC(=O)c3cc(O)cc([N+](=O)[O-])c3)c2)cc1 ZINC000506726663 850628774 /nfs/dbraw/zinc/62/87/74/850628774.db2.gz VRDUOJHNTJILTB-UHFFFAOYSA-N 0 1 384.413 3.968 20 5 GHBDMN Cc1[nH]nc(C(=O)N2CCC[C@H]2c2ccc(Br)cc2C)c1[N+](=O)[O-] ZINC000600509643 862155020 /nfs/dbraw/zinc/15/50/20/862155020.db2.gz ROWCWOXUMKBIQU-ZDUSSCGKSA-N 0 1 393.241 3.675 20 5 GHBDMN CCN1CCN(c2ccccc2NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000515286359 850861126 /nfs/dbraw/zinc/86/11/26/850861126.db2.gz UNTWZUDOCZKECL-UHFFFAOYSA-N 0 1 394.431 3.735 20 5 GHBDMN CCN(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000434230888 850910210 /nfs/dbraw/zinc/91/02/10/850910210.db2.gz YGRQYXDLKXNCBP-RDJZCZTQSA-N 0 1 399.495 3.739 20 5 GHBDMN CC(C)(C)N1CCc2nc(NC(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)sc2C1 ZINC000425080606 851123992 /nfs/dbraw/zinc/12/39/92/851123992.db2.gz MYDRYSMVQJIOGA-UHFFFAOYSA-N 0 1 399.476 3.942 20 5 GHBDMN CCCNC(=O)C1(NCc2cc([N+](=O)[O-])ccc2OC(C)C)CCCCC1 ZINC000440401880 851161454 /nfs/dbraw/zinc/16/14/54/851161454.db2.gz PQYLBNYKXFWKMO-UHFFFAOYSA-N 0 1 377.485 3.701 20 5 GHBDMN C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436132382 851241244 /nfs/dbraw/zinc/24/12/44/851241244.db2.gz ASLCXTFYLRKHRF-GJZGRUSLSA-N 0 1 395.478 3.671 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc(Cl)ccc1-n1cccn1 ZINC000515632345 851273459 /nfs/dbraw/zinc/27/34/59/851273459.db2.gz NKKUQTVOOXKRGN-UHFFFAOYSA-N 0 1 392.824 3.543 20 5 GHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000505805337 851543201 /nfs/dbraw/zinc/54/32/01/851543201.db2.gz OYQUBEKLJKQXIL-UHFFFAOYSA-N 0 1 381.363 3.850 20 5 GHBDMN O=[N+]([O-])c1ccn(C2CCN(CCOc3ccc(Cl)cc3Cl)CC2)n1 ZINC000488800254 851780186 /nfs/dbraw/zinc/78/01/86/851780186.db2.gz SEQYQVABHMJMJF-UHFFFAOYSA-N 0 1 385.251 3.814 20 5 GHBDMN C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CCN1Cc1ccccc1 ZINC000383038540 852104967 /nfs/dbraw/zinc/10/49/67/852104967.db2.gz KKUNDVHCWAVXND-OAHLLOKOSA-N 0 1 387.867 3.985 20 5 GHBDMN Cc1ccc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)c(Br)c1 ZINC000425971242 852189800 /nfs/dbraw/zinc/18/98/00/852189800.db2.gz NSSZZSPAZSYXIP-UHFFFAOYSA-N 0 1 379.258 3.699 20 5 GHBDMN C[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1nc2ccc(Cl)cc2[nH]1 ZINC000732540191 862342523 /nfs/dbraw/zinc/34/25/23/862342523.db2.gz CIBMMYQHADSVSO-QMMMGPOBSA-N 0 1 389.755 3.524 20 5 GHBDMN C[C@@H](NC(=O)COc1ccc([N+](=O)[O-])c(F)c1)c1nc2ccc(Cl)cc2[nH]1 ZINC000732545877 862348135 /nfs/dbraw/zinc/34/81/35/862348135.db2.gz ZUJITSIMOZYXOV-SECBINFHSA-N 0 1 392.774 3.520 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000490005095 852700696 /nfs/dbraw/zinc/70/06/96/852700696.db2.gz OPFUZKCQAFEIQJ-RHSMWYFYSA-N 0 1 386.427 3.999 20 5 GHBDMN COc1cc(CN2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000489985870 852708041 /nfs/dbraw/zinc/70/80/41/852708041.db2.gz CDKUDUGYTUJYGG-UHFFFAOYSA-N 0 1 393.447 3.768 20 5 GHBDMN O=C(N[C@H](c1cccc(Cl)c1)c1ccccn1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000507278341 852748719 /nfs/dbraw/zinc/74/87/19/852748719.db2.gz IKDQCFZOJNCZFA-GOSISDBHSA-N 0 1 383.791 3.868 20 5 GHBDMN CN(CCc1cccc2ccccc21)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000507293995 852755322 /nfs/dbraw/zinc/75/53/22/852755322.db2.gz USZFMXBTDULSCI-UHFFFAOYSA-N 0 1 377.444 3.885 20 5 GHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000507289723 852763590 /nfs/dbraw/zinc/76/35/90/852763590.db2.gz HNNQQOZMQWCJLZ-OAHLLOKOSA-N 0 1 376.796 3.637 20 5 GHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000507315994 852775068 /nfs/dbraw/zinc/77/50/68/852775068.db2.gz STGXOOWHBJQCCR-LBPRGKRZSA-N 0 1 387.461 3.656 20 5 GHBDMN Cc1cc(F)cc([C@]2(F)CCN(C(=O)c3[nH]nc4ccc([N+](=O)[O-])cc43)C2)c1 ZINC000506344885 852805852 /nfs/dbraw/zinc/80/58/52/852805852.db2.gz CIIZAGGKJKEXLA-IBGZPJMESA-N 0 1 386.358 3.630 20 5 GHBDMN O=C(Nc1ccc2nc(-c3ccccn3)oc2c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000507370715 852850855 /nfs/dbraw/zinc/85/08/55/852850855.db2.gz PHHMTKPUBUPKHE-UHFFFAOYSA-N 0 1 376.328 3.756 20 5 GHBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000490360521 852980243 /nfs/dbraw/zinc/98/02/43/852980243.db2.gz DFDYQQHSTDXXTD-MNOVXSKESA-N 0 1 383.330 3.687 20 5 GHBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1cc2ccc(Cl)cc2[nH]1 ZINC000490404183 853014650 /nfs/dbraw/zinc/01/46/50/853014650.db2.gz ZSGQVSFTKYYTDR-UHFFFAOYSA-N 0 1 382.767 3.767 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2nc(CNC[C@]3(CO)C[C@@H]3c3ccccc3)cs2)c1 ZINC000519610089 853033234 /nfs/dbraw/zinc/03/32/34/853033234.db2.gz HWAARZCCJBYVBC-CTNGQTDRSA-N 0 1 395.484 3.974 20 5 GHBDMN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc(C[NH+](C)C)c(Cl)c2)cc1C ZINC000481875834 862435195 /nfs/dbraw/zinc/43/51/95/862435195.db2.gz PYRUNCXMNASODQ-UHFFFAOYSA-N 0 1 397.884 3.727 20 5 GHBDMN O=C(N[C@@H](COCc1ccccc1)c1ccccc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000506487038 853299179 /nfs/dbraw/zinc/29/91/79/853299179.db2.gz NFERHMZOAYAWBR-NRFANRHFSA-N 0 1 392.411 3.988 20 5 GHBDMN CCN(C)Cc1cc(O[C@H]2CCN(c3ccc([N+](=O)[O-])cc3Cl)C2)ccn1 ZINC000856534004 881344157 /nfs/dbraw/zinc/34/41/57/881344157.db2.gz BUXHVOIQOQATQS-KRWDZBQOSA-N 0 1 390.871 3.753 20 5 GHBDMN CC(C)OC(=O)c1ccc(NC(=O)[C@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000056196167 854547595 /nfs/dbraw/zinc/54/75/95/854547595.db2.gz BCSUKELDHWZZIK-GJZGRUSLSA-N 0 1 399.447 3.838 20 5 GHBDMN CN(CCCN(C)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])Cc1ccco1 ZINC000553741390 855379151 /nfs/dbraw/zinc/37/91/51/855379151.db2.gz RWAJILVIKQDSOP-UHFFFAOYSA-N 0 1 399.369 3.801 20 5 GHBDMN CSc1cccc(C(=O)N(C)CCCN(C)Cc2ccco2)c1[N+](=O)[O-] ZINC000553741428 855395791 /nfs/dbraw/zinc/39/57/91/855395791.db2.gz UFZMXMIFHNMGRP-UHFFFAOYSA-N 0 1 377.466 3.504 20 5 GHBDMN COC(=O)COc1ccc(CN[C@H](C)c2cc(C)sc2C)cc1[N+](=O)[O-] ZINC000473993540 855646700 /nfs/dbraw/zinc/64/67/00/855646700.db2.gz ISITXRNWZQBEGF-GFCCVEGCSA-N 0 1 378.450 3.676 20 5 GHBDMN CN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273602513 855786779 /nfs/dbraw/zinc/78/67/79/855786779.db2.gz SEBOCQGQYRZUKA-RDTXWAMCSA-N 0 1 398.394 3.603 20 5 GHBDMN COC(=O)COc1ccc(CN[C@@H](C)c2cc3ccccc3o2)cc1[N+](=O)[O-] ZINC000474000747 855879348 /nfs/dbraw/zinc/87/93/48/855879348.db2.gz OBBVUTPKRIVMDP-ZDUSSCGKSA-N 0 1 384.388 3.744 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(C)cc(Br)c1O ZINC000427701733 856608658 /nfs/dbraw/zinc/60/86/58/856608658.db2.gz MVEDBKLSJMOYPQ-UHFFFAOYSA-N 0 1 381.182 3.632 20 5 GHBDMN O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000173085316 856728159 /nfs/dbraw/zinc/72/81/59/856728159.db2.gz ZENKNZOJYKJEDD-IBGZPJMESA-N 0 1 387.867 3.744 20 5 GHBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H](c1ccccc1)C1(CO)CC=CC1 ZINC000592178095 856763452 /nfs/dbraw/zinc/76/34/52/856763452.db2.gz VZCCGSCQZFCWFG-OAQYLSRUSA-N 0 1 395.459 3.501 20 5 GHBDMN COCc1ccccc1S(=O)(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000542927678 856866403 /nfs/dbraw/zinc/86/64/03/856866403.db2.gz CTEMZVIRMGHNQE-UHFFFAOYSA-N 0 1 390.339 3.561 20 5 GHBDMN O=C(N[C@@H](c1c(F)cccc1F)C(F)(F)F)c1cc(O)cc([N+](=O)[O-])c1 ZINC000508082591 856876554 /nfs/dbraw/zinc/87/65/54/856876554.db2.gz TXGOMGHIVCOQGI-ZDUSSCGKSA-N 0 1 376.237 3.612 20 5 GHBDMN Cc1cccc(CN2CCCC[C@H]2C(=O)N(C)CCc2ccccc2[N+](=O)[O-])c1 ZINC001128863649 856883064 /nfs/dbraw/zinc/88/30/64/856883064.db2.gz LOSHILUUESJKSK-QFIPXVFZSA-N 0 1 395.503 3.959 20 5 GHBDMN CC[C@@](C)(NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1nc(C)cs1 ZINC000173376662 856896669 /nfs/dbraw/zinc/89/66/69/856896669.db2.gz NRDUKNJCXSBPSE-CQSZACIVSA-N 0 1 389.886 3.617 20 5 GHBDMN COc1cccc([C@H]2[C@H](NC(=O)c3ccc([N+](=O)[O-])cc3C)CCN2C2CC2)c1 ZINC000245533138 856936876 /nfs/dbraw/zinc/93/68/76/856936876.db2.gz DHLGMJCYJFBENO-RTWAWAEBSA-N 0 1 395.459 3.620 20 5 GHBDMN O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3ccccc3OCC(F)(F)F)C2)nc1 ZINC000173468275 856945877 /nfs/dbraw/zinc/94/58/77/856945877.db2.gz FUGZFIGDLNFKIT-CQSZACIVSA-N 0 1 396.369 3.617 20 5 GHBDMN O=C(NCc1ccnc(Oc2ccc(F)cc2)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000428029466 857038078 /nfs/dbraw/zinc/03/80/78/857038078.db2.gz ARIFMVRYFXLODR-UHFFFAOYSA-N 0 1 383.335 3.557 20 5 GHBDMN O=C(NCc1ccc(Oc2cccc(F)c2)nc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000428047335 857057700 /nfs/dbraw/zinc/05/77/00/857057700.db2.gz IZGQQKWOCSDAID-UHFFFAOYSA-N 0 1 383.335 3.557 20 5 GHBDMN C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC001128960641 857101173 /nfs/dbraw/zinc/10/11/73/857101173.db2.gz CAIHYXNEBXUMFV-OAHLLOKOSA-N 0 1 387.867 3.842 20 5 GHBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H](c2ccccc2)C2(CO)CCCC2)c1 ZINC000593033271 857188090 /nfs/dbraw/zinc/18/80/90/857188090.db2.gz LCXFEGOHFQAQOD-FQEVSTJZSA-N 0 1 398.459 3.765 20 5 GHBDMN Cc1ccc2nc(CNC(=O)c3sc(Br)cc3[N+](=O)[O-])[nH]c2c1 ZINC000485922968 857219682 /nfs/dbraw/zinc/21/96/82/857219682.db2.gz HHCUBKSWWSWISE-UHFFFAOYSA-N 0 1 395.238 3.534 20 5 GHBDMN CCc1cc(NCCCN2C[C@H](C)O[C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000064905593 857327304 /nfs/dbraw/zinc/32/73/04/857327304.db2.gz AYRFMXRHOQRQOP-HOTGVXAUSA-N 0 1 399.495 3.525 20 5 GHBDMN O=[N+]([O-])c1cc(O)cc(-c2nc(-c3ccc(OCc4cccnc4)cc3)no2)c1 ZINC000486111444 857439228 /nfs/dbraw/zinc/43/92/28/857439228.db2.gz VUHCZZGUSUOGFS-UHFFFAOYSA-N 0 1 390.355 3.991 20 5 GHBDMN COc1ccc(NS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)c2cccnc12 ZINC000486627009 857911654 /nfs/dbraw/zinc/91/16/54/857911654.db2.gz SELYFOTTXUESBI-UHFFFAOYSA-N 0 1 387.417 3.569 20 5 GHBDMN C[C@@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccccc1Cl ZINC000486646886 857939884 /nfs/dbraw/zinc/93/98/84/857939884.db2.gz QOYGOMSQXOCFFF-SECBINFHSA-N 0 1 375.233 3.941 20 5 GHBDMN C[C@@H](CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)OC(C)(C)C ZINC000594518978 858207716 /nfs/dbraw/zinc/20/77/16/858207716.db2.gz MQCJPOOTVORLND-LBPRGKRZSA-N 0 1 377.466 3.786 20 5 GHBDMN O=C([O-])[C@@H]1CC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H]2CCCC[C@H]12 ZINC000594733666 858267649 /nfs/dbraw/zinc/26/76/49/858267649.db2.gz BDLLSILEYKEAHK-KURKYZTESA-N 0 1 385.420 3.715 20 5 GHBDMN CCN1CC[C@@H](NCc2csc([N+](=O)[O-])c2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543101262 858362478 /nfs/dbraw/zinc/36/24/78/858362478.db2.gz RYSQQTYWXZFXRT-PBHICJAKSA-N 0 1 385.411 3.999 20 5 GHBDMN O=[N+]([O-])c1cnc2ccc(NC[C@@H](c3cccc(Cl)c3)N3CCCC3)nn21 ZINC000301862414 858369741 /nfs/dbraw/zinc/36/97/41/858369741.db2.gz ALHJQMFDUUEELR-HNNXBMFYSA-N 0 1 386.843 3.540 20 5 GHBDMN Cn1cc([N+](=O)[O-])cc1-c1nc(-c2ccc3[nH]c(-c4cscn4)nc3c2)no1 ZINC000574970233 858477861 /nfs/dbraw/zinc/47/78/61/858477861.db2.gz IDFIUIRXPMDZJR-UHFFFAOYSA-N 0 1 393.388 3.650 20 5 GHBDMN Cc1ccc(-c2n[nH]c(S[C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)n2)cc1 ZINC000067428670 858564674 /nfs/dbraw/zinc/56/46/74/858564674.db2.gz MCLGXZFIEMTJDQ-MRXNPFEDSA-N 0 1 395.444 3.586 20 5 GHBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H]2c3ccccc3CC23CCOCC3)c1 ZINC000593028583 858567538 /nfs/dbraw/zinc/56/75/38/858567538.db2.gz HVXADUSFAMUILJ-HXUWFJFHSA-N 0 1 396.443 3.565 20 5 GHBDMN C[C@@H](N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(OC(F)F)cc1 ZINC000067452193 858573296 /nfs/dbraw/zinc/57/32/96/858573296.db2.gz XAJUVOITPBTTPT-PXAZEXFGSA-N 0 1 391.374 3.652 20 5 GHBDMN COc1cccc([C@@]2(C)CCN(Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)c1 ZINC000595764469 858663441 /nfs/dbraw/zinc/66/34/41/858663441.db2.gz JGOFLBGAZTXWNN-NRFANRHFSA-N 0 1 394.431 3.817 20 5 GHBDMN COc1cccc(C2(NCC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CCC2)c1 ZINC000595863995 858698207 /nfs/dbraw/zinc/69/82/07/858698207.db2.gz ZQJCZNKUYFDKDS-UHFFFAOYSA-N 0 1 389.839 3.864 20 5 GHBDMN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000184918423 858703849 /nfs/dbraw/zinc/70/38/49/858703849.db2.gz HASLWNOCLGEQAV-RDJZCZTQSA-N 0 1 397.479 3.565 20 5 GHBDMN O=[N+]([O-])c1ccc(Nc2ccc(CCN3CCOCC3)cc2)cc1OC(F)F ZINC000301928488 859014332 /nfs/dbraw/zinc/01/43/32/859014332.db2.gz KZMLXZPMPFQLHM-UHFFFAOYSA-N 0 1 393.390 3.815 20 5 GHBDMN COc1ccc(NC(=O)CN[C@@H](C)c2ccc3c(c2)CCCC3)c([N+](=O)[O-])c1 ZINC000499721981 859292291 /nfs/dbraw/zinc/29/22/91/859292291.db2.gz XEZDTPRSJWIHRQ-AWEZNQCLSA-N 0 1 383.448 3.772 20 5 GHBDMN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@H](c1ccco1)N1CCCCC1 ZINC000117573523 859519242 /nfs/dbraw/zinc/51/92/42/859519242.db2.gz JMJKUKPLBNZXBW-QGZVFWFLSA-N 0 1 391.855 3.727 20 5 GHBDMN O=C(N[C@H]1CC[N@H+](C2CC2)C1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000611202207 859648018 /nfs/dbraw/zinc/64/80/18/859648018.db2.gz QECYVCLQMCUILZ-ZDUSSCGKSA-N 0 1 375.494 3.596 20 5 GHBDMN O=C(N[C@H]1CCN(C2CC2)C1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000611202207 859648026 /nfs/dbraw/zinc/64/80/26/859648026.db2.gz QECYVCLQMCUILZ-ZDUSSCGKSA-N 0 1 375.494 3.596 20 5 GHBDMN O=[N+]([O-])c1cc2c(cc1CN1CC[C@H](CSc3ccccc3)C1)OCCO2 ZINC000611274596 859678356 /nfs/dbraw/zinc/67/83/56/859678356.db2.gz KGXJFTOQVZNOMQ-HNNXBMFYSA-N 0 1 386.473 3.980 20 5 GHBDMN CSc1ccc(NC(=O)Cn2cc(Nc3sccc3[N+](=O)[O-])cn2)cc1 ZINC000611413223 859746626 /nfs/dbraw/zinc/74/66/26/859746626.db2.gz XYRLMTXGYNKZJT-UHFFFAOYSA-N 0 1 389.462 3.957 20 5 GHBDMN O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000611488343 859783245 /nfs/dbraw/zinc/78/32/45/859783245.db2.gz MIHOXOZALATELT-CYBMUJFWSA-N 0 1 389.481 3.842 20 5 GHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC=C(c2c(F)cccc2F)CC1 ZINC000474313352 859839612 /nfs/dbraw/zinc/83/96/12/859839612.db2.gz BOWNQYOMRDLMPD-UHFFFAOYSA-N 0 1 384.342 3.679 20 5 GHBDMN COc1ccc(OCCN2CC[C@@H](C(F)(F)F)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000484364401 859973179 /nfs/dbraw/zinc/97/31/79/859973179.db2.gz XAMOYIXCYACSND-OAHLLOKOSA-N 0 1 376.375 3.893 20 5 GHBDMN CCC[C@H](N[C@@H](C)c1cccc(S(=O)(=O)NC)c1)c1cccc([N+](=O)[O-])c1 ZINC000161452095 859980174 /nfs/dbraw/zinc/98/01/74/859980174.db2.gz UXVWACATJUCNQD-LIRRHRJNSA-N 0 1 391.493 3.695 20 5 GHBDMN CCC(=O)N[C@H]1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000092705109 860109023 /nfs/dbraw/zinc/10/90/23/860109023.db2.gz IGVZHUZXMYWXLN-ZDUSSCGKSA-N 0 1 391.855 3.999 20 5 GHBDMN C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1cn(C)c2ccccc12 ZINC000185413001 860111022 /nfs/dbraw/zinc/11/10/22/860111022.db2.gz LCWMGCOGCSKRHX-LBPRGKRZSA-N 0 1 390.403 3.614 20 5 GHBDMN CCOC(=O)C1(CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCC1 ZINC000544365436 860341106 /nfs/dbraw/zinc/34/11/06/860341106.db2.gz JJUOHYDTNMOPJR-UHFFFAOYSA-N 0 1 375.450 3.541 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2ncn(CN3CCC[C@@H](Cc4ccccc4)C3)n2)cc1 ZINC000729984948 860485622 /nfs/dbraw/zinc/48/56/22/860485622.db2.gz BOOPUSYALNXTBZ-SFHVURJKSA-N 0 1 377.448 3.766 20 5 GHBDMN CCN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H](COC)Cc1ccccc1 ZINC000552315069 860507878 /nfs/dbraw/zinc/50/78/78/860507878.db2.gz BTAYLBZTXUECSU-FQEVSTJZSA-N 0 1 386.448 3.541 20 5 GHBDMN Cc1sc(C(=O)NC[C@@H](C(C)C)N2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000025541549 860534809 /nfs/dbraw/zinc/53/48/09/860534809.db2.gz LEOMYMLELORALB-SFHVURJKSA-N 0 1 387.505 3.777 20 5 GHBDMN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@@H]2c2ccc(Cl)cc2)c1 ZINC000603497584 860768904 /nfs/dbraw/zinc/76/89/04/860768904.db2.gz FAPFTGFLDAZSCG-PKOBYXMFSA-N 0 1 376.840 3.825 20 5 GHBDMN CCOc1ccc([C@@H](C)N[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1OC ZINC000603598560 860913514 /nfs/dbraw/zinc/91/35/14/860913514.db2.gz LDBXTQOVDPBLCC-ZIAGYGMSSA-N 0 1 387.436 3.680 20 5 GHBDMN Cc1ccc(C)c(OC2CC[NH+](Cc3cc(C(=O)[O-])ccc3[N+](=O)[O-])CC2)c1 ZINC000593735403 861127696 /nfs/dbraw/zinc/12/76/96/861127696.db2.gz MCNSJHCVOHWNNI-UHFFFAOYSA-N 0 1 384.432 3.953 20 5 GHBDMN COc1ccc(CSCC(=O)Nc2cc3cn[nH]c3cc2C)cc1[N+](=O)[O-] ZINC000481348792 861150053 /nfs/dbraw/zinc/15/00/53/861150053.db2.gz XNWRWBWODZQMPA-UHFFFAOYSA-N 0 1 386.433 3.660 20 5 GHBDMN CO[C@H](c1ccccc1Cl)[C@H](C)NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000481357654 861181572 /nfs/dbraw/zinc/18/15/72/861181572.db2.gz FVIAGXXRZUUOGB-SGTLLEGYSA-N 0 1 377.828 3.553 20 5 GHBDMN CCO[C@@H]1C[C@H](NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)[C@H]1OC ZINC000482519171 863251911 /nfs/dbraw/zinc/25/19/11/863251911.db2.gz PEEOSNMQZUPZER-PWIZWCRZSA-N 0 1 390.411 3.808 20 5 GHBDMN CC[C@@H](N[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1ccccc1F ZINC000594020094 863759988 /nfs/dbraw/zinc/75/99/88/863759988.db2.gz YEQUMYBKPUPTMA-BLLLJJGKSA-N 0 1 375.400 3.810 20 5 GHBDMN O=[N+]([O-])c1c(Br)cccc1NC1CCN(Cc2cccnc2)CC1 ZINC000856746660 881711553 /nfs/dbraw/zinc/71/15/53/881711553.db2.gz UDRGEMSSCPLNKA-UHFFFAOYSA-N 0 1 391.269 3.829 20 5 GHBDMN C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000172905119 864105180 /nfs/dbraw/zinc/10/51/80/864105180.db2.gz DCZQPHKYNICZLB-RHSMWYFYSA-N 0 1 381.411 3.828 20 5 GHBDMN O=[N+]([O-])c1cn(CN2CC[C@@H](Cc3ccc(F)cc3)C2)nc1-c1ccncc1 ZINC000172905068 864105446 /nfs/dbraw/zinc/10/54/46/864105446.db2.gz YJXJWGXLAQYALB-INIZCTEOSA-N 0 1 381.411 3.515 20 5 GHBDMN O=C(Nc1ccc2nc(-c3ccccc3Cl)[nH]c2c1)c1n[nH]cc1[N+](=O)[O-] ZINC000137476034 864215847 /nfs/dbraw/zinc/21/58/47/864215847.db2.gz JDJXTKGLAPASIX-UHFFFAOYSA-N 0 1 382.767 3.767 20 5 GHBDMN CC(C)CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CCCc2cccnc21 ZINC000127104769 864329905 /nfs/dbraw/zinc/32/99/05/864329905.db2.gz WCWYZAVNWOAEJK-SFHVURJKSA-N 0 1 382.464 3.624 20 5 GHBDMN CC(C)[C@H](NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000792876052 881764162 /nfs/dbraw/zinc/76/41/62/881764162.db2.gz KMVMEAVMVSCODC-IBGZPJMESA-N 0 1 387.392 3.761 20 5 GHBDMN CC(C)(C)OC(=O)NC[C@H](NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)(C)C ZINC000792880473 881767501 /nfs/dbraw/zinc/76/75/01/881767501.db2.gz FHOGSHBDUBRHMV-HNNXBMFYSA-N 0 1 396.444 3.532 20 5 GHBDMN CCN1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C[C@H]1c1ncc[nH]1 ZINC000475349756 864826629 /nfs/dbraw/zinc/82/66/29/864826629.db2.gz IKMNZAMMJOBICQ-SFHVURJKSA-N 0 1 397.504 3.925 20 5 GHBDMN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000843804426 865141241 /nfs/dbraw/zinc/14/12/41/865141241.db2.gz YPVSQBCEEPHRBP-OAHLLOKOSA-N 0 1 385.439 3.779 20 5 GHBDMN C[C@@H](NCCCOc1ccc([N+](=O)[O-])cc1)c1nc(-c2cccc(F)c2)no1 ZINC000185074379 865147835 /nfs/dbraw/zinc/14/78/35/865147835.db2.gz JMHKVWGXFMJVTO-CYBMUJFWSA-N 0 1 386.383 3.904 20 5 GHBDMN CCCc1[nH]nc(C(=O)N(CC)Cc2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-] ZINC000737790421 865437783 /nfs/dbraw/zinc/43/77/83/865437783.db2.gz NDAUTBQSOVJQHI-UHFFFAOYSA-N 0 1 384.358 3.952 20 5 GHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000456718473 867056675 /nfs/dbraw/zinc/05/66/75/867056675.db2.gz YKKPXBHQXMVWKK-KRWDZBQOSA-N 0 1 390.403 3.715 20 5 GHBDMN CCCc1[nH]nc(C(=O)N2CCC(Cc3cccc(F)c3F)CC2)c1[N+](=O)[O-] ZINC000456805027 867198851 /nfs/dbraw/zinc/19/88/51/867198851.db2.gz BEWVDCPJMRLUIT-UHFFFAOYSA-N 0 1 392.406 3.644 20 5 GHBDMN O=C(NC[C@@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1)OCc1ccccc1 ZINC000793293633 882071204 /nfs/dbraw/zinc/07/12/04/882071204.db2.gz BVDDMHBIIVKSEH-SFHVURJKSA-N 0 1 383.448 3.733 20 5 GHBDMN CC(C)N1CC[C@@H](N(C)C(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000457085953 867635436 /nfs/dbraw/zinc/63/54/36/867635436.db2.gz ICFHVQMKUHOXQW-CQSZACIVSA-N 0 1 399.441 3.514 20 5 GHBDMN COc1ccc(NC(=O)CN[C@@H](C)c2ccccc2SC)c([N+](=O)[O-])c1 ZINC000440637890 867677204 /nfs/dbraw/zinc/67/72/04/867677204.db2.gz PAIJBTQGQLUHNT-LBPRGKRZSA-N 0 1 375.450 3.615 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2nc(CNCCOc3ncccc3Cl)cs2)c1 ZINC000152071493 867787448 /nfs/dbraw/zinc/78/74/48/867787448.db2.gz DOTWWGGAKAOPLZ-UHFFFAOYSA-N 0 1 390.852 3.935 20 5 GHBDMN CNC(=O)c1ccc(N2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)c([N+](=O)[O-])c1 ZINC000442739762 868577465 /nfs/dbraw/zinc/57/74/65/868577465.db2.gz RDQFBXMLGHMVTN-MRXNPFEDSA-N 0 1 399.838 3.826 20 5 GHBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)C1CC(c2cccc(F)c2)C1 ZINC000524192097 868715057 /nfs/dbraw/zinc/71/50/57/868715057.db2.gz SMHRQNIMRNUQAS-UHFFFAOYSA-N 0 1 381.367 3.651 20 5 GHBDMN C[C@H](CN(C)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)OC(C)(C)C ZINC000459812017 869063157 /nfs/dbraw/zinc/06/31/57/869063157.db2.gz RKPGUFIPAZRKGI-CHWSQXEVSA-N 0 1 390.440 3.615 20 5 GHBDMN C[C@@H]1C[C@H]1N1C[C@@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1=O ZINC000539515703 869265300 /nfs/dbraw/zinc/26/53/00/869265300.db2.gz VZNIEXZANVCUTP-BWACUDIHSA-N 0 1 389.839 3.607 20 5 GHBDMN COc1cc(OC)cc(N2CCCN(C/C=C/c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000539863647 869915235 /nfs/dbraw/zinc/91/52/35/869915235.db2.gz MYPJIGVMFSQYPB-VMPITWQZSA-N 0 1 397.475 3.838 20 5 GHBDMN CNc1c(C(=O)Nc2ccc3nc([C@@H]4CCCO4)[nH]c3c2)cccc1[N+](=O)[O-] ZINC000462781790 870058843 /nfs/dbraw/zinc/05/88/43/870058843.db2.gz SUSQDHVBEIRQGW-INIZCTEOSA-N 0 1 381.392 3.617 20 5 GHBDMN C[C@H](NCC(=O)NCc1ccccc1OC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000540376066 871107351 /nfs/dbraw/zinc/10/73/51/871107351.db2.gz AQUJACIOPZHWCI-INIZCTEOSA-N 0 1 397.475 3.883 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2nc(-c3ccc4[nH]c(-c5cscn5)nc4c3)no2)[nH]1 ZINC000463186533 871121293 /nfs/dbraw/zinc/12/12/93/871121293.db2.gz UZEXSQQLKSDBPL-UHFFFAOYSA-N 0 1 379.361 3.640 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2cnc(CCN3CCO[C@H](Cc4ccccc4)C3)o2)c1 ZINC000181539416 871142644 /nfs/dbraw/zinc/14/26/44/871142644.db2.gz SKPIUPZOCQZLCC-HXUWFJFHSA-N 0 1 393.443 3.736 20 5 GHBDMN CCc1[nH]nc(C(=O)N2CCC[C@H]2c2ccccc2Br)c1[N+](=O)[O-] ZINC000618229276 871434819 /nfs/dbraw/zinc/43/48/19/871434819.db2.gz HCLNZKAKODOLJD-ZDUSSCGKSA-N 0 1 393.241 3.620 20 5 GHBDMN CCOc1ccc(NC(=O)CCN(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000441254684 871575765 /nfs/dbraw/zinc/57/57/65/871575765.db2.gz CLYRQYYURAQYHV-UHFFFAOYSA-N 0 1 383.448 3.987 20 5 GHBDMN COCCSc1ccc([C@H](C)NCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000539306502 871702767 /nfs/dbraw/zinc/70/27/67/871702767.db2.gz GHQQHVUXUFESQZ-AWEZNQCLSA-N 0 1 389.477 3.623 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2nc(-c3ccn4cncc4c3)no2)c(Br)c1 ZINC000447948803 872551116 /nfs/dbraw/zinc/55/11/16/872551116.db2.gz RKNIIZHQZFIONO-UHFFFAOYSA-N 0 1 386.165 3.722 20 5 GHBDMN O=C(Nc1ccc2nc(-c3ccccc3Cl)[nH]c2c1)c1cc([N+](=O)[O-])n[nH]1 ZINC000552402255 872618767 /nfs/dbraw/zinc/61/87/67/872618767.db2.gz QUMNRRILUAEIOV-UHFFFAOYSA-N 0 1 382.767 3.767 20 5 GHBDMN COc1ccc(NC(=O)[C@H](C)N[C@@H](C)c2cc(C)sc2C)c([N+](=O)[O-])c1 ZINC000182756474 872754901 /nfs/dbraw/zinc/75/49/01/872754901.db2.gz OBEJSJLRWBPODF-RYUDHWBXSA-N 0 1 377.466 3.960 20 5 GHBDMN COC(=O)COc1ccc([C@H](C)NCc2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000767875085 872928135 /nfs/dbraw/zinc/92/81/35/872928135.db2.gz JLCNPDIUIPNPDF-LBPRGKRZSA-N 0 1 378.812 3.651 20 5 GHBDMN CCN(CCNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)CCC(F)(F)F ZINC000494637404 882736840 /nfs/dbraw/zinc/73/68/40/882736840.db2.gz OHSVQHTZMFDAJY-UHFFFAOYSA-N 0 1 376.379 3.607 20 5 GHBDMN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(Oc3ccccn3)cc2)cs1 ZINC000768881110 873643510 /nfs/dbraw/zinc/64/35/10/873643510.db2.gz KKOWGAMWIRFNAA-UHFFFAOYSA-N 0 1 377.403 3.644 20 5 GHBDMN CC(C)(C)OC(=O)N[C@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000769060744 873792520 /nfs/dbraw/zinc/79/25/20/873792520.db2.gz AEQSNJQOYVOSPI-HNNXBMFYSA-N 0 1 387.436 3.954 20 5 GHBDMN CN(CCOC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)Cc1ccc(F)cc1 ZINC000769133770 873832973 /nfs/dbraw/zinc/83/29/73/873832973.db2.gz VADPJAHQZNYEFZ-UHFFFAOYSA-N 0 1 398.337 3.624 20 5 GHBDMN Cc1ccc(C)n1C1CCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)CC1 ZINC000448832446 874039461 /nfs/dbraw/zinc/03/94/61/874039461.db2.gz DOCGKHZIXSNYAP-UHFFFAOYSA-N 0 1 393.447 3.881 20 5 GHBDMN Cc1ccc(CCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1Cl ZINC000609135967 874235236 /nfs/dbraw/zinc/23/52/36/874235236.db2.gz QUONXJBLDDIEEY-UHFFFAOYSA-N 0 1 385.811 3.913 20 5 GHBDMN Cc1nc2c(s1)[C@@H](N(C)C(=O)c1cc(-c3ccc([N+](=O)[O-])cc3)[nH]n1)CCC2 ZINC000448958745 874286173 /nfs/dbraw/zinc/28/61/73/874286173.db2.gz ADOBSTTWDXBHLF-KRWDZBQOSA-N 0 1 397.460 3.899 20 5 GHBDMN CC[C@H]1CCCCN1C(=O)[C@@H](C)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464782986 874485821 /nfs/dbraw/zinc/48/58/21/874485821.db2.gz DOSORRGGZZJATH-SJORKVTESA-N 0 1 389.496 3.618 20 5 GHBDMN CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CCCC[C@@H]2CCO)cc1OC ZINC000541985234 874673259 /nfs/dbraw/zinc/67/32/59/874673259.db2.gz XSZICPJCHWRCRP-NVXWUHKLSA-N 0 1 380.485 3.765 20 5 GHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCO[C@@H](c2ccccc2C(F)(F)F)C1 ZINC000541979519 874693941 /nfs/dbraw/zinc/69/39/41/874693941.db2.gz VSSQBYAYGRAOAS-MRXNPFEDSA-N 0 1 396.321 3.533 20 5 GHBDMN COC(=O)c1cc(C)nc(N[C@@H](C)c2nc3ccc(Cl)cc3[nH]2)c1[N+](=O)[O-] ZINC000804447530 882892749 /nfs/dbraw/zinc/89/27/49/882892749.db2.gz FSXIQXLEMZXSPW-VIFPVBQESA-N 0 1 389.799 3.788 20 5 GHBDMN CC[C@H](NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)C(=O)NC ZINC000449782992 875388216 /nfs/dbraw/zinc/38/82/16/875388216.db2.gz ZMJQNNFHJJLZIE-AWEZNQCLSA-N 0 1 377.828 3.655 20 5 GHBDMN Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)OCCOc1cccc([N+](=O)[O-])c1 ZINC000772110948 875701260 /nfs/dbraw/zinc/70/12/60/875701260.db2.gz UYNXEEJIYZDDAC-UHFFFAOYSA-N 0 1 381.388 3.838 20 5 GHBDMN COc1cc(OC)cc(N2CCCN(Cc3ccc(C)c([N+](=O)[O-])c3)CC2)c1 ZINC000537659501 883006668 /nfs/dbraw/zinc/00/66/68/883006668.db2.gz VQZVUUUNCNQFDJ-UHFFFAOYSA-N 0 1 385.464 3.633 20 5 GHBDMN Cc1cc(C(F)(F)F)ccc1CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000466755613 877064559 /nfs/dbraw/zinc/06/45/59/877064559.db2.gz ZWVXGKOMWIGCHS-UHFFFAOYSA-N 0 1 392.330 3.540 20 5 GHBDMN CCOC(=O)c1ccnc(Sc2nc3ccc(Cl)cc3[nH]2)c1[N+](=O)[O-] ZINC000609960818 877217839 /nfs/dbraw/zinc/21/78/39/877217839.db2.gz SBRDGRUIAKJECJ-UHFFFAOYSA-N 0 1 378.797 3.847 20 5 GHBDMN Cc1ccc(NC(=O)NC(=O)[C@@H](C)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000451107872 877370483 /nfs/dbraw/zinc/37/04/83/877370483.db2.gz UHVJXZDIUFAPAM-LSDHHAIUSA-N 0 1 384.436 3.599 20 5 GHBDMN CC(C)(NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1Br ZINC000776605887 878488753 /nfs/dbraw/zinc/48/87/53/878488753.db2.gz QWNKSBUVTGPOBK-MRXNPFEDSA-N 0 1 379.254 3.916 20 5 GHBDMN C[C@H](NC(=O)NC[C@H](c1ccc(Cl)cc1)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000530839796 878585909 /nfs/dbraw/zinc/58/59/09/878585909.db2.gz YUMCIQYUUDSZGS-SCLBCKFNSA-N 0 1 390.871 3.911 20 5 GHBDMN C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761516107 879217848 /nfs/dbraw/zinc/21/78/48/879217848.db2.gz YYLOJNVXQPVIGI-JSGCOSHPSA-N 0 1 383.876 3.983 20 5 GHBDMN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000761534035 879244438 /nfs/dbraw/zinc/24/44/38/879244438.db2.gz YZAJBFFNZLVLCY-GXTWGEPZSA-N 0 1 383.876 3.983 20 5 GHBDMN C[C@@H](NC(=O)OC(C)(C)C)C1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000790080945 879423571 /nfs/dbraw/zinc/42/35/71/879423571.db2.gz QQEKROMYXMEIQH-CYBMUJFWSA-N 0 1 381.448 3.859 20 5 GHBDMN CCc1ccc(C(=O)N2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)cc1[N+](=O)[O-] ZINC000152719365 879626481 /nfs/dbraw/zinc/62/64/81/879626481.db2.gz KKLBQWXTTAATBM-KRWDZBQOSA-N 0 1 391.431 3.920 20 5 GHBDMN CCc1ccc(C(=O)N2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)cc1[N+](=O)[O-] ZINC000152719365 879626495 /nfs/dbraw/zinc/62/64/95/879626495.db2.gz KKLBQWXTTAATBM-KRWDZBQOSA-N 0 1 391.431 3.920 20 5 GHBDMN Cc1cc([N+](=O)[O-])c(F)c(C(=O)NC[C@H](c2ccccc2)N2CCCC2)c1F ZINC000854308791 879710287 /nfs/dbraw/zinc/71/02/87/879710287.db2.gz HSVXVTUZTSQATD-MRXNPFEDSA-N 0 1 389.402 3.748 20 5 GHBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCc1ccc(Cl)cc1Cl ZINC000520155827 879906306 /nfs/dbraw/zinc/90/63/06/879906306.db2.gz ZPOWXSQCEOAJJP-UHFFFAOYSA-N 0 1 379.196 3.519 20 5 GHBDMN Cc1cc([N+](=O)[O-])cc(C(=O)Nc2nc3ccc(Br)cc3[nH]2)c1F ZINC000790795538 880005331 /nfs/dbraw/zinc/00/53/31/880005331.db2.gz FFSBXPGYWMLWJD-UHFFFAOYSA-N 0 1 393.172 3.933 20 5 GHBDMN CCCn1ncc(NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)c1C1CC1 ZINC000452999857 880296557 /nfs/dbraw/zinc/29/65/57/880296557.db2.gz WHUPOLIDEUBFNO-UHFFFAOYSA-N 0 1 380.408 3.721 20 5 GHBDMN O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000520229891 880376240 /nfs/dbraw/zinc/37/62/40/880376240.db2.gz WOIBGYVFFYQCOS-UHFFFAOYSA-N 0 1 395.394 3.539 20 5 GHBDMN CCN(CC)[C@H](CNC(=O)c1ccc(N)c([N+](=O)[O-])c1)c1ccccc1Cl ZINC000010138460 880395095 /nfs/dbraw/zinc/39/50/95/880395095.db2.gz YVGNEQXOOGVWST-GOSISDBHSA-N 0 1 390.871 3.643 20 5 GHBDMN O=C(Nc1ccccc1-c1nc(-c2ccccc2)n[nH]1)c1ccc([N+](=O)[O-])cn1 ZINC000531877962 880669979 /nfs/dbraw/zinc/66/99/79/880669979.db2.gz QDKVZBDWUVCWEO-UHFFFAOYSA-N 0 1 386.371 3.694 20 5 GHBDMN CCn1cc([C@@H](O)CN(Cc2ccccc2)Cc2ccc([N+](=O)[O-])cc2C)cn1 ZINC000792189183 880978204 /nfs/dbraw/zinc/97/82/04/880978204.db2.gz RBRYJUWHWJJAOJ-QFIPXVFZSA-N 0 1 394.475 3.855 20 5 GHBDMN CCc1ccc(CN2CCN(c3ccc([N+](=O)[O-])cc3COC)CC2)s1 ZINC000747222902 883465696 /nfs/dbraw/zinc/46/56/96/883465696.db2.gz HYEIRTSIEXBWCW-UHFFFAOYSA-N 0 1 375.494 3.687 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2noc(CN(CCc3ccc(F)cc3)C3CC3)n2)c1 ZINC000609744357 883601132 /nfs/dbraw/zinc/60/11/32/883601132.db2.gz FPUKTYPHZNYMKP-UHFFFAOYSA-N 0 1 382.395 3.991 20 5 GHBDMN O=C(CSc1nc(C=Cc2ccccc2)n[nH]1)Nc1cc([N+](=O)[O-])ccc1F ZINC000012834641 883839183 /nfs/dbraw/zinc/83/91/83/883839183.db2.gz QLRNEAXIOFVKQC-RMKNXTFCSA-N 0 1 399.407 3.753 20 5 GHBDMN Cc1ccccc1CN(Cc1ccccn1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000476232296 884285846 /nfs/dbraw/zinc/28/58/46/884285846.db2.gz XHWGVPWVULDQPC-UHFFFAOYSA-N 0 1 377.400 3.846 20 5 GHBDMN Cc1cc(-c2noc(-c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)n2)cc2nc[nH]c21 ZINC000762174230 885563290 /nfs/dbraw/zinc/56/32/90/885563290.db2.gz OAPCVWAREXXGQG-UHFFFAOYSA-N 0 1 387.359 3.682 20 5 GHBDMN C[C@@H](Cc1ccc(Cl)cc1)N(C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000532575739 886158695 /nfs/dbraw/zinc/15/86/95/886158695.db2.gz JRSSFCBGBLFPKU-AWEZNQCLSA-N 0 1 375.856 3.774 20 5 GHBDMN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1nc(-c2ccc(C(C)(C)C)cc2)n[nH]1 ZINC000192577714 886682904 /nfs/dbraw/zinc/68/29/04/886682904.db2.gz PSCKOJSYKGDIMR-UHFFFAOYSA-N 0 1 380.408 3.633 20 5 GHBDMN CC(C)c1ccc(CN(C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cc1[N+](=O)[O-] ZINC000119473587 886725031 /nfs/dbraw/zinc/72/50/31/886725031.db2.gz ZNPYRONITCMGJL-AWEZNQCLSA-N 0 1 391.493 3.559 20 5 GHBDMN COCc1cccc(CNCc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])c1 ZINC000272371098 887324989 /nfs/dbraw/zinc/32/49/89/887324989.db2.gz GNJWUOZYCWZAEP-UHFFFAOYSA-N 0 1 396.390 3.684 20 5 GHBDMN C[C@H](NCc1c(F)cc([N+](=O)[O-])cc1F)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000795988002 913136547 /nfs/dbraw/zinc/13/65/47/913136547.db2.gz FUSZHEGUZDZZPQ-STQMWFEESA-N 0 1 399.438 3.998 20 5 GHBDMN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)c1 ZINC000194185696 888102548 /nfs/dbraw/zinc/10/25/48/888102548.db2.gz CKQZZXOINCQIFN-UHFFFAOYSA-N 0 1 389.364 3.722 20 5 GHBDMN CN1CC[C@H](NCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H]1c1ccc(Cl)cc1 ZINC000810059859 888107925 /nfs/dbraw/zinc/10/79/25/888107925.db2.gz CPGJQHJZUOFIMG-WMZOPIPTSA-N 0 1 390.827 3.691 20 5 GHBDMN CCCC[C@@](C)(F)C(=O)N(C)c1cc([N+](=O)[O-])cc(N2CCN(CC)CC2)c1 ZINC001132279835 888530899 /nfs/dbraw/zinc/53/08/99/888530899.db2.gz TYXJOUZTKGVFDB-HXUWFJFHSA-N 0 1 394.491 3.618 20 5 GHBDMN O=[N+]([O-])c1cccc([C@H](NC[C@@H]2CC3(CO2)CCOCC3)c2ccccc2)c1 ZINC000866532219 888921225 /nfs/dbraw/zinc/92/12/25/888921225.db2.gz LMBYOMJXNYVMJK-LEWJYISDSA-N 0 1 382.460 3.860 20 5 GHBDMN O=C(NC1CCN(Cc2ccccn2)CC1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000053990389 888943914 /nfs/dbraw/zinc/94/39/14/888943914.db2.gz LOFGUGUMDVFZIE-UHFFFAOYSA-N 0 1 396.472 3.599 20 5 GHBDMN Cc1cc(S(=O)(=O)Nc2ccc3oc(C4CC4)nc3c2)cc([N+](=O)[O-])c1F ZINC000154268549 890920446 /nfs/dbraw/zinc/92/04/46/890920446.db2.gz GMTIONURDGJHCV-UHFFFAOYSA-N 0 1 391.380 3.862 20 5 GHBDMN CCN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812848558 891039945 /nfs/dbraw/zinc/03/99/45/891039945.db2.gz KWSQXPJXPKCNSQ-IFXJQAMLSA-N 0 1 382.420 3.589 20 5 GHBDMN CC[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1nc(-c2ccccc2)c[nH]1 ZINC000067684207 891655674 /nfs/dbraw/zinc/65/56/74/891655674.db2.gz HYSVKQGUZBDSTM-HNNXBMFYSA-N 0 1 390.403 3.742 20 5 GHBDMN COc1ccc(-c2ccc(CNCc3ccc4c(c3)OCO4)o2)c([N+](=O)[O-])c1 ZINC000237421423 891700976 /nfs/dbraw/zinc/70/09/76/891700976.db2.gz ITPUDKYFORMECC-UHFFFAOYSA-N 0 1 382.372 3.882 20 5 GHBDMN COc1ccc(-c2ccc(CN[C@H]3CCCc4c3cnn4C)o2)c([N+](=O)[O-])c1 ZINC000237426681 891737896 /nfs/dbraw/zinc/73/78/96/891737896.db2.gz PYKBBGUUAFEWHP-KRWDZBQOSA-N 0 1 382.420 3.764 20 5 GHBDMN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000125455444 892666382 /nfs/dbraw/zinc/66/63/82/892666382.db2.gz CTKRDRPOBZEXBO-UHFFFAOYSA-N 0 1 385.785 3.574 20 5 GHBDMN CCC[C@@H](NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])c1ccccn1 ZINC000815010335 893336292 /nfs/dbraw/zinc/33/62/92/893336292.db2.gz TYMVPYMLVKWRMX-CYBMUJFWSA-N 0 1 387.820 3.602 20 5 GHBDMN CN(C)[C@H](CNC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC001137123103 893732359 /nfs/dbraw/zinc/73/23/59/893732359.db2.gz FNYDJZALLRLLRD-QGZVFWFLSA-N 0 1 396.274 3.863 20 5 GHBDMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000536774254 893782314 /nfs/dbraw/zinc/78/23/14/893782314.db2.gz XTIRTMSJXTXMGC-UHFFFAOYSA-N 0 1 387.346 3.999 20 5 GHBDMN COc1ccccc1C[C@@H]1CCC[N@H+]1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878016265 893949580 /nfs/dbraw/zinc/94/95/80/893949580.db2.gz KVVZBXASDWNEEP-INIZCTEOSA-N 0 1 394.431 3.861 20 5 GHBDMN COc1ccccc1C[C@@H]1CCCN1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878016265 893949590 /nfs/dbraw/zinc/94/95/90/893949590.db2.gz KVVZBXASDWNEEP-INIZCTEOSA-N 0 1 394.431 3.861 20 5 GHBDMN COc1ccc(NC(=O)CN[C@H](c2ccc(F)c(C)c2)C2CC2)c([N+](=O)[O-])c1 ZINC000537224614 894599288 /nfs/dbraw/zinc/59/92/88/894599288.db2.gz NBMXYIXGWPOLAJ-FQEVSTJZSA-N 0 1 387.411 3.730 20 5 GHBDMN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000537286117 894705109 /nfs/dbraw/zinc/70/51/09/894705109.db2.gz FOEXKVYVQVLVTF-QGZVFWFLSA-N 0 1 397.475 3.730 20 5 GHBDMN Nc1ccc(C(=O)N[C@H](c2ccccc2)c2ccc3nc[nH]c3c2)cc1[N+](=O)[O-] ZINC000023388887 895119512 /nfs/dbraw/zinc/11/95/12/895119512.db2.gz OGXCLNSPKRSEIU-HXUWFJFHSA-N 0 1 387.399 3.573 20 5 GHBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H](C)c1ccc(C(F)(F)F)nc1 ZINC000880102227 895513962 /nfs/dbraw/zinc/51/39/62/895513962.db2.gz VHVYQRDOHZZQFK-NSHDSACASA-N 0 1 382.342 3.606 20 5 GHBDMN COC(=O)COc1ccc(CNCc2ccc(C(C)(F)F)cc2)cc1[N+](=O)[O-] ZINC000565543866 895713383 /nfs/dbraw/zinc/71/33/83/895713383.db2.gz ODQKNPMWPLXZMT-UHFFFAOYSA-N 0 1 394.374 3.548 20 5 GHBDMN CN1CC[C@H](NCc2nc3cc([N+](=O)[O-])ccc3o2)[C@H]1c1ccc(F)c(F)c1 ZINC000289410292 914174751 /nfs/dbraw/zinc/17/47/51/914174751.db2.gz PFSWJJQFGNQGOK-HNAYVOBHSA-N 0 1 388.374 3.549 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2nc(Cl)sc2c1 ZINC000821097369 897742571 /nfs/dbraw/zinc/74/25/71/897742571.db2.gz SEEWBFCKHOCGCB-UHFFFAOYSA-N 0 1 383.838 3.967 20 5 GHBDMN COc1cc(Cn2c(C)nc3c2CCCC3)c([N+](=O)[O-])cc1OCC(F)F ZINC000568664961 898018762 /nfs/dbraw/zinc/01/87/62/898018762.db2.gz YMLURNFIUHEORA-UHFFFAOYSA-N 0 1 381.379 3.679 20 5 GHBDMN O=C(Nc1nc(-c2ccc[nH]2)cs1)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001136616531 898569732 /nfs/dbraw/zinc/56/97/32/898569732.db2.gz VYDGCIMLCWXPFI-UHFFFAOYSA-N 0 1 380.389 3.689 20 5 GHBDMN O=[N+]([O-])c1ccc(Cl)cc1OS(=O)(=O)c1c[nH]c2ncc(Cl)cc21 ZINC001186038111 914266375 /nfs/dbraw/zinc/26/63/75/914266375.db2.gz XXVBHLBBGYXGTQ-UHFFFAOYSA-N 0 1 388.188 3.546 20 5 GHBDMN CC(C)(CCC(=O)NCC1CCN(Cc2ccccc2Cl)CC1)[N+](=O)[O-] ZINC000823161186 898882776 /nfs/dbraw/zinc/88/27/76/898882776.db2.gz BCLUOLGPDMMCHL-UHFFFAOYSA-N 0 1 381.904 3.504 20 5 GHBDMN Cc1[nH]nc(C(=O)N2CCC[C@H]2c2ccc(Br)c(F)c2)c1[N+](=O)[O-] ZINC000331465558 898914597 /nfs/dbraw/zinc/91/45/97/898914597.db2.gz AZKWIWZKCCLFCA-LBPRGKRZSA-N 0 1 397.204 3.505 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N2C[C@H](c3cccc(Cl)c3)OC[C@@H]2C)c1[N+](=O)[O-] ZINC000331670769 899072599 /nfs/dbraw/zinc/07/25/99/899072599.db2.gz YUFWDPXCZYJVMT-SMDDNHRTSA-N 0 1 392.843 3.697 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@H](c1ncccc1C)C(C)C ZINC000118841082 899481592 /nfs/dbraw/zinc/48/15/92/899481592.db2.gz HLUOOVXXPJRNAU-KSSFIOAISA-N 0 1 386.452 3.621 20 5 GHBDMN CC(C)c1ccc(CN2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000824827955 899851162 /nfs/dbraw/zinc/85/11/62/899851162.db2.gz JYHQZTOBPTVJHX-LSDHHAIUSA-N 0 1 399.413 3.561 20 5 GHBDMN O=C(NCCc1cccs1)C1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000092644455 901504013 /nfs/dbraw/zinc/50/40/13/901504013.db2.gz LECCKPPPZRBYRN-ZZXKWVIFSA-N 0 1 399.516 3.740 20 5 GHBDMN Cc1ccc(S(=O)(=O)Nc2ccc(Br)cc2F)c([N+](=O)[O-])c1 ZINC000158545056 901706441 /nfs/dbraw/zinc/70/64/41/901706441.db2.gz KPAINEHEZYBAIB-UHFFFAOYSA-N 0 1 389.202 3.606 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000577814034 903228106 /nfs/dbraw/zinc/22/81/06/903228106.db2.gz LYVCKCBKAXZJLR-LBPRGKRZSA-N 0 1 382.869 3.811 20 5 GHBDMN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000132672615 903293005 /nfs/dbraw/zinc/29/30/05/903293005.db2.gz ZQVVRICTJAGDIF-NSHDSACASA-N 0 1 390.831 3.655 20 5 GHBDMN CN(Cc1nc2ccc(C(F)(F)F)cc2[nH]1)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC001147018256 903668846 /nfs/dbraw/zinc/66/88/46/903668846.db2.gz SLQYMQDKIBSWPY-UHFFFAOYSA-N 0 1 396.300 3.901 20 5 GHBDMN COc1ccccc1C[C@@H](C)N(C)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC001148533657 904102014 /nfs/dbraw/zinc/10/20/14/904102014.db2.gz GGZWNFIWOLHLMM-CQSZACIVSA-N 0 1 394.431 3.697 20 5 GHBDMN CC(C)(C)c1nnc(CNC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)s1 ZINC000773039442 904394631 /nfs/dbraw/zinc/39/46/31/904394631.db2.gz GWPJXXJFZSBIIE-UHFFFAOYSA-N 0 1 375.498 3.502 20 5 GHBDMN Cn1cc(CN2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000290905311 914864545 /nfs/dbraw/zinc/86/45/45/914864545.db2.gz MLLNAOUOZTVWJB-AZUAARDMSA-N 0 1 382.464 3.529 20 5 GHBDMN C[C@@]1(F)CCN(C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C[C@H]1F ZINC001173010061 906087413 /nfs/dbraw/zinc/08/74/13/906087413.db2.gz LOGCYACDPDAKEY-NVXWUHKLSA-N 0 1 375.366 3.614 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CCC(n3nccc3C)CC2)c1F ZINC001173194014 906280052 /nfs/dbraw/zinc/28/00/52/906280052.db2.gz WOCQNTXZLYUSDE-AWEZNQCLSA-N 0 1 376.432 3.516 20 5 GHBDMN CCOC[C@H]1CN([C@H](C)Cc2ccc([N+](=O)[O-])cc2)Cc2cnn(CC3CC3)c21 ZINC001173223220 906303380 /nfs/dbraw/zinc/30/33/80/906303380.db2.gz AHDCJDCUHRPOAL-OXQOHEQNSA-N 0 1 398.507 3.768 20 5 GHBDMN CCOC[C@H]1CN([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)Cc2cn(CC3CC3)nc21 ZINC001173224751 906307320 /nfs/dbraw/zinc/30/73/20/906307320.db2.gz LARZNOPYYXXTCU-OXJNMPFZSA-N 0 1 398.507 3.768 20 5 GHBDMN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCN(c2ncccc2C(F)(F)F)CC1 ZINC001173229002 906313008 /nfs/dbraw/zinc/31/30/08/906313008.db2.gz PRNKXIKOKNZOFH-CQSZACIVSA-N 0 1 394.397 3.762 20 5 GHBDMN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](NC(=O)c2ccccc2F)C1 ZINC001173238539 906350189 /nfs/dbraw/zinc/35/01/89/906350189.db2.gz VAQAJDKZCOJFAT-DOTOQJQBSA-N 0 1 385.439 3.559 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1CN[C@H](C)c1ccc(OC)c(Cn2cccn2)c1 ZINC000178730195 906377145 /nfs/dbraw/zinc/37/71/45/906377145.db2.gz HKTFWJKFYAUEHY-OAHLLOKOSA-N 0 1 396.447 3.708 20 5 GHBDMN COc1cc(NC(=O)CN[C@H](C)c2cccc([N+](=O)[O-])c2)c(OC)cc1Cl ZINC000180417727 906765145 /nfs/dbraw/zinc/76/51/45/906765145.db2.gz WLTBYQZZSJZDTR-LLVKDONJSA-N 0 1 393.827 3.555 20 5 GHBDMN CC1([C@@H]2CCCN(Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C2)OCCO1 ZINC000183245087 907356802 /nfs/dbraw/zinc/35/68/02/907356802.db2.gz GMHLGJHTEVOBDN-OAHLLOKOSA-N 0 1 389.477 3.693 20 5 GHBDMN Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CC[C@@H](C(C)(C)O)C2)c([N+](=O)[O-])c1 ZINC001175883458 907791189 /nfs/dbraw/zinc/79/11/89/907791189.db2.gz VEWHSBOGUZASSD-YLJYHZDGSA-N 0 1 397.475 3.676 20 5 GHBDMN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](c2nc[nH]n2)C1 ZINC001176693241 908215759 /nfs/dbraw/zinc/21/57/59/908215759.db2.gz XHZDFDMTCJPNEX-CYBMUJFWSA-N 0 1 389.481 3.625 20 5 GHBDMN Cc1ccc(CN2CCSCC2)cc1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000299511591 921392877 /nfs/dbraw/zinc/39/28/77/921392877.db2.gz IYEZMCHQVGCANH-UHFFFAOYSA-N 0 1 385.489 3.633 20 5 GHBDMN O=[N+]([O-])c1cccc(Br)c1CNCCN1CCc2sccc2C1 ZINC001177491674 908597999 /nfs/dbraw/zinc/59/79/99/908597999.db2.gz BRRWZFNVNJHMPW-UHFFFAOYSA-N 0 1 396.310 3.567 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2nnc(CSc3nc(Cc4ccccc4)n[nH]3)o2)cc1 ZINC000194595868 908900188 /nfs/dbraw/zinc/90/01/88/908900188.db2.gz CFWHNDNDOMSWFQ-UHFFFAOYSA-N 0 1 394.416 3.646 20 5 GHBDMN Cc1c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cnn1C1CCCC1 ZINC000194224772 908926238 /nfs/dbraw/zinc/92/62/38/908926238.db2.gz KVZXETYZAUYHKI-UHFFFAOYSA-N 0 1 384.845 3.669 20 5 GHBDMN CC[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1nc(C(F)(F)F)cs1 ZINC000269260800 910198235 /nfs/dbraw/zinc/19/82/35/910198235.db2.gz AZXMXWXUBIMURY-JTQLQIEISA-N 0 1 375.328 3.657 20 5 GHBDMN CC[C@@H](CSc1ccccc1[N+](=O)[O-])NCc1nnc2n1CCCCC2 ZINC000271156471 910797622 /nfs/dbraw/zinc/79/76/22/910797622.db2.gz RFURXDDMGYGVAV-AWEZNQCLSA-N 0 1 375.498 3.573 20 5 GHBDMN Cc1cc([C@@H]2CCCN(C(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)n[nH]1 ZINC000283434689 911508827 /nfs/dbraw/zinc/50/88/27/911508827.db2.gz GMRIACHSICVYQQ-LLVKDONJSA-N 0 1 382.342 3.665 20 5 GHBDMN CCOc1cc(CN[C@@H](C)c2ccc(N3CCCNC3=O)cc2)ccc1[N+](=O)[O-] ZINC000291164939 915014725 /nfs/dbraw/zinc/01/47/25/915014725.db2.gz GEOSVUWTYIYBPL-HNNXBMFYSA-N 0 1 398.463 3.764 20 5 GHBDMN CN(C)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccsc1 ZINC000294091632 916579528 /nfs/dbraw/zinc/57/95/28/916579528.db2.gz OEQVIWBFGIBWFN-CQSZACIVSA-N 0 1 387.383 3.708 20 5 GHBDMN O=C1[C@H](N2CCC[C@H](Cc3ccccc3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC001190855111 917604490 /nfs/dbraw/zinc/60/44/90/917604490.db2.gz NUMUDQCKXAMXTR-WIYYLYMNSA-N 0 1 379.460 3.655 20 5 GHBDMN Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000802746553 922376666 /nfs/dbraw/zinc/37/66/66/922376666.db2.gz DKCDMULVMVYQAQ-AGUYFDCRSA-N 0 1 399.476 3.974 20 5 GHBDMN Cn1nccc1C1C[C@H]2CC[C@@H](C1)N2Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000802746553 922376673 /nfs/dbraw/zinc/37/66/73/922376673.db2.gz DKCDMULVMVYQAQ-AGUYFDCRSA-N 0 1 399.476 3.974 20 5 GHBDMN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000748640207 923767535 /nfs/dbraw/zinc/76/75/35/923767535.db2.gz UOEGGKUWQMCYAF-UHFFFAOYSA-N 0 1 385.785 3.574 20 5 GHBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CSc1n[nH]c(CCC2CCCC2)n1 ZINC000012104557 925996536 /nfs/dbraw/zinc/99/65/36/925996536.db2.gz OIGHADJJBIQFBZ-UHFFFAOYSA-N 0 1 389.481 3.875 20 5 GHBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CSc1nc(CCC2CCCC2)n[nH]1 ZINC000012104557 925996542 /nfs/dbraw/zinc/99/65/42/925996542.db2.gz OIGHADJJBIQFBZ-UHFFFAOYSA-N 0 1 389.481 3.875 20 5 GHBDMN Cc1cc(F)cc(C(=O)Nc2nc(-c3ccc(F)cc3)ns2)c1[N+](=O)[O-] ZINC000133122706 926079993 /nfs/dbraw/zinc/07/99/93/926079993.db2.gz JNDZNGTUJDKSPT-UHFFFAOYSA-N 0 1 376.344 3.952 20 5 GHBDMN COc1ccc(CN2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)cc1[N+](=O)[O-] ZINC000133212855 926126819 /nfs/dbraw/zinc/12/68/19/926126819.db2.gz YJYOSAJTLJASMJ-INIZCTEOSA-N 0 1 379.420 3.726 20 5 GHBDMN COc1ccc(CN2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)cc1[N+](=O)[O-] ZINC000133212855 926126822 /nfs/dbraw/zinc/12/68/22/926126822.db2.gz YJYOSAJTLJASMJ-INIZCTEOSA-N 0 1 379.420 3.726 20 5 GHBDMN COc1ccc(C[C@H]2CCCN(Cn3nc(C)c4cc([N+](=O)[O-])cnc43)C2)cc1 ZINC000749954220 927368397 /nfs/dbraw/zinc/36/83/97/927368397.db2.gz MEBKRJQVMYOJQK-QGZVFWFLSA-N 0 1 395.463 3.569 20 5 GHBDMN Cc1ccc(Sc2ccc(C(=O)OCCc3c[nH]nn3)cc2[N+](=O)[O-])cc1 ZINC000750718972 927812810 /nfs/dbraw/zinc/81/28/10/927812810.db2.gz PMFSDJUIHIYICF-UHFFFAOYSA-N 0 1 384.417 3.572 20 5 GHBDMN Cc1ccc(Sc2ccc(C(=O)OCCc3cnn[nH]3)cc2[N+](=O)[O-])cc1 ZINC000750718972 927812819 /nfs/dbraw/zinc/81/28/19/927812819.db2.gz PMFSDJUIHIYICF-UHFFFAOYSA-N 0 1 384.417 3.572 20 5 GHBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000375014064 927813947 /nfs/dbraw/zinc/81/39/47/927813947.db2.gz SHMBYWKBZDZHHD-OAGGEKHMSA-N 0 1 386.452 3.844 20 5 GHBDMN Cc1ccc(C=Cc2n[nH]c(S[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)n2)o1 ZINC000012839541 927947605 /nfs/dbraw/zinc/94/76/05/927947605.db2.gz NNFFXXGSLXPATD-IDVQTMNDSA-N 0 1 399.432 3.904 20 5 GHBDMN C[C@@H](NCc1cc(Cl)ccc1N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000467381159 929019299 /nfs/dbraw/zinc/01/92/99/929019299.db2.gz ILLQSPLDQIYLPX-CQSZACIVSA-N 0 1 375.856 3.936 20 5 GHBDMN CCS(=O)(=O)c1cccc(CN[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c1 ZINC000467415156 929047896 /nfs/dbraw/zinc/04/78/96/929047896.db2.gz AKNOJPKRCORXFY-IBGZPJMESA-N 0 1 388.489 3.901 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1CNCc1cccc(C(=O)NCc2ccco2)c1 ZINC000544607811 929340257 /nfs/dbraw/zinc/34/02/57/929340257.db2.gz JPSQVQSFJBRHTI-UHFFFAOYSA-N 0 1 379.416 3.716 20 5 GHBDMN CC[C@@H]1CN(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000544770494 929561621 /nfs/dbraw/zinc/56/16/21/929561621.db2.gz ZWIDBIASCCCVCT-GOSISDBHSA-N 0 1 398.463 3.732 20 5 GHBDMN Cc1c(C(=O)NC[C@H](c2cccc(C(F)(F)F)c2)N(C)C)cccc1[N+](=O)[O-] ZINC000469485754 929931067 /nfs/dbraw/zinc/93/10/67/929931067.db2.gz KKWPNCIQEMBQNC-QGZVFWFLSA-N 0 1 395.381 3.955 20 5 GHBDMN O=C(Nc1nc(-c2ccc(Cl)cc2)n[nH]1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000546195472 929949072 /nfs/dbraw/zinc/94/90/72/929949072.db2.gz HWZCITKPTVMXHZ-UHFFFAOYSA-N 0 1 382.767 3.767 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2cnn(CN3CCC4(CC3)OCc3ccccc34)c2)cc1 ZINC000759748988 930475406 /nfs/dbraw/zinc/47/54/06/930475406.db2.gz FNCLXCICYUAHLD-UHFFFAOYSA-N 0 1 390.443 3.937 20 5 GHBDMN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000470837073 930956466 /nfs/dbraw/zinc/95/64/66/930956466.db2.gz RXMJXQLYDSHOIO-NVXWUHKLSA-N 0 1 383.448 3.559 20 5 GHBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCC[C@@](C)(O)CC2)cc1OC ZINC000471076108 931135934 /nfs/dbraw/zinc/13/59/34/931135934.db2.gz SVZWOKSVCSKPGQ-MGPUTAFESA-N 0 1 380.485 3.765 20 5 GHBDMN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000782505019 931245114 /nfs/dbraw/zinc/24/51/14/931245114.db2.gz VSDCSGHJIVWGPB-STQMWFEESA-N 0 1 383.876 3.983 20 5 GHBDMN C/C(=C/C(=O)NC[C@H](C)N1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000783895752 931708176 /nfs/dbraw/zinc/70/81/76/931708176.db2.gz KOXQHCQOMPNGDJ-NOCRFKNCSA-N 0 1 379.460 3.561 20 5 GHBDMN CCOc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000558772188 932225229 /nfs/dbraw/zinc/22/52/29/932225229.db2.gz HPKXGZIXPLOBSG-SFHVURJKSA-N 0 1 397.475 3.730 20 5 GHBDMN O=C(NCc1c(F)cc(F)c(F)c1F)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000797516965 932316550 /nfs/dbraw/zinc/31/65/50/932316550.db2.gz CPKZMCFIEPBMLQ-UHFFFAOYSA-N 0 1 378.228 3.559 20 5 GHBDMN Cc1c(CC(=O)N[C@H]2CCc3nc(C4CCCCC4)[nH]c3C2)cccc1[N+](=O)[O-] ZINC000798130713 932540544 /nfs/dbraw/zinc/54/05/44/932540544.db2.gz ZMFJTJCTMJCRHE-KRWDZBQOSA-N 0 1 396.491 3.890 20 5 GHBDMN C[C@@H](N[C@H](C)c1ccc(-n2cccn2)c(F)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000559307975 932589136 /nfs/dbraw/zinc/58/91/36/932589136.db2.gz MJWUSCWIEKMSGV-ZIAGYGMSSA-N 0 1 397.410 3.597 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1CCCN([C@@H](C)c2ccc(F)cc2)C1=O ZINC000559341448 932613575 /nfs/dbraw/zinc/61/35/75/932613575.db2.gz BYOYZHUQFSZSGK-MGPUTAFESA-N 0 1 385.439 3.884 20 5 GHBDMN 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C[C@@]12CCN(C(=O)c3cc(-c4ccc([N+](=O)[O-])cc4)[nH]n3)C[C@@H]1C2(Cl)Cl ZINC000831993928 1025097641 /nfs/dbraw/zinc/09/76/41/1025097641.db2.gz YFGWFTRFPMGEBO-GOEBONIOSA-N 0 1 395.246 3.641 20 5 GHBDMN O=[N+]([O-])c1cnc2c(Cl)cccc2c1NCCN1CCc2ccccc2C1 ZINC001162099734 1025605992 /nfs/dbraw/zinc/60/59/92/1025605992.db2.gz YVJNFPGKVGQZLQ-UHFFFAOYSA-N 0 1 382.851 3.689 20 5 GHBDMN O=C(CN1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839589842 1026088594 /nfs/dbraw/zinc/08/85/94/1026088594.db2.gz OVYBKMCEKZBRCB-YXJHDRRASA-N 0 1 395.887 3.592 20 5 GHBDMN CC(C)(C)c1nc(CN[C@@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)n[nH]1 ZINC000839655696 1026177362 /nfs/dbraw/zinc/17/73/62/1026177362.db2.gz WEMVELODMBRWKG-LBPRGKRZSA-N 0 1 375.326 3.543 20 5 GHBDMN O=[N+]([O-])c1ccccc1-c1nnc(CSc2nc(Cc3ccccc3)n[nH]2)o1 ZINC001166040530 1026904135 /nfs/dbraw/zinc/90/41/35/1026904135.db2.gz VEXFLWHXFGYINU-UHFFFAOYSA-N 0 1 394.416 3.646 20 5 GHBDMN CCN1CCC[C@H](NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1=O 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GLMPUWJHXUTCNM-UHFFFAOYSA-N 0 1 381.344 3.545 20 5 GHBDMN Cc1c(-c2nc(-c3ccc(N4CCN(C)CC4)cc3)no2)cc(F)cc1[N+](=O)[O-] ZINC001216902798 1029989768 /nfs/dbraw/zinc/98/97/68/1029989768.db2.gz SCGYUKPIXZWGMD-UHFFFAOYSA-N 0 1 397.410 3.511 20 5 GHBDMN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@@H]2C)c1 ZINC001150138697 1030422559 /nfs/dbraw/zinc/42/25/59/1030422559.db2.gz BMNAUOWAUYZICS-HNAYVOBHSA-N 0 1 399.516 3.957 20 5 GHBDMN COC(=O)c1c(CO[C@H]2CCC[N@H+]([C@@H](C)c3ccccn3)C2)cccc1[N+](=O)[O-] ZINC001223296402 1030514021 /nfs/dbraw/zinc/51/40/21/1030514021.db2.gz ZQEFTJFHXFKRBW-RDJZCZTQSA-N 0 1 399.447 3.519 20 5 GHBDMN COC(=O)c1c(CO[C@H]2CCCN([C@@H](C)c3ccccn3)C2)cccc1[N+](=O)[O-] ZINC001223296402 1030514032 /nfs/dbraw/zinc/51/40/32/1030514032.db2.gz ZQEFTJFHXFKRBW-RDJZCZTQSA-N 0 1 399.447 3.519 20 5 GHBDMN CCOc1ccc2c(c1)c(=N)c1ccc(N)cc1n2C(=O)c1ccnc2[nH]ccc21 ZINC001150969764 1030727732 /nfs/dbraw/zinc/72/77/32/1030727732.db2.gz NHZMQGFSGDUHDR-UHFFFAOYSA-N 0 1 397.438 3.771 20 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ZINC001161130770 1035152190 /nfs/dbraw/zinc/15/21/90/1035152190.db2.gz BOQZUOYERDPONG-UHFFFAOYSA-N 0 1 376.844 3.734 20 5 GHBDMN CC[C@H]1CN(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 ZINC001248662122 1036036935 /nfs/dbraw/zinc/03/69/35/1036036935.db2.gz JGKSCABYPVFVBU-PXNSSMCTSA-N 0 1 396.491 3.962 20 5 GHBDMN O=[N+]([O-])c1ccccc1CCc1nc(-c2ncccc2/C=C/N2CCCC2)no1 ZINC001247605144 1038272942 /nfs/dbraw/zinc/27/29/42/1038272942.db2.gz UCYDHHXSUPOSMD-RVDMUPIBSA-N 0 1 391.431 3.892 20 5 GHBDMN O=[N+]([O-])c1cc(I)cc(CN[C@@H]2CCCC[C@H]2F)c1 ZINC001462340905 1070184647 /nfs/dbraw/zinc/18/46/47/1070184647.db2.gz TUNRESNBYIXROU-CHWSQXEVSA-N 0 1 378.185 3.570 20 5 GHBDMN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC(Nc3ccccc3Cl)CC2)c1 ZINC001253462976 1039653716 /nfs/dbraw/zinc/65/37/16/1039653716.db2.gz QDDQBLHGITYIFZ-IBGZPJMESA-N 0 1 375.856 3.858 20 5 GHBDMN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1C[C@H](C)C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001254563975 1040337775 /nfs/dbraw/zinc/33/77/75/1040337775.db2.gz HNSKTYLUTDPXBW-HLLBOEOZSA-N 0 1 377.485 3.761 20 5 GHBDMN CCn1c2ccccc2nc1N1CCN([C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254570551 1040346827 /nfs/dbraw/zinc/34/68/27/1040346827.db2.gz NPAXGTWAVVQNPU-QGZVFWFLSA-N 0 1 393.491 3.718 20 5 GHBDMN O=[N+]([O-])c1ccc2c(c1)C[C@@H](NCc1c(F)cc(Br)cc1F)C2 ZINC001254580116 1040354814 /nfs/dbraw/zinc/35/48/14/1040354814.db2.gz CBOKUCJETUKCLD-LBPRGKRZSA-N 0 1 383.192 3.893 20 5 GHBDMN O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CCN(c3cccc(C(F)(F)F)c3)CC1)C2 ZINC001254596043 1040369102 /nfs/dbraw/zinc/36/91/02/1040369102.db2.gz BFIQFTDZWOAZFQ-IBGZPJMESA-N 0 1 391.393 3.903 20 5 GHBDMN O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CCN(c3ccccc3C(F)(F)F)CC1)C2 ZINC001254612083 1040384804 /nfs/dbraw/zinc/38/48/04/1040384804.db2.gz UWLXJYBUWGHYFZ-QGZVFWFLSA-N 0 1 391.393 3.903 20 5 GHBDMN CC(C)c1nnc(-c2ccccc2NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])[nH]1 ZINC001291959407 1043547294 /nfs/dbraw/zinc/54/72/94/1043547294.db2.gz PRNKQRDRQOEVEC-UHFFFAOYSA-N 0 1 383.383 3.824 20 5 GHBDMN C[C@H]1CN(CCc2nnc(-c3ccc(-c4cccc([N+](=O)[O-])c4)o3)o2)C[C@H](C)O1 ZINC001258120342 1044406976 /nfs/dbraw/zinc/40/69/76/1044406976.db2.gz RAJRGDLKNFGDNY-KBPBESRZSA-N 0 1 398.419 3.557 20 5 GHBDMN CN1CCN(c2ccc([N+](=O)[O-])c(NC(=O)C[C@@H]3CCCCC3(C)C)c2)CC1 ZINC001463054777 1070759827 /nfs/dbraw/zinc/75/98/27/1070759827.db2.gz GTWQDBVBCWTHGA-INIZCTEOSA-N 0 1 388.512 3.892 20 5 GHBDMN CC(C)c1cc([C@@H]2CCCN(C(=O)CSc3ccc([N+](=O)[O-])cc3)C2)n[nH]1 ZINC001303319424 1047358671 /nfs/dbraw/zinc/35/86/71/1047358671.db2.gz GAVJNQBCTLEDJY-CQSZACIVSA-N 0 1 388.493 3.940 20 5 GHBDMN CCC(CC)(CNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)SC ZINC001463210046 1070912949 /nfs/dbraw/zinc/91/29/49/1070912949.db2.gz QLGIRWSFIWMBJV-UHFFFAOYSA-N 0 1 384.882 3.587 20 5 GHBDMN O=[N+]([O-])c1ccc(OCCCN2CCN(c3cccc4[nH]ccc43)CC2)cc1 ZINC001308000816 1049749503 /nfs/dbraw/zinc/74/95/03/1049749503.db2.gz XJARYQAUCZNNJL-UHFFFAOYSA-N 0 1 380.448 3.667 20 5 GHBDMN CC(C)c1cc([C@H]2CCCN([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)[nH]n1 ZINC001308053970 1049801926 /nfs/dbraw/zinc/80/19/26/1049801926.db2.gz BLLGDUDWBHLFLZ-GJZGRUSLSA-N 0 1 385.468 3.648 20 5 GHBDMN CC(C)(C)OC(=O)NC[C@]12CN(Cc3cccnc3[N+](=O)[O-])C[C@H]1CCCC2 ZINC001308173929 1049900542 /nfs/dbraw/zinc/90/05/42/1049900542.db2.gz QDXGLZKVGIXVGR-OXQOHEQNSA-N 0 1 390.484 3.507 20 5 GHBDMN CC[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2OC)CCN1Cc1ccccc1 ZINC001310594968 1051475380 /nfs/dbraw/zinc/47/53/80/1051475380.db2.gz OHQXOTZBZHOHDB-QGZVFWFLSA-N 0 1 398.463 3.732 20 5 GHBDMN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2nc(C(C)C)n[nH]2)cc1 ZINC001318276231 1054541227 /nfs/dbraw/zinc/54/12/27/1054541227.db2.gz FTASUGPZRJGJIN-UHFFFAOYSA-N 0 1 397.391 3.890 20 5 GHBDMN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2n[nH]c(C(C)C)n2)cc1 ZINC001318276231 1054541238 /nfs/dbraw/zinc/54/12/38/1054541238.db2.gz FTASUGPZRJGJIN-UHFFFAOYSA-N 0 1 397.391 3.890 20 5 GHBDMN Cn1ccnc1[C@H](NC1CCC2(CCOCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC001325874639 1057377890 /nfs/dbraw/zinc/37/78/90/1057377890.db2.gz UADHKXZYVJIRFS-LJQANCHMSA-N 0 1 384.480 3.747 20 5 GHBDMN C[C@@H]1CN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])[C@H](C)CN1Cc1ccccc1 ZINC001356354814 1057486753 /nfs/dbraw/zinc/48/67/53/1057486753.db2.gz LGTAMMDZCPHZCA-IAGOWNOFSA-N 0 1 399.466 3.788 20 5 GHBDMN CN1CCCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)c2cc(F)ccc21 ZINC001444506295 1059330858 /nfs/dbraw/zinc/33/08/58/1059330858.db2.gz NMXRBGTXYFULSN-UHFFFAOYSA-N 0 1 395.394 3.611 20 5 GHBDMN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@H](c1nnc[nH]1)c1ccccc1 ZINC001451084026 1060735295 /nfs/dbraw/zinc/73/52/95/1060735295.db2.gz VQBTXROMSSELOJ-APWZRJJASA-N 0 1 393.447 3.530 20 5 GHBDMN C[C@@H]1CN(CCCNc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C[C@H](C)O1 ZINC001458087933 1063556904 /nfs/dbraw/zinc/55/69/04/1063556904.db2.gz YYAKENDFSCCHRJ-GASCZTMLSA-N 0 1 388.443 3.707 20 5 GHBDMN Cc1ccc(Sc2ccc(C(=O)N[C@@H]3CN4CCC3CC4)cc2[N+](=O)[O-])cc1 ZINC001353753213 1066221806 /nfs/dbraw/zinc/22/18/06/1066221806.db2.gz CAHJVVHRYYRGDV-GOSISDBHSA-N 0 1 397.500 3.878 20 5 GHBDMN COc1ccc2nc([C@@H](C)NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)[nH]c2c1 ZINC001467333856 1067233690 /nfs/dbraw/zinc/23/36/90/1067233690.db2.gz QICNMZDCNIMARZ-GFCCVEGCSA-N 0 1 382.420 3.635 20 5 GHBDMN O=C(Nc1c(=O)[nH][nH]c1-c1ccccc1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001468380903 1067711363 /nfs/dbraw/zinc/71/13/63/1067711363.db2.gz NJWWRZLRDGCFHJ-UHFFFAOYSA-N 0 1 376.731 3.735 20 5 GHBDMN C[C@@H](CCCc1ccccc1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC001472504211 1073519341 /nfs/dbraw/zinc/51/93/41/1073519341.db2.gz WONVOWBKACGIKM-AWEZNQCLSA-N 0 1 379.420 3.977 20 5 GHBDMN O=C(Nc1cccc(-c2cn[nH]n2)c1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001472542454 1073541783 /nfs/dbraw/zinc/54/17/83/1073541783.db2.gz BONWWADQVVANRM-UHFFFAOYSA-N 0 1 377.282 3.651 20 5 GHBDMN Cc1cc(N2CC[C@@]3(C2)CN(Cc2ccccc2)C[C@@H](C)O3)ccc1[N+](=O)[O-] ZINC001472862317 1073700494 /nfs/dbraw/zinc/70/04/94/1073700494.db2.gz LNAHBAOWEAERRG-GCJKJVERSA-N 0 1 381.476 3.773 20 5 GHBDMN C[C@]1(Cc2ccc(F)cc2)CCCN1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001473566404 1074019451 /nfs/dbraw/zinc/01/94/51/1074019451.db2.gz RFMVCUICKPPCBE-JOCHJYFZSA-N 0 1 397.450 3.720 20 5 GHBDMN C[C@@H]1C[N@H+](Cc2ccc(CN(C)Cc3cc([O-])ccc3[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC001473598657 1074040239 /nfs/dbraw/zinc/04/02/39/1074040239.db2.gz RXZXTNLHNZLNFS-CALCHBBNSA-N 0 1 399.491 3.542 20 5 GHBDMN CCCN(Cc1ccc(OC)cc1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC001473714831 1074103458 /nfs/dbraw/zinc/10/34/58/1074103458.db2.gz LDXQLAFXKAHZLZ-FQEVSTJZSA-N 0 1 383.448 3.621 20 5 GHBDMN Cc1cc(CNCCOc2ccc([N+](=O)[O-])cc2)c(Br)cc1F ZINC001473981527 1074225691 /nfs/dbraw/zinc/22/56/91/1074225691.db2.gz KQUBIPHMCUIZKO-UHFFFAOYSA-N 0 1 383.217 3.973 20 5 GHBDMN O=[N+]([O-])c1cccc(Br)c1CN[C@@H]1CCO[C@@H](c2ccccn2)C1 ZINC001474146955 1074276867 /nfs/dbraw/zinc/27/68/67/1074276867.db2.gz MPRRJDXPBVONCO-SJKOYZFVSA-N 0 1 392.253 3.762 20 5 GHBDMN C[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])c1nc(C(F)(F)F)n[n-]1 ZINC001474724359 1074534886 /nfs/dbraw/zinc/53/48/86/1074534886.db2.gz PVDCUIVSDUYMBI-DMDPSCGWSA-N 0 1 383.374 3.794 20 5 GHBDMN Cc1ncc([C@H](C)NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])s1 ZINC001475566103 1074915862 /nfs/dbraw/zinc/91/58/62/1074915862.db2.gz XQTBYDXJHYDKNH-LURJTMIESA-N 0 1 396.277 3.706 20 5 GHBDMN Cc1[nH+]ccn1-c1ccc(CNc2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)cc1F ZINC000832896603 601545604 /nfs/dbraw/zinc/54/56/04/601545604.db2.gz BWXYVTUDIUZXOR-UHFFFAOYSA-N 0 1 384.367 3.847 20 5 GHBDMN C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830825468 601899578 /nfs/dbraw/zinc/89/95/78/601899578.db2.gz XTFGMLQYSIACAV-OAHLLOKOSA-N 0 1 388.729 3.923 20 5 GHBDMN C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830825468 601899580 /nfs/dbraw/zinc/89/95/80/601899580.db2.gz XTFGMLQYSIACAV-OAHLLOKOSA-N 0 1 388.729 3.923 20 5 GHBDMN O=C(NC[C@@H](Cc1ccccc1)C(F)(F)F)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000580746328 837399503 /nfs/dbraw/zinc/39/95/03/837399503.db2.gz NHHPPEJODCWJKM-GFCCVEGCSA-N 0 1 392.337 3.622 20 5 GHBDMN Cc1cc(F)cc(C(=O)Nc2cccc(CN3CCSCC3)c2)c1[N+](=O)[O-] ZINC000176792528 834756391 /nfs/dbraw/zinc/75/63/91/834756391.db2.gz LGOZLISNDQUXEV-UHFFFAOYSA-N 0 1 389.452 3.843 20 5 GHBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2C[C@@H](C)[C@](C)(C(=O)[O-])C2)cc1OC ZINC000583758354 834988686 /nfs/dbraw/zinc/98/86/86/834988686.db2.gz FXWARCQVWQWHJA-LRDNONRASA-N 0 1 394.468 3.571 20 5 GHBDMN Cc1ccc(CNC(=O)C2CCN([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000175323320 835157811 /nfs/dbraw/zinc/15/78/11/835157811.db2.gz WKVXCZXDXIEGNE-QGZVFWFLSA-N 0 1 381.476 3.993 20 5 GHBDMN CN(C)[C@@H](CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1cccs1 ZINC000178994577 835175766 /nfs/dbraw/zinc/17/57/66/835175766.db2.gz KKIVDHRXKUMPDS-KRWDZBQOSA-N 0 1 388.493 3.633 20 5 GHBDMN Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CCC[C@@H]2C[C@H](C)O)c([N+](=O)[O-])c1 ZINC000246900201 835286284 /nfs/dbraw/zinc/28/62/84/835286284.db2.gz XRIZGXAWMGTIAQ-CDXJDZJCSA-N 0 1 397.475 3.818 20 5 GHBDMN Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCC[C@@H]2C[C@H](C)O)c([N+](=O)[O-])c1 ZINC000246900201 835286292 /nfs/dbraw/zinc/28/62/92/835286292.db2.gz XRIZGXAWMGTIAQ-CDXJDZJCSA-N 0 1 397.475 3.818 20 5 GHBDMN O=[N+]([O-])c1cc(CN[C@@H](C[C@@H]2CCOC2)c2ccccc2)c2c(c1)COCO2 ZINC000179015940 835310969 /nfs/dbraw/zinc/31/09/69/835310969.db2.gz AZHKBASRYZWRDV-YWZLYKJASA-N 0 1 384.432 3.719 20 5 GHBDMN CCc1[nH]nc(C(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)c1[N+](=O)[O-] ZINC000188145521 835383726 /nfs/dbraw/zinc/38/37/26/835383726.db2.gz AVSLQSGFGVMTRJ-UHFFFAOYSA-N 0 1 382.342 3.704 20 5 GHBDMN CC[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1ccc(Cl)cc1 ZINC000024252953 835442560 /nfs/dbraw/zinc/44/25/60/835442560.db2.gz MMYUTXBLQUALAE-HNNXBMFYSA-N 0 1 377.828 3.936 20 5 GHBDMN COc1cccc(CC2CCN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)CC2)c1 ZINC000612123020 835551763 /nfs/dbraw/zinc/55/17/63/835551763.db2.gz CYBAGHAMYYSIQI-UHFFFAOYSA-N 0 1 398.459 3.925 20 5 GHBDMN COCCC1(CN[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000274907366 835799861 /nfs/dbraw/zinc/79/98/61/835799861.db2.gz IUXQPUTUTTTXFM-IBGZPJMESA-N 0 1 386.496 3.994 20 5 GHBDMN Cc1cccc2nc(C3CCN(C(=O)c4cc(O)cc([N+](=O)[O-])c4)CC3)oc21 ZINC000547729169 835820210 /nfs/dbraw/zinc/82/02/10/835820210.db2.gz PTFQCEOCQGKIQO-UHFFFAOYSA-N 0 1 381.388 3.770 20 5 GHBDMN C[C@H](N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cccc(OC(F)F)c1 ZINC000179592523 835887399 /nfs/dbraw/zinc/88/73/99/835887399.db2.gz TVTPNYOMLOGBQB-YVEFUNNKSA-N 0 1 391.374 3.652 20 5 GHBDMN C[C@@H](N[C@H](C)c1cccc(OC(F)F)c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000179594814 835895315 /nfs/dbraw/zinc/89/53/15/835895315.db2.gz PRXOAISUOQWNMM-VXGBXAGGSA-N 0 1 379.363 3.874 20 5 GHBDMN CC[C@@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccccc1OC(F)F ZINC000179720255 835955820 /nfs/dbraw/zinc/95/58/20/835955820.db2.gz YWPHLKCIPZNLFZ-MRXNPFEDSA-N 0 1 393.390 3.900 20 5 GHBDMN CCS(=O)(=O)c1cc(Cl)cc(CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000582615719 836509138 /nfs/dbraw/zinc/50/91/38/836509138.db2.gz CPABKYWBJYGLMK-QGZVFWFLSA-N 0 1 394.880 3.819 20 5 GHBDMN O=C(CNCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)NCC1CC1 ZINC000180390891 837202138 /nfs/dbraw/zinc/20/21/38/837202138.db2.gz OMUSZEWGSIEVEZ-UHFFFAOYSA-N 0 1 389.839 3.656 20 5 GHBDMN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](Sc1c[nH]nn1)c1ccccc1 ZINC000177371022 837942418 /nfs/dbraw/zinc/94/24/18/837942418.db2.gz URDXJWGVFHHPCD-OAHLLOKOSA-N 0 1 389.824 3.838 20 5 GHBDMN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](Sc1c[nH]nn1)c1ccccc1 ZINC000177371005 837942703 /nfs/dbraw/zinc/94/27/03/837942703.db2.gz URDXJWGVFHHPCD-HNNXBMFYSA-N 0 1 389.824 3.838 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@@H]2Cc2cc(F)ccc2F)c1[N+](=O)[O-] ZINC000416258404 838833370 /nfs/dbraw/zinc/83/33/70/838833370.db2.gz NRXKPDGNVDCAPZ-CYBMUJFWSA-N 0 1 378.379 3.567 20 5 GHBDMN C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000549173747 839160445 /nfs/dbraw/zinc/16/04/45/839160445.db2.gz UTGZWWXFLJUJJN-VZLUNSFSSA-N 0 1 385.508 3.543 20 5 GHBDMN C[C@H](Nc1ccc(-c2nc(C3(N)CCC3)no2)cc1[N+](=O)[O-])c1ccccn1 ZINC000261894377 839856662 /nfs/dbraw/zinc/85/66/62/839856662.db2.gz XUCLTHUTPPMJBH-LBPRGKRZSA-N 0 1 380.408 3.551 20 5 GHBDMN Cc1c(CN2CCC(C(=O)N3CCc4ccccc43)CC2)cccc1[N+](=O)[O-] ZINC000129301492 844542639 /nfs/dbraw/zinc/54/26/39/844542639.db2.gz YDLOKRULJRLTLA-UHFFFAOYSA-N 0 1 379.460 3.705 20 5 GHBDMN Cc1cc(N(C)CCn2cc(Br)cn2)c2cc([N+](=O)[O-])ccc2n1 ZINC000584742074 840716005 /nfs/dbraw/zinc/71/60/05/840716005.db2.gz XQDCBUISLJKBAK-UHFFFAOYSA-N 0 1 390.241 3.547 20 5 GHBDMN CC[C@@H](NCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000124235096 840844126 /nfs/dbraw/zinc/84/41/26/840844126.db2.gz IXSGYNVCEDACEK-OAHLLOKOSA-N 0 1 377.828 3.936 20 5 GHBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2nc(C3CC3)oc2c1 ZINC000432205466 841147143 /nfs/dbraw/zinc/14/71/43/841147143.db2.gz ZBLZIWNNUIRQIO-UHFFFAOYSA-N 0 1 387.417 3.977 20 5 GHBDMN CN(Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)[C@]1(CO)CCOC1 ZINC000600178209 861194244 /nfs/dbraw/zinc/19/42/44/861194244.db2.gz HJBNPVVKSWXSPA-IBGZPJMESA-N 0 1 392.839 3.624 20 5 GHBDMN Cc1cc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302184221 861234998 /nfs/dbraw/zinc/23/49/98/861234998.db2.gz OWDKUSJQJNBXOE-CQSZACIVSA-N 0 1 386.452 3.945 20 5 GHBDMN CCN(CC)CC(=O)Nc1cccc(N[C@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000570343348 842280879 /nfs/dbraw/zinc/28/08/79/842280879.db2.gz KHIFGJAGHPPAOI-IBGZPJMESA-N 0 1 382.464 3.975 20 5 GHBDMN Cc1cccc(OC[C@@H](O)CN(Cc2ccc([N+](=O)[O-])c(F)c2)C(C)C)c1 ZINC001167486988 842363476 /nfs/dbraw/zinc/36/34/76/842363476.db2.gz DAKAEXRQZHLGDE-KRWDZBQOSA-N 0 1 376.428 3.693 20 5 GHBDMN CO[C@H](c1ccccc1Cl)[C@H](C)NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000481411358 861309162 /nfs/dbraw/zinc/30/91/62/861309162.db2.gz RUJAICQUGSMVBD-DJJJIMSYSA-N 0 1 391.855 3.577 20 5 GHBDMN C[C@H]1CN(c2ccc(CN[C@H]3CC(C)(C)c4ccc([N+](=O)[O-])cc43)cn2)CCO1 ZINC000279108360 842598936 /nfs/dbraw/zinc/59/89/36/842598936.db2.gz OZSNZZICUHWPMU-YWZLYKJASA-N 0 1 396.491 3.727 20 5 GHBDMN COc1ccc(NC(=O)CN2CCC[C@H]2CCc2ccccc2)c([N+](=O)[O-])c1 ZINC000603895574 861342645 /nfs/dbraw/zinc/34/26/45/861342645.db2.gz URCDRAKGNIUBMR-KRWDZBQOSA-N 0 1 383.448 3.639 20 5 GHBDMN O=C(CCCc1ccccc1)N[C@H]1CCCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000510578663 842996318 /nfs/dbraw/zinc/99/63/18/842996318.db2.gz KXVTVWNPLNGTJX-NRFANRHFSA-N 0 1 395.503 3.741 20 5 GHBDMN O=[N+]([O-])c1ccc2oc(CN(CCCO)[C@H]3CCCc4ccccc43)nc2c1 ZINC000610582390 843092699 /nfs/dbraw/zinc/09/26/99/843092699.db2.gz BSBSGCVYQUPKHP-IBGZPJMESA-N 0 1 381.432 3.998 20 5 GHBDMN Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000150830101 843532414 /nfs/dbraw/zinc/53/24/14/843532414.db2.gz WENBZBHDIJCFFR-UHFFFAOYSA-N 0 1 378.303 3.862 20 5 GHBDMN CCOc1cc(CN2CCC(OC[C@@H]3CCCCO3)CC2)ccc1[N+](=O)[O-] ZINC000276870412 843607930 /nfs/dbraw/zinc/60/79/30/843607930.db2.gz HLPGFXIPJCQAFN-SFHVURJKSA-N 0 1 378.469 3.544 20 5 GHBDMN C[C@H]1CCC[N@@H+](Cc2ccc(CNc3nc(C(=O)[O-])ccc3[N+](=O)[O-])cc2)C1 ZINC000568888055 843691956 /nfs/dbraw/zinc/69/19/56/843691956.db2.gz WQYSQZKUYJASHU-AWEZNQCLSA-N 0 1 384.436 3.532 20 5 GHBDMN O=[N+]([O-])c1cc(F)c(CN2CCCN(Cc3ccc(F)cc3)CC2)c(F)c1 ZINC000509846706 843960592 /nfs/dbraw/zinc/96/05/92/843960592.db2.gz CLBDBNHAXSGSIQ-UHFFFAOYSA-N 0 1 379.382 3.720 20 5 GHBDMN Cc1ccc(Sc2ccc(C(=O)N[C@H](C)c3nnc[nH]3)cc2[N+](=O)[O-])cc1 ZINC000176190088 844746727 /nfs/dbraw/zinc/74/67/27/844746727.db2.gz QWZCKFAPDLRZSP-GFCCVEGCSA-N 0 1 383.433 3.664 20 5 GHBDMN O=[N+]([O-])c1ccc2nc(NCCCN3CCN(c4ccccc4)CC3)sc2c1 ZINC000731209127 861514421 /nfs/dbraw/zinc/51/44/21/861514421.db2.gz TZKJOUDFMSAEDM-UHFFFAOYSA-N 0 1 397.504 3.829 20 5 GHBDMN O=[N+]([O-])c1cc(CN2CCC(c3c[nH]c4ncccc34)CC2)c2c(c1)COCO2 ZINC000120662986 844987750 /nfs/dbraw/zinc/98/77/50/844987750.db2.gz VAIJTRAAGJGDKN-UHFFFAOYSA-N 0 1 394.431 3.717 20 5 GHBDMN CCOc1ccc([C@@H](C)N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000047608681 845215913 /nfs/dbraw/zinc/21/59/13/845215913.db2.gz BPLVZYYJRYIJSZ-ZIAGYGMSSA-N 0 1 387.436 3.680 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N(C)Cc2cc(Br)ccc2F)c1[N+](=O)[O-] ZINC000433712409 845227228 /nfs/dbraw/zinc/22/72/28/845227228.db2.gz HTUPHSJDXHQJBD-UHFFFAOYSA-N 0 1 399.220 3.615 20 5 GHBDMN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CCN(Cc2ccccc2)CC[C@H]1C ZINC000843813002 861576029 /nfs/dbraw/zinc/57/60/29/861576029.db2.gz FVTOLBDZYGEGKQ-OAHLLOKOSA-N 0 1 385.439 3.779 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1CNC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000539242503 846020903 /nfs/dbraw/zinc/02/09/03/846020903.db2.gz AAQUQWYIDUWBJG-UHFFFAOYSA-N 0 1 384.432 3.934 20 5 GHBDMN COc1ccc([C@H](CNC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)N2CCCC2)cc1 ZINC000555715040 861640433 /nfs/dbraw/zinc/64/04/33/861640433.db2.gz LULSQLKQRQUIGF-IERDGZPVSA-N 0 1 397.475 3.660 20 5 GHBDMN CC[C@@H]1C[C@]1(NCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1cccc(C)c1 ZINC000502578957 846224035 /nfs/dbraw/zinc/22/40/35/846224035.db2.gz MPBYYYZULQRDRR-QVKFZJNVSA-N 0 1 383.448 3.765 20 5 GHBDMN Cc1c2ccccc2oc1[C@@H](C)NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000183579127 846319514 /nfs/dbraw/zinc/31/95/14/846319514.db2.gz LAIFXOQRJXXBKH-CQSZACIVSA-N 0 1 379.416 3.889 20 5 GHBDMN CC[N@H+]1CCCC[C@H]1CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000548692823 846484754 /nfs/dbraw/zinc/48/47/54/846484754.db2.gz DRQUHUCUWSUVBR-HNNXBMFYSA-N 0 1 399.441 3.564 20 5 GHBDMN CCN1CCCC[C@H]1CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000548692823 846484759 /nfs/dbraw/zinc/48/47/59/846484759.db2.gz DRQUHUCUWSUVBR-HNNXBMFYSA-N 0 1 399.441 3.564 20 5 GHBDMN O=[N+]([O-])c1ccc(CNCCOc2ncc(C(F)(F)F)cc2Cl)c(F)c1 ZINC000478238683 847019369 /nfs/dbraw/zinc/01/93/69/847019369.db2.gz QDPZOVBQEAPWLH-UHFFFAOYSA-N 0 1 393.724 3.970 20 5 GHBDMN CC(C)CN1Cc2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3N(C)C)c2C1 ZINC000158269644 847165761 /nfs/dbraw/zinc/16/57/61/847165761.db2.gz NUZGLSDITWEMNA-UHFFFAOYSA-N 0 1 382.464 3.885 20 5 GHBDMN CCN(CCNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)CCC(F)(F)F ZINC000599835704 861770568 /nfs/dbraw/zinc/77/05/68/861770568.db2.gz NHGDXRQGRJIKBZ-UHFFFAOYSA-N 0 1 399.373 3.539 20 5 GHBDMN CC(C)(O)CCN[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000478919832 847340826 /nfs/dbraw/zinc/34/08/26/847340826.db2.gz OOFOEKUVQJZSRJ-KRWDZBQOSA-N 0 1 391.855 3.679 20 5 GHBDMN COC(=O)c1cc(C(=O)Nc2cccc3c2CN(CC(C)C)C3)cc([N+](=O)[O-])c1 ZINC000158373128 847365389 /nfs/dbraw/zinc/36/53/89/847365389.db2.gz QUAHYMSVDRABMU-UHFFFAOYSA-N 0 1 397.431 3.605 20 5 GHBDMN COc1ccc2c(c1)OC[C@@H](NCc1csc(-c3cccc([N+](=O)[O-])c3)n1)C2 ZINC000503270087 847537344 /nfs/dbraw/zinc/53/73/44/847537344.db2.gz JKTUOXFZDSUZKX-HNNXBMFYSA-N 0 1 397.456 3.820 20 5 GHBDMN Cc1nc(-c2ccc(NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc2)oc1C ZINC000604284669 862033675 /nfs/dbraw/zinc/03/36/75/862033675.db2.gz GSIJMJIDJNNXGZ-UHFFFAOYSA-N 0 1 387.417 3.976 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000504045501 849854885 /nfs/dbraw/zinc/85/48/85/849854885.db2.gz WEVZCASZKYGLAG-UHFFFAOYSA-N 0 1 392.767 3.959 20 5 GHBDMN Cc1cc(C)c([N+](=O)[O-])cc1NS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000766042629 862100277 /nfs/dbraw/zinc/10/02/77/862100277.db2.gz LSUSVOXXVHPPBD-UHFFFAOYSA-N 0 1 379.394 3.537 20 5 GHBDMN CC[C@@H](N[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(OC)c(OC)c1 ZINC000506668205 850337188 /nfs/dbraw/zinc/33/71/88/850337188.db2.gz HFQKCJKBRKKVOJ-UKRRQHHQSA-N 0 1 387.436 3.680 20 5 GHBDMN C[C@H]1CN(Cc2ccc(-c3nc(-c4cccc([N+](=O)[O-])c4)no3)cc2)C[C@H](C)O1 ZINC000504968766 850491972 /nfs/dbraw/zinc/49/19/72/850491972.db2.gz IJORVMNULOKSHJ-GJZGRUSLSA-N 0 1 394.431 3.921 20 5 GHBDMN Cc1ccc2nc(CNC(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)[nH]c2c1 ZINC000437998917 850866537 /nfs/dbraw/zinc/86/65/37/850866537.db2.gz WZKOBWGIQVGKJY-UHFFFAOYSA-N 0 1 379.420 3.654 20 5 GHBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(-c2coc(C)n2)cc1 ZINC000604470771 862212624 /nfs/dbraw/zinc/21/26/24/862212624.db2.gz RLTKSBRGENFDRJ-UHFFFAOYSA-N 0 1 387.417 3.921 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N2CC[C@](F)(c3cccc(Cl)c3)C2)c1[N+](=O)[O-] ZINC000514247467 851472580 /nfs/dbraw/zinc/47/25/80/851472580.db2.gz AEKZVYJGWGHCED-QGZVFWFLSA-N 0 1 380.807 3.806 20 5 GHBDMN COc1cc(CN2CCSC(C)(C)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000434704390 851494532 /nfs/dbraw/zinc/49/45/32/851494532.db2.gz DPVQRHJVHSLTOC-UHFFFAOYSA-N 0 1 390.452 3.965 20 5 GHBDMN COc1cccc(CN(CC(C)C)C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)c1 ZINC000604491478 862250003 /nfs/dbraw/zinc/25/00/03/862250003.db2.gz OKEFNPHGLBYKEY-UHFFFAOYSA-N 0 1 382.420 3.778 20 5 GHBDMN O=C(Nc1nc2ccc(F)cc2[nH]1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000488903823 851856986 /nfs/dbraw/zinc/85/69/86/851856986.db2.gz YDXFQLOMDWYEBW-UHFFFAOYSA-N 0 1 379.145 3.625 20 5 GHBDMN O=C(Nc1nc2ccc(F)cc2[nH]1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000488947172 851894394 /nfs/dbraw/zinc/89/43/94/851894394.db2.gz DXKBFIOUTCSENN-UHFFFAOYSA-N 0 1 379.145 3.625 20 5 GHBDMN CCC(=O)c1ccc(O)c(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000436652779 852142427 /nfs/dbraw/zinc/14/24/27/852142427.db2.gz QUWGOTLZNYFAJI-UHFFFAOYSA-N 0 1 397.431 3.748 20 5 GHBDMN COc1ccc(CNCc2ccc([N+](=O)[O-])cc2)c(OCc2cccnc2)c1 ZINC000443962717 862334100 /nfs/dbraw/zinc/33/41/00/862334100.db2.gz JOWOTOSMMPKAIE-UHFFFAOYSA-N 0 1 379.416 3.867 20 5 GHBDMN CC(=O)c1ccc(O)c(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)c1 ZINC000436729497 852270840 /nfs/dbraw/zinc/27/08/40/852270840.db2.gz GXEODBJEBGMAGN-UHFFFAOYSA-N 0 1 393.193 3.826 20 5 GHBDMN CCCCOc1ccc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1OC ZINC000425991772 852328372 /nfs/dbraw/zinc/32/83/72/852328372.db2.gz YKUAKOCXSHBOGB-UHFFFAOYSA-N 0 1 388.468 3.816 20 5 GHBDMN Cc1nnc(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)[nH]1 ZINC000489537035 852428162 /nfs/dbraw/zinc/42/81/62/852428162.db2.gz LLTOFBPHAKLXTF-UHFFFAOYSA-N 0 1 386.799 3.539 20 5 GHBDMN Cc1n[nH]c(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)n1 ZINC000489537035 852428167 /nfs/dbraw/zinc/42/81/67/852428167.db2.gz LLTOFBPHAKLXTF-UHFFFAOYSA-N 0 1 386.799 3.539 20 5 GHBDMN O=C(NCc1ccc(Oc2cccnc2)c(F)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000505931231 852631332 /nfs/dbraw/zinc/63/13/32/852631332.db2.gz WYAOMZYTQGWIRO-UHFFFAOYSA-N 0 1 383.335 3.557 20 5 GHBDMN O=C([O-])c1ccc([N+](=O)[O-])c(N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000517942144 852639665 /nfs/dbraw/zinc/63/96/65/852639665.db2.gz HHFUSGZYJIWOFE-MOPGFXCFSA-N 0 1 395.459 3.784 20 5 GHBDMN Cc1ccc(NC(=O)[C@H](N[C@H]2CSC[C@@H]2C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000507221472 852687141 /nfs/dbraw/zinc/68/71/41/852687141.db2.gz KEWZMJUASYXARC-UCLAIMLFSA-N 0 1 385.489 3.924 20 5 GHBDMN O=C(Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000507285909 852754463 /nfs/dbraw/zinc/75/44/63/852754463.db2.gz VSYQLXRZUYGSLR-UHFFFAOYSA-N 0 1 392.293 3.757 20 5 GHBDMN CC[C@H](c1nnc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)s1)c1ccccc1 ZINC000506334562 852776363 /nfs/dbraw/zinc/77/63/63/852776363.db2.gz YUZQBRAFXYNBFU-HNNXBMFYSA-N 0 1 384.417 3.946 20 5 GHBDMN O=[N+]([O-])c1cc(Br)ccc1NCc1nc(-c2ccc(F)cc2)n[nH]1 ZINC000517190291 853496609 /nfs/dbraw/zinc/49/66/09/853496609.db2.gz ZICUIARIHIPVIE-UHFFFAOYSA-N 0 1 392.188 3.894 20 5 GHBDMN O=[N+]([O-])c1cc(Br)ccc1NCc1n[nH]c(-c2ccc(F)cc2)n1 ZINC000517190291 853496614 /nfs/dbraw/zinc/49/66/14/853496614.db2.gz ZICUIARIHIPVIE-UHFFFAOYSA-N 0 1 392.188 3.894 20 5 GHBDMN COC(=O)c1c(Cl)c(NC[C@H](c2ccsc2)N(C)C)ccc1[N+](=O)[O-] ZINC000590571464 855494263 /nfs/dbraw/zinc/49/42/63/855494263.db2.gz PDXYEISWTQUJFE-CYBMUJFWSA-N 0 1 383.857 3.811 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCc2cccc(F)c2[C@H]1C ZINC000591015000 855722497 /nfs/dbraw/zinc/72/24/97/855722497.db2.gz ALHVMRWPTNFWND-CYBMUJFWSA-N 0 1 387.411 3.690 20 5 GHBDMN COc1ccc(Br)cc1C1(NCc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000592137434 856699698 /nfs/dbraw/zinc/69/96/98/856699698.db2.gz ADOMQBIRJLTUGI-UHFFFAOYSA-N 0 1 393.237 3.850 20 5 GHBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN(C)C[C@@H]2CCC[C@H]2O)cc1OC ZINC000542915787 856784795 /nfs/dbraw/zinc/78/47/95/856784795.db2.gz OOOKLXCCYBRIBM-RLFYNMQTSA-N 0 1 380.485 3.621 20 5 GHBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@@H](Nc2ccccc2)C1 ZINC000245384913 856813278 /nfs/dbraw/zinc/81/32/78/856813278.db2.gz YXOSYHQYQCSBLT-WMLDXEAASA-N 0 1 379.420 3.892 20 5 GHBDMN C[C@@H](CCc1ccc(Br)cc1)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000427909534 856868624 /nfs/dbraw/zinc/86/86/24/856868624.db2.gz ULLQWCLIDFEKFV-NSHDSACASA-N 0 1 393.237 3.814 20 5 GHBDMN COc1ccc(C(=O)N(C(C)C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000592694962 857028095 /nfs/dbraw/zinc/02/80/95/857028095.db2.gz QHLFAMSVXPFLGW-IBGZPJMESA-N 0 1 397.475 3.729 20 5 GHBDMN CCOc1ccc(C(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000173701377 857092366 /nfs/dbraw/zinc/09/23/66/857092366.db2.gz QECHIZMAEFTZRP-IBGZPJMESA-N 0 1 397.475 3.730 20 5 GHBDMN Cc1cnn(-c2cc[nH+]cc2[N-]C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000508259374 857115151 /nfs/dbraw/zinc/11/51/51/857115151.db2.gz NBECQYUYUZGYOG-UHFFFAOYSA-N 0 1 391.309 3.755 20 5 GHBDMN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccc(C(=O)C3CCC3)cc2)c1 ZINC000486064785 857380330 /nfs/dbraw/zinc/38/03/30/857380330.db2.gz CFSKXQCXXKYMRU-UHFFFAOYSA-N 0 1 388.445 3.995 20 5 GHBDMN COc1cccc([C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)N(C)C)c1 ZINC000043342960 857385079 /nfs/dbraw/zinc/38/50/79/857385079.db2.gz RQZAKGNMCGWUOF-KRWDZBQOSA-N 0 1 392.843 3.681 20 5 GHBDMN O=C(NC[C@H]1CCCN(C/C=C\c2ccccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000255236709 857610908 /nfs/dbraw/zinc/61/09/08/857610908.db2.gz LMSLTNKXDHLWOA-RYKGSNAESA-N 0 1 379.460 3.750 20 5 GHBDMN COC(=O)c1cccc(NC2CCN(Cc3ccc(C)c([N+](=O)[O-])c3)CC2)c1 ZINC000521116795 857638000 /nfs/dbraw/zinc/63/80/00/857638000.db2.gz XUPMGGIIAJFJNX-UHFFFAOYSA-N 0 1 383.448 3.766 20 5 GHBDMN O=C(NCc1ccc(F)cc1)C1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255439450 857859299 /nfs/dbraw/zinc/85/92/99/857859299.db2.gz JYSZYFZMALNJAN-HYXAFXHYSA-N 0 1 397.450 3.776 20 5 GHBDMN COC(=O)COc1ccc(CN[C@@H](c2ccccc2F)C(C)C)cc1[N+](=O)[O-] ZINC000594969117 858333324 /nfs/dbraw/zinc/33/33/24/858333324.db2.gz MNCMVUJTHUDULH-HXUWFJFHSA-N 0 1 390.411 3.773 20 5 GHBDMN CCN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@H](C)Cc1ccc(OC)cc1 ZINC000066885551 858336034 /nfs/dbraw/zinc/33/60/34/858336034.db2.gz UXTZBNVUKDPWRN-MRXNPFEDSA-N 0 1 385.464 3.519 20 5 GHBDMN COc1cc(CNC[C@H]2CCC[C@@H](C)O2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000594985308 858358007 /nfs/dbraw/zinc/35/80/07/858358007.db2.gz LDMKNHBHRIFHDG-DGCLKSJQSA-N 0 1 392.374 3.592 20 5 GHBDMN Cn1ccnc1[C@H](NC1CCC2(CC2(F)F)CC1)c1cccc([N+](=O)[O-])c1 ZINC000595097910 858404010 /nfs/dbraw/zinc/40/40/10/858404010.db2.gz NDKFVLQHVMWUHF-BFHRDPOASA-N 0 1 376.407 3.975 20 5 GHBDMN Cc1ccc2nc([C@@H]3CCCN(C(=O)COc4ccccc4[N+](=O)[O-])C3)[nH]c2c1 ZINC000067158748 858458505 /nfs/dbraw/zinc/45/85/05/858458505.db2.gz XTXAPABNWYMMTH-OAHLLOKOSA-N 0 1 394.431 3.565 20 5 GHBDMN COc1ccc(CC[C@H]2CCCCN2Cc2onc(C)c2[N+](=O)[O-])cc1OC ZINC000595309569 858468237 /nfs/dbraw/zinc/46/82/37/858468237.db2.gz WVRCFWMTYMYUND-MRXNPFEDSA-N 0 1 389.452 3.896 20 5 GHBDMN CCCN1Cc2cccc(N[C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)c2C1 ZINC000067453079 858574824 /nfs/dbraw/zinc/57/48/24/858574824.db2.gz BCYCSEAEZOGFGX-FQEVSTJZSA-N 0 1 380.448 3.538 20 5 GHBDMN COc1cccc([C@]2(C)CCN(Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)c1 ZINC000595764471 858663163 /nfs/dbraw/zinc/66/31/63/858663163.db2.gz JGOFLBGAZTXWNN-OAQYLSRUSA-N 0 1 394.431 3.817 20 5 GHBDMN Cc1c(NC(=O)[C@H](C)N2CCC[C@@H]([C@@H]3CCCCO3)C2)cccc1[N+](=O)[O-] ZINC000595786961 858688108 /nfs/dbraw/zinc/68/81/08/858688108.db2.gz DIVUKACZQFPSFL-FCEWJHQRSA-N 0 1 375.469 3.511 20 5 GHBDMN O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c2cccnc21 ZINC000184967552 858767089 /nfs/dbraw/zinc/76/70/89/858767089.db2.gz ALVJMYXUCSVFHD-UHFFFAOYSA-N 0 1 397.334 3.963 20 5 GHBDMN O=[N+]([O-])c1cccc(Br)c1NC1CCN(Cc2ccccn2)CC1 ZINC000596081453 858775832 /nfs/dbraw/zinc/77/58/32/858775832.db2.gz XLMMBHBLCNIXTH-UHFFFAOYSA-N 0 1 391.269 3.829 20 5 GHBDMN O=[N+]([O-])c1cncc(Cl)c1N1CCC(c2cc(-c3ccncc3)[nH]n2)CC1 ZINC000596260773 858845299 /nfs/dbraw/zinc/84/52/99/858845299.db2.gz LRYCAXSFFNYJPX-UHFFFAOYSA-N 0 1 384.827 3.812 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(Cc1ccco1)C[C@H]1CCCO1 ZINC000060090382 858847278 /nfs/dbraw/zinc/84/72/78/858847278.db2.gz RNZWHVYEZFKBOA-GOSISDBHSA-N 0 1 387.436 3.506 20 5 GHBDMN COC[C@H](c1ccc(Cl)cc1)N(C)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000509255852 858850114 /nfs/dbraw/zinc/85/01/14/858850114.db2.gz GNYDQABLQHYNAW-MRXNPFEDSA-N 0 1 388.811 3.584 20 5 GHBDMN CCN(Cc1c[nH]c2ccccc12)[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000190490766 858864957 /nfs/dbraw/zinc/86/49/57/858864957.db2.gz HZWFCKBJJINVMM-CQSZACIVSA-N 0 1 396.447 3.934 20 5 GHBDMN O=[N+]([O-])c1cc(Br)ccc1NC1CCN(Cc2cccnc2)CC1 ZINC000429315960 859011074 /nfs/dbraw/zinc/01/10/74/859011074.db2.gz HNDQBUWRZOKPGY-UHFFFAOYSA-N 0 1 391.269 3.829 20 5 GHBDMN Cc1ccc([C@@H](C)N[C@@H](Cc2ccccc2)C(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000131028370 859060056 /nfs/dbraw/zinc/06/00/56/859060056.db2.gz SAVCNABRNAFWIK-XLIONFOSSA-N 0 1 381.476 3.788 20 5 GHBDMN COC(=O)c1cc(NCc2ccc(CN(C)C)c(F)c2)cc(C)c1[N+](=O)[O-] ZINC000536497934 859094933 /nfs/dbraw/zinc/09/49/33/859094933.db2.gz QHURMLSSHWDPKP-UHFFFAOYSA-N 0 1 375.400 3.503 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1CN[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000543635288 859140322 /nfs/dbraw/zinc/14/03/22/859140322.db2.gz OZRKPBYAYHWZBG-PKOBYXMFSA-N 0 1 391.830 3.757 20 5 GHBDMN O=C(NC[C@H]1CCN1Cc1ccccc1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000596955484 859193375 /nfs/dbraw/zinc/19/33/75/859193375.db2.gz RALBZJUWURWKHJ-OAQYLSRUSA-N 0 1 394.475 3.543 20 5 GHBDMN C[C@H](CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1c[nH]c2ccccc21 ZINC000429414335 859309906 /nfs/dbraw/zinc/30/99/06/859309906.db2.gz BKPJBRPDFUMUBJ-GFCCVEGCSA-N 0 1 390.403 3.994 20 5 GHBDMN COC(=O)[C@@H]1C[C@H](C(F)(F)F)CN(C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000597181483 859340138 /nfs/dbraw/zinc/34/01/38/859340138.db2.gz HJHSCPUJFZILPZ-KOHOMEMWSA-N 0 1 386.370 3.672 20 5 GHBDMN COc1cc(CN2C[C@H]3COC[C@@]3(C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000597209908 859348605 /nfs/dbraw/zinc/34/86/05/859348605.db2.gz FMUVEUUDJYGHNU-PGRDOPGGSA-N 0 1 398.459 3.651 20 5 GHBDMN C[C@]1(c2ccc(F)cc2)CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000483415190 859348912 /nfs/dbraw/zinc/34/89/12/859348912.db2.gz VXVSSYBQCKBNEI-FQEVSTJZSA-N 0 1 382.395 3.948 20 5 GHBDMN O=C1CC[C@H]2CN(Cc3ccc(Oc4ccc(F)cc4)c([N+](=O)[O-])c3)CC[C@@H]2N1 ZINC000597204656 859359733 /nfs/dbraw/zinc/35/97/33/859359733.db2.gz CEZYVLYTRAXCRB-YJBOKZPZSA-N 0 1 399.422 3.627 20 5 GHBDMN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000117573526 859519744 /nfs/dbraw/zinc/51/97/44/859519744.db2.gz JMJKUKPLBNZXBW-KRWDZBQOSA-N 0 1 391.855 3.727 20 5 GHBDMN O=C(N[C@@H]1CCc2nc[nH]c2C1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000611213821 859645530 /nfs/dbraw/zinc/64/55/30/859645530.db2.gz QUARLYYUYMBNRG-GFCCVEGCSA-N 0 1 386.477 3.640 20 5 GHBDMN Cc1ccc(NC(=O)NC(=O)CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1C ZINC000611404513 859738832 /nfs/dbraw/zinc/73/88/32/859738832.db2.gz RTKCMMKASUFSJD-HNNXBMFYSA-N 0 1 384.436 3.519 20 5 GHBDMN CCN(Cc1cccc(Br)c1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000499855157 860031539 /nfs/dbraw/zinc/03/15/39/860031539.db2.gz FOEMOFANUXDLPW-UHFFFAOYSA-N 0 1 379.210 3.725 20 5 GHBDMN Cc1c(CN2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)cccc1[N+](=O)[O-] ZINC000054217466 860033130 /nfs/dbraw/zinc/03/31/30/860033130.db2.gz VCDYJTOGWNLXBK-UHFFFAOYSA-N 0 1 388.855 3.802 20 5 GHBDMN Cc1ccc(C(C)C)c(Oc2ccc(CNCC(=O)N(C)C)cc2[N+](=O)[O-])c1 ZINC000060844117 860175029 /nfs/dbraw/zinc/17/50/29/860175029.db2.gz KUYMKRZXDFKOCW-UHFFFAOYSA-N 0 1 385.464 3.997 20 5 GHBDMN COc1ccc([C@H](CNc2ncc([N+](=O)[O-])cc2Cl)N2CCCC2)cc1 ZINC000301280150 860434087 /nfs/dbraw/zinc/43/40/87/860434087.db2.gz NSBONOONLDUMEL-KRWDZBQOSA-N 0 1 376.844 3.901 20 5 GHBDMN CC(=O)c1ccc(NCCCN2CCN(C)C[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000025570993 860637833 /nfs/dbraw/zinc/63/78/33/860637833.db2.gz BFLBMCOGMMMXEP-JOCHJYFZSA-N 0 1 396.491 3.588 20 5 GHBDMN Cc1cc(C)c(C(=O)NC2CCN(C/C=C\c3ccccc3[N+](=O)[O-])CC2)o1 ZINC000598930120 860686688 /nfs/dbraw/zinc/68/66/88/860686688.db2.gz OZCMTEAOWVXNTF-ALCCZGGFSA-N 0 1 383.448 3.712 20 5 GHBDMN C[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1csc2ccccc21 ZINC000730018978 860840972 /nfs/dbraw/zinc/84/09/72/860840972.db2.gz YMCQLTHKCAJFHR-SNVBAGLBSA-N 0 1 380.422 3.988 20 5 GHBDMN CC(C)(C)c1nnc(NC(=O)c2c(Br)cccc2[N+](=O)[O-])s1 ZINC000599142744 860850739 /nfs/dbraw/zinc/85/07/39/860850739.db2.gz KJVLBDHDAGGYGH-UHFFFAOYSA-N 0 1 385.243 3.759 20 5 GHBDMN CCc1[nH]nc(C(=O)N(Cc2ccc(Br)cc2)C(C)C)c1[N+](=O)[O-] ZINC000444017262 863156254 /nfs/dbraw/zinc/15/62/54/863156254.db2.gz DERXJOKHBBRMCY-UHFFFAOYSA-N 0 1 395.257 3.694 20 5 GHBDMN COc1cc(CNc2ccc(C(=O)Nc3cccnc3)cc2)cc([N+](=O)[O-])c1O ZINC000428322140 863171927 /nfs/dbraw/zinc/17/19/27/863171927.db2.gz CUCHYLKSOUPDHQ-UHFFFAOYSA-N 0 1 394.387 3.568 20 5 GHBDMN Cc1ccc2nc([C@@H]3CCCN(C(=O)Cc4ccc([N+](=O)[O-])cc4)C3)[nH]c2c1 ZINC000159984615 863221057 /nfs/dbraw/zinc/22/10/57/863221057.db2.gz YYLFJSWNGXDFIT-MRXNPFEDSA-N 0 1 378.432 3.728 20 5 GHBDMN CCN1CCC[C@H]1CN(C)C(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444110503 863442322 /nfs/dbraw/zinc/44/23/22/863442322.db2.gz QOZIXNMAFWSTTH-AWEZNQCLSA-N 0 1 399.441 3.516 20 5 GHBDMN O=[N+]([O-])c1cn(CN(CCc2cccc(F)c2)C2CC2)nc1-c1ccncc1 ZINC000172903892 864103774 /nfs/dbraw/zinc/10/37/74/864103774.db2.gz RPIMUMWGONYOFL-UHFFFAOYSA-N 0 1 381.411 3.657 20 5 GHBDMN CCc1[nH]nc(C(=O)N2CCc3ccccc3[C@@H]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000444322316 864225790 /nfs/dbraw/zinc/22/57/90/864225790.db2.gz VCZZSOUVNBTMEK-IBGZPJMESA-N 0 1 390.443 3.863 20 5 GHBDMN CN(C)[C@H](CNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1ccsc1 ZINC000025815013 864313563 /nfs/dbraw/zinc/31/35/63/864313563.db2.gz AEUKMBOIRLGVMM-QGZVFWFLSA-N 0 1 375.494 3.987 20 5 GHBDMN COc1ccc2oc([C@H](C)NCC(=O)N(C)c3ccc([N+](=O)[O-])cc3)c(C)c2c1 ZINC000184342164 864357029 /nfs/dbraw/zinc/35/70/29/864357029.db2.gz GRLAQMDJTJPDDO-AWEZNQCLSA-N 0 1 397.431 3.972 20 5 GHBDMN COc1ccc(-c2cc(C(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)n[nH]2)cc1 ZINC000129731561 864580482 /nfs/dbraw/zinc/58/04/82/864580482.db2.gz QHFZITIADKDJHN-UHFFFAOYSA-N 0 1 392.415 3.798 20 5 GHBDMN C[C@]12CCCN1C[C@@H](c1noc(-c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)n1)OC2 ZINC000520458243 881794308 /nfs/dbraw/zinc/79/43/08/881794308.db2.gz NKSDMZDCQPCZBK-XJKSGUPXSA-N 0 1 398.341 3.589 20 5 GHBDMN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475306951 864746203 /nfs/dbraw/zinc/74/62/03/864746203.db2.gz WUCMFCKRTWNLRV-APWZRJJASA-N 0 1 399.516 3.808 20 5 GHBDMN COc1cccc(NCc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)c1[N+](=O)[O-] ZINC000475348546 864825306 /nfs/dbraw/zinc/82/53/06/864825306.db2.gz DAZDVECFNFJODN-IYBDPMFKSA-N 0 1 385.464 3.825 20 5 GHBDMN COc1cc(C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)cc([N+](=O)[O-])c1OC ZINC000533970479 865107979 /nfs/dbraw/zinc/10/79/79/865107979.db2.gz HYKVURXBYXFSPR-UHFFFAOYSA-N 0 1 392.318 3.678 20 5 GHBDMN CC[C@@H](C)c1nc([C@H](C)NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000487472175 865272635 /nfs/dbraw/zinc/27/26/35/865272635.db2.gz VZZAWUAHJRKJFO-KGLIPLIRSA-N 0 1 388.472 3.610 20 5 GHBDMN Cc1ccc([C@@H](CNC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)N2CCCC2)o1 ZINC000185164370 865637435 /nfs/dbraw/zinc/63/74/35/865637435.db2.gz DBMRKDNODOUYNW-KBXCAEBGSA-N 0 1 389.427 3.692 20 5 GHBDMN Cc1ccc([C@H](CNC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)N2CCCC2)o1 ZINC000185164385 865637768 /nfs/dbraw/zinc/63/77/68/865637768.db2.gz DBMRKDNODOUYNW-KSSFIOAISA-N 0 1 389.427 3.692 20 5 GHBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCc2ccc(O)cc2CC1 ZINC000608866599 865766557 /nfs/dbraw/zinc/76/65/57/865766557.db2.gz CIIGRVVJDSIRCI-ZDUSSCGKSA-N 0 1 380.404 3.512 20 5 GHBDMN O=C(Nc1cnn(-c2ccncc2)c1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000608900840 865803372 /nfs/dbraw/zinc/80/33/72/865803372.db2.gz QNNCVHWNJMGNEU-UHFFFAOYSA-N 0 1 392.400 3.551 20 5 GHBDMN O=C(NCc1nc2ccc(F)cc2[nH]1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000174461068 865811695 /nfs/dbraw/zinc/81/16/95/865811695.db2.gz KLHVNGVBYHIVIX-UHFFFAOYSA-N 0 1 397.410 3.531 20 5 GHBDMN O=C(OCc1csc([N+](=O)[O-])c1)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000741327946 866409055 /nfs/dbraw/zinc/40/90/55/866409055.db2.gz RDQZAVDTJLNSCV-HNNXBMFYSA-N 0 1 378.425 3.751 20 5 GHBDMN O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CCN(C2CCCCC2)CC1 ZINC000478773743 866613744 /nfs/dbraw/zinc/61/37/44/866613744.db2.gz OXSASGLNPGKONC-UHFFFAOYSA-N 0 1 385.386 3.704 20 5 GHBDMN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCc1nc2ccc(F)cc2[nH]1 ZINC000183393533 866669130 /nfs/dbraw/zinc/66/91/30/866669130.db2.gz WSBWUYYFTQOARS-UHFFFAOYSA-N 0 1 394.815 3.672 20 5 GHBDMN CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CCCCN1Cc1ccccc1 ZINC000553060292 866721783 /nfs/dbraw/zinc/72/17/83/866721783.db2.gz GCIGSIIUFBTAAV-OAQYLSRUSA-N 0 1 381.476 3.650 20 5 GHBDMN O=[N+]([O-])c1cn(CN2CCC[C@H]2Cc2ccc(F)cc2)nc1-c1ccncc1 ZINC000742146682 867079716 /nfs/dbraw/zinc/07/97/16/867079716.db2.gz WGMLDRTYWJSHSB-SFHVURJKSA-N 0 1 381.411 3.657 20 5 GHBDMN Cc1cc(C)cc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)c1 ZINC000742231353 867145999 /nfs/dbraw/zinc/14/59/99/867145999.db2.gz ASPKXHSTRPTERC-UHFFFAOYSA-N 0 1 385.239 3.775 20 5 GHBDMN C[C@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccc(Br)s1 ZINC000444760739 867158864 /nfs/dbraw/zinc/15/88/64/867158864.db2.gz KUKQDSFGWDUNMV-JTQLQIEISA-N 0 1 398.282 3.732 20 5 GHBDMN CN(C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21)C1CCN(CCC(F)(F)F)CC1 ZINC000457089964 867644180 /nfs/dbraw/zinc/64/41/80/867644180.db2.gz UIWHCAIOHIXSRM-UHFFFAOYSA-N 0 1 398.385 3.565 20 5 GHBDMN COc1ccc(-c2ccc(CN[C@@H](C)c3n[nH]c(C(C)C)n3)o2)c([N+](=O)[O-])c1 ZINC000534975197 867858806 /nfs/dbraw/zinc/85/88/06/867858806.db2.gz FQTGQMKOFADLMB-LBPRGKRZSA-N 0 1 385.424 3.956 20 5 GHBDMN CN(C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)c1ccc(Cl)cc1 ZINC000535023311 867980919 /nfs/dbraw/zinc/98/09/19/867980919.db2.gz OGKCCCZFNQNLTH-GOSISDBHSA-N 0 1 398.850 3.829 20 5 GHBDMN COc1ccc2c(c1)CCC[C@@H]2N(C)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000554007481 868593460 /nfs/dbraw/zinc/59/34/60/868593460.db2.gz YPZQMVFQTFCDDL-SFHVURJKSA-N 0 1 380.404 3.629 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(Cc2noc(-c3cc(Cl)c(O)c(OC)c3)n2)c1 ZINC000445577113 868694314 /nfs/dbraw/zinc/69/43/14/868694314.db2.gz ZXABJKXSHXQMFQ-UHFFFAOYSA-N 0 1 391.767 3.612 20 5 GHBDMN COc1ccc(CN2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)cc1[N+](=O)[O-] ZINC000539764960 869744228 /nfs/dbraw/zinc/74/42/28/869744228.db2.gz FHIKRASPZVAODG-QGZVFWFLSA-N 0 1 393.447 3.768 20 5 GHBDMN O=C(CN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21)Nc1ccc(F)c(F)c1F ZINC000192602681 882334929 /nfs/dbraw/zinc/33/49/29/882334929.db2.gz BKGVRNKQJVJNKN-CQSZACIVSA-N 0 1 379.338 3.618 20 5 GHBDMN COc1cc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)ccc1F ZINC000191001218 882337611 /nfs/dbraw/zinc/33/76/11/882337611.db2.gz ATCZTOGJEUDLDO-UHFFFAOYSA-N 0 1 394.302 3.562 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2ccc(CN3CCC([C@@H](O)C(F)(F)F)CC3)o2)cc1 ZINC000539850636 869897243 /nfs/dbraw/zinc/89/72/43/869897243.db2.gz JOKFVDMQUHQDOS-QGZVFWFLSA-N 0 1 384.354 3.990 20 5 GHBDMN C[C@@H]1C[C@H]1N1C[C@@H](NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1=O ZINC000462745285 870013198 /nfs/dbraw/zinc/01/31/98/870013198.db2.gz KBSKGHSIWPIQSY-RPVQJOFSSA-N 0 1 399.422 3.625 20 5 GHBDMN CCOc1ccc([C@H](C)NCc2cccc(N3CCCC3=O)c2)cc1[N+](=O)[O-] ZINC000152903152 870368929 /nfs/dbraw/zinc/36/89/29/870368929.db2.gz ARYVBAXMBGWYBI-HNNXBMFYSA-N 0 1 383.448 3.971 20 5 GHBDMN C[C@@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1cc2cccc(F)c2o1 ZINC000475706556 882440166 /nfs/dbraw/zinc/44/01/66/882440166.db2.gz AJLPXNKSAPMNNQ-GFCCVEGCSA-N 0 1 383.379 3.720 20 5 GHBDMN COC(=O)[C@H]1CCCC[C@@]1(C)NCc1cccc([N+](=O)[O-])c1Br ZINC001193032017 870855396 /nfs/dbraw/zinc/85/53/96/870855396.db2.gz ASHMHAIIUMZNCK-MLGOLLRUSA-N 0 1 385.258 3.569 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000181345764 870887145 /nfs/dbraw/zinc/88/71/45/870887145.db2.gz BGABXPJAVCNSJR-INIZCTEOSA-N 0 1 391.431 3.708 20 5 GHBDMN O=C(Nc1n[nH]c(-c2cc(Cl)ccc2Cl)n1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000463175060 871040491 /nfs/dbraw/zinc/04/04/91/871040491.db2.gz VOVIVFYURPOCGN-UHFFFAOYSA-N 0 1 394.174 3.645 20 5 GHBDMN COc1ccc2c(c1)C[C@H](C)N(CCOc1ccc(OC)cc1[N+](=O)[O-])[C@H]2C ZINC001169152526 871264692 /nfs/dbraw/zinc/26/46/92/871264692.db2.gz LRKNMUIPBOAEDB-GJZGRUSLSA-N 0 1 386.448 3.999 20 5 GHBDMN COc1ccc(Cl)cc1CNC(=O)CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181819618 871505839 /nfs/dbraw/zinc/50/58/39/871505839.db2.gz REOFGPMZPIPQTP-CYBMUJFWSA-N 0 1 391.855 3.532 20 5 GHBDMN O=c1ccc([N+](=O)[O-])cn1CCNC1(c2c(Cl)cccc2Cl)CCC1 ZINC000447387855 871518650 /nfs/dbraw/zinc/51/86/50/871518650.db2.gz VCHQCONOYBVCFH-UHFFFAOYSA-N 0 1 382.247 3.732 20 5 GHBDMN Cc1ccc([C@H](C)NCC(=O)N(C)Cc2ccc(Cl)s2)cc1[N+](=O)[O-] ZINC000181839971 871537150 /nfs/dbraw/zinc/53/71/50/871537150.db2.gz SIGYSOIBGPIXGZ-LBPRGKRZSA-N 0 1 381.885 3.927 20 5 GHBDMN COc1cccc([C@H](CNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])N2CCCC2)c1 ZINC000804327506 871541907 /nfs/dbraw/zinc/54/19/07/871541907.db2.gz QPMRZBGZAXLQRO-SFHVURJKSA-N 0 1 386.408 3.761 20 5 GHBDMN CSc1cccc(C(=O)N[C@H]2CN(Cc3ccccc3)CC[C@H]2C)c1[N+](=O)[O-] ZINC001169537858 871615424 /nfs/dbraw/zinc/61/54/24/871615424.db2.gz BYPHSTVFUIEOMT-QAPCUYQASA-N 0 1 399.516 3.957 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C)c1ccccc1C(F)(F)F ZINC000539357774 871754293 /nfs/dbraw/zinc/75/42/93/871754293.db2.gz IFYFOEFHTDCCIS-LLVKDONJSA-N 0 1 397.353 3.912 20 5 GHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H](c2ccc(F)cc2)C2CCC2)cc1 ZINC000182153367 871955499 /nfs/dbraw/zinc/95/54/99/871955499.db2.gz OLGOQOWYDIOUDL-LJQANCHMSA-N 0 1 392.452 3.639 20 5 GHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H](c2ccc(F)cc2)C2CCC2)cc1 ZINC000182153386 871956104 /nfs/dbraw/zinc/95/61/04/871956104.db2.gz OLGOQOWYDIOUDL-IBGZPJMESA-N 0 1 392.452 3.639 20 5 GHBDMN COc1cc(NC[C@H](c2ccco2)N2CCCCC2)c([N+](=O)[O-])cc1OC ZINC000766928839 872079147 /nfs/dbraw/zinc/07/91/47/872079147.db2.gz VLUYIRJZQBEDPI-MRXNPFEDSA-N 0 1 375.425 3.844 20 5 GHBDMN Cc1ccc(-c2cc(=NC(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)[nH][nH]2)o1 ZINC000447802733 872288611 /nfs/dbraw/zinc/28/86/11/872288611.db2.gz NIADCWQORMOVBK-UHFFFAOYSA-N 0 1 384.395 3.647 20 5 GHBDMN C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](Oc2cncc(Br)c2)C1 ZINC001195575162 872480310 /nfs/dbraw/zinc/48/03/10/872480310.db2.gz ALLZAEOINQRZJA-GXTWGEPZSA-N 0 1 392.253 3.967 20 5 GHBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H](Oc2cncc(Br)c2)C1 ZINC001195575162 872480317 /nfs/dbraw/zinc/48/03/17/872480317.db2.gz ALLZAEOINQRZJA-GXTWGEPZSA-N 0 1 392.253 3.967 20 5 GHBDMN Cc1ccc(NC(=O)[C@H](N[C@@H]2[C@H](C)O[C@H](C)[C@H]2C)c2ccccc2)c([N+](=O)[O-])c1 ZINC001196886863 873429795 /nfs/dbraw/zinc/42/97/95/873429795.db2.gz CGPVBOOBYPMYRG-SVZQKNBGSA-N 0 1 397.475 3.985 20 5 GHBDMN CN(C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)c1ccc(Cl)cc1 ZINC000768717880 873516830 /nfs/dbraw/zinc/51/68/30/873516830.db2.gz YKEIWJLOLGGRNN-MRXNPFEDSA-N 0 1 382.247 3.934 20 5 GHBDMN O=C(CN1CCCC[C@H](C2CCOCC2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC001197285434 873713131 /nfs/dbraw/zinc/71/31/31/873713131.db2.gz QFLDOVGHGBLGNQ-HNNXBMFYSA-N 0 1 395.887 3.715 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@@H]3CCCCS3(=O)=O)o2)c(Cl)c1 ZINC000541553710 873858558 /nfs/dbraw/zinc/85/85/58/873858558.db2.gz UEAAXOPBWQOYOI-AWEZNQCLSA-N 0 1 398.868 3.565 20 5 GHBDMN CCOc1cc(CN(CC)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC001197672601 873960898 /nfs/dbraw/zinc/96/08/98/873960898.db2.gz RTLHJKQSJZFOER-MRXNPFEDSA-N 0 1 393.484 3.825 20 5 GHBDMN NC(=O)c1ccc(N2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)c([N+](=O)[O-])c1 ZINC000428713328 882781308 /nfs/dbraw/zinc/78/13/08/882781308.db2.gz SBXVUIVIABDSBI-OAHLLOKOSA-N 0 1 385.811 3.565 20 5 GHBDMN O=S(=O)(Nc1cccc2nc3ccccc3nc21)c1ccc2nccnc2c1 ZINC001198152235 874249236 /nfs/dbraw/zinc/24/92/36/874249236.db2.gz DVOFMXKBEQLXBW-UHFFFAOYSA-N 0 1 387.424 3.527 20 5 GHBDMN CCc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(CN2CCSCC2)cc1 ZINC000464721623 874347722 /nfs/dbraw/zinc/34/77/22/874347722.db2.gz YFKMEHTXNSOPAH-UHFFFAOYSA-N 0 1 385.489 3.958 20 5 GHBDMN Cc1ccc(-c2n[nH]c(SCC(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000053479331 874600791 /nfs/dbraw/zinc/60/07/91/874600791.db2.gz LKRFBLUYMNQWLH-ZDUSSCGKSA-N 0 1 397.460 3.658 20 5 GHBDMN COc1ccccc1-c1noc([C@H](C)N[C@H](C)Cc2ccccc2[N+](=O)[O-])n1 ZINC000449278846 874663777 /nfs/dbraw/zinc/66/37/77/874663777.db2.gz MJGHNCXOEUKHFW-KGLIPLIRSA-N 0 1 382.420 3.935 20 5 GHBDMN C[C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000785868488 876313981 /nfs/dbraw/zinc/31/39/81/876313981.db2.gz GOAXLXFVEXVQRO-HNNXBMFYSA-N 0 1 399.495 3.753 20 5 GHBDMN CCc1[nH]n(Cc2ccccc2C)c(=O)c1CCNc1nccc(C)c1[N+](=O)[O-] ZINC000450721310 876785220 /nfs/dbraw/zinc/78/52/20/876785220.db2.gz WTWJEYBDOGJZIF-QGZVFWFLSA-N 0 1 395.463 3.833 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@H](NC(=O)OC(C)(C)C)C1CC1 ZINC000850449887 876933652 /nfs/dbraw/zinc/93/36/52/876933652.db2.gz WRTBHXZUKZAYHG-LRDDRELGSA-N 0 1 379.457 3.557 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@@H](O)c1cccc(Br)c1 ZINC000850468005 876947442 /nfs/dbraw/zinc/94/74/42/876947442.db2.gz XBUBEEUXGGXNCI-BDJLRTHQSA-N 0 1 395.253 3.750 20 5 GHBDMN Cc1ccc2nc([C@@H]3CCCN3CC(=O)Nc3ccc([N+](=O)[O-])cc3C)[nH]c2c1 ZINC000451011480 877230855 /nfs/dbraw/zinc/23/08/55/877230855.db2.gz CVPMCVKLPSDAJT-IBGZPJMESA-N 0 1 393.447 3.864 20 5 GHBDMN COc1cc(CNCc2cc(C)[nH]n2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000610009989 877282771 /nfs/dbraw/zinc/28/27/71/877282771.db2.gz ONYSSFPBOYDRGP-UHFFFAOYSA-N 0 1 382.420 3.504 20 5 GHBDMN COc1cccc([C@H](CNC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])N(C)C)c1 ZINC000477285176 877358841 /nfs/dbraw/zinc/35/88/41/877358841.db2.gz BQPSUOGMORFHKH-KRWDZBQOSA-N 0 1 391.855 3.598 20 5 GHBDMN CC[C@](C)(O)CN(Cc1ccccc1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000615283886 877594234 /nfs/dbraw/zinc/59/42/34/877594234.db2.gz RNSCQTFGGUOKQK-NRFANRHFSA-N 0 1 386.448 3.529 20 5 GHBDMN COc1cc(CN[C@H](CCO)c2cccc(C(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000451304719 877778495 /nfs/dbraw/zinc/77/84/95/877778495.db2.gz JEEQNKLXPVTKCC-OAHLLOKOSA-N 0 1 384.354 3.836 20 5 GHBDMN O=C([O-])/C=C\c1ccc(OCC[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000851708733 877873106 /nfs/dbraw/zinc/87/31/06/877873106.db2.gz LWWONFUPKONTGM-RSSRPAAFSA-N 0 1 396.443 3.951 20 5 GHBDMN CCCN(Cc1onc(C)c1[N+](=O)[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000851817689 877926164 /nfs/dbraw/zinc/92/61/64/877926164.db2.gz YWVUQZYKVZKRAC-UHFFFAOYSA-N 0 1 382.461 3.503 20 5 GHBDMN CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000285447857 912294076 /nfs/dbraw/zinc/29/40/76/912294076.db2.gz IPFPYJJGTYEBJQ-NVXWUHKLSA-N 0 1 388.493 3.501 20 5 GHBDMN C[C@H](C(=O)c1c[nH]c2ncccc12)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451545204 878117451 /nfs/dbraw/zinc/11/74/51/878117451.db2.gz HAEPNSJHUKFHEF-ZBFHGGJFSA-N 0 1 378.432 3.922 20 5 GHBDMN O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1C(F)(F)F ZINC000537753493 878241988 /nfs/dbraw/zinc/24/19/88/878241988.db2.gz TXQGQZFXLFMBJO-UHFFFAOYSA-N 0 1 382.266 3.693 20 5 GHBDMN Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CC[C@H](CCCO)C2)c([N+](=O)[O-])c1 ZINC000452121920 878969936 /nfs/dbraw/zinc/96/99/36/878969936.db2.gz HCLFTSIGDWKWCZ-LAUBAEHRSA-N 0 1 397.475 3.677 20 5 GHBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(C(=O)NCCc2cccs2)CC1 ZINC000068827632 879080901 /nfs/dbraw/zinc/08/09/01/879080901.db2.gz GPHDAPBNFVELFH-OAHLLOKOSA-N 0 1 387.505 3.788 20 5 GHBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)CN(C)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000789595032 879104454 /nfs/dbraw/zinc/10/44/54/879104454.db2.gz QLJZEKUTQIFALU-ZDJZVTAXSA-N 0 1 379.460 3.731 20 5 GHBDMN CC1(C)CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)[C@H]1c1cccnc1 ZINC000452238766 879180760 /nfs/dbraw/zinc/18/07/60/879180760.db2.gz ATKNAXGFXVZVPN-SFHVURJKSA-N 0 1 377.404 3.603 20 5 GHBDMN COc1ccc(-c2n[nH]c(Sc3ccc(F)cc3[N+](=O)[O-])n2)c(OC)c1 ZINC000069000503 879399237 /nfs/dbraw/zinc/39/92/37/879399237.db2.gz GZGRPKPANDTZOW-UHFFFAOYSA-N 0 1 376.369 3.687 20 5 GHBDMN CCOc1ccc2nc(SCC(=O)N3CCc4ccc([N+](=O)[O-])cc43)[nH]c2c1 ZINC000031308824 879411344 /nfs/dbraw/zinc/41/13/44/879411344.db2.gz ZHEDWBBUYHRMNK-UHFFFAOYSA-N 0 1 398.444 3.551 20 5 GHBDMN CCOc1ccc2nc(SCCC(=O)Nc3ccccc3[N+](=O)[O-])[nH]c2c1 ZINC000031308542 879411529 /nfs/dbraw/zinc/41/15/29/879411529.db2.gz ONLZSCPDZPQRJF-UHFFFAOYSA-N 0 1 386.433 3.991 20 5 GHBDMN O=C1C[C@@H](NCc2ccc([N+](=O)[O-])cc2)CN1c1cccc(C(F)(F)F)c1 ZINC000538413169 879456485 /nfs/dbraw/zinc/45/64/85/879456485.db2.gz YZWAKWZLDNRMNC-CQSZACIVSA-N 0 1 379.338 3.509 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N(Cc2ccccc2)[C@H]2COC(C)(C)C2)c1[N+](=O)[O-] ZINC000597935081 879546209 /nfs/dbraw/zinc/54/62/09/879546209.db2.gz QJRROXUIDXOYBE-OAHLLOKOSA-N 0 1 386.452 3.651 20 5 GHBDMN Cc1sc(C(=O)N2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)cc1[N+](=O)[O-] ZINC000152692518 879588492 /nfs/dbraw/zinc/58/84/92/879588492.db2.gz MVOVCNOYTBVUPW-CYBMUJFWSA-N 0 1 383.433 3.727 20 5 GHBDMN Cc1sc(C(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)cc1[N+](=O)[O-] ZINC000152692518 879588506 /nfs/dbraw/zinc/58/85/06/879588506.db2.gz MVOVCNOYTBVUPW-CYBMUJFWSA-N 0 1 383.433 3.727 20 5 GHBDMN CSc1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)c1 ZINC000790381879 879651575 /nfs/dbraw/zinc/65/15/75/879651575.db2.gz FZFYQLLOBQNCTE-UHFFFAOYSA-N 0 1 397.434 3.643 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N(C)Cc1cccc2[nH]ccc21 ZINC000494045566 879850912 /nfs/dbraw/zinc/85/09/12/879850912.db2.gz BBRSRFBNELJKPS-ZDUSSCGKSA-N 0 1 382.420 3.544 20 5 GHBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCCc1cccc(Cl)c1Cl ZINC000520154817 879899934 /nfs/dbraw/zinc/89/99/34/879899934.db2.gz AWYYRCCCCFBEPW-UHFFFAOYSA-N 0 1 393.223 3.562 20 5 GHBDMN Cc1c(CN[C@@H](C)c2ccc(S(=O)(=O)C(F)F)cc2)cccc1[N+](=O)[O-] ZINC000790696608 879932102 /nfs/dbraw/zinc/93/21/02/879932102.db2.gz UORQWMWNHRERTC-LBPRGKRZSA-N 0 1 384.404 3.750 20 5 GHBDMN O=C(Nc1ccc2nc(-c3ccccn3)[nH]c2c1)c1cc(F)ccc1[N+](=O)[O-] ZINC000114340905 881297592 /nfs/dbraw/zinc/29/75/92/881297592.db2.gz VOEFZAVOKCYHKI-UHFFFAOYSA-N 0 1 377.335 3.925 20 5 GHBDMN O=C(NCc1nc2ccc(Cl)cc2[nH]1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000609489529 883252438 /nfs/dbraw/zinc/25/24/38/883252438.db2.gz QKEFSOFRGHSLBP-UHFFFAOYSA-N 0 1 385.811 3.629 20 5 GHBDMN C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000609535258 883323571 /nfs/dbraw/zinc/32/35/71/883323571.db2.gz BHJAJJNETLACLW-SNVBAGLBSA-N 0 1 392.337 3.851 20 5 GHBDMN COCc1cc([N+](=O)[O-])ccc1N1CCN([C@H](C)c2cccc(OC)c2)CC1 ZINC000747216625 883384872 /nfs/dbraw/zinc/38/48/72/883384872.db2.gz XRXUZVDBKQQXCH-MRXNPFEDSA-N 0 1 385.464 3.633 20 5 GHBDMN C[C@@H](CNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000914571874 884177964 /nfs/dbraw/zinc/17/79/64/884177964.db2.gz OAESYBAZXISKTQ-VIHMKRCTSA-N 0 1 381.432 3.551 20 5 GHBDMN C[C@@]12CCCN1C[C@@H](c1noc(-c3cc([N+](=O)[O-])ccc3C(F)(F)F)n1)OC2 ZINC000556341505 884501882 /nfs/dbraw/zinc/50/18/82/884501882.db2.gz UNWZHBXQAXKJRT-BBRMVZONSA-N 0 1 398.341 3.589 20 5 GHBDMN COc1cc(S(=O)(=O)Nc2cc(-c3cccnc3)ccc2C)ccc1[N+](=O)[O-] ZINC000475826462 884513617 /nfs/dbraw/zinc/51/36/17/884513617.db2.gz CIPGOVBPBOWMSR-UHFFFAOYSA-N 0 1 399.428 3.775 20 5 GHBDMN Cc1cc(C(=O)N2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)cc([N+](=O)[O-])c1 ZINC000127872164 884909375 /nfs/dbraw/zinc/90/93/75/884909375.db2.gz WDNATMUFOUVQIZ-KRWDZBQOSA-N 0 1 377.404 3.666 20 5 GHBDMN Cc1cc(C(=O)N2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)cc([N+](=O)[O-])c1 ZINC000127872164 884909391 /nfs/dbraw/zinc/90/93/91/884909391.db2.gz WDNATMUFOUVQIZ-KRWDZBQOSA-N 0 1 377.404 3.666 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000153396754 885061071 /nfs/dbraw/zinc/06/10/71/885061071.db2.gz AUCIDVQXFOBZJK-QRWLVFNGSA-N 0 1 383.448 3.872 20 5 GHBDMN Cc1cc(-c2noc([C@H]3CC(c4ccccc4[N+](=O)[O-])=NO3)n2)cc2nc[nH]c21 ZINC000762171040 885552572 /nfs/dbraw/zinc/55/25/72/885552572.db2.gz BYZVJWNEJJDODA-MRXNPFEDSA-N 0 1 390.359 3.695 20 5 GHBDMN COc1ccc(C[C@H](C)CN[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000556883628 886443808 /nfs/dbraw/zinc/44/38/08/886443808.db2.gz FZGLJYUAKMQPEL-KKSFZXQISA-N 0 1 394.475 3.895 20 5 GHBDMN C[C@H](NCCOc1ccc([N+](=O)[O-])cc1)c1cc(Br)ncc1F ZINC000762760969 886804703 /nfs/dbraw/zinc/80/47/03/886804703.db2.gz IIRVSNDMFZFZOE-JTQLQIEISA-N 0 1 384.205 3.621 20 5 GHBDMN C[C@@H](CCCC(F)(F)F)NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795953081 913107113 /nfs/dbraw/zinc/10/71/13/913107113.db2.gz MSCKCALDFJIXJU-ZETCQYMHSA-N 0 1 392.758 3.787 20 5 GHBDMN C[C@H]1CCNC(=O)[C@H]1NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000193695345 887262071 /nfs/dbraw/zinc/26/20/71/887262071.db2.gz KRPXWYGSDLAVMB-SGTLLEGYSA-N 0 1 389.839 3.655 20 5 GHBDMN CC(C)[C@@H](CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC000272565315 887770201 /nfs/dbraw/zinc/77/02/01/887770201.db2.gz UUOYUMIXQVIHDA-WOJBJXKFSA-N 0 1 379.464 3.842 20 5 GHBDMN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1ccc(N2CCN(C)CC2)cc1 ZINC000763190190 888173839 /nfs/dbraw/zinc/17/38/39/888173839.db2.gz ZDUVQXNPIWEKMM-UHFFFAOYSA-N 0 1 388.855 3.561 20 5 GHBDMN C[C@@H](NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc2c(c1)OCC(=O)N2 ZINC000287330236 913266144 /nfs/dbraw/zinc/26/61/44/913266144.db2.gz FXJIFDNZLQSINW-SNVBAGLBSA-N 0 1 395.337 3.795 20 5 GHBDMN Cc1ccc2nc(CNC(=O)N3CCC[C@@H](c4ccc([N+](=O)[O-])cc4)C3)[nH]c2c1 ZINC000454613420 889425687 /nfs/dbraw/zinc/42/56/87/889425687.db2.gz XOWSNLMPFWFVCC-MRXNPFEDSA-N 0 1 393.447 3.869 20 5 GHBDMN CCCN(CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@H]1CCc2ccccc21 ZINC000533256443 890108926 /nfs/dbraw/zinc/10/89/26/890108926.db2.gz XXMLMOZTZYRBQA-KRWDZBQOSA-N 0 1 397.431 3.662 20 5 GHBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000795104693 890268982 /nfs/dbraw/zinc/26/89/82/890268982.db2.gz ZISXVIXDUDVDIE-HFTRVMKXSA-N 0 1 375.469 3.987 20 5 GHBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000795106538 890298898 /nfs/dbraw/zinc/29/88/98/890298898.db2.gz XPQKCTWUUVAJTQ-BFYDXBDKSA-N 0 1 375.469 3.987 20 5 GHBDMN O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1N1CCN(C2CCCC2)CC1 ZINC001184792442 913436663 /nfs/dbraw/zinc/43/66/63/913436663.db2.gz BPIRLSGNGXTNKL-UHFFFAOYSA-N 0 1 379.460 3.890 20 5 GHBDMN COc1ccc(NC(=O)[C@H](C)N[C@@H](c2ncccc2C)C(C)C)c([N+](=O)[O-])c1 ZINC000533381685 890390028 /nfs/dbraw/zinc/39/00/28/890390028.db2.gz WLYMKTHTXKZQBN-KBXCAEBGSA-N 0 1 386.452 3.621 20 5 GHBDMN Cc1c(CC(=O)NC[C@@H](c2ccc(Cl)cc2)N(C)C)cccc1[N+](=O)[O-] ZINC000533497494 890740733 /nfs/dbraw/zinc/74/07/33/890740733.db2.gz NPQDWXBZAZDXDX-SFHVURJKSA-N 0 1 375.856 3.518 20 5 GHBDMN Cc1ccc(Sc2ccc(CNC[C@@H](C)S(C)(=O)=O)cc2[N+](=O)[O-])cc1 ZINC000533588285 890918840 /nfs/dbraw/zinc/91/88/40/890918840.db2.gz UKWSOQGBCQXFEE-CQSZACIVSA-N 0 1 394.518 3.577 20 5 GHBDMN Cc1c(NC(=O)[C@@H](C)N[C@H](C)c2ccc(C(F)(F)F)nc2)cccc1[N+](=O)[O-] ZINC000871935089 891092983 /nfs/dbraw/zinc/09/29/83/891092983.db2.gz QTEZATCDZUUUHV-VXGBXAGGSA-N 0 1 396.369 3.995 20 5 GHBDMN O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2NCc2nc(-c3ccncc3)cs2)n1 ZINC000872121745 891167280 /nfs/dbraw/zinc/16/72/80/891167280.db2.gz OMCAILIZJNEKOL-ZBFHGGJFSA-N 0 1 384.465 3.583 20 5 GHBDMN COc1ccc(OC)c([C@H](O)[C@H](C)N[C@H](C)c2c(F)cccc2[N+](=O)[O-])c1 ZINC000872138256 891180734 /nfs/dbraw/zinc/18/07/34/891180734.db2.gz UQOBYNYTYNGLBV-UYSIFFEZSA-N 0 1 378.400 3.524 20 5 GHBDMN Cc1c(CC(=O)N2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)cccc1[N+](=O)[O-] ZINC000128109522 891418612 /nfs/dbraw/zinc/41/86/12/891418612.db2.gz NCUSMBFQFZYTGR-GOSISDBHSA-N 0 1 391.431 3.595 20 5 GHBDMN Cc1c(CC(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)cccc1[N+](=O)[O-] ZINC000128109522 891418614 /nfs/dbraw/zinc/41/86/14/891418614.db2.gz NCUSMBFQFZYTGR-GOSISDBHSA-N 0 1 391.431 3.595 20 5 GHBDMN Cc1ccc([N+](=O)[O-])c(C)c1CNCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1 ZINC000873013959 891428755 /nfs/dbraw/zinc/42/87/55/891428755.db2.gz JXJILIFXEQMHTL-IYBDPMFKSA-N 0 1 384.480 3.510 20 5 GHBDMN Cc1ccn(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)c(=NC2CCCCC2)c1 ZINC000813395253 891569294 /nfs/dbraw/zinc/56/92/94/891569294.db2.gz UQQSGJKXEFDBAL-UHFFFAOYSA-N 0 1 379.420 3.503 20 5 GHBDMN Cc1ccc(CN2CC[C@@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000814175951 892330389 /nfs/dbraw/zinc/33/03/89/892330389.db2.gz KWBADGZRTZTNSW-IAGOWNOFSA-N 0 1 375.469 3.735 20 5 GHBDMN CCc1ccc([C@@H]2CCN(Cn3cc([N+](=O)[O-])c(-c4ccncc4)n3)C2)cc1 ZINC000814226057 892418261 /nfs/dbraw/zinc/41/82/61/892418261.db2.gz ZEDNIOLZMZUEAR-LJQANCHMSA-N 0 1 377.448 3.863 20 5 GHBDMN COc1cccc([C@@H]2[C@@H](NC(=O)c3c(C)cccc3[N+](=O)[O-])CCN2C2CC2)c1 ZINC000192456394 892466283 /nfs/dbraw/zinc/46/62/83/892466283.db2.gz LBXBWNKTHVGRQV-GHTZIAJQSA-N 0 1 395.459 3.620 20 5 GHBDMN Cc1n[nH]c(C(F)F)c1NC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000497889840 892631655 /nfs/dbraw/zinc/63/16/55/892631655.db2.gz KLWHWLNLKPDBBY-UHFFFAOYSA-N 0 1 389.156 3.887 20 5 GHBDMN O=[N+]([O-])c1cccc(N2CCN(C[C@H](O)c3cccc4ccccc43)CC2)c1 ZINC000815017900 893341783 /nfs/dbraw/zinc/34/17/83/893341783.db2.gz ZDAUSFLUSPJIQK-QFIPXVFZSA-N 0 1 377.444 3.604 20 5 GHBDMN O=C(c1cc(-c2cccs2)[nH]n1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000498139829 893379732 /nfs/dbraw/zinc/37/97/32/893379732.db2.gz FBQRWOBUXLBBNY-KRWDZBQOSA-N 0 1 386.458 3.934 20 5 GHBDMN C[C@H]1CCCC[N@H+]1Cc1ccc(CNc2nccc(C(=O)[O-])c2[N+](=O)[O-])cc1 ZINC000563208430 893481194 /nfs/dbraw/zinc/48/11/94/893481194.db2.gz XCYLOGIPHJUWFZ-AWEZNQCLSA-N 0 1 384.436 3.675 20 5 GHBDMN C[C@H](C[C@H](O)c1ccco1)NCc1cc(Br)c([N+](=O)[O-])s1 ZINC000877128173 893498121 /nfs/dbraw/zinc/49/81/21/893498121.db2.gz DVMDGXJISZPPCW-KCJUWKMLSA-N 0 1 375.244 3.614 20 5 GHBDMN COc1cc(CN2CC[C@H](Cc3nccs3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000934332150 893552702 /nfs/dbraw/zinc/55/27/02/893552702.db2.gz DJGCMZGARNKJAW-LLVKDONJSA-N 0 1 399.419 3.726 20 5 GHBDMN CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc3c2OCC[C@H]3N(C)C)c1 ZINC000563459946 893755467 /nfs/dbraw/zinc/75/54/67/893755467.db2.gz YWZZWIKRPNXGHW-QGZVFWFLSA-N 0 1 385.420 3.631 20 5 GHBDMN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(Cl)c(OC(F)F)c2)c1 ZINC000194659613 893756300 /nfs/dbraw/zinc/75/63/00/893756300.db2.gz DDSDBWWPGMTCAB-UHFFFAOYSA-N 0 1 378.740 3.650 20 5 GHBDMN C[C@@H](N[C@H]1CCCN(c2ccccc2Cl)C1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815583912 894023440 /nfs/dbraw/zinc/02/34/40/894023440.db2.gz QZLBWJLTWSDBMF-WBMJQRKESA-N 0 1 388.855 3.677 20 5 GHBDMN C[C@@H]1CN(C(C)(C)CNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C[C@@H](C)O1 ZINC000217678046 894235953 /nfs/dbraw/zinc/23/59/53/894235953.db2.gz POZZDDODVHTELV-VXGBXAGGSA-N 0 1 375.391 3.913 20 5 GHBDMN COc1ccc([C@H](CNC(=O)c2c(C)ccc([N+](=O)[O-])c2C)N2CCCC2)cc1 ZINC001135450160 894605196 /nfs/dbraw/zinc/60/51/96/894605196.db2.gz CIIZYMIKNGPMOR-FQEVSTJZSA-N 0 1 397.475 3.787 20 5 GHBDMN CCC[N@@H+](C)[C@@H](CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000565035942 895361016 /nfs/dbraw/zinc/36/10/16/895361016.db2.gz NGPLBVJXMOFCQB-INIZCTEOSA-N 0 1 392.843 3.836 20 5 GHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000565135541 895415359 /nfs/dbraw/zinc/41/53/59/895415359.db2.gz XZGVNOQNGVCAAI-MRXNPFEDSA-N 0 1 378.837 3.961 20 5 GHBDMN Cc1nc(-c2ccc(CNC(=O)c3cc(O)cc([N+](=O)[O-])c3)s2)cs1 ZINC000543735090 895455003 /nfs/dbraw/zinc/45/50/03/895455003.db2.gz ZHVFLISIYHWJEA-UHFFFAOYSA-N 0 1 375.431 3.724 20 5 GHBDMN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000565777406 895869400 /nfs/dbraw/zinc/86/94/00/895869400.db2.gz QHUPBNBRSPQXCE-QAPCUYQASA-N 0 1 383.448 3.544 20 5 GHBDMN CC[N@@H+](CCC1CCN(c2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)CC1)CC1CC1 ZINC000566290354 896218525 /nfs/dbraw/zinc/21/85/25/896218525.db2.gz FQJFRMDEVSGVCX-UHFFFAOYSA-N 0 1 389.496 3.940 20 5 GHBDMN Cc1cc(F)cc(C(=O)Nc2nc3c(s2)CN(C(C)(C)C)CC3)c1[N+](=O)[O-] ZINC000819678212 896899351 /nfs/dbraw/zinc/89/93/51/896899351.db2.gz JSJFCOPTIPOGOS-UHFFFAOYSA-N 0 1 392.456 3.908 20 5 GHBDMN CSc1ccc([N+](=O)[O-])c(C(=O)N(C)CCCN(C)Cc2ccco2)c1 ZINC000567376371 897104105 /nfs/dbraw/zinc/10/41/05/897104105.db2.gz AKDICALYEQQZKV-UHFFFAOYSA-N 0 1 377.466 3.504 20 5 GHBDMN CCOc1cccc([N+](=O)[O-])c1C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC001136423404 897751361 /nfs/dbraw/zinc/75/13/61/897751361.db2.gz HBLWJIGEULEHDZ-UHFFFAOYSA-N 0 1 397.475 3.560 20 5 GHBDMN Cc1ccc(C)c([C@H]2CN(C(=O)c3n[nH]c(C(C)C)c3[N+](=O)[O-])[C@H](C)CO2)c1 ZINC000331621047 899031653 /nfs/dbraw/zinc/03/16/53/899031653.db2.gz QFJAVYOYVMVMCR-GDBMZVCRSA-N 0 1 386.452 3.660 20 5 GHBDMN Cn1ccc([C@@H](NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)c2ccc(F)cc2)n1 ZINC000570197015 899189162 /nfs/dbraw/zinc/18/91/62/899189162.db2.gz OERVXZVRRFYCMR-NRFANRHFSA-N 0 1 393.422 3.870 20 5 GHBDMN O=C(Nc1ccc2nc(-c3ccc(F)cc3)[nH]c2c1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000303124470 914336800 /nfs/dbraw/zinc/33/68/00/914336800.db2.gz GNBBQQMKFWUAJT-UHFFFAOYSA-N 0 1 393.334 3.630 20 5 GHBDMN Cc1ccc2nc([C@H]3CCCN3C(=O)Nc3ccc(N)c([N+](=O)[O-])c3)[nH]c2c1 ZINC000823997597 899346884 /nfs/dbraw/zinc/34/68/84/899346884.db2.gz DINPFOHHGWUTHJ-MRXNPFEDSA-N 0 1 380.408 3.731 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@@H](c1ncccc1C)C(C)C ZINC000118841084 899481908 /nfs/dbraw/zinc/48/19/08/899481908.db2.gz HLUOOVXXPJRNAU-RDTXWAMCSA-N 0 1 386.452 3.621 20 5 GHBDMN COc1ccc(CN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C(C)(C)C)cc1 ZINC000571002110 899708907 /nfs/dbraw/zinc/70/89/07/899708907.db2.gz FVYLWXHLYALZOC-UHFFFAOYSA-N 0 1 397.475 3.793 20 5 GHBDMN CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]2CC3(CC[C@@H]21)OCCO3 ZINC000825030065 899943919 /nfs/dbraw/zinc/94/39/19/899943919.db2.gz DIGLBSRVZBJNLN-QAPCUYQASA-N 0 1 376.453 3.501 20 5 GHBDMN C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000574455727 900897369 /nfs/dbraw/zinc/89/73/69/900897369.db2.gz HNLFUICIEWOVMZ-CQSZACIVSA-N 0 1 384.436 3.675 20 5 GHBDMN COc1cc(CN(Cc2ccccc2)C[C@H](O)c2ccco2)ccc1[N+](=O)[O-] ZINC000778948994 902118650 /nfs/dbraw/zinc/11/86/50/902118650.db2.gz VQXVJKHYMHKLPH-IBGZPJMESA-N 0 1 382.416 3.932 20 5 GHBDMN Cc1ccc(Sc2ccc(C(=O)N3CC(N4CCCC4)C3)cc2[N+](=O)[O-])cc1 ZINC001146802973 903614241 /nfs/dbraw/zinc/61/42/41/903614241.db2.gz IRKCLSFDBOGCEO-UHFFFAOYSA-N 0 1 397.500 3.975 20 5 GHBDMN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000578343790 903749784 /nfs/dbraw/zinc/74/97/84/903749784.db2.gz MKSHSERPWJJNNA-UHFFFAOYSA-N 0 1 382.464 3.897 20 5 GHBDMN CCc1ccc(C(=O)NC[C@@H](c2ccc(Cl)cc2)N(C)C)cc1[N+](=O)[O-] ZINC001148654684 904138362 /nfs/dbraw/zinc/13/83/62/904138362.db2.gz XPQMXMSUTYFHPX-SFHVURJKSA-N 0 1 375.856 3.843 20 5 GHBDMN CCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(F)c2ncccc12 ZINC000578825841 904155026 /nfs/dbraw/zinc/15/50/26/904155026.db2.gz UMNRRLFOEXVPBO-UHFFFAOYSA-N 0 1 375.381 3.645 20 5 GHBDMN CC(C)(C)OC(=O)[C@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)Cc2ccccc21 ZINC001171910852 905141303 /nfs/dbraw/zinc/14/13/03/905141303.db2.gz ALEDTBMPCRXWJK-FQEVSTJZSA-N 0 1 398.459 3.915 20 5 GHBDMN O=C1CCN(C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)[C@@H]2CCCC[C@@H]12 ZINC001173010548 906087244 /nfs/dbraw/zinc/08/72/44/906087244.db2.gz USSRAWANFSAVSR-CRAIPNDOSA-N 0 1 393.434 3.675 20 5 GHBDMN CC(=O)[C@@H](NC1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1)c1ccccc1 ZINC001173010774 906087299 /nfs/dbraw/zinc/08/72/99/906087299.db2.gz ICIPLLMAFJQUAW-LJQANCHMSA-N 0 1 389.402 3.762 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C[C@H](C)N[C@H](c2ncccc2F)C2CC2)c1F ZINC001173178096 906256436 /nfs/dbraw/zinc/25/64/36/906256436.db2.gz HKKQNNXNWWSYTL-VOJFVSQTSA-N 0 1 377.391 3.949 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CC[C@H](Oc3ncccc3C)C2)c1F ZINC001173191134 906273766 /nfs/dbraw/zinc/27/37/66/906273766.db2.gz ARKNNTBJHVFDBO-CABCVRRESA-N 0 1 389.427 3.530 20 5 GHBDMN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1cccc(N2CCC[NH+]=C2[O-])c1 ZINC000179645734 906551169 /nfs/dbraw/zinc/55/11/69/906551169.db2.gz RWADOPDQUOIYBS-UHFFFAOYSA-N 0 1 382.420 3.692 20 5 GHBDMN Nc1cc2nc3ccccc3n(C3=CCN(Cc4ccccc4)CC3)c-2cc1=O ZINC001175507450 907596086 /nfs/dbraw/zinc/59/60/86/907596086.db2.gz VINJDLBUABSTHV-UHFFFAOYSA-N 0 1 382.467 3.830 20 5 GHBDMN CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2cccc(Br)c2[nH]1 ZINC001177424873 908573979 /nfs/dbraw/zinc/57/39/79/908573979.db2.gz DTUZVORQSKPDOB-UHFFFAOYSA-N 0 1 390.197 3.528 20 5 GHBDMN O=[N+]([O-])c1ccc(CN2CCC[C@@H]2C[C@@H](O)c2cccs2)c([N+](=O)[O-])c1 ZINC000194061544 908912955 /nfs/dbraw/zinc/91/29/55/908912955.db2.gz ISOHKOLTUPELIF-CZUORRHYSA-N 0 1 377.422 3.653 20 5 GHBDMN COc1ccccc1[C@@H](CNC(=O)c1cc(C)cc([N+](=O)[O-])c1)N1CCCCC1 ZINC000195692553 909031986 /nfs/dbraw/zinc/03/19/86/909031986.db2.gz DULIHWGNYUMWNC-HXUWFJFHSA-N 0 1 397.475 3.869 20 5 GHBDMN Cc1cc([C@@H]2CCCCN2C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)n[nH]1 ZINC001179159931 909407186 /nfs/dbraw/zinc/40/71/86/909407186.db2.gz IZMJPVBMWMOXCK-KRWDZBQOSA-N 0 1 376.844 3.966 20 5 GHBDMN Nc1ccc(NS(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000795287304 909724109 /nfs/dbraw/zinc/72/41/09/909724109.db2.gz VPWNHJZIOFOIFE-UHFFFAOYSA-N 0 1 395.746 3.650 20 5 GHBDMN O=[N+]([O-])c1nc[nH]c1-c1nc(-c2ccc3cc(Br)ccc3c2)no1 ZINC001212892875 911378903 /nfs/dbraw/zinc/37/89/03/911378903.db2.gz AFXKDJBJBGRNDN-UHFFFAOYSA-N 0 1 386.165 3.951 20 5 GHBDMN CC(C)Cc1ccc(CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1 ZINC001182599612 911915557 /nfs/dbraw/zinc/91/55/57/911915557.db2.gz CCAFGFRGIBGYKF-UHFFFAOYSA-N 0 1 379.420 3.760 20 5 GHBDMN O=C([O-])[C@H]1CSCC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000901891825 921705485 /nfs/dbraw/zinc/70/54/85/921705485.db2.gz QLVJUKZXABKTTC-GFCCVEGCSA-N 0 1 378.475 3.573 20 5 GHBDMN COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCc1ccc(Nc2ccncc2)cc1 ZINC001187183088 915074127 /nfs/dbraw/zinc/07/41/27/915074127.db2.gz UWUOINPKCXOJLM-UHFFFAOYSA-N 0 1 392.415 3.862 20 5 GHBDMN O=[N+]([O-])c1cccc(NS(=O)(=O)c2cc3ccccc3o2)c1Br ZINC000775202457 916224508 /nfs/dbraw/zinc/22/45/08/916224508.db2.gz SGUKWPGEELIZTE-UHFFFAOYSA-N 0 1 397.206 3.904 20 5 GHBDMN O=[N+]([O-])c1cccc(N2CCN(CCOc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC001190331777 917264098 /nfs/dbraw/zinc/26/40/98/917264098.db2.gz MAOUFZXXGHQJIA-UHFFFAOYSA-N 0 1 395.381 3.815 20 5 GHBDMN CCO[C@@H]1C[C@@H](N(C)Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1(CC)CC ZINC001191821399 918245829 /nfs/dbraw/zinc/24/58/29/918245829.db2.gz MNMWQAJRUULVQA-QZTJIDSGSA-N 0 1 378.469 3.797 20 5 GHBDMN O=C(C[N@H+]1CCC[C@@H]1CCCc1ccccc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001192214428 918543635 /nfs/dbraw/zinc/54/36/35/918543635.db2.gz OVAQGURQEPPGAR-FQEVSTJZSA-N 0 1 393.487 3.971 20 5 GHBDMN CCN1CCN(c2ccc(Cl)cc2NC(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000117235370 919536349 /nfs/dbraw/zinc/53/63/49/919536349.db2.gz VVBFXTJAZPUMND-UHFFFAOYSA-N 0 1 394.884 3.704 20 5 GHBDMN COc1ccc(-c2ccc(CN[C@H]3c4ccccc4C[C@@H]3O)o2)c([N+](=O)[O-])c1 ZINC000119189650 919610296 /nfs/dbraw/zinc/61/02/96/919610296.db2.gz FWRRYXPJSYPDBO-FPOVZHCZSA-N 0 1 380.400 3.611 20 5 GHBDMN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(N3CCCC3)c(Cl)c2)cs1 ZINC000120010026 919677205 /nfs/dbraw/zinc/67/72/05/919677205.db2.gz RXFAXOHZWSMJRZ-UHFFFAOYSA-N 0 1 387.870 3.711 20 5 GHBDMN O=C(OCc1csc([N+](=O)[O-])c1)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000803905872 923362555 /nfs/dbraw/zinc/36/25/55/923362555.db2.gz GONGUSFQWPGLGF-OAHLLOKOSA-N 0 1 396.415 3.857 20 5 GHBDMN NCc1nc2c(s1)CCN(Cc1ccc(-c3ccccc3[N+](=O)[O-])s1)C2 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O=[N+]([O-])c1cccc([C@H](O)CSc2nc(-c3ccc4c(c3)CCC4)n[nH]2)c1 ZINC000783656125 931609308 /nfs/dbraw/zinc/60/93/08/931609308.db2.gz LJEXMAMJRCESHA-QGZVFWFLSA-N 0 1 382.445 3.694 20 5 GHBDMN CC(C)(C)OC(=O)NC1(C)CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000783719555 931629780 /nfs/dbraw/zinc/62/97/80/931629780.db2.gz KFHGUIIYMHQJOM-CLFYSBASSA-N 0 1 375.469 3.987 20 5 GHBDMN Cc1ccc2nc(NC(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)[nH]c2c1 ZINC000557827747 931709068 /nfs/dbraw/zinc/70/90/68/931709068.db2.gz NNLCCZNIRUAXPO-UHFFFAOYSA-N 0 1 379.420 3.635 20 5 GHBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCO[C@@H](c2ccccc2C(F)(F)F)C1 ZINC000557897354 931742198 /nfs/dbraw/zinc/74/21/98/931742198.db2.gz VAGIEQPSWNVASV-QGZVFWFLSA-N 0 1 382.338 3.893 20 5 GHBDMN NCc1nc2c(s1)CCN([C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)C2 ZINC000925748381 931891499 /nfs/dbraw/zinc/89/14/99/931891499.db2.gz PQMOZBVJIWOLTP-FQEVSTJZSA-N 0 1 380.473 3.658 20 5 GHBDMN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(Cc3ccc([N+](=O)[O-])cc3F)C[C@@H]21 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/nfs/dbraw/zinc/38/38/66/993383866.db2.gz MXRXVZSVYBQBCO-VYBJVRDASA-N 0 1 385.395 3.689 20 5 GHBDMN COc1ccc(-n2ccc(CNC/C(C)=C/c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000468627143 1015857628 /nfs/dbraw/zinc/85/76/28/1015857628.db2.gz CTIJMDUBGDPVAP-FOWTUZBSSA-N 0 1 378.432 3.982 20 5 GHBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCC(=O)Nc1ccc(F)c(F)c1F ZINC000468634420 1015861584 /nfs/dbraw/zinc/86/15/84/1015861584.db2.gz DHOJQSOSZJQBCB-YRNVUSSQSA-N 0 1 379.338 3.644 20 5 GHBDMN CC1(C)[C@@H](c2ccccc2)CC[N@H+]1Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001593842877 996606243 /nfs/dbraw/zinc/60/62/43/996606243.db2.gz XSHINCDQKQYYLV-QGZVFWFLSA-N 0 1 384.432 3.826 20 5 GHBDMN CCN(CC)[C@H](C(=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1)c1ccccc1 ZINC000468830000 1016081229 /nfs/dbraw/zinc/08/12/29/1016081229.db2.gz FBGFLUJWKZNGLM-FQEVSTJZSA-N 0 1 378.432 3.587 20 5 GHBDMN CN1CC[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)[C@H]1c1ccccc1 ZINC000545845337 1016508845 /nfs/dbraw/zinc/50/88/45/1016508845.db2.gz RKSARIZKAAIOBY-RBUKOAKNSA-N 0 1 385.439 3.573 20 5 GHBDMN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2nc(N(C)C)[nH]c2c1 ZINC000559054012 1017350930 /nfs/dbraw/zinc/35/09/30/1017350930.db2.gz PIDOMPSYQQZVNT-UHFFFAOYSA-N 0 1 385.449 3.901 20 5 GHBDMN COC(=O)c1cc(C)nc(N2CCC[C@@H]2c2nc3ccc(C)cc3[nH]2)c1[N+](=O)[O-] ZINC000561236615 1017816460 /nfs/dbraw/zinc/81/64/60/1017816460.db2.gz VQLVDKZZNQYNMX-MRXNPFEDSA-N 0 1 395.419 3.611 20 5 GHBDMN Cc1cc(N2CCCC2)ccc1NC(=O)CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000932180842 1018132544 /nfs/dbraw/zinc/13/25/44/1018132544.db2.gz VPGBBGOFMPREIZ-MRXNPFEDSA-N 0 1 382.464 3.793 20 5 GHBDMN CCOc1ccc(CCN(C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000934725807 1018923317 /nfs/dbraw/zinc/92/33/17/1018923317.db2.gz MDEBESBXDXMAFG-UHFFFAOYSA-N 0 1 382.420 3.718 20 5 GHBDMN CSc1nc(Cl)nc(N[C@H](c2cccnc2)C(F)(F)F)c1[N+](=O)[O-] ZINC001156158380 1032905454 /nfs/dbraw/zinc/90/54/54/1032905454.db2.gz AYVMEZCQRRMPNN-MRVPVSSYSA-N 0 1 379.751 3.871 20 5 GHBDMN Cc1cc([N+](=O)[O-])c(F)c(C(=O)Nc2cccc3c2OCC[C@H]3N(C)C)c1F ZINC000834719743 1021403077 /nfs/dbraw/zinc/40/30/77/1021403077.db2.gz NLZVHKYOJOAWCD-CYBMUJFWSA-N 0 1 391.374 3.819 20 5 GHBDMN CC(C)(C)OC(=O)NC[C@]1(C)CCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000802654014 1021514819 /nfs/dbraw/zinc/51/48/19/1021514819.db2.gz DQMPEBIAJVDZRQ-XOYLTFLUSA-N 0 1 375.469 3.845 20 5 GHBDMN C[C@@H]1C[C@H](C)[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])[C@H](C)[C@H]1C(=O)[O-] ZINC000903952074 1021663168 /nfs/dbraw/zinc/66/31/68/1021663168.db2.gz JTMYXCBHQAXAHH-RSQPEXBXSA-N 0 1 385.258 3.677 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C(=O)C(C)(C)C)cc1 ZINC000749143562 1021758034 /nfs/dbraw/zinc/75/80/34/1021758034.db2.gz YEZJGFUYCZSTLT-UHFFFAOYSA-N 0 1 376.434 3.933 20 5 GHBDMN O=c1ccc([N+](=O)[O-])cn1CCN1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC000133181870 1022355060 /nfs/dbraw/zinc/35/50/60/1022355060.db2.gz RHLIZYKQAFNRES-UHFFFAOYSA-N 0 1 393.365 3.565 20 5 GHBDMN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(CN(C)C)c(F)c1 ZINC000754870490 1022941569 /nfs/dbraw/zinc/94/15/69/1022941569.db2.gz HPZORZSPBYQYDW-LLVKDONJSA-N 0 1 395.818 3.855 20 5 GHBDMN Cc1nc2ccccc2n1C[C@@H]1CCCN1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000755762218 1023366775 /nfs/dbraw/zinc/36/67/75/1023366775.db2.gz MVBRDSGQAKLBFC-SFHVURJKSA-N 0 1 390.447 3.725 20 5 GHBDMN O=C(OCc1cc(O)ccc1[N+](=O)[O-])C1(Cc2ccc(F)cc2)CCOCC1 ZINC000837745568 1024675447 /nfs/dbraw/zinc/67/54/47/1024675447.db2.gz ZTJJYWZKWUDZEH-UHFFFAOYSA-N 0 1 389.379 3.522 20 5 GHBDMN COc1ccc2nc([C@@H](C)NC(=O)c3c(C)cc(C)c([N+](=O)[O-])c3C)[nH]c2c1 ZINC001138587668 1025070344 /nfs/dbraw/zinc/07/03/44/1025070344.db2.gz DDDDTKUZMQVEHI-CYBMUJFWSA-N 0 1 382.420 3.896 20 5 GHBDMN C[C@H](c1ccccn1)N1CC[C@@H](Oc2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC001229086264 1033270794 /nfs/dbraw/zinc/27/07/94/1033270794.db2.gz NZZNDSQYWWBFQL-TZMCWYRMSA-N 0 1 392.253 3.967 20 5 GHBDMN O=[N+]([O-])c1cc2c(nc1NC[C@H]1CSCCN1Cc1ccccc1)CCCC2 ZINC001163037111 1026020837 /nfs/dbraw/zinc/02/08/37/1026020837.db2.gz LEUYQYMHYAVUPG-SFHVURJKSA-N 0 1 398.532 3.898 20 5 GHBDMN Cc1cc(N2CCN(C)C[C@H]2c2ccccc2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001163674024 1026277394 /nfs/dbraw/zinc/27/73/94/1026277394.db2.gz HGACZCMCKHNOAO-FQEVSTJZSA-N 0 1 389.459 3.853 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2ccc(CNCc3ccccc3N3CCOCC3)o2)c1 ZINC001461114850 1069397890 /nfs/dbraw/zinc/39/78/90/1069397890.db2.gz XHJYKGJJQQNGTH-UHFFFAOYSA-N 0 1 393.443 3.981 20 5 GHBDMN O=C(c1ccccc1Sc1ccccc1[N+](=O)[O-])N1CC(N2CCCC2)C1 ZINC001166048424 1026904810 /nfs/dbraw/zinc/90/48/10/1026904810.db2.gz RDIDTGGOLVDAKP-UHFFFAOYSA-N 0 1 383.473 3.666 20 5 GHBDMN O=[N+]([O-])c1cc2cnn(CN3CCCC[C@@H]3[C@@H]3CCC[C@H]3O)c2c(Cl)c1 ZINC000840116596 1027225155 /nfs/dbraw/zinc/22/51/55/1027225155.db2.gz PYCLLDGCAPVSJV-USXIJHARSA-N 0 1 378.860 3.571 20 5 GHBDMN CN(C)C(=O)CN1CCN(Cc2ccc3ccc4cccc5ccc2c3c45)CC1 ZINC001204003637 1027800956 /nfs/dbraw/zinc/80/09/56/1027800956.db2.gz HYWBNBPOVOEFNA-UHFFFAOYSA-N 0 1 385.511 3.790 20 5 GHBDMN CCC(C)(C)c1ccc(CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC001211164915 1027817346 /nfs/dbraw/zinc/81/73/46/1027817346.db2.gz FPXVPFMSEFOTAJ-UHFFFAOYSA-N 0 1 380.441 3.900 20 5 GHBDMN O=C(Nc1ccc(N2CCCC2)c([N+](=O)[O-])c1)[C@@H](c1ccccc1)N1CCCC1 ZINC000840973276 1028011541 /nfs/dbraw/zinc/01/15/41/1028011541.db2.gz HOBUQXIMDZPYNX-OAQYLSRUSA-N 0 1 394.475 3.971 20 5 GHBDMN CCOc1ccc([N+](=O)[O-])cc1CNCCNc1cccc(Br)c1 ZINC001461392970 1069530753 /nfs/dbraw/zinc/53/07/53/1069530753.db2.gz VIDHBTLWJRLXAI-UHFFFAOYSA-N 0 1 394.269 3.958 20 5 GHBDMN CN1CCN(c2ccc(Nc3c(Cl)ccc([N+](=O)[O-])c3Cl)nc2)CC1 ZINC001215581735 1029291808 /nfs/dbraw/zinc/29/18/08/1029291808.db2.gz PGCBLDBGJFMLFN-UHFFFAOYSA-N 0 1 382.251 3.792 20 5 GHBDMN COc1cc([N+](=O)[O-])c(-c2nc(-c3ccc(OC(F)F)cc3)no2)cc1O ZINC001216343710 1029609480 /nfs/dbraw/zinc/60/94/80/1029609480.db2.gz RROQMWJZAIWVKZ-UHFFFAOYSA-N 0 1 379.275 3.627 20 5 GHBDMN Cc1c(-c2nc(-c3ccccc3N3CCN(C)CC3)no2)cc(F)cc1[N+](=O)[O-] ZINC001216902082 1029989910 /nfs/dbraw/zinc/98/99/10/1029989910.db2.gz KARQXWABSYMTRK-UHFFFAOYSA-N 0 1 397.410 3.511 20 5 GHBDMN CN1CCN(c2cc(-c3nc(-c4cccc(Cl)c4)no3)cc([N+](=O)[O-])c2)CC1 ZINC001217020298 1030096712 /nfs/dbraw/zinc/09/67/12/1030096712.db2.gz OPFRTLWIGDAMKP-UHFFFAOYSA-N 0 1 399.838 3.717 20 5 GHBDMN Cc1ccc(C(=O)c2cc([O-])c(O[C@H]3CCC[NH2+]C[C@H]3C)c([N+](=O)[O-])c2)cc1 ZINC001217985549 1030705326 /nfs/dbraw/zinc/70/53/26/1030705326.db2.gz GSIOLOKQIHFMSO-KUHUBIRLSA-N 0 1 384.432 3.607 20 5 GHBDMN Cc1ccc(C(=O)c2cc([O-])c(O[C@@H]3CCC[NH2+]C[C@H]3C)c([N+](=O)[O-])c2)cc1 ZINC001217985547 1030705555 /nfs/dbraw/zinc/70/55/55/1030705555.db2.gz GSIOLOKQIHFMSO-AUUYWEPGSA-N 0 1 384.432 3.607 20 5 GHBDMN O=c1c2cccc(O)c2oc2cc([O-])cc(O[C@@H]3C[NH2+]Cc4ccccc43)c12 ZINC001218493159 1030960634 /nfs/dbraw/zinc/96/06/34/1030960634.db2.gz ITZCKIPNJDFOQJ-LJQANCHMSA-N 0 1 375.380 3.581 20 5 GHBDMN N[C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)Nc1[nH]nc2cccnc21 ZINC001218523566 1030972878 /nfs/dbraw/zinc/97/28/78/1030972878.db2.gz RBCKEGBWMNJXGZ-IBGZPJMESA-N 0 1 381.439 3.773 20 5 GHBDMN C[C@@H](c1ccncc1)N1CCC(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC001151724019 1030983384 /nfs/dbraw/zinc/98/33/84/1030983384.db2.gz DPCKQNIFUIBODA-ZDUSSCGKSA-N 0 1 388.855 3.599 20 5 GHBDMN O=C(Nc1ccnn1-c1ccc(F)cc1)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001152151798 1031123731 /nfs/dbraw/zinc/12/37/31/1031123731.db2.gz RSBMJIGDLXCTHO-UHFFFAOYSA-N 0 1 392.350 3.562 20 5 GHBDMN CCOC(=O)N1CCC[C@H](Oc2ccc3c(c2)oc(=O)c2cc(O)ccc32)C1 ZINC001229798187 1033722940 /nfs/dbraw/zinc/72/29/40/1033722940.db2.gz UDJPTFGOINJEEL-HNNXBMFYSA-N 0 1 383.400 3.652 20 5 GHBDMN CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@H](Oc1cc3[nH]ncc3cc1[N+](=O)[O-])C2 ZINC001230593975 1034138388 /nfs/dbraw/zinc/13/83/88/1034138388.db2.gz DFFYCBRFWYHEDU-BTTYYORXSA-N 0 1 388.424 3.780 20 5 GHBDMN CC(C)(C)OC(=O)N1CC[C@@H](F)[C@H](Oc2cc3[nH]ncc3cc2[N+](=O)[O-])CC1 ZINC001230596812 1034139898 /nfs/dbraw/zinc/13/98/98/1034139898.db2.gz UGZLTBIFZKZMNH-IUODEOHRSA-N 0 1 394.403 3.588 20 5 GHBDMN Cc1ccc2c(c1)nc(=O)[nH]c2OC1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001230888523 1034273114 /nfs/dbraw/zinc/27/31/14/1034273114.db2.gz NLSRIJAWDQYGSF-UHFFFAOYSA-N 0 1 380.404 3.600 20 5 GHBDMN O=[N+]([O-])c1c(Cl)cccc1OC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC001230915920 1034286031 /nfs/dbraw/zinc/28/60/31/1034286031.db2.gz UFHCMTWKCRCIGV-MRXNPFEDSA-N 0 1 376.840 3.918 20 5 GHBDMN CC(C)(C)OC(=O)c1c(Nc2ccc([O-])c([N+](=O)[O-])c2)sc2c1CC[NH2+]C2 ZINC001159271461 1034515620 /nfs/dbraw/zinc/51/56/20/1034515620.db2.gz GLGBIKDAMMVQEH-UHFFFAOYSA-N 0 1 391.449 3.707 20 5 GHBDMN COc1cc(CNC[C@H]2CCCC(C)(C)O2)c([N+](=O)[O-])cc1OCC(F)F ZINC001207735611 1034547915 /nfs/dbraw/zinc/54/79/15/1034547915.db2.gz LQDPEBRHMWHYLW-CYBMUJFWSA-N 0 1 388.411 3.685 20 5 GHBDMN C[C@H]1CN(Cc2ccc3ccc4cccnc4c3n2)CC[C@]1(O)C(F)(F)F ZINC001232217880 1035167538 /nfs/dbraw/zinc/16/75/38/1035167538.db2.gz BAPILASLRGNKKR-ORAYPTAESA-N 0 1 375.394 3.918 20 5 GHBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)N[C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC001209428109 1035272782 /nfs/dbraw/zinc/27/27/82/1035272782.db2.gz DCLJYAOZVJMVKQ-INIZCTEOSA-N 0 1 395.868 3.853 20 5 GHBDMN CC(C)=CCc1c(O)cc(O[C@H](C)CON)c2c1oc1c(O)cccc1c2=O ZINC001234742327 1040267847 /nfs/dbraw/zinc/26/78/47/1040267847.db2.gz XDVFUYJATUWQTB-GFCCVEGCSA-N 0 1 385.416 3.524 20 5 GHBDMN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC001254550786 1040319149 /nfs/dbraw/zinc/31/91/49/1040319149.db2.gz QXBHSAQGCQILEZ-HZPDHXFCSA-N 0 1 377.485 3.857 20 5 GHBDMN COc1cc(N2CCN([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)ccc1Cl ZINC001254608249 1040380069 /nfs/dbraw/zinc/38/00/69/1040380069.db2.gz PYYGHMXBSXAXAU-SFHVURJKSA-N 0 1 387.867 3.546 20 5 GHBDMN Cc1cncc([N+](=O)[O-])c1NC[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001258125808 1044413613 /nfs/dbraw/zinc/41/36/13/1044413613.db2.gz ZRGWWVTYEPRRRF-SCLBCKFNSA-N 0 1 378.835 3.618 20 5 GHBDMN CC[C@@H]1CN(C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC001296188335 1045275513 /nfs/dbraw/zinc/27/55/13/1045275513.db2.gz HFBCRWYKCQGGDU-FXAWDEMLSA-N 0 1 381.476 3.821 20 5 GHBDMN COc1ccc2nc([C@H](C)NC(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)[nH]c2c1 ZINC001296768971 1045369740 /nfs/dbraw/zinc/36/97/40/1045369740.db2.gz SYSJXEGYYTYHCC-MNOVXSKESA-N 0 1 386.383 3.600 20 5 GHBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@](CO)(C(C)C)C2)cc1OC ZINC001261200213 1045917165 /nfs/dbraw/zinc/91/71/65/1045917165.db2.gz PXVVBCNPNBIZRT-KKSFZXQISA-N 0 1 394.512 3.869 20 5 GHBDMN C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001301883137 1046744732 /nfs/dbraw/zinc/74/47/32/1046744732.db2.gz UJWNJUXLLNVNRX-PBHICJAKSA-N 0 1 387.867 3.889 20 5 GHBDMN CC(C)c1cc([C@@H]2CCCN(C(=O)CCOc3ccccc3[N+](=O)[O-])C2)n[nH]1 ZINC001303320788 1047359929 /nfs/dbraw/zinc/35/99/29/1047359929.db2.gz MUTPHSPSQSGXQG-OAHLLOKOSA-N 0 1 386.452 3.616 20 5 GHBDMN O=C(Nc1ccc(-c2ccon2)cc1)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001303968119 1047548989 /nfs/dbraw/zinc/54/89/89/1047548989.db2.gz QHHOUGFOMNNBOG-UHFFFAOYSA-N 0 1 375.344 3.892 20 5 GHBDMN COc1ccc2nc(SCc3nnc(-c4ccccc4[N+](=O)[O-])o3)[nH]c2c1 ZINC001307242428 1049161410 /nfs/dbraw/zinc/16/14/10/1049161410.db2.gz LZQGPRFVENGMJX-UHFFFAOYSA-N 0 1 383.389 3.822 20 5 GHBDMN O=C(C=Cc1ccc([N+](=O)[O-])cc1)Nc1nc2cccc(Br)c2[nH]1 ZINC001288718789 1049207561 /nfs/dbraw/zinc/20/75/61/1049207561.db2.gz WLQRJSNGOMPCHD-TWGQIWQCSA-N 0 1 387.193 3.886 20 5 GHBDMN CCc1ccc(C2CCN(CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)CC2)cc1 ZINC001307974399 1049733346 /nfs/dbraw/zinc/73/33/46/1049733346.db2.gz BRNTXJROVZZYMF-UHFFFAOYSA-N 0 1 393.487 3.926 20 5 GHBDMN O=C(CCNC1(c2c(F)cccc2F)CCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC001307977690 1049735553 /nfs/dbraw/zinc/73/55/53/1049735553.db2.gz HTCKXXOYXYRLKB-UHFFFAOYSA-N 0 1 375.375 3.871 20 5 GHBDMN C[C@@H](NCC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC001308070923 1049817881 /nfs/dbraw/zinc/81/78/81/1049817881.db2.gz UBFDIQQIPWYBBX-CHWSQXEVSA-N 0 1 377.391 3.743 20 5 GHBDMN Cc1cc(C(F)(F)F)nn1CCNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC001308522895 1049998280 /nfs/dbraw/zinc/99/82/80/1049998280.db2.gz KLBYVSUVFCYOLF-UHFFFAOYSA-N 0 1 394.300 3.510 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)ccc1CNC[C@H](O)c1ccccc1Br ZINC001308817452 1050106305 /nfs/dbraw/zinc/10/63/05/1050106305.db2.gz UJWVXDQLUBVABG-HNNXBMFYSA-N 0 1 385.645 3.834 20 5 GHBDMN CC(C)[C@](C)(Cc1ccc(Cl)cc1)NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC001475333239 1050943008 /nfs/dbraw/zinc/94/30/08/1050943008.db2.gz QFCXWKMFQKZJOL-KRWDZBQOSA-N 0 1 397.884 3.579 20 5 GHBDMN COc1ccc(C[C@@H](C)N(C)Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC001330660990 1051058591 /nfs/dbraw/zinc/05/85/91/1051058591.db2.gz HHOUGIFEWACSDD-CQSZACIVSA-N 0 1 382.420 3.716 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@@H](c2cc(C(C)C)[nH]n2)C1 ZINC001310594608 1051475010 /nfs/dbraw/zinc/47/50/10/1051475010.db2.gz ILVYEUXDLJOJHS-CYBMUJFWSA-N 0 1 387.440 3.861 20 5 GHBDMN CCCc1[nH]nc(C(=O)N2CC(Cc3ccccc3C(F)(F)F)C2)c1[N+](=O)[O-] ZINC001319041372 1055005178 /nfs/dbraw/zinc/00/51/78/1055005178.db2.gz XWPFSONLALCZDY-UHFFFAOYSA-N 0 1 396.369 3.604 20 5 GHBDMN Cc1cc(CN2CCCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)CC2)no1 ZINC001319716338 1055418605 /nfs/dbraw/zinc/41/86/05/1055418605.db2.gz MWMGQAPNZGDCMI-UHFFFAOYSA-N 0 1 396.447 3.859 20 5 GHBDMN C[C@H]1CCCN(C(=O)CCN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC001319904502 1055533164 /nfs/dbraw/zinc/53/31/64/1055533164.db2.gz KKZCOABCVSCVBV-HTAPYJJXSA-N 0 1 381.476 3.922 20 5 GHBDMN Cc1c(Br)cc(C(=O)OCc2cc(C3CC3)[nH]n2)cc1[N+](=O)[O-] ZINC000848011813 1056394336 /nfs/dbraw/zinc/39/43/36/1056394336.db2.gz CRESYLMVDSIFRC-UHFFFAOYSA-N 0 1 380.198 3.623 20 5 GHBDMN Cc1c(C(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)ccc2cncn21 ZINC001323704549 1057002968 /nfs/dbraw/zinc/00/29/68/1057002968.db2.gz GEFJOFGGLDFORG-UHFFFAOYSA-N 0 1 392.337 3.756 20 5 GHBDMN Cc1ccc(C2CCN(Cn3cc(-c4ccccc4[N+](=O)[O-])cn3)CC2)cn1 ZINC000848484397 1057119397 /nfs/dbraw/zinc/11/93/97/1057119397.db2.gz ZZJAIULSSYYGLP-UHFFFAOYSA-N 0 1 377.448 3.999 20 5 GHBDMN C[C@@H]1CN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])[C@@H](C)CN1Cc1ccccc1 ZINC001356354818 1057486339 /nfs/dbraw/zinc/48/63/39/1057486339.db2.gz LGTAMMDZCPHZCA-SJORKVTESA-N 0 1 399.466 3.788 20 5 GHBDMN Cc1cccc(CN2CCCC[C@@H]2C(=O)N(C)Cc2ccccc2[N+](=O)[O-])c1 ZINC001338886744 1058857375 /nfs/dbraw/zinc/85/73/75/1058857375.db2.gz IEZPMOJXABTFKV-OAQYLSRUSA-N 0 1 381.476 3.916 20 5 GHBDMN Cc1ccc2nc([C@@H]3CCCN(C(=O)Cc4cccc(F)c4[N+](=O)[O-])C3)[nH]c2c1 ZINC001446587896 1059810653 /nfs/dbraw/zinc/81/06/53/1059810653.db2.gz BGNUBFCKHJMNGJ-OAHLLOKOSA-N 0 1 396.422 3.867 20 5 GHBDMN O=C(CCc1cc(F)ccc1[N+](=O)[O-])NCc1nc2ccc(Cl)cc2[nH]1 ZINC001450905117 1060714464 /nfs/dbraw/zinc/71/44/64/1060714464.db2.gz VTWBUONWHULTPM-UHFFFAOYSA-N 0 1 376.775 3.513 20 5 GHBDMN CC[C@@H](c1ccccc1)N1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC001435308442 1062493272 /nfs/dbraw/zinc/49/32/72/1062493272.db2.gz NWAJXKWBGKNLNL-FQEVSTJZSA-N 0 1 396.491 3.692 20 5 GHBDMN CC(C)c1ncc(CNC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])[nH]1 ZINC001456347364 1062631116 /nfs/dbraw/zinc/63/11/16/1062631116.db2.gz YXNZFGPBZKFIEF-UHFFFAOYSA-N 0 1 394.431 3.950 20 5 GHBDMN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3ccc4cncn4c3)cc2[N+](=O)[O-])C1 ZINC001456439747 1062682136 /nfs/dbraw/zinc/68/21/36/1062682136.db2.gz VCWCYBMGSAUVLX-GASCZTMLSA-N 0 1 393.447 3.977 20 5 GHBDMN CC(C)(C)N1CC[C@@](F)(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C1 ZINC001348844839 1063351180 /nfs/dbraw/zinc/35/11/80/1063351180.db2.gz QWNCOYKPRUTQTO-SFHVURJKSA-N 0 1 392.456 3.869 20 5 GHBDMN CN1CCN(c2ccc(Br)cc2[N+](=O)[O-])C[C@H]1Cc1ccccc1 ZINC001458372365 1063768787 /nfs/dbraw/zinc/76/87/87/1063768787.db2.gz YHXITGAVQSVWPX-MRXNPFEDSA-N 0 1 390.281 3.720 20 5 GHBDMN COCCOc1ccc(NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)c(C)c1 ZINC001464308727 1064950602 /nfs/dbraw/zinc/95/06/02/1064950602.db2.gz IWURNUHYONYBLG-UHFFFAOYSA-N 0 1 396.403 3.571 20 5 GHBDMN Cc1cc(C2CCN(C(=O)c3ccnc(-c4ccccc4)c3[N+](=O)[O-])CC2)n[nH]1 ZINC001466439904 1066155665 /nfs/dbraw/zinc/15/56/65/1066155665.db2.gz REIAKSBMMALMAP-UHFFFAOYSA-N 0 1 391.431 3.708 20 5 GHBDMN O=C(Nc1cccc(CN2CCSCC2)c1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001358095594 1067396829 /nfs/dbraw/zinc/39/68/29/1067396829.db2.gz NZKSCZAKIKOTSG-VQTJNVASSA-N 0 1 397.500 3.886 20 5 GHBDMN O=C(Nc1nc2ccc(Br)cc2[nH]1)c1c(F)cccc1[N+](=O)[O-] ZINC001360977946 1068724446 /nfs/dbraw/zinc/72/44/46/1068724446.db2.gz HJGJYYYMKPTQAB-UHFFFAOYSA-N 0 1 379.145 3.625 20 5 GHBDMN C[C@H](COCC1CCCCC1)NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001460812211 1069196743 /nfs/dbraw/zinc/19/67/43/1069196743.db2.gz BUEDQFRVQKMFOA-CYBMUJFWSA-N 0 1 383.876 3.762 20 5 GHBDMN Cc1ccc(C(=O)N[C@@H](CN(C)C)c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC001470921678 1072818492 /nfs/dbraw/zinc/81/84/92/1072818492.db2.gz UIDYTTRNZZIIIY-INIZCTEOSA-N 0 1 395.381 3.955 20 5 GHBDMN O=[N+]([O-])c1ccc(N2CCN(CCCOCC(F)(F)F)CC2)c(C(F)F)c1 ZINC001472671353 1073608379 /nfs/dbraw/zinc/60/83/79/1073608379.db2.gz GXUFGJBFWYNPAT-UHFFFAOYSA-N 0 1 397.344 3.623 20 5 GHBDMN Cc1noc(CSc2nc(-c3ccccc3Br)n[nH]2)c1[N+](=O)[O-] ZINC001472945443 1073731679 /nfs/dbraw/zinc/73/16/79/1073731679.db2.gz NCVMGWCBOQIVDJ-UHFFFAOYSA-N 0 1 396.226 3.731 20 5 GHBDMN CCO[C@@H]1C[C@H](N(C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C12CCCCC2 ZINC001473199182 1073851590 /nfs/dbraw/zinc/85/15/90/1073851590.db2.gz DZEVGEYFRXFRCW-RBUKOAKNSA-N 0 1 389.496 3.901 20 5 GHBDMN Cc1cc([C@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C2CC2)ccc1F ZINC001475113025 1074741821 /nfs/dbraw/zinc/74/18/21/1074741821.db2.gz RMIKWCNQJJZTKE-MRXNPFEDSA-N 0 1 382.388 3.611 20 5 GHBDMN CC[C@H](C)[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl)C(F)(F)F ZINC001475245236 1074802993 /nfs/dbraw/zinc/80/29/93/1074802993.db2.gz MJZRFCKHORNDLL-MADCSZMMSA-N 0 1 388.795 3.812 20 5 GHBDMN CC1(C)CCC[C@H]1CCNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC001475520411 1074903420 /nfs/dbraw/zinc/90/34/20/1074903420.db2.gz NCRSKEDKTLDQIR-JTQLQIEISA-N 0 1 378.853 3.882 20 5 GHBDMN COc1ccccc1C[C@](C)(CO)NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001620536981 1126240809 /nfs/dbraw/zinc/24/08/09/1126240809.db2.gz JRGMWMHQBYIHAH-GOSISDBHSA-N 0 1 399.274 3.994 20 5 GHBDMN CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)C1 ZINC000833419596 604866390 /nfs/dbraw/zinc/86/63/90/604866390.db2.gz HCTMAJBBENBTMH-NSHDSACASA-N 0 1 379.438 3.652 20 5 GHBDMN CN(Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000825961459 608525750 /nfs/dbraw/zinc/52/57/50/608525750.db2.gz FSZKDCXAQXEGQA-UHFFFAOYSA-N 0 1 390.403 3.667 20 5 GHBDMN CCOc1ccc([C@@H](C)NC2(c3cccc(-c4nn[nH]n4)c3)CC2)cc1[N+](=O)[O-] ZINC000825632566 609250720 /nfs/dbraw/zinc/25/07/20/609250720.db2.gz WYULNUWGAILLQJ-CYBMUJFWSA-N 0 1 394.435 3.514 20 5 GHBDMN O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CC[C@@H]2[C@@H]1CCN2Cc1cccnc1 ZINC001164721769 720375162 /nfs/dbraw/zinc/37/51/62/720375162.db2.gz AYQRNGKMTDIZGS-KGLIPLIRSA-N 0 1 394.262 3.545 20 5 GHBDMN CCOc1cccc([C@H](C)NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000180668359 837445107 /nfs/dbraw/zinc/44/51/07/837445107.db2.gz HNHNZHYDBSUWTG-LBPRGKRZSA-N 0 1 377.828 3.936 20 5 GHBDMN CCOc1cccc([C@@H](C)NCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000180713310 837481442 /nfs/dbraw/zinc/48/14/42/837481442.db2.gz CQKOUPLDVLJXSU-GFCCVEGCSA-N 0 1 377.828 3.936 20 5 GHBDMN C[C@@H]1CC[N@@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C[C@@H]1C(=O)[O-] ZINC000581369464 837517989 /nfs/dbraw/zinc/51/79/89/837517989.db2.gz BLIKPSBBQCGVLD-QAPCUYQASA-N 0 1 383.448 3.905 20 5 GHBDMN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(COC3CCCC3)cc2)cs1 ZINC000120261757 834997121 /nfs/dbraw/zinc/99/71/21/834997121.db2.gz OAMAUKSNIHPHKQ-UHFFFAOYSA-N 0 1 382.463 3.916 20 5 GHBDMN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000179316946 835521418 /nfs/dbraw/zinc/52/14/18/835521418.db2.gz YTSUEIQSUKKPLC-IEBWSBKVSA-N 0 1 385.489 3.882 20 5 GHBDMN COc1ccc2nc(SCc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)[nH]c2c1 ZINC000004406239 835777821 /nfs/dbraw/zinc/77/78/21/835777821.db2.gz WOSDGRCYNLGXAV-UHFFFAOYSA-N 0 1 383.389 3.822 20 5 GHBDMN O=[N+]([O-])c1cc(Br)ccc1N1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000179600337 835889167 /nfs/dbraw/zinc/88/91/67/835889167.db2.gz DXLPUIDDHQWIMV-NSHDSACASA-N 0 1 392.257 3.737 20 5 GHBDMN O=[N+]([O-])c1cc(Br)ccc1N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179600337 835889176 /nfs/dbraw/zinc/88/91/76/835889176.db2.gz DXLPUIDDHQWIMV-NSHDSACASA-N 0 1 392.257 3.737 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C)c1cccc(OC(C)C)c1 ZINC000179669435 835931675 /nfs/dbraw/zinc/93/16/75/835931675.db2.gz ZKTFJGRLYUADSR-AWEZNQCLSA-N 0 1 387.436 3.680 20 5 GHBDMN O=C(CCNCc1csc([N+](=O)[O-])c1)Nc1ccc(Br)cc1 ZINC000236617751 836267922 /nfs/dbraw/zinc/26/79/22/836267922.db2.gz JFYVJSRNBJLDMY-UHFFFAOYSA-N 0 1 384.255 3.537 20 5 GHBDMN COc1ccccc1C(C)(C)NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000728929065 844152760 /nfs/dbraw/zinc/15/27/60/844152760.db2.gz QGUAOQRPMXNJMT-UHFFFAOYSA-N 0 1 377.828 3.720 20 5 GHBDMN COc1ccc(-c2n[nH]c(SCc3csc([N+](=O)[O-])c3)n2)c(OC)c1 ZINC000066000041 836478898 /nfs/dbraw/zinc/47/88/98/836478898.db2.gz NTXVZSHNACDWPS-UHFFFAOYSA-N 0 1 378.435 3.751 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)ccc1CN[C@@H](c1ccccc1)C1(CO)CCOCC1 ZINC000412009066 837107149 /nfs/dbraw/zinc/10/71/49/837107149.db2.gz IWAHAZYKRSVSKL-IBGZPJMESA-N 0 1 390.867 3.868 20 5 GHBDMN Cc1cc(NC(=O)CN[C@H](C)c2cccc([N+](=O)[O-])c2)n(-c2ccc(F)cc2)n1 ZINC000180417767 837225325 /nfs/dbraw/zinc/22/53/25/837225325.db2.gz VCWOUZHHMRXEDA-CQSZACIVSA-N 0 1 397.410 3.517 20 5 GHBDMN Cn1cc(CN[C@@H]2CCOc3ccc(F)cc32)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000189586978 838292032 /nfs/dbraw/zinc/29/20/32/838292032.db2.gz MCKBSLDPMXVUJP-GOSISDBHSA-N 0 1 382.395 3.748 20 5 GHBDMN CCc1cnccc1[C@@H](C)N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000541194198 838648568 /nfs/dbraw/zinc/64/85/68/838648568.db2.gz YEXGINAFGZBWAH-VXGBXAGGSA-N 0 1 376.844 3.883 20 5 GHBDMN Cc1cc(NS(=O)(=O)c2ccc(Br)c(F)c2)ccc1[N+](=O)[O-] ZINC000389212545 838774646 /nfs/dbraw/zinc/77/46/46/838774646.db2.gz CFQRAJXTFXSSRJ-UHFFFAOYSA-N 0 1 389.202 3.606 20 5 GHBDMN COc1ccc(Cl)c(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000129126500 844391215 /nfs/dbraw/zinc/39/12/15/844391215.db2.gz FJKWZOCHUQHKEC-UHFFFAOYSA-N 0 1 377.205 3.711 20 5 GHBDMN COc1cc(CN2CCC[C@@H](OC)CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000378633289 839451266 /nfs/dbraw/zinc/45/12/66/839451266.db2.gz MLBHNXIMPUWYDM-CYBMUJFWSA-N 0 1 392.374 3.545 20 5 GHBDMN CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OCC)C1 ZINC000512562116 844573651 /nfs/dbraw/zinc/57/36/51/844573651.db2.gz PPZAFCSVNVEKQF-HZPDHXFCSA-N 0 1 377.485 3.510 20 5 GHBDMN CCC[C@@H](C)NC(=O)[C@@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2OCC)C1 ZINC000512562116 844573655 /nfs/dbraw/zinc/57/36/55/844573655.db2.gz PPZAFCSVNVEKQF-HZPDHXFCSA-N 0 1 377.485 3.510 20 5 GHBDMN COC(=O)c1ccc(CNc2cc(C)nc3ccc([N+](=O)[O-])cc32)cc1OC ZINC000302074144 861198623 /nfs/dbraw/zinc/19/86/23/861198623.db2.gz IBGKLVZUEKQMCW-UHFFFAOYSA-N 0 1 381.388 3.859 20 5 GHBDMN CN(Cc1cc(Br)cs1)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000053481979 841471026 /nfs/dbraw/zinc/47/10/26/841471026.db2.gz CBPYLSHVMFPRBN-UHFFFAOYSA-N 0 1 395.238 3.567 20 5 GHBDMN CCCc1[nH]nc(C(=O)N2CCC[C@@H](c3ccc(F)c(F)c3)C2)c1[N+](=O)[O-] ZINC000600186925 861212970 /nfs/dbraw/zinc/21/29/70/861212970.db2.gz UYLBLGQMADGUGX-GFCCVEGCSA-N 0 1 378.379 3.568 20 5 GHBDMN Cc1ccc(C(=O)N2CCN(c3cc(C)nc4ccc([N+](=O)[O-])cc43)CC2)s1 ZINC000302139390 861213412 /nfs/dbraw/zinc/21/34/12/861213412.db2.gz DZBQMIALMRNOSM-UHFFFAOYSA-N 0 1 396.472 3.784 20 5 GHBDMN COc1ccc2c(c1)nc(CNc1cc(C)nc3ccc([N+](=O)[O-])cc31)n2C ZINC000302288505 861256758 /nfs/dbraw/zinc/25/67/58/861256758.db2.gz WDLXCSUUJIBYSM-UHFFFAOYSA-N 0 1 377.404 3.959 20 5 GHBDMN CC(C)(C)c1ccc(-c2nc([C@H]3CN4CCC[C@@]4(C)CO3)no2)cc1[N+](=O)[O-] ZINC000569530004 842209778 /nfs/dbraw/zinc/20/97/78/842209778.db2.gz FXKOXVKIZXHPBW-UZLBHIALSA-N 0 1 386.452 3.868 20 5 GHBDMN CO[C@@H](c1ccccc1Cl)[C@@H](C)NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000481407765 861298617 /nfs/dbraw/zinc/29/86/17/861298617.db2.gz LXSSNKJRTXGCRC-KZULUSFZSA-N 0 1 392.839 3.981 20 5 GHBDMN CCS(=O)(=O)c1ccc(CN[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc1 ZINC000278993021 842433335 /nfs/dbraw/zinc/43/33/35/842433335.db2.gz FBFYWNKRLQIGLV-IBGZPJMESA-N 0 1 388.489 3.901 20 5 GHBDMN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1 ZINC000279251133 842759842 /nfs/dbraw/zinc/75/98/42/842759842.db2.gz HCQFTRVTBDNRFT-KRWDZBQOSA-N 0 1 396.403 3.974 20 5 GHBDMN O=[N+]([O-])c1ccc(OCCCN2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000055897609 861346591 /nfs/dbraw/zinc/34/65/91/861346591.db2.gz CSMMMIJZRNIHTQ-XBXARRHUSA-N 0 1 381.476 3.695 20 5 GHBDMN C[C@@H](N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(NC(=O)C2CC2)cc1 ZINC000028347332 861351719 /nfs/dbraw/zinc/35/17/19/861351719.db2.gz OJNUAOGUFBEKPN-KGLIPLIRSA-N 0 1 396.447 3.621 20 5 GHBDMN CC[C@@H](NCc1ccccc1OCCN1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000162035557 861387245 /nfs/dbraw/zinc/38/72/45/861387245.db2.gz JLEOFXQXULVZSZ-OAQYLSRUSA-N 0 1 399.491 3.547 20 5 GHBDMN C[C@@H]1CCC[N@@H+](Cc2ccc(CNc3nc(C(=O)[O-])ccc3[N+](=O)[O-])cc2)C1 ZINC000568888056 843692121 /nfs/dbraw/zinc/69/21/21/843692121.db2.gz WQYSQZKUYJASHU-CQSZACIVSA-N 0 1 384.436 3.532 20 5 GHBDMN O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3cnn(-c4ccc(Cl)cc4)c3)C2)nc1 ZINC000128900121 843856545 /nfs/dbraw/zinc/85/65/45/843856545.db2.gz GFJNOYCVOAVCPJ-MRXNPFEDSA-N 0 1 398.854 3.515 20 5 GHBDMN O=C(NCc1cccc(COCc2ccccc2)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000610891274 844766855 /nfs/dbraw/zinc/76/68/55/844766855.db2.gz RZQPMMUEXUBEBH-UHFFFAOYSA-N 0 1 392.411 3.947 20 5 GHBDMN Cn1c(C(=O)Nc2ccc3nc(-c4cccc(F)c4)[nH]c3c2)ccc1[N+](=O)[O-] ZINC000603984076 861505419 /nfs/dbraw/zinc/50/54/19/861505419.db2.gz XOGRXOXNIOKHNI-UHFFFAOYSA-N 0 1 379.351 3.868 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000182424262 845439720 /nfs/dbraw/zinc/43/97/20/845439720.db2.gz AAOIAXFMEOFYQA-NSHDSACASA-N 0 1 397.353 3.912 20 5 GHBDMN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccn(-c2ccncc2)n1 ZINC000538521120 845509930 /nfs/dbraw/zinc/50/99/30/845509930.db2.gz JDPGTHBCMNSYOM-UHFFFAOYSA-N 0 1 397.460 3.742 20 5 GHBDMN COc1ccc([C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2)N2CCCCC2)cc1 ZINC000071794403 845510128 /nfs/dbraw/zinc/51/01/28/845510128.db2.gz VVLIARYEKKDKNF-FQEVSTJZSA-N 0 1 398.463 3.952 20 5 GHBDMN Cc1cc(NC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)ccc1[N+](=O)[O-] ZINC000182760637 845538051 /nfs/dbraw/zinc/53/80/51/845538051.db2.gz KNIRDSUYBKQUPG-UHFFFAOYSA-N 0 1 386.427 3.828 20 5 GHBDMN CCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccccc1Br ZINC000320465269 845550295 /nfs/dbraw/zinc/55/02/95/845550295.db2.gz ZCFFLVYVIRZHSG-UHFFFAOYSA-N 0 1 385.239 3.721 20 5 GHBDMN COc1cc([N+](=O)[O-])c(C(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)cc1SC ZINC000728461667 846048262 /nfs/dbraw/zinc/04/82/62/846048262.db2.gz JOBASMZTGVFKAW-UHFFFAOYSA-N 0 1 399.331 3.764 20 5 GHBDMN CN(CCC(=O)Nc1ccc(Br)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000051383317 846078611 /nfs/dbraw/zinc/07/86/11/846078611.db2.gz UBWKWXADANQQQY-UHFFFAOYSA-N 0 1 392.253 3.818 20 5 GHBDMN COc1ccc([C@H](CNC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)N2CCCC2)cc1 ZINC000555715042 861640026 /nfs/dbraw/zinc/64/00/26/861640026.db2.gz LULSQLKQRQUIGF-KKSFZXQISA-N 0 1 397.475 3.660 20 5 GHBDMN Cc1ccc(NC(=O)c2ccc(N3CCN(C)[C@@H](C)[C@H]3C)c([N+](=O)[O-])c2)cc1 ZINC000540026702 846513708 /nfs/dbraw/zinc/51/37/08/846513708.db2.gz GHRAKNOHWVHLPF-JKSUJKDBSA-N 0 1 382.464 3.684 20 5 GHBDMN CC(C)c1nc([C@H]2CCCCCN2C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])no1 ZINC000501792071 847187825 /nfs/dbraw/zinc/18/78/25/847187825.db2.gz UCGCPIHSGCTKHT-GFCCVEGCSA-N 0 1 390.444 3.705 20 5 GHBDMN Cc1ccc(CN[C@@H]2CCN(c3ccccc3C(F)(F)F)C2=O)cc1[N+](=O)[O-] ZINC000479390428 847624200 /nfs/dbraw/zinc/62/42/00/847624200.db2.gz LUCGBPJGVOULNR-OAHLLOKOSA-N 0 1 393.365 3.817 20 5 GHBDMN Cc1ccc(S(=O)(=O)C[C@@H](C)NCc2ccc(C(C)C)c([N+](=O)[O-])c2)cc1 ZINC000479402224 847627037 /nfs/dbraw/zinc/62/70/37/847627037.db2.gz MJOYOHUQMTURKR-MRXNPFEDSA-N 0 1 390.505 3.979 20 5 GHBDMN Cn1cc([N+](=O)[O-])c(C(=O)Nc2cc(Cl)ccc2SCC(F)(F)F)n1 ZINC000503420476 847685871 /nfs/dbraw/zinc/68/58/71/847685871.db2.gz KHEJAZPSYFLZFA-UHFFFAOYSA-N 0 1 394.762 3.888 20 5 GHBDMN CC[C@@H]1C[C@]1(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(C)c1 ZINC000502483028 847938992 /nfs/dbraw/zinc/93/89/92/847938992.db2.gz SQEDAGTUFVIICJ-OXQOHEQNSA-N 0 1 388.489 3.592 20 5 GHBDMN Cc1ccc(CN(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)cc1[N+](=O)[O-] ZINC000158719453 847995482 /nfs/dbraw/zinc/99/54/82/847995482.db2.gz DLDYOXIXKASPSY-UHFFFAOYSA-N 0 1 379.460 3.960 20 5 GHBDMN COc1ccc(NC(=O)[C@H](C)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1OC ZINC000178691854 848545395 /nfs/dbraw/zinc/54/53/95/848545395.db2.gz VCKPGMRFELIDHZ-KBPBESRZSA-N 0 1 387.436 3.598 20 5 GHBDMN Cc1ccc([C@@H](C)N[C@@H](C)C(=O)NCc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000178689909 848549207 /nfs/dbraw/zinc/54/92/07/848549207.db2.gz PNMYWNSQTKHTJK-KGLIPLIRSA-N 0 1 375.856 3.912 20 5 GHBDMN O=c1ccc([N+](=O)[O-])cn1CCN1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC000132247317 861983841 /nfs/dbraw/zinc/98/38/41/861983841.db2.gz GQTKRVVUWNTBTN-OAQYLSRUSA-N 0 1 375.428 3.556 20 5 GHBDMN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCNC[C@H]1c1ccccc1 ZINC000423993014 850126167 /nfs/dbraw/zinc/12/61/67/850126167.db2.gz GYHADFLEAZIRSR-INIZCTEOSA-N 0 1 391.880 3.513 20 5 GHBDMN CCN1C[C@@H](C)N(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000435327603 850360026 /nfs/dbraw/zinc/36/00/26/850360026.db2.gz HXVBKCGLZLLWEH-WDEREUQCSA-N 0 1 399.289 3.612 20 5 GHBDMN CCN1C[C@H](C)N(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)C[C@H]1C ZINC000435327597 850360396 /nfs/dbraw/zinc/36/03/96/850360396.db2.gz HXVBKCGLZLLWEH-MNOVXSKESA-N 0 1 399.289 3.612 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2ccc(CN3CCN(c4ccc(O)cc4)CC3)o2)c1 ZINC000505308590 850820244 /nfs/dbraw/zinc/82/02/44/850820244.db2.gz SDQYAFDZAAGPES-UHFFFAOYSA-N 0 1 379.416 3.883 20 5 GHBDMN CCN(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000434230889 850910404 /nfs/dbraw/zinc/91/04/04/850910404.db2.gz YGRQYXDLKXNCBP-WBVHZDCISA-N 0 1 399.495 3.739 20 5 GHBDMN C[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000604429963 862201691 /nfs/dbraw/zinc/20/16/91/862201691.db2.gz BQONXIXYYGDBQE-VIFPVBQESA-N 0 1 392.330 3.792 20 5 GHBDMN CC(C)(C)N1CCc2nc(NC(=O)CCc3cccc([N+](=O)[O-])c3)sc2C1 ZINC000425076848 851069172 /nfs/dbraw/zinc/06/91/72/851069172.db2.gz GXUPZYXIEPDURP-UHFFFAOYSA-N 0 1 388.493 3.779 20 5 GHBDMN Nc1ccc(C(=O)Nc2cc(Cl)cc(Br)c2O)cc1[N+](=O)[O-] ZINC000174919192 851122038 /nfs/dbraw/zinc/12/20/38/851122038.db2.gz ZISHJWZAKMRUAE-UHFFFAOYSA-N 0 1 386.589 3.551 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CNC(C)(C)c1ccc(Cl)cc1 ZINC000057846521 862260199 /nfs/dbraw/zinc/26/01/99/862260199.db2.gz RNAFKDJWEPQQSH-UHFFFAOYSA-N 0 1 377.828 3.720 20 5 GHBDMN Cc1ccc(C=Cc2n[nH]c(S[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)n2)o1 ZINC000514338672 851615327 /nfs/dbraw/zinc/61/53/27/851615327.db2.gz SWXBHHBUOXNOQJ-PRDAAYKISA-N 0 1 399.432 3.904 20 5 GHBDMN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])Nc1nc2ccc(F)cc2[nH]1 ZINC000488934262 851872279 /nfs/dbraw/zinc/87/22/79/851872279.db2.gz CJUPLJMJVYHKRG-UHFFFAOYSA-N 0 1 378.747 3.671 20 5 GHBDMN O=C(Nc1nc2ccc(F)cc2[nH]1)c1sc(Br)cc1[N+](=O)[O-] ZINC000488942260 851877746 /nfs/dbraw/zinc/87/77/46/851877746.db2.gz BKDUKEZZHUAXAN-UHFFFAOYSA-N 0 1 385.174 3.687 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCO[C@@H](C2CCCCC2)C1 ZINC000543576833 852098252 /nfs/dbraw/zinc/09/82/52/852098252.db2.gz MALFILNNEVPNSU-LJQANCHMSA-N 0 1 375.469 3.513 20 5 GHBDMN C[C@@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1cc(Cl)ccc1Cl ZINC000426723007 852308537 /nfs/dbraw/zinc/30/85/37/852308537.db2.gz JZMWKBNQKMCCEF-DGCLKSJQSA-N 0 1 385.247 3.992 20 5 GHBDMN O=C([O-])[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1nc(-c2ccccc2)cs1 ZINC000426799678 852410935 /nfs/dbraw/zinc/41/09/35/852410935.db2.gz LRIAUBDYDCJDJO-INIZCTEOSA-N 0 1 383.429 3.504 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000490005094 852700946 /nfs/dbraw/zinc/70/09/46/852700946.db2.gz OPFUZKCQAFEIQJ-PBHICJAKSA-N 0 1 386.427 3.999 20 5 GHBDMN O=C(Nc1cccc(-c2ccc3c(c2)CCO3)n1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000506328496 852745620 /nfs/dbraw/zinc/74/56/20/852745620.db2.gz ARZOJGSKNNSBRP-UHFFFAOYSA-N 0 1 377.356 3.550 20 5 GHBDMN O=C(N[C@H](COc1ccccc1)c1ccccc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000507277771 852746847 /nfs/dbraw/zinc/74/68/47/852746847.db2.gz GVCKCDVXMXZIBX-HXUWFJFHSA-N 0 1 378.384 3.851 20 5 GHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000506349814 852827586 /nfs/dbraw/zinc/82/75/86/852827586.db2.gz QWBTUYDNNQJLKA-UHFFFAOYSA-N 0 1 383.379 3.941 20 5 GHBDMN CCN(CCNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)CCC(F)(F)F ZINC000427205461 852833143 /nfs/dbraw/zinc/83/31/43/852833143.db2.gz TVMQNGKQMGBIJR-UHFFFAOYSA-N 0 1 389.418 3.896 20 5 GHBDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])n[nH]1 ZINC000490349039 852971772 /nfs/dbraw/zinc/97/17/72/852971772.db2.gz MVXIZQHHYCSXDC-NXEZZACHSA-N 0 1 397.888 3.849 20 5 GHBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN(C)[C@@H]2CCCC[C@H]2O)cc1OC ZINC000426197553 852983025 /nfs/dbraw/zinc/98/30/25/852983025.db2.gz DCYKMXMHIMKNBB-YXJHDRRASA-N 0 1 380.485 3.764 20 5 GHBDMN O=C(N[C@@H](CC(F)(F)F)c1ccccc1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000490545688 853082733 /nfs/dbraw/zinc/08/27/33/853082733.db2.gz OVKPKTMBKOJYDL-AWEZNQCLSA-N 0 1 378.310 3.895 20 5 GHBDMN Cc1ccc(C(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)n[nH]2)cc1[N+](=O)[O-] ZINC000490591348 853119898 /nfs/dbraw/zinc/11/98/98/853119898.db2.gz WTKKKYIAQAXFGU-UHFFFAOYSA-N 0 1 391.309 3.959 20 5 GHBDMN CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)CC1CCCCC1 ZINC000029454989 853127084 /nfs/dbraw/zinc/12/70/84/853127084.db2.gz HZMWJGBGNQYPPL-UHFFFAOYSA-N 0 1 384.274 3.808 20 5 GHBDMN O=[N+]([O-])c1ccc(CN(C[C@@H](O)COc2ccccc2Cl)C2CC2)cc1 ZINC000490828448 853281065 /nfs/dbraw/zinc/28/10/65/853281065.db2.gz QRLZZTJXQJSPTC-QGZVFWFLSA-N 0 1 376.840 3.653 20 5 GHBDMN CN(C(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000519668595 853375543 /nfs/dbraw/zinc/37/55/43/853375543.db2.gz PCPRBWZIRLGWTM-GOSISDBHSA-N 0 1 389.402 3.715 20 5 GHBDMN Cc1ccc(-c2n[nH]c(NC(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)n2)cc1 ZINC000437656603 853384957 /nfs/dbraw/zinc/38/49/57/853384957.db2.gz RUSSALNXRSXAKP-UHFFFAOYSA-N 0 1 391.309 3.959 20 5 GHBDMN Cc1cc(F)cc2[nH]c(C(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)n[nH]3)cc21 ZINC000439189734 853392491 /nfs/dbraw/zinc/39/24/91/853392491.db2.gz PCUHEJBDVSVTGF-UHFFFAOYSA-N 0 1 380.339 3.561 20 5 GHBDMN CC[C@](C)(O)CN(Cc1ccccc1)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000439263489 853482280 /nfs/dbraw/zinc/48/22/80/853482280.db2.gz XVBHMGHTBQKUMV-FQEVSTJZSA-N 0 1 376.428 3.906 20 5 GHBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NC1CCC(c2ccccc2)CC1 ZINC000519890679 853586673 /nfs/dbraw/zinc/58/66/73/853586673.db2.gz MBNNWBSIIMUTFI-UHFFFAOYSA-N 0 1 378.425 3.739 20 5 GHBDMN COc1ccc(CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C(C)(C)C)cc1 ZINC000571681538 853983165 /nfs/dbraw/zinc/98/31/65/853983165.db2.gz HWNQLBZFOJKDHY-UHFFFAOYSA-N 0 1 385.464 3.867 20 5 GHBDMN Cc1nc([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)n[nH]1 ZINC000588072551 854094542 /nfs/dbraw/zinc/09/45/42/854094542.db2.gz JMFJQPIUJJMKPA-JTQLQIEISA-N 0 1 375.454 3.547 20 5 GHBDMN COc1cc(CN2CC[C@@H]3OCC[C@@H]3C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000571802929 854160692 /nfs/dbraw/zinc/16/06/92/854160692.db2.gz OTXPUDPCKTZHQC-XLIONFOSSA-N 0 1 398.459 3.793 20 5 GHBDMN COc1ccccc1[C@@H](CNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)N1CCCC1 ZINC000571977561 854249172 /nfs/dbraw/zinc/24/91/72/854249172.db2.gz MYTYLISQSHWVPU-OXQOHEQNSA-N 0 1 397.475 3.660 20 5 GHBDMN C[C@H](NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H]1Oc2ccccc2[C@H]1C ZINC000543546995 862654456 /nfs/dbraw/zinc/65/44/56/862654456.db2.gz QZJWRHIKMWDPNS-NQCMUKECSA-N 0 1 380.404 3.688 20 5 GHBDMN COc1cc(CN2CCC[C@@H](c3ccccn3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000590600067 855505440 /nfs/dbraw/zinc/50/54/40/855505440.db2.gz KASKYTXYSIYENL-CYBMUJFWSA-N 0 1 393.390 3.979 20 5 GHBDMN Cn1cc(-c2nc(CN3CCC[C@H](c4ccc([N+](=O)[O-])cc4)C3)cs2)cn1 ZINC000590757326 855564870 /nfs/dbraw/zinc/56/48/70/855564870.db2.gz OFXQLFLGWSIUNZ-HNNXBMFYSA-N 0 1 383.477 3.831 20 5 GHBDMN O=C1[C@H](NCc2ccc([N+](=O)[O-])cc2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000542775655 855742214 /nfs/dbraw/zinc/74/22/14/855742214.db2.gz TWITWAUXFGOWNM-MRXNPFEDSA-N 0 1 380.231 3.797 20 5 GHBDMN C[C@H](C(=O)N1CCC[C@H]1c1cccs1)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000554834605 856230638 /nfs/dbraw/zinc/23/06/38/856230638.db2.gz KFQMULSGGKYRFT-QAPCUYQASA-N 0 1 387.505 3.883 20 5 GHBDMN O=C(c1ccccc1)c1ccc(N2CC[C@H](N3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000520757142 856362055 /nfs/dbraw/zinc/36/20/55/856362055.db2.gz CLPFCNXPIAGTDS-IBGZPJMESA-N 0 1 379.460 3.890 20 5 GHBDMN CN(C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(C(F)(F)F)c1 ZINC000184839347 856454843 /nfs/dbraw/zinc/45/48/43/856454843.db2.gz PURDYXSEUIYJMA-MRXNPFEDSA-N 0 1 381.354 3.646 20 5 GHBDMN COc1ccccc1[C@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1C)N1CCCC1 ZINC000043149752 856495734 /nfs/dbraw/zinc/49/57/34/856495734.db2.gz MSTYIRLHJLRRRD-IBGZPJMESA-N 0 1 398.463 3.870 20 5 GHBDMN C[C@@H]1COC[C@H]1N[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000905866574 856647312 /nfs/dbraw/zinc/64/73/12/856647312.db2.gz JXUOTNOMUOGBHA-PJSAGSTRSA-N 0 1 389.839 3.553 20 5 GHBDMN COC(=O)c1ccc(CN(Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)cc1 ZINC000592130648 856668418 /nfs/dbraw/zinc/66/84/18/856668418.db2.gz HIOOENMNQIUCNO-MXVIHJGJSA-N 0 1 398.459 3.687 20 5 GHBDMN CCCN(CCc1cccc(F)c1)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000733300470 862845468 /nfs/dbraw/zinc/84/54/68/862845468.db2.gz KHSOMKFVMPBAQS-UHFFFAOYSA-N 0 1 385.237 3.605 20 5 GHBDMN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(F)c(CN(C)C)c1 ZINC000159634207 862863980 /nfs/dbraw/zinc/86/39/80/862863980.db2.gz IMBAGOZZZFVSTA-UHFFFAOYSA-N 0 1 391.468 3.838 20 5 GHBDMN Cc1ccc([C@@H](C)Nc2cccc(CN3CCC[C@H]3C(N)=O)c2)cc1[N+](=O)[O-] ZINC000245658410 857057974 /nfs/dbraw/zinc/05/79/74/857057974.db2.gz GDXFCUXSXOIZEE-BEFAXECRSA-N 0 1 382.464 3.526 20 5 GHBDMN CCOc1ccc(NC(=O)CN(C)[C@@H]2CC[C@H](SCC)C2)c([N+](=O)[O-])c1 ZINC000173867919 857170465 /nfs/dbraw/zinc/17/04/65/857170465.db2.gz UKRMAMAQNWFNAA-HIFRSBDPSA-N 0 1 381.498 3.538 20 5 GHBDMN COc1ccc(C[N@H+](CCc2ccccn2)Cc2cc([O-])ccc2[N+](=O)[O-])cc1 ZINC000520846160 857287377 /nfs/dbraw/zinc/28/73/77/857287377.db2.gz GWELPMVKNHJCPO-UHFFFAOYSA-N 0 1 393.443 3.949 20 5 GHBDMN COc1ccc(C[N@@H+](CCc2ccccn2)Cc2cc([O-])ccc2[N+](=O)[O-])cc1 ZINC000520846160 857287404 /nfs/dbraw/zinc/28/74/04/857287404.db2.gz GWELPMVKNHJCPO-UHFFFAOYSA-N 0 1 393.443 3.949 20 5 GHBDMN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1 ZINC000041904191 857314181 /nfs/dbraw/zinc/31/41/81/857314181.db2.gz XOZBYBZBCIOOLM-KRWDZBQOSA-N 0 1 388.493 3.563 20 5 GHBDMN CCc1ccc([C@H](NCC(C)(C)[C@@]2(O)CCOC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000592396801 857335027 /nfs/dbraw/zinc/33/50/27/857335027.db2.gz KOMYTYXRYFUTAB-TZIWHRDSSA-N 0 1 388.464 3.607 20 5 GHBDMN COc1ccc(OCCNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000113315740 857424650 /nfs/dbraw/zinc/42/46/50/857424650.db2.gz HYDXMZXLCQTHRW-UHFFFAOYSA-N 0 1 385.445 3.896 20 5 GHBDMN O=[N+]([O-])c1ccccc1/C=C\CN1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000255205888 857590118 /nfs/dbraw/zinc/59/01/18/857590118.db2.gz DARASUQLVZDRFZ-ALCCZGGFSA-N 0 1 391.431 3.933 20 5 GHBDMN Cc1cc(N2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000592971835 858456887 /nfs/dbraw/zinc/45/68/87/858456887.db2.gz JVESXIMMFCCGDI-AWEZNQCLSA-N 0 1 387.411 3.624 20 5 GHBDMN COC(=O)c1cnc([C@@H]2CCCN([C@@H](C)c3cccc([N+](=O)[O-])c3)C2)s1 ZINC000595913237 858717704 /nfs/dbraw/zinc/71/77/04/858717704.db2.gz FQQDCIFPGJYCJE-GXTWGEPZSA-N 0 1 375.450 3.779 20 5 GHBDMN CCc1c(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cnn1-c1cccc(Cl)c1 ZINC000482743401 858826225 /nfs/dbraw/zinc/82/62/25/858826225.db2.gz PNHZICKPLGQSJE-UHFFFAOYSA-N 0 1 386.795 3.954 20 5 GHBDMN CC[C@@H](C)c1nc([C@H](C)Nc2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)n[nH]1 ZINC000596204266 858830645 /nfs/dbraw/zinc/83/06/45/858830645.db2.gz BPBLZDCHOLZUMN-BDAKNGLRSA-N 0 1 381.820 3.840 20 5 GHBDMN NC(=O)c1cc(N2CCCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000596265493 858846244 /nfs/dbraw/zinc/84/62/44/858846244.db2.gz NCYUZWXAZNLPRQ-KRWDZBQOSA-N 0 1 399.838 3.955 20 5 GHBDMN CC(=O)Nc1ccc(C)cc1NS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000068077319 858876603 /nfs/dbraw/zinc/87/66/03/858876603.db2.gz DMZBEBVZQULPCD-UHFFFAOYSA-N 0 1 397.840 3.624 20 5 GHBDMN Cc1cc(C)c([C@H](C)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1C ZINC000543597905 858918907 /nfs/dbraw/zinc/91/89/07/858918907.db2.gz VKSWGZFFFKRCBC-INIZCTEOSA-N 0 1 376.478 3.645 20 5 GHBDMN CCCc1ccc([C@@H](C)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000543598424 858923509 /nfs/dbraw/zinc/92/35/09/858923509.db2.gz AHKUBAOAENBEPT-OAHLLOKOSA-N 0 1 376.478 3.672 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc3nc([C@@H]4CCCO4)[nH]c3c2)c1 ZINC000068198482 858934620 /nfs/dbraw/zinc/93/46/20/858934620.db2.gz FUJHXBAGVKUBJQ-KRWDZBQOSA-N 0 1 382.376 3.584 20 5 GHBDMN O=C(Nc1cccc(CN2CCSCC2)c1)c1cc(F)ccc1[N+](=O)[O-] ZINC000116548115 859025283 /nfs/dbraw/zinc/02/52/83/859025283.db2.gz ZSDCYWAAVJOGAQ-UHFFFAOYSA-N 0 1 375.425 3.535 20 5 GHBDMN Cc1cc(CNCc2cccc([N+](=O)[O-])c2)ccc1I ZINC000466363693 859228630 /nfs/dbraw/zinc/22/86/30/859228630.db2.gz GOFUEJNZJBSXAB-UHFFFAOYSA-N 0 1 382.201 3.798 20 5 GHBDMN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCCN(Cc2ccccc2)CC1 ZINC000117748121 859605742 /nfs/dbraw/zinc/60/57/42/859605742.db2.gz BIKHJPWCWFKOGN-UHFFFAOYSA-N 0 1 387.867 3.525 20 5 GHBDMN O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1cnc2nc[nH]c2c1 ZINC000611206854 859644479 /nfs/dbraw/zinc/64/44/79/859644479.db2.gz SYIMKKQIOMDFEZ-UHFFFAOYSA-N 0 1 375.344 3.911 20 5 GHBDMN COC(=O)C(C)(C)[C@@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000611322853 859695838 /nfs/dbraw/zinc/69/58/38/859695838.db2.gz NGNWIFIBIWFRMN-MRXNPFEDSA-N 0 1 378.469 3.793 20 5 GHBDMN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H]1COc2c1cccc2Cl ZINC000611336854 859712874 /nfs/dbraw/zinc/71/28/74/859712874.db2.gz SZTNSAQTCQZGIO-BZNIZROVSA-N 0 1 375.812 3.689 20 5 GHBDMN CCn1ccnc1[C@@H]1OCC[C@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000922401427 859924434 /nfs/dbraw/zinc/92/44/34/859924434.db2.gz LLEWRIDSLDXUMN-IEBWSBKVSA-N 0 1 382.420 3.691 20 5 GHBDMN COc1cc(CN2CCC[C@H](OC)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000091772849 859930707 /nfs/dbraw/zinc/93/07/07/859930707.db2.gz MFXGQDMTWVXUTL-IBGZPJMESA-N 0 1 386.448 3.793 20 5 GHBDMN CCc1[nH]nc(C(=O)N2CCC[C@@]2(C)Cc2ccccc2Cl)c1[N+](=O)[O-] ZINC000597945644 859950245 /nfs/dbraw/zinc/95/02/45/859950245.db2.gz STKROHORHISMHZ-SFHVURJKSA-N 0 1 376.844 3.771 20 5 GHBDMN O=[N+]([O-])c1ccc(Br)cc1NC1CCN(Cc2ccccn2)CC1 ZINC000765470757 859984647 /nfs/dbraw/zinc/98/46/47/859984647.db2.gz YCWWQWGUQNAMOJ-UHFFFAOYSA-N 0 1 391.269 3.829 20 5 GHBDMN Cc1ccc([C@H](C)NCc2cccc(C(=O)NC[C@H]3CCCO3)c2)cc1[N+](=O)[O-] ZINC000154225761 860025489 /nfs/dbraw/zinc/02/54/89/860025489.db2.gz NQDOZBXZHZLIGY-OXJNMPFZSA-N 0 1 397.475 3.663 20 5 GHBDMN COc1ccc([C@@H]2CCN(Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C2)cc1 ZINC000155213695 860443442 /nfs/dbraw/zinc/44/34/42/860443442.db2.gz HQJYKDAVSDXGSP-MRXNPFEDSA-N 0 1 380.404 3.643 20 5 GHBDMN O=[N+]([O-])c1ccc2c(c1)CN(C[C@H](O)Cc1ccc(C(F)(F)F)cc1)CC2 ZINC000156805339 860973687 /nfs/dbraw/zinc/97/36/87/860973687.db2.gz ZYJMRZDHCOVDDC-GOSISDBHSA-N 0 1 380.366 3.575 20 5 GHBDMN CC[C@H](NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000157214163 861085929 /nfs/dbraw/zinc/08/59/29/861085929.db2.gz LVNUUJAZVNUJPD-QINHECLXSA-N 0 1 384.480 3.844 20 5 GHBDMN CSCCN[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000603743885 861111229 /nfs/dbraw/zinc/11/12/29/861111229.db2.gz WCTSEDQBWIHFDX-INIZCTEOSA-N 0 1 379.869 3.881 20 5 GHBDMN CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCCC[C@H]2CC(=O)[O-])cc1OC ZINC000593744582 861135728 /nfs/dbraw/zinc/13/57/28/861135728.db2.gz GQGFWFOMZWNCSX-ZBFHGGJFSA-N 0 1 394.468 3.858 20 5 GHBDMN CO[C@@H](c1ccccc1Cl)[C@@H](C)NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000481357653 861181622 /nfs/dbraw/zinc/18/16/22/861181622.db2.gz FVIAGXXRZUUOGB-KZULUSFZSA-N 0 1 377.828 3.553 20 5 GHBDMN Cc1cc2[nH]ncc2cc1NC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000481358060 861185331 /nfs/dbraw/zinc/18/53/31/861185331.db2.gz FXFFBERWBXDHEL-UHFFFAOYSA-N 0 1 375.182 3.794 20 5 GHBDMN CC(C)(C)c1ccc(-c2n[nH]c(NC(=O)c3ccc(N)c([N+](=O)[O-])c3)n2)cc1 ZINC000733618447 863068509 /nfs/dbraw/zinc/06/85/09/863068509.db2.gz ZZDNTVGUXNAZMG-UHFFFAOYSA-N 0 1 380.408 3.512 20 5 GHBDMN CCc1[nH]nc(C(=O)N(Cc2ccccc2)Cc2ccc(OC)cc2)c1[N+](=O)[O-] ZINC000444031498 863177707 /nfs/dbraw/zinc/17/77/07/863177707.db2.gz LXNDPQXSBNCGQA-UHFFFAOYSA-N 0 1 394.431 3.732 20 5 GHBDMN COCC1=CCN(Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000482486916 863208114 /nfs/dbraw/zinc/20/81/14/863208114.db2.gz NDKXQDFIVMPMPN-UHFFFAOYSA-N 0 1 398.459 3.961 20 5 GHBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2nn(C(C)C)cc2c1 ZINC000522957723 863798026 /nfs/dbraw/zinc/79/80/26/863798026.db2.gz RAJPBSLMRMDRFQ-UHFFFAOYSA-N 0 1 388.449 3.889 20 5 GHBDMN CCc1[nH]nc(C(=O)N2CCc3c(Cl)cc(Cl)cc3[C@H]2C)c1[N+](=O)[O-] ZINC000444286567 863820224 /nfs/dbraw/zinc/82/02/24/863820224.db2.gz ALYANBKXJOELSS-MRVPVSSYSA-N 0 1 383.235 3.947 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H](Cc1ccccc1)C(=O)N1CCCC1 ZINC000131057246 864096149 /nfs/dbraw/zinc/09/61/49/864096149.db2.gz KDQADKCXIPWGJJ-UTKZUKDTSA-N 0 1 381.476 3.788 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H](Cc1ccccc1)C(=O)N1CCCC1 ZINC000131057679 864102545 /nfs/dbraw/zinc/10/25/45/864102545.db2.gz KDQADKCXIPWGJJ-DYESRHJHSA-N 0 1 381.476 3.788 20 5 GHBDMN COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000792937780 881829849 /nfs/dbraw/zinc/82/98/49/881829849.db2.gz YYVFYEHKSTZBNN-DYVFJYSZSA-N 0 1 376.840 3.758 20 5 GHBDMN CCN(CC)[C@@H](CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)c1ccco1 ZINC000185133469 865348790 /nfs/dbraw/zinc/34/87/90/865348790.db2.gz UUGNOVSTWRLHNT-GUYCJALGSA-N 0 1 377.416 3.630 20 5 GHBDMN O=C(OCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000741326085 866405708 /nfs/dbraw/zinc/40/57/08/866405708.db2.gz JOJWCMYNOPLKNJ-SFHVURJKSA-N 0 1 386.423 3.732 20 5 GHBDMN Cc1ccc2[nH]cc(C(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)c(=O)c2c1 ZINC000553099676 866795612 /nfs/dbraw/zinc/79/56/12/866795612.db2.gz UKAMZHMOFAUKQN-UHFFFAOYSA-N 0 1 377.400 3.550 20 5 GHBDMN Cc1c(Br)c(N2CCCN(C3CCCC3)CC2)ncc1[N+](=O)[O-] ZINC000544393181 867006213 /nfs/dbraw/zinc/00/62/13/867006213.db2.gz XZEYJZMZPYBSFK-UHFFFAOYSA-N 0 1 383.290 3.515 20 5 GHBDMN CCC[N@@H+](CCc1cccc(F)c1)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000742150120 867105166 /nfs/dbraw/zinc/10/51/66/867105166.db2.gz VBJNRKPPLCLMAV-UHFFFAOYSA-N 0 1 383.427 3.905 20 5 GHBDMN CCCN(CCc1cccc(F)c1)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000742150120 867105167 /nfs/dbraw/zinc/10/51/67/867105167.db2.gz VBJNRKPPLCLMAV-UHFFFAOYSA-N 0 1 383.427 3.905 20 5 GHBDMN O=[N+]([O-])c1ccc2[nH]c(CN[C@H]3CCO[C@@H]3c3ccc(Cl)c(F)c3)nc2c1 ZINC000444712379 867105249 /nfs/dbraw/zinc/10/52/49/867105249.db2.gz ZBZNQJUJHAUNDP-MAUKXSAKSA-N 0 1 390.802 3.883 20 5 GHBDMN Cc1ccc(-c2n[nH]c(NC(=O)c3cccc4c(=O)c5ccccc5[nH]c34)n2)o1 ZINC000444969417 867537182 /nfs/dbraw/zinc/53/71/82/867537182.db2.gz WPCKCGFWXRUAET-UHFFFAOYSA-N 0 1 385.383 3.620 20 5 GHBDMN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCCN1Cc1ccccc1 ZINC000479378724 867653637 /nfs/dbraw/zinc/65/36/37/867653637.db2.gz QKHIPNIUCJRWPS-GOSISDBHSA-N 0 1 387.867 3.572 20 5 GHBDMN CCOc1cc(N2CCN(C)CC2)ccc1N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000743279583 868024439 /nfs/dbraw/zinc/02/44/39/868024439.db2.gz MIVPSKOKUQSGOX-INIZCTEOSA-N 0 1 384.480 3.918 20 5 GHBDMN COc1cc(S(=O)(=O)Nc2ccc3oc(C)c(C)c3c2)ccc1[N+](=O)[O-] ZINC000479565868 868074536 /nfs/dbraw/zinc/07/45/36/868074536.db2.gz UKHXXCYVDPHEMF-UHFFFAOYSA-N 0 1 376.390 3.767 20 5 GHBDMN C[C@@H](CN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H](C)CO)c1ccccc1 ZINC000553936480 868465571 /nfs/dbraw/zinc/46/55/71/868465571.db2.gz VEVXJBURNGNUQK-HOTGVXAUSA-N 0 1 396.447 3.631 20 5 GHBDMN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000535474414 868829187 /nfs/dbraw/zinc/82/91/87/868829187.db2.gz FFYHXTHNZRBNJN-UHFFFAOYSA-N 0 1 396.794 3.696 20 5 GHBDMN COc1cc(CNC[C@H](OC)c2ccc(Cl)cc2)c([N+](=O)[O-])cc1OC ZINC000539513206 869258122 /nfs/dbraw/zinc/25/81/22/869258122.db2.gz PEVJBTYRIODKCP-SFHVURJKSA-N 0 1 380.828 3.743 20 5 GHBDMN O=C(Nc1nc(-c2ccc3ccccc3n2)n[nH]1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000609092086 869306865 /nfs/dbraw/zinc/30/68/65/869306865.db2.gz WPYKBHOMNDRBAA-UHFFFAOYSA-N 0 1 399.370 3.662 20 5 GHBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1ccc(-n2cccc2)c(F)c1 ZINC000524594742 869322496 /nfs/dbraw/zinc/32/24/96/869322496.db2.gz VWNKTYUREMIBCH-UHFFFAOYSA-N 0 1 392.350 3.562 20 5 GHBDMN Cn1cc(CN2CCOC3(C2)CCCCCC3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000539851984 869919034 /nfs/dbraw/zinc/91/90/34/869919034.db2.gz ISUVMYXKDBRWAW-UHFFFAOYSA-N 0 1 384.480 3.921 20 5 GHBDMN COc1cccc(CN(CC(C)C)Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000746054709 869982925 /nfs/dbraw/zinc/98/29/25/869982925.db2.gz ZYBNJNKZTCJGPB-UHFFFAOYSA-N 0 1 395.463 3.978 20 5 GHBDMN CNc1c(C(=O)Nc2ccc3nc(-c4ccccn4)[nH]c3c2)cccc1[N+](=O)[O-] ZINC000462767275 870033742 /nfs/dbraw/zinc/03/37/42/870033742.db2.gz KQVALUJHISUCGG-UHFFFAOYSA-N 0 1 388.387 3.827 20 5 GHBDMN CCCc1[nH]nc(C(=O)N2CCn3c(cc4ccc(Cl)cc43)C2)c1[N+](=O)[O-] ZINC000446722475 870267017 /nfs/dbraw/zinc/26/70/17/870267017.db2.gz GJDRGQRQMOEJSX-UHFFFAOYSA-N 0 1 387.827 3.535 20 5 GHBDMN Cc1ccc([C@H](C)N[C@H]2CC(=O)N(C)[C@H]2c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000540145832 870598664 /nfs/dbraw/zinc/59/86/64/870598664.db2.gz ZADUVKZRCPJHAI-JTBRQZTESA-N 0 1 389.402 3.804 20 5 GHBDMN C[C@@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2cccnc2)cc1 ZINC000181304666 870789829 /nfs/dbraw/zinc/78/98/29/870789829.db2.gz IYTOABITPDRUJN-MRXNPFEDSA-N 0 1 390.443 3.970 20 5 GHBDMN O=C1CCN1c1cccc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000441202328 871008448 /nfs/dbraw/zinc/00/84/48/871008448.db2.gz SHEMUXAECKYRMN-UHFFFAOYSA-N 0 1 377.400 3.881 20 5 GHBDMN O=[N+]([O-])c1c[nH]c(-c2nc(-c3ccc4[nH]c(-c5cscn5)nc4c3)no2)c1 ZINC000463171465 871074532 /nfs/dbraw/zinc/07/45/32/871074532.db2.gz NLQOHQKCHYKQBE-UHFFFAOYSA-N 0 1 379.361 3.640 20 5 GHBDMN CN(C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)[C@H]1CCCN(C)C1 ZINC000525616193 871085414 /nfs/dbraw/zinc/08/54/14/871085414.db2.gz VHJZKNVPEJDKFE-INIZCTEOSA-N 0 1 385.489 3.912 20 5 GHBDMN Cc1cnc(CN)n1-c1ncc(C(F)(F)F)cc1-c1cccc([N+](=O)[O-])c1 ZINC001169029092 871106140 /nfs/dbraw/zinc/10/61/40/871106140.db2.gz SZDALYQMDYIOKW-UHFFFAOYSA-N 0 1 377.326 3.628 20 5 GHBDMN C[C@H](N[C@@H](C)c1cccnc1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000181639168 871318908 /nfs/dbraw/zinc/31/89/08/871318908.db2.gz SUTNJVTXCQEEBQ-STQMWFEESA-N 0 1 397.460 3.791 20 5 GHBDMN O=C(N[C@@H]1CCCOc2c(Cl)cccc21)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000540531034 871503193 /nfs/dbraw/zinc/50/31/93/871503193.db2.gz OPFPWHQNAVNSFR-CQSZACIVSA-N 0 1 386.795 3.768 20 5 GHBDMN O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@@H]2COC3(CCCCCC3)O2)c1 ZINC000776959769 882519766 /nfs/dbraw/zinc/51/97/66/882519766.db2.gz WALGAGKNSMCNTG-OAHLLOKOSA-N 0 1 386.395 3.752 20 5 GHBDMN Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2cccc3c2OCC[C@H]3N(C)C)c1 ZINC000540595337 871656436 /nfs/dbraw/zinc/65/64/36/871656436.db2.gz ZRNMQHWXMCOAGU-QGZVFWFLSA-N 0 1 399.447 3.696 20 5 GHBDMN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000462181617 871780363 /nfs/dbraw/zinc/78/03/63/871780363.db2.gz KWTPGSGNTIXSJB-RDTXWAMCSA-N 0 1 379.416 3.591 20 5 GHBDMN O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463439984 871803288 /nfs/dbraw/zinc/80/32/88/871803288.db2.gz MKMSEHICOUUBBW-OAHLLOKOSA-N 0 1 393.365 3.618 20 5 GHBDMN Cc1ccc([C@@H](C)NCC(=O)NCc2ccc(COC(C)C)cc2)cc1[N+](=O)[O-] ZINC000539378496 871860113 /nfs/dbraw/zinc/86/01/13/871860113.db2.gz CSJIIZJMABJPPJ-QGZVFWFLSA-N 0 1 399.491 3.795 20 5 GHBDMN O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1cccc([O-])c1[N+](=O)[O-] ZINC000539383123 871868169 /nfs/dbraw/zinc/86/81/69/871868169.db2.gz XPMXDNUHAOBFRX-MRXNPFEDSA-N 0 1 389.839 3.521 20 5 GHBDMN CCOc1ccc([C@@H](C)NCc2ccc(C)c(S(C)(=O)=O)c2)cc1[N+](=O)[O-] ZINC000447566850 871877637 /nfs/dbraw/zinc/87/76/37/871877637.db2.gz WYKRQKZCJKSSIS-CQSZACIVSA-N 0 1 392.477 3.556 20 5 GHBDMN Cc1cc(N2CCO[C@H](COc3ccccc3)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000477795083 871921389 /nfs/dbraw/zinc/92/13/89/871921389.db2.gz YADIXWOBUATJHL-SFHVURJKSA-N 0 1 379.416 3.736 20 5 GHBDMN Cc1cc(C[C@@H](C)Nc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])[nH]n1 ZINC000447692018 872127333 /nfs/dbraw/zinc/12/73/33/872127333.db2.gz XWWRRYITCCPBLU-SSDOTTSWSA-N 0 1 379.289 3.719 20 5 GHBDMN CC(=O)Nc1ccc(Cl)cc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000191794066 882616813 /nfs/dbraw/zinc/61/68/13/882616813.db2.gz ZPSIBKXXTLVAJS-UHFFFAOYSA-N 0 1 397.840 3.624 20 5 GHBDMN O=[N+]([O-])c1cc(-c2nc(-c3ccn4cncc4c3)no2)cc(C(F)(F)F)c1 ZINC000447967599 872579884 /nfs/dbraw/zinc/57/98/84/872579884.db2.gz ZMRSSYDSVWDKKJ-UHFFFAOYSA-N 0 1 375.266 3.978 20 5 GHBDMN CCCC[C@](C)(NC(=O)c1n[nH]cc1[N+](=O)[O-])c1cccc(Br)c1 ZINC000478154021 872589792 /nfs/dbraw/zinc/58/97/92/872589792.db2.gz UXVSJKXLRYKCJY-INIZCTEOSA-N 0 1 395.257 3.916 20 5 GHBDMN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000448034770 872723651 /nfs/dbraw/zinc/72/36/51/872723651.db2.gz LGEYGXBBXONZDT-QRWLVFNGSA-N 0 1 382.464 3.825 20 5 GHBDMN O=[N+]([O-])c1cccc(NS(=O)(=O)c2ccc(Br)c(Cl)c2)c1 ZINC000443461470 872885438 /nfs/dbraw/zinc/88/54/38/872885438.db2.gz PFTCFAJGXHYLQZ-UHFFFAOYSA-N 0 1 391.630 3.812 20 5 GHBDMN C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000619724618 872922430 /nfs/dbraw/zinc/92/24/30/872922430.db2.gz AHTPZRIRSCMUCW-KRWDZBQOSA-N 0 1 385.464 3.515 20 5 GHBDMN C[C@@H](c1ccccc1)N(C)C(=O)CN(C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000619724618 872922435 /nfs/dbraw/zinc/92/24/35/872922435.db2.gz AHTPZRIRSCMUCW-KRWDZBQOSA-N 0 1 385.464 3.515 20 5 GHBDMN CCCCc1nc(C(=O)OCC)c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)[nH]1 ZINC000191965054 882686159 /nfs/dbraw/zinc/68/61/59/882686159.db2.gz BNAYIZLZRFHOBG-UHFFFAOYSA-N 0 1 394.815 3.743 20 5 GHBDMN C[C@@](CO)(NCCC(=O)Nc1cccc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC001196906742 873473276 /nfs/dbraw/zinc/47/32/76/873473276.db2.gz FKXJRCUILVXOGH-QFIPXVFZSA-N 0 1 393.443 3.574 20 5 GHBDMN CN(C)[C@H](CNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000448607588 873664929 /nfs/dbraw/zinc/66/49/29/873664929.db2.gz SDGQZGJZSYRZLN-MRXNPFEDSA-N 0 1 399.344 3.785 20 5 GHBDMN CCN(Cc1ccc(Br)c([N+](=O)[O-])c1)[C@H](CO)c1ccccc1 ZINC001197253971 873677026 /nfs/dbraw/zinc/67/70/26/873677026.db2.gz DNMHIMOYAPJPRT-QGZVFWFLSA-N 0 1 379.254 3.913 20 5 GHBDMN C[C@@H]1C[C@H]1c1ccc(CCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)o1 ZINC000609135935 874238109 /nfs/dbraw/zinc/23/81/09/874238109.db2.gz GZBMORBULQIKLD-IAQYHMDHSA-N 0 1 381.392 3.668 20 5 GHBDMN COc1cc(CNc2cnc(Cl)c(Br)c2)cc([N+](=O)[O-])c1O ZINC000769761141 874262233 /nfs/dbraw/zinc/26/22/33/874262233.db2.gz VYBSHMWXOTZWIY-UHFFFAOYSA-N 0 1 388.605 3.732 20 5 GHBDMN COc1cccc([C@H](CNC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)N(C)C)c1 ZINC000770005367 874396559 /nfs/dbraw/zinc/39/65/59/874396559.db2.gz AVMCEOGDLTXLSE-KRWDZBQOSA-N 0 1 392.843 3.681 20 5 GHBDMN O=[N+]([O-])c1ccc(NS(=O)(=O)c2cccc3ncccc32)cc1C(F)(F)F ZINC000770521437 874742420 /nfs/dbraw/zinc/74/24/20/874742420.db2.gz UKTLLBZZQHKNSM-UHFFFAOYSA-N 0 1 397.334 3.963 20 5 GHBDMN Cn1cc(Br)c(CN[C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])n1 ZINC000449483767 874933188 /nfs/dbraw/zinc/93/31/88/874933188.db2.gz KLTJPYRRFFXCBD-IUODEOHRSA-N 0 1 393.285 3.592 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2nc(CNC[C@@H](O)CCc3ccccc3)cs2)c1 ZINC000542313085 875353113 /nfs/dbraw/zinc/35/31/13/875353113.db2.gz MVGMIWWLAWLEIX-IBGZPJMESA-N 0 1 383.473 3.802 20 5 GHBDMN Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000772108182 875698619 /nfs/dbraw/zinc/69/86/19/875698619.db2.gz JLKJLRBPASVTGJ-UHFFFAOYSA-N 0 1 379.372 3.641 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2nc(CN3CCCN(c4ccccc4)CC3)co2)cc1 ZINC000153111939 875915828 /nfs/dbraw/zinc/91/58/28/875915828.db2.gz PTCJDRFXRIGIBD-UHFFFAOYSA-N 0 1 378.432 3.962 20 5 GHBDMN CCCN(C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H](C)C(=O)Nc1ccccc1C ZINC000786136516 876502007 /nfs/dbraw/zinc/50/20/07/876502007.db2.gz SHTZTIJOZLDWOP-UZLBHIALSA-N 0 1 385.464 3.676 20 5 GHBDMN Cc1ccc(Br)cc1CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000450881721 877026950 /nfs/dbraw/zinc/02/69/50/877026950.db2.gz NAWDMYMZMGXRRO-UHFFFAOYSA-N 0 1 379.258 3.699 20 5 GHBDMN CN(CCCOc1ccc([N+](=O)[O-])cc1)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000610001740 877272880 /nfs/dbraw/zinc/27/28/80/877272880.db2.gz RRIAQPBRIHSXBN-NRFANRHFSA-N 0 1 398.438 3.958 20 5 GHBDMN Cc1ccc2nc(CNC(=O)Cn3c4ccccc4c(=O)c4ccccc43)[nH]c2c1 ZINC000174884910 877308741 /nfs/dbraw/zinc/30/87/41/877308741.db2.gz PBVWEKJBRINNAC-UHFFFAOYSA-N 0 1 396.450 3.656 20 5 GHBDMN CCOc1ccc(C(=O)NC[C@@H](c2ccc(Cl)cc2)N(C)C)cc1[N+](=O)[O-] ZINC000530829271 878562113 /nfs/dbraw/zinc/56/21/13/878562113.db2.gz ZMUUSUUUCJCGLC-KRWDZBQOSA-N 0 1 391.855 3.680 20 5 GHBDMN CCOc1ccc([C@H](C)NCc2nc(-c3ccc(F)cc3)n[nH]2)cc1[N+](=O)[O-] ZINC000537953268 878578516 /nfs/dbraw/zinc/57/85/16/878578516.db2.gz MNGPEJQRMLBAIV-LBPRGKRZSA-N 0 1 385.399 3.769 20 5 GHBDMN CCOC(=O)N(C)C1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000130849746 878912666 /nfs/dbraw/zinc/91/26/66/878912666.db2.gz GHGDTRIDNWBHTP-UHFFFAOYSA-N 0 1 387.436 3.908 20 5 GHBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H](C)c1cccc(N2CCCC2)c1 ZINC000538279509 879174638 /nfs/dbraw/zinc/17/46/38/879174638.db2.gz IPHXXRPHZKRRDN-MRXNPFEDSA-N 0 1 382.464 3.793 20 5 GHBDMN O=C(Nc1nnc(/C=C/c2ccco2)s1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000152662670 879534616 /nfs/dbraw/zinc/53/46/16/879534616.db2.gz FLRPCNHSHYHGKF-ONEGZZNKSA-N 0 1 378.316 3.740 20 5 GHBDMN CC(C)(C)N1CC[C@@H](NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 ZINC000617344252 879612369 /nfs/dbraw/zinc/61/23/69/879612369.db2.gz DWYFPOFGACEYTO-CQSZACIVSA-N 0 1 399.441 3.562 20 5 GHBDMN CC(C)(C)c1ccc(C(=O)N[C@@H](Cc2nc[nH]n2)c2ccccc2)cc1[N+](=O)[O-] ZINC000476825667 883225602 /nfs/dbraw/zinc/22/56/02/883225602.db2.gz UGKGYALDEKWVEF-KRWDZBQOSA-N 0 1 393.447 3.724 20 5 GHBDMN Cc1ccc2nc(CNC(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)[nH]c2c1 ZINC000476915560 883393294 /nfs/dbraw/zinc/39/32/94/883393294.db2.gz QWNWOHHIKMXOKB-UHFFFAOYSA-N 0 1 382.423 3.796 20 5 GHBDMN CCN(CC)CC(=O)Nc1cccc(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)c1 ZINC000805312381 883780160 /nfs/dbraw/zinc/78/01/60/883780160.db2.gz OETAFVJPHSCNNQ-RAXLEYEMSA-N 0 1 396.447 3.527 20 5 GHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(Sc3ccncc3)cc2)cc1 ZINC000152560705 883998658 /nfs/dbraw/zinc/99/86/58/883998658.db2.gz HPXXSOXYXSZADK-UHFFFAOYSA-N 0 1 387.442 3.942 20 5 GHBDMN Cc1cc(NC(=O)c2cc3ccccc3cc2NS(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000777129387 884159099 /nfs/dbraw/zinc/15/90/99/884159099.db2.gz MVCPZHKMHAYXMB-UHFFFAOYSA-N 0 1 399.428 3.680 20 5 GHBDMN CC(C)(C(=O)Nc1nc(-c2ccccc2Cl)n[nH]1)c1ccccc1[N+](=O)[O-] ZINC000556219340 884172848 /nfs/dbraw/zinc/17/28/48/884172848.db2.gz GITKXZFFSDSTDF-UHFFFAOYSA-N 0 1 385.811 3.950 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](C)N(Cc3ccccc3)[C@H](C)[C@H]2C)c1 ZINC001130458422 884264484 /nfs/dbraw/zinc/26/44/84/884264484.db2.gz MXUCIXVQRBZXNC-GVDBMIGSSA-N 0 1 397.475 3.727 20 5 GHBDMN Cc1cc(Br)ccc1S(=O)(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000475825441 884388951 /nfs/dbraw/zinc/38/89/51/884388951.db2.gz FZBJUXAAWIPXRX-UHFFFAOYSA-N 0 1 389.202 3.606 20 5 GHBDMN CC(=O)c1ccc(Cl)c(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000191176837 884527706 /nfs/dbraw/zinc/52/77/06/884527706.db2.gz CASLYHFAVMXECI-UHFFFAOYSA-N 0 1 389.216 3.905 20 5 GHBDMN COc1ccc(C(=O)N2C[C@H](C)N(Cc3ccccc3)[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC001130668727 884808781 /nfs/dbraw/zinc/80/87/81/884808781.db2.gz PNUUNDVEKJBBTN-ULQDDVLXSA-N 0 1 397.475 3.727 20 5 GHBDMN CCN(CCNC(=O)c1cc([N+](=O)[O-])cc2ccccc21)CCC(F)(F)F ZINC000861317978 885389576 /nfs/dbraw/zinc/38/95/76/885389576.db2.gz BIDYLJPFBHNPAA-UHFFFAOYSA-N 0 1 383.370 3.752 20 5 GHBDMN COc1ccc(NC(=O)CN2CCC[C@H](c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000532517954 885916574 /nfs/dbraw/zinc/91/65/74/885916574.db2.gz HRWBQTMMLOQMLP-KRWDZBQOSA-N 0 1 383.448 3.812 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1C[C@@H](c2ccccc2)C[C@H]1C ZINC000532574469 886143438 /nfs/dbraw/zinc/14/34/38/886143438.db2.gz JWAUQCSVUZDCFL-VYDXJSESSA-N 0 1 383.448 3.808 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1C[C@H](c2ccccc2)C[C@H]1C ZINC000532574458 886143702 /nfs/dbraw/zinc/14/37/02/886143702.db2.gz JWAUQCSVUZDCFL-HLLBOEOZSA-N 0 1 383.448 3.808 20 5 GHBDMN CCC(=O)c1ccc(Cl)c(NS(=O)(=O)c2cc(F)ccc2[N+](=O)[O-])c1 ZINC000794595523 887663042 /nfs/dbraw/zinc/66/30/42/887663042.db2.gz OBYWQGVPBLFXSN-UHFFFAOYSA-N 0 1 386.788 3.781 20 5 GHBDMN CCC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000794596466 887663103 /nfs/dbraw/zinc/66/31/03/887663103.db2.gz NWPMGXHIWVHTPC-UHFFFAOYSA-N 0 1 398.824 3.650 20 5 GHBDMN O=[N+]([O-])c1ccc2c(c1)[C@H](NCc1ccncc1OC[C@H]1CCOC1)CCC2 ZINC000287229021 913201475 /nfs/dbraw/zinc/20/14/75/913201475.db2.gz GNQGCHQMSQNZMJ-MGPUTAFESA-N 0 1 383.448 3.572 20 5 GHBDMN Cc1cc(C)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Cl)c1 ZINC000916103387 888725092 /nfs/dbraw/zinc/72/50/92/888725092.db2.gz UELHFTKBJJWIBB-UHFFFAOYSA-N 0 1 385.785 3.574 20 5 GHBDMN CC[C@H](N[C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-])c1nnc2n1CCCCC2 ZINC000866254127 888800426 /nfs/dbraw/zinc/80/04/26/888800426.db2.gz MBSZOXKTDDVMEU-BBRMVZONSA-N 0 1 375.448 3.724 20 5 GHBDMN N=C1Nc2nc3ccccc3n2[C@@H](c2cc(Cl)cc(Cl)c2[N+](=O)[O-])N1 ZINC000811637524 889833055 /nfs/dbraw/zinc/83/30/55/889833055.db2.gz AQOANRHKYYCTJY-ZDUSSCGKSA-N 0 1 377.191 3.748 20 5 GHBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000795106539 890297903 /nfs/dbraw/zinc/29/79/03/890297903.db2.gz XPQKCTWUUVAJTQ-HLLBOEOZSA-N 0 1 375.469 3.987 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1cccc(C(=O)NC[C@H]2CCCO2)c1 ZINC000154234070 890605181 /nfs/dbraw/zinc/60/51/81/890605181.db2.gz YBPRFFRQWPMLQY-OXQOHEQNSA-N 0 1 397.475 3.663 20 5 GHBDMN O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1NC[C@H](c1ccco1)N1CCCCC1 ZINC000916986932 890689440 /nfs/dbraw/zinc/68/94/40/890689440.db2.gz OUXXOGMVIFKNKQ-LJQANCHMSA-N 0 1 398.463 3.719 20 5 GHBDMN O=[N+]([O-])c1ccccc1N1CCN(C[C@H](O)c2ccc3ccccc3c2)CC1 ZINC000916968882 890694331 /nfs/dbraw/zinc/69/43/31/890694331.db2.gz NXFMRPRMAFHRDV-QFIPXVFZSA-N 0 1 377.444 3.604 20 5 GHBDMN CSc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@H]1CS(=O)(=O)c2ccccc21 ZINC000872074396 891141204 /nfs/dbraw/zinc/14/12/04/891141204.db2.gz DMUVPURDSFIOSL-STQMWFEESA-N 0 1 392.502 3.538 20 5 GHBDMN COc1cccc([C@H]2[C@@H](NC(=O)c3c(C)cccc3[N+](=O)[O-])CCN2C2CC2)c1 ZINC000248732212 891463313 /nfs/dbraw/zinc/46/33/13/891463313.db2.gz LBXBWNKTHVGRQV-RXVVDRJESA-N 0 1 395.459 3.620 20 5 GHBDMN Cc1n[nH]c(C(F)F)c1NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000497866631 892621348 /nfs/dbraw/zinc/62/13/48/892621348.db2.gz DPKMAIXYWDUWON-UHFFFAOYSA-N 0 1 379.348 3.940 20 5 GHBDMN CC(C)CNC(=O)C1CCN(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000876560427 893230585 /nfs/dbraw/zinc/23/05/85/893230585.db2.gz LTXVCKDYKFAWPE-UHFFFAOYSA-N 0 1 387.402 3.598 20 5 GHBDMN O=C(Cc1[nH]nc2ccccc21)OCc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000815196895 893545208 /nfs/dbraw/zinc/54/52/08/893545208.db2.gz LWYQWZGXPPLPKG-UHFFFAOYSA-N 0 1 379.294 3.776 20 5 GHBDMN Cc1ccc(Br)c(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000536702265 893579031 /nfs/dbraw/zinc/57/90/31/893579031.db2.gz FTXVUXZWNZJZDX-UHFFFAOYSA-N 0 1 385.239 3.775 20 5 GHBDMN COC(=O)Cc1ccccc1CNCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000877620868 893725285 /nfs/dbraw/zinc/72/52/85/893725285.db2.gz KQBVTQCXEVGUDS-UHFFFAOYSA-N 0 1 382.338 3.619 20 5 GHBDMN CCOc1ccc([C@H](C)NCc2ccc(C(=O)OC)c(OC)c2)cc1[N+](=O)[O-] ZINC000536828236 893858866 /nfs/dbraw/zinc/85/88/66/893858866.db2.gz QNNCGZIGPMBXFU-ZDUSSCGKSA-N 0 1 388.420 3.640 20 5 GHBDMN O=C(Nc1nnc(-c2ccccn2)s1)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000563613847 893976273 /nfs/dbraw/zinc/97/62/73/893976273.db2.gz QQVAWQHMMRNCJU-UHFFFAOYSA-N 0 1 395.322 3.779 20 5 GHBDMN C[C@@H](NCc1cccc(C(=O)NCc2ccco2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000536875536 893988408 /nfs/dbraw/zinc/98/84/08/893988408.db2.gz HQHWOZHJSPWEME-OAHLLOKOSA-N 0 1 379.416 3.969 20 5 GHBDMN CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1 ZINC000476021955 894118640 /nfs/dbraw/zinc/11/86/40/894118640.db2.gz CWNXSBYNKUDJTQ-UHFFFAOYSA-N 0 1 391.811 3.687 20 5 GHBDMN COc1ccc([C@@H](Cc2ccc(F)cc2)NCc2c([N+](=O)[O-])ncn2C)cc1 ZINC000537076095 894300523 /nfs/dbraw/zinc/30/05/23/894300523.db2.gz QQJRGBDIEUZQAN-GOSISDBHSA-N 0 1 384.411 3.550 20 5 GHBDMN Cc1cc(N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000565034950 895360564 /nfs/dbraw/zinc/36/05/64/895360564.db2.gz JBZRYXGIAKYIMV-QFIPXVFZSA-N 0 1 395.459 3.704 20 5 GHBDMN CC[C@@H](CN[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)OC ZINC000565276380 895496859 /nfs/dbraw/zinc/49/68/59/895496859.db2.gz PDAPZKVPCQSUEP-MAUKXSAKSA-N 0 1 391.855 3.943 20 5 GHBDMN C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H](O)COc1ccc2ccccc2c1 ZINC000565849213 895928919 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JFWNLSMQVYZNLF-MJEQTWJJSA-N 0 1 383.286 3.873 20 5 GHBDMN CC(C)(C)O[C@@H]1C[C@@H](NCc2cc(Cl)ccc2[N+](=O)[O-])[C@H]1n1cccn1 ZINC000825118950 899991444 /nfs/dbraw/zinc/99/14/44/899991444.db2.gz ZOUFRUHSMPDWMI-DJIMGWMZSA-N 0 1 378.860 3.732 20 5 GHBDMN C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000844210701 900605216 /nfs/dbraw/zinc/60/52/16/900605216.db2.gz YWBKIDAECZIVGJ-VJEFCYKCSA-N 0 1 381.432 3.625 20 5 GHBDMN C[C@@H]1C[C@H](Nc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000844212446 900607079 /nfs/dbraw/zinc/60/70/79/900607079.db2.gz XNNUSWIMZCRLFX-BQULGAROSA-N 0 1 381.432 3.768 20 5 GHBDMN C[C@@](O)(CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(F)cc1 ZINC000157760861 900810862 /nfs/dbraw/zinc/81/08/62/900810862.db2.gz NTKQJMHCMHFAEM-LJQANCHMSA-N 0 1 387.436 3.855 20 5 GHBDMN CCn1c(C)nc([N+](=O)[O-])c1N1CCN(Cc2cccc3ccccc32)CC1 ZINC000575352904 901207200 /nfs/dbraw/zinc/20/72/00/901207200.db2.gz AKNFQRZOEARFGR-UHFFFAOYSA-N 0 1 379.464 3.595 20 5 GHBDMN CC[C@H]1CN(Cc2ccc([N+](=O)[O-])c(OC)c2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000778950446 902097915 /nfs/dbraw/zinc/09/79/15/902097915.db2.gz KHTSBPMWSZWQQI-JKSUJKDBSA-N 0 1 393.484 3.729 20 5 GHBDMN CC(C)[N@@H+](CCOc1ccc(/C=C/C(=O)[O-])cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000846240968 902816658 /nfs/dbraw/zinc/81/66/58/902816658.db2.gz QJWJBTLENXNZSE-KPKJPENVSA-N 0 1 384.432 3.982 20 5 GHBDMN CCOc1cc(CN2CC[C@@](C)(CNC(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000801577635 921151455 /nfs/dbraw/zinc/15/14/55/921151455.db2.gz PGWWZYZPXPWKIW-FQEVSTJZSA-N 0 1 393.484 3.730 20 5 GHBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[C@](CO)(c2ccccc2)C1 ZINC000801582087 921160617 /nfs/dbraw/zinc/16/06/17/921160617.db2.gz RYBMUDWFHFFFOG-QFIPXVFZSA-N 0 1 384.476 3.908 20 5 GHBDMN CC[S@@](=O)[C@H]1CCC[C@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000175863465 905688004 /nfs/dbraw/zinc/68/80/04/905688004.db2.gz QOHQJAQULDJSSJ-SJUHQFKNSA-N 0 1 393.534 3.888 20 5 GHBDMN O=[N+]([O-])c1cc(F)c(N2CCC(N3Cc4ccc(F)cc4C3)CC2)c(F)c1 ZINC001173017595 906095655 /nfs/dbraw/zinc/09/56/55/906095655.db2.gz GSOVDFFOTUHOMJ-UHFFFAOYSA-N 0 1 377.366 3.997 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2C[C@@H]3C(=O)c4ccccc4[C@@H]3C2)c1F ZINC001173181386 906261341 /nfs/dbraw/zinc/26/13/41/906261341.db2.gz PJABEVPFPVWYMU-DQYPLSBCSA-N 0 1 384.407 3.585 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CC[C@@H](Oc3ccc(C)cn3)C2)c1F ZINC001173193622 906276686 /nfs/dbraw/zinc/27/66/86/906276686.db2.gz UQZYXAWHQIAOCK-LSDHHAIUSA-N 0 1 389.427 3.530 20 5 GHBDMN CN(Cc1cccc([N+](=O)[O-])c1)C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001175348661 907486969 /nfs/dbraw/zinc/48/69/69/907486969.db2.gz AOGWNEDXDNSOTF-MRXNPFEDSA-N 0 1 385.247 3.773 20 5 GHBDMN O=C([O-])[C@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000186908760 908004603 /nfs/dbraw/zinc/00/46/03/908004603.db2.gz LYAULXUTPQPDOF-XOKHGSTOSA-N 0 1 385.420 3.510 20 5 GHBDMN CC(C)c1n[nH]c(COC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)n1 ZINC000795287575 909722324 /nfs/dbraw/zinc/72/23/24/909722324.db2.gz BRKJBROYOSXGCN-UHFFFAOYSA-N 0 1 395.419 3.805 20 5 GHBDMN CC(C)c1nc(COC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)n[nH]1 ZINC000795287575 909722334 /nfs/dbraw/zinc/72/23/34/909722334.db2.gz BRKJBROYOSXGCN-UHFFFAOYSA-N 0 1 395.419 3.805 20 5 GHBDMN O=C(N[C@@H]1CCCc2cn[nH]c21)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000269677007 910332195 /nfs/dbraw/zinc/33/21/95/910332195.db2.gz KAIKMINANDOTMJ-SNVBAGLBSA-N 0 1 399.632 3.541 20 5 GHBDMN COc1ccccc1[C@H](CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCCC1 ZINC000015128560 919364671 /nfs/dbraw/zinc/36/46/71/919364671.db2.gz IMLRNIJBYPXUQG-SFHVURJKSA-N 0 1 386.408 3.761 20 5 GHBDMN Cc1cc(C2CCN(C(=O)c3cc(C(F)(F)F)ccc3[N+](=O)[O-])CC2)n[nH]1 ZINC000297517156 919392561 /nfs/dbraw/zinc/39/25/61/919392561.db2.gz ODKFGGGACQWMNZ-UHFFFAOYSA-N 0 1 382.342 3.665 20 5 GHBDMN C[C@H](c1ccccc1)N1CC[C@](F)(COC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000802146679 921860612 /nfs/dbraw/zinc/86/06/12/921860612.db2.gz ORIANTKEBFJFFF-IIBYNOLFSA-N 0 1 386.423 3.856 20 5 GHBDMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000903700334 923218716 /nfs/dbraw/zinc/21/87/16/923218716.db2.gz BRMSUHICJOQGNE-XEGUGMAKSA-N 0 1 383.242 3.575 20 5 GHBDMN CCCC[N@@H+](CC)Cc1cccc(CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c1 ZINC001137289724 924327671 /nfs/dbraw/zinc/32/76/71/924327671.db2.gz BMTXLSDNXHIPGV-UHFFFAOYSA-N 0 1 385.464 3.852 20 5 GHBDMN O=C(Nc1nnc(Cc2ccccc2)s1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000750561785 927718059 /nfs/dbraw/zinc/71/80/59/927718059.db2.gz JCBLDCOFELRYCN-UHFFFAOYSA-N 0 1 376.344 3.568 20 5 GHBDMN Cc1ccc(C=Cc2n[nH]c(S[C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])n2)o1 ZINC000012840962 927949534 /nfs/dbraw/zinc/94/95/34/927949534.db2.gz DZRFHXPPHBJYDO-VMPCVLLUSA-N 0 1 399.432 3.904 20 5 GHBDMN CC(C)CCOc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000467772254 929396028 /nfs/dbraw/zinc/39/60/28/929396028.db2.gz NJJTVJLFMVGODX-UHFFFAOYSA-N 0 1 380.422 3.526 20 5 GHBDMN CC1(c2ccccc2)CCN(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000753804758 929544427 /nfs/dbraw/zinc/54/44/27/929544427.db2.gz BWZLLHZUFGZBBC-UHFFFAOYSA-N 0 1 377.448 3.865 20 5 GHBDMN C[C@H](CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CCCCC1 ZINC000780414722 930511725 /nfs/dbraw/zinc/51/17/25/930511725.db2.gz FDZFUTLEONRXDL-CYBMUJFWSA-N 0 1 399.441 3.564 20 5 GHBDMN COc1cc([N+](=O)[O-])c(C(=O)N(C)Cc2cc(C(C)(C)C)[nH]n2)cc1SC ZINC000470317018 930527206 /nfs/dbraw/zinc/52/72/06/930527206.db2.gz HTOWURCDEVRYHH-UHFFFAOYSA-N 0 1 392.481 3.618 20 5 GHBDMN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000782505015 931245402 /nfs/dbraw/zinc/24/54/02/931245402.db2.gz VSDCSGHJIVWGPB-CHWSQXEVSA-N 0 1 383.876 3.983 20 5 GHBDMN Cc1ccc([C@H]2C[C@@H](C)[N@H+](Cn3cnc(-c4cccc([N+](=O)[O-])c4)n3)C2)cc1 ZINC000782954717 931374494 /nfs/dbraw/zinc/37/44/94/931374494.db2.gz NTXOHGKCDGGMTQ-APWZRJJASA-N 0 1 377.448 3.997 20 5 GHBDMN O=C(NC1(Cc2ccccc2Br)CC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000558027242 931807159 /nfs/dbraw/zinc/80/71/59/931807159.db2.gz XFFMSDKAJGFVIS-UHFFFAOYSA-N 0 1 391.221 3.568 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1COC(=O)c1[nH]c(-c2cccc(C)c2)nc1C ZINC000797475387 932297537 /nfs/dbraw/zinc/29/75/37/932297537.db2.gz BXBABGZHLSUEBO-UHFFFAOYSA-N 0 1 381.388 3.967 20 5 GHBDMN O=[N+]([O-])c1cnn(CCN2CCCC[C@H]2Cc2ccccc2Br)c1 ZINC000559479657 932699547 /nfs/dbraw/zinc/69/95/47/932699547.db2.gz TXXXBDJOXCHUQW-HNNXBMFYSA-N 0 1 393.285 3.651 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1CN[C@H](CNC(=O)OC(C)(C)C)C(C)(C)C ZINC000799202997 932914140 /nfs/dbraw/zinc/91/41/40/932914140.db2.gz FCHNOYGOASCQHQ-MRXNPFEDSA-N 0 1 381.473 3.632 20 5 GHBDMN C[C@@H](c1ccccc1)[C@H](CO)NCc1ccc([N+](=O)[O-])cc1Br ZINC001116650901 933683390 /nfs/dbraw/zinc/68/33/90/933683390.db2.gz GVVAVNCFCUTFPC-SJCJKPOMSA-N 0 1 379.254 3.612 20 5 GHBDMN O=[N+]([O-])c1ccc(CN[C@H](CCO)c2cccc(OC(F)(F)F)c2)cc1F ZINC000829821650 935868440 /nfs/dbraw/zinc/86/84/40/935868440.db2.gz RBOOZRRPEVGFDJ-OAHLLOKOSA-N 0 1 388.317 3.846 20 5 GHBDMN CC1(C)C[C@H](c2ccccc2)C[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001575639442 950870015 /nfs/dbraw/zinc/87/00/15/950870015.db2.gz BOAZXZBGFABPQZ-KRWDZBQOSA-N 0 1 378.436 3.543 20 5 GHBDMN O=C([O-])C1([NH2+]Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CCCCCC1 ZINC001594883517 954448552 /nfs/dbraw/zinc/44/85/52/954448552.db2.gz VTZFMDDEBQGRDM-UHFFFAOYSA-N 0 1 394.815 3.565 20 5 GHBDMN C[C@H]1CCCC[N@H+]1Cc1ccccc1CNc1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000574329009 974780682 /nfs/dbraw/zinc/78/06/82/974780682.db2.gz WJLMBVJELCPONL-AWEZNQCLSA-N 0 1 384.436 3.675 20 5 GHBDMN CCC[N@@H+](Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)[C@@H]1CCCc2cccnc21 ZINC001595899789 982949673 /nfs/dbraw/zinc/94/96/73/982949673.db2.gz KLCONFATAFVHAY-QGZVFWFLSA-N 0 1 399.447 3.743 20 5 GHBDMN C[C@H]([NH2+]Cc1cc(C(=O)[O-])ccc1Br)c1ccc([N+](=O)[O-])cc1 ZINC001599901615 984841317 /nfs/dbraw/zinc/84/13/17/984841317.db2.gz QKSHQNMQKSMMCV-JTQLQIEISA-N 0 1 379.210 3.906 20 5 GHBDMN COc1cccc(-c2cc(-c3nc(Cc4ccc([N+](=O)[O-])c(C)c4)no3)[nH]n2)c1 ZINC000545078478 1015493946 /nfs/dbraw/zinc/49/39/46/1015493946.db2.gz JOGJCDVMIMKVJK-UHFFFAOYSA-N 0 1 391.387 3.943 20 5 GHBDMN CCc1nn(-c2ccccc2)c(CC)c1CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000468482425 1015743114 /nfs/dbraw/zinc/74/31/14/1015743114.db2.gz BPVQWJFBZQUPCI-UHFFFAOYSA-N 0 1 394.431 3.541 20 5 GHBDMN C[C@@]([NH2+]Cc1c(F)cccc1Br)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593286505 994646032 /nfs/dbraw/zinc/64/60/32/994646032.db2.gz UUJOUNCVNZSRIA-INIZCTEOSA-N 0 1 397.200 3.586 20 5 GHBDMN CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001593942824 996972208 /nfs/dbraw/zinc/97/22/08/996972208.db2.gz PYTVNSUHXBYLBY-FQEVSTJZSA-N 0 1 397.475 3.683 20 5 GHBDMN CC1(C)CN(Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001593942824 996972222 /nfs/dbraw/zinc/97/22/22/996972222.db2.gz PYTVNSUHXBYLBY-FQEVSTJZSA-N 0 1 397.475 3.683 20 5 GHBDMN CN(C)[C@H]1CCOc2c(NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)cccc21 ZINC000469106301 1016487545 /nfs/dbraw/zinc/48/75/45/1016487545.db2.gz RFPVSMXTAJUVPP-SFHVURJKSA-N 0 1 383.448 3.896 20 5 GHBDMN O=c1c2ccccc2oc2cc(O[C@H]3CC[C@H](N4CCOCC4)CC3)ccc21 ZINC001228182971 1032826922 /nfs/dbraw/zinc/82/69/22/1032826922.db2.gz IMMJBKBMFNPGFI-QAQDUYKDSA-N 0 1 379.456 3.968 20 5 GHBDMN COC[C@@H](C)N(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])[C@H]1CCc2ccccc21 ZINC000600794697 1020259884 /nfs/dbraw/zinc/25/98/84/1020259884.db2.gz WDLDSDPUGMGYKA-CJNGLKHVSA-N 0 1 386.452 3.606 20 5 GHBDMN COc1cc(CNc2cc(C)cc(CNC(=O)C(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000834669424 1021357533 /nfs/dbraw/zinc/35/75/33/1021357533.db2.gz YTGITEMHUJOPBP-UHFFFAOYSA-N 0 1 397.353 3.702 20 5 GHBDMN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(CN(C)C)c(F)c1 ZINC000749154179 1021760635 /nfs/dbraw/zinc/76/06/35/1021760635.db2.gz VWGHJHHAVUBAEL-GFCCVEGCSA-N 0 1 377.441 3.915 20 5 GHBDMN O=c1[nH]c(C2CC2)nc(O[C@H]2CCc3c2cccc3Br)c1[N+](=O)[O-] ZINC001228604278 1033002871 /nfs/dbraw/zinc/00/28/71/1033002871.db2.gz QFBJRYHXXQDHOH-LBPRGKRZSA-N 0 1 392.209 3.797 20 5 GHBDMN O=[N+]([O-])c1cc(C(F)(F)n2cncc2CNCc2ccccc2)cnc1Cl ZINC001156482005 1033057145 /nfs/dbraw/zinc/05/71/45/1033057145.db2.gz CCUBRKQIIHFWPG-UHFFFAOYSA-N 0 1 393.781 3.727 20 5 GHBDMN CCOc1cc(CN2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000755047823 1023043875 /nfs/dbraw/zinc/04/38/75/1023043875.db2.gz KDNIFCFQIXHAPZ-HOCLYGCPSA-N 0 1 393.484 3.729 20 5 GHBDMN C[C@H](c1ccccn1)N1CCC[C@H](Oc2c3ccccc3oc(=O)c2[N+](=O)[O-])C1 ZINC001228805510 1033107055 /nfs/dbraw/zinc/10/70/55/1033107055.db2.gz KPTPQFYKPFNLCZ-CABCVRRESA-N 0 1 395.415 3.701 20 5 GHBDMN C[C@@H](c1ccccn1)N1CCC[C@@H](Oc2c3ccccc3oc(=O)c2[N+](=O)[O-])C1 ZINC001228805517 1033108321 /nfs/dbraw/zinc/10/83/21/1033108321.db2.gz KPTPQFYKPFNLCZ-LSDHHAIUSA-N 0 1 395.415 3.701 20 5 GHBDMN CCc1c(NC(=O)C(C)=Cc2ccc([N+](=O)[O-])cc2)[nH]nc1-c1ccncc1 ZINC000755243010 1023150427 /nfs/dbraw/zinc/15/04/27/1023150427.db2.gz RLUSBHPAMAEAGV-SEYXRHQNSA-N 0 1 377.404 3.984 20 5 GHBDMN COC(=O)c1cc([N+](=O)[O-])c(O[C@H]2CC[C@@H](OCc3ccccc3)C2)cc1O ZINC001228813840 1033113012 /nfs/dbraw/zinc/11/30/12/1033113012.db2.gz GXMMJJQXFKGDLE-CABCVRRESA-N 0 1 387.388 3.604 20 5 GHBDMN O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)N[C@@H]2CCCC(F)(F)C2)c1Cl ZINC000830903357 1024232310 /nfs/dbraw/zinc/23/23/10/1024232310.db2.gz GOFXWIWKZDXSHU-SSDOTTSWSA-N 0 1 389.207 3.758 20 5 GHBDMN CC[C@](C)(CN1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)OC ZINC001205015961 1033209405 /nfs/dbraw/zinc/20/94/05/1033209405.db2.gz OUSBICUVGDYNSW-MRXNPFEDSA-N 0 1 375.391 3.551 20 5 GHBDMN CN(C)[C@@H](CNc1c2cccc(Cl)c2ncc1[N+](=O)[O-])c1ccsc1 ZINC001162090545 1025600295 /nfs/dbraw/zinc/60/02/95/1025600295.db2.gz LCGRZUXEYWONAR-AWEZNQCLSA-N 0 1 376.869 3.995 20 5 GHBDMN Cc1cc([N+](=O)[O-])cc(C(=O)N2CCN(Cc3ccccc3)C[C@H](C)C2)c1F ZINC000839416136 1025900799 /nfs/dbraw/zinc/90/07/99/1025900799.db2.gz RUZOJUKJMHQUPR-HNNXBMFYSA-N 0 1 385.439 3.636 20 5 GHBDMN CC(C)(C)[C@@H](CN1CCOCC1)Nc1ccc2c(ccc(Cl)c2[N+](=O)[O-])n1 ZINC001162876864 1025950921 /nfs/dbraw/zinc/95/09/21/1025950921.db2.gz VJOBPWURHFQOER-MRXNPFEDSA-N 0 1 392.887 3.955 20 5 GHBDMN Cc1ccc(-c2ccc(N3CCN(C)C[C@@H]3c3ccccc3)nn2)cc1[N+](=O)[O-] ZINC001163671280 1026276062 /nfs/dbraw/zinc/27/60/62/1026276062.db2.gz BABHBECJOQXQIY-OAQYLSRUSA-N 0 1 389.459 3.853 20 5 GHBDMN COC(=O)c1cc(OC)c(Br)cc1Nc1ccc(O)c([N+](=O)[O-])c1 ZINC001210397500 1027488796 /nfs/dbraw/zinc/48/87/96/1027488796.db2.gz CVPARYAUCKLXFY-UHFFFAOYSA-N 0 1 397.181 3.602 20 5 GHBDMN Cc1cc(-c2nc(-c3ccc(N4CCN(C)CC4)cc3)no2)cc(C)c1[N+](=O)[O-] ZINC001215404312 1029192270 /nfs/dbraw/zinc/19/22/70/1029192270.db2.gz MAUWMXXNJVUGIX-UHFFFAOYSA-N 0 1 393.447 3.680 20 5 GHBDMN COc1cc([N+](=O)[O-])c(-c2nc(-c3cc(F)c(F)cc3Cl)no2)cc1O ZINC001216343591 1029609990 /nfs/dbraw/zinc/60/99/90/1029609990.db2.gz LYIXRXIJDDSTSX-UHFFFAOYSA-N 0 1 383.694 3.958 20 5 GHBDMN Cc1cc(C)c([N+](=O)[O-])cc1-c1nc(-c2ccc(N3CCN(C)CC3)cc2)no1 ZINC001216835305 1029954219 /nfs/dbraw/zinc/95/42/19/1029954219.db2.gz HMXZQDCRWWGUKV-UHFFFAOYSA-N 0 1 393.447 3.680 20 5 GHBDMN COc1ccc(-c2noc(-c3ccc(O)cc3[N+](=O)[O-])n2)cc1Br ZINC001216891762 1029982599 /nfs/dbraw/zinc/98/25/99/1029982599.db2.gz VZXIIUQVUADYAZ-UHFFFAOYSA-N 0 1 392.165 3.789 20 5 GHBDMN O=[N+]([O-])c1cc(O)ccc1-c1nc(-c2ccc(Br)c(F)c2)no1 ZINC001216891994 1029982761 /nfs/dbraw/zinc/98/27/61/1029982761.db2.gz ZSDXGIOTZAQVGN-UHFFFAOYSA-N 0 1 380.129 3.919 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1-c1nc(-c2ncccc2/C=C/N2CCCC2)no1 ZINC001216938627 1030012868 /nfs/dbraw/zinc/01/28/68/1030012868.db2.gz AKVABWYELYMUND-XYOKQWHBSA-N 0 1 393.403 3.782 20 5 GHBDMN O=C(CCc1cc(F)ccc1[N+](=O)[O-])NCc1ccc(Nc2ccncc2)cc1 ZINC001149346927 1030143051 /nfs/dbraw/zinc/14/30/51/1030143051.db2.gz MUJHZEXTPCELNP-UHFFFAOYSA-N 0 1 394.406 3.543 20 5 GHBDMN Cc1ccc(-c2nc(-c3ccc(N4CCN(C)CC4)cc3)no2)c([N+](=O)[O-])c1C ZINC001217103892 1030169229 /nfs/dbraw/zinc/16/92/29/1030169229.db2.gz FYFSIYFYIGJUMD-UHFFFAOYSA-N 0 1 393.447 3.680 20 5 GHBDMN O=C(Nc1ccc(-n2ccc(=O)[nH]2)cc1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC001149650174 1030253162 /nfs/dbraw/zinc/25/31/62/1030253162.db2.gz ADNFFFCEGVZSDL-UHFFFAOYSA-N 0 1 380.385 3.953 20 5 GHBDMN Cc1sc(CN[C@](C)(CO)c2cccc([N+](=O)[O-])c2)cc1Br ZINC001461685808 1069678236 /nfs/dbraw/zinc/67/82/36/1069678236.db2.gz GTDINVHJJKOIBV-OAHLLOKOSA-N 0 1 385.283 3.725 20 5 GHBDMN Nc1ccc2n(C(=O)c3cc4cc(Cl)c[nH]c-4n3)c3ccccc3cc-2c1=O ZINC001151305517 1030854566 /nfs/dbraw/zinc/85/45/66/1030854566.db2.gz SWAHDJOJEOACQQ-UHFFFAOYSA-N 0 1 388.814 3.907 20 5 GHBDMN CCOc1ccccc1-c1cc(C(=O)N2CCc3cc(C)c([N+](=O)[O-])cc32)[nH]n1 ZINC001152464107 1031252104 /nfs/dbraw/zinc/25/21/04/1031252104.db2.gz JDAMQMORERFDJD-UHFFFAOYSA-N 0 1 392.415 3.895 20 5 GHBDMN CCN(CC)[C@@H](CNC(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-])c1ccco1 ZINC001225321775 1031347992 /nfs/dbraw/zinc/34/79/92/1031347992.db2.gz PRAZRBZUBPFZOT-QAPCUYQASA-N 0 1 388.468 3.674 20 5 GHBDMN COC(=O)c1cc2cc(NC(=O)c3cccc4nc5ccccc5nc43)cnc2[nH]1 ZINC001153864751 1031779656 /nfs/dbraw/zinc/77/96/56/1031779656.db2.gz MFJGOCGKHSNMJD-UHFFFAOYSA-N 0 1 397.394 3.698 20 5 GHBDMN Cc1nc(O[C@@H](C(=O)c2ccsc2)c2ccsc2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229380817 1033449027 /nfs/dbraw/zinc/44/90/27/1033449027.db2.gz LLPBJQGMKAOPFP-CYBMUJFWSA-N 0 1 377.403 3.525 20 5 GHBDMN CCOC(=O)[C@@H](Oc1ccc2c(c1)oc(=O)c1cc(O)ccc21)C(F)(F)F ZINC001229798300 1033722609 /nfs/dbraw/zinc/72/26/09/1033722609.db2.gz UPGOMVXMGRWQDI-OAHLLOKOSA-N 0 1 382.290 3.525 20 5 GHBDMN COC(=O)c1cc([N+](=O)[O-])c(C)cc1O[C@H]1CCCN([C@@H](C)c2ccccn2)C1 ZINC001229959822 1033818773 /nfs/dbraw/zinc/81/87/73/1033818773.db2.gz GRUXQGRNIKUFLV-HOTGVXAUSA-N 0 1 399.447 3.689 20 5 GHBDMN C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1Oc1cc2[nH]ncc2cc1[N+](=O)[O-] ZINC001230595531 1034138150 /nfs/dbraw/zinc/13/81/50/1034138150.db2.gz KJOVFJLBFVEOCP-MLGOLLRUSA-N 0 1 390.440 3.886 20 5 GHBDMN CC(C)(C)OC(=O)N1CC[C@@H]2C[C@H](Oc3cc4[nH]ncc4cc3[N+](=O)[O-])C[C@H]21 ZINC001230596926 1034139209 /nfs/dbraw/zinc/13/92/09/1034139209.db2.gz XEKBHNPCMKYHER-OSAQELSMSA-N 0 1 388.424 3.638 20 5 GHBDMN Cc1ccc2c(c1)nc(=O)[nH]c2OC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001230890148 1034275075 /nfs/dbraw/zinc/27/50/75/1034275075.db2.gz ZEMJKQCLWQCVDP-UHFFFAOYSA-N 0 1 380.404 3.600 20 5 GHBDMN Cc1cc(Br)c(O[C@H]2CC[C@@H](N3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC001230980957 1034322469 /nfs/dbraw/zinc/32/24/69/1034322469.db2.gz JXKODTJTGRORGB-OKILXGFUSA-N 0 1 399.285 3.688 20 5 GHBDMN Cc1cc(O)c([N+](=O)[O-])c(O[C@@H]2CCOc3ccc(Br)cc32)n1 ZINC001231260540 1034489894 /nfs/dbraw/zinc/48/98/94/1034489894.db2.gz UAFYLZZNLHPBFE-CYBMUJFWSA-N 0 1 381.182 3.669 20 5 GHBDMN O=[N+]([O-])c1ccc2nc(Cl)nc(NC3CCN(Cc4ccncc4)CC3)c2c1 ZINC001161101304 1035142618 /nfs/dbraw/zinc/14/26/18/1035142618.db2.gz VIJQJLIXIKLPBW-UHFFFAOYSA-N 0 1 398.854 3.663 20 5 GHBDMN CC(C)(C)OC(=O)N1C[C@@H]2CN(Cc3ccc4ccc5cccnc5c4n3)C[C@H]21 ZINC001232225329 1035171176 /nfs/dbraw/zinc/17/11/76/1035171176.db2.gz ATZLLJCZPKWKJA-PKOBYXMFSA-N 0 1 390.487 3.834 20 5 GHBDMN [NH3+]Cc1ccc(S(=O)(=O)[N-]c2nc3c(ccc4ccccc43)nc2Cl)cc1 ZINC001161748252 1035295083 /nfs/dbraw/zinc/29/50/83/1035295083.db2.gz KXSVFOICIJETDI-UHFFFAOYSA-N 0 1 398.875 3.696 20 5 GHBDMN O=[N+]([O-])c1ccc(C(F)(F)NC[C@@H]2CCCN2Cc2ccccc2)nc1Cl ZINC001161885454 1035321397 /nfs/dbraw/zinc/32/13/97/1035321397.db2.gz QHNYYWZAWRFDGF-AWEZNQCLSA-N 0 1 396.825 3.947 20 5 GHBDMN CC(C)(C)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)CC1 ZINC001253853304 1039864697 /nfs/dbraw/zinc/86/46/97/1039864697.db2.gz MQCWVEWKGFLQLQ-UHFFFAOYSA-N 0 1 396.491 3.763 20 5 GHBDMN O=C(N[C@@H](c1cccc(Cl)c1)C(F)F)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001462421641 1070241477 /nfs/dbraw/zinc/24/14/77/1070241477.db2.gz BWMVXKQUOHKOQC-ZDUSSCGKSA-N 0 1 380.738 3.861 20 5 GHBDMN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1C[C@H](NC(=O)OC(C)(C)C)CC[C@H]1C ZINC001254559205 1040329873 /nfs/dbraw/zinc/32/98/73/1040329873.db2.gz JQLICKRYAXNOOH-HLLBOEOZSA-N 0 1 377.485 3.903 20 5 GHBDMN COc1cccc(C(=O)C2CCN([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)c1 ZINC001254595436 1040369238 /nfs/dbraw/zinc/36/92/38/1040369238.db2.gz XHOPTVGZJWQBEU-FQEVSTJZSA-N 0 1 380.444 3.666 20 5 GHBDMN COc1cc(N2CCC([N@H+]3CCCC(F)(F)[C@@H](F)C3)CC2)ccc1[N+](=O)[O-] ZINC001256093053 1041521837 /nfs/dbraw/zinc/52/18/37/1041521837.db2.gz FIGRTRRRPJJFLZ-KRWDZBQOSA-N 0 1 387.402 3.641 20 5 GHBDMN COc1cc(N2CCC(N3CCCC(F)(F)[C@@H](F)C3)CC2)ccc1[N+](=O)[O-] ZINC001256093053 1041521844 /nfs/dbraw/zinc/52/18/44/1041521844.db2.gz FIGRTRRRPJJFLZ-KRWDZBQOSA-N 0 1 387.402 3.641 20 5 GHBDMN CC(C)c1ncc(CNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)[nH]1 ZINC001304108090 1047588301 /nfs/dbraw/zinc/58/83/01/1047588301.db2.gz PPBPGRIAPPLYOT-UHFFFAOYSA-N 0 1 396.397 3.736 20 5 GHBDMN C/C=C\COc1cccc(CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)c1 ZINC001306509152 1048712381 /nfs/dbraw/zinc/71/23/81/1048712381.db2.gz FWHAEMXDWDSWSH-IHWYPQMZSA-N 0 1 393.403 3.516 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc2nc(-c3ccncc3)[nH]c2c1 ZINC001306893418 1048947692 /nfs/dbraw/zinc/94/76/92/1048947692.db2.gz LADIACWMKYAHKB-UHFFFAOYSA-N 0 1 389.371 3.794 20 5 GHBDMN Cc1cnc(NCCCN2CCN(c3cccc(Cl)c3)CC2)c([N+](=O)[O-])c1 ZINC001306959769 1048980697 /nfs/dbraw/zinc/98/06/97/1048980697.db2.gz NIFQDCBBWREPQR-UHFFFAOYSA-N 0 1 389.887 3.576 20 5 GHBDMN O=C(C=Cc1ccc([N+](=O)[O-])cc1)Nc1nc2cccc(Br)c2[nH]1 ZINC001288718788 1049207761 /nfs/dbraw/zinc/20/77/61/1049207761.db2.gz WLQRJSNGOMPCHD-RMKNXTFCSA-N 0 1 387.193 3.886 20 5 GHBDMN CC1(C)CN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC001307460072 1049296375 /nfs/dbraw/zinc/29/63/75/1049296375.db2.gz CGBASDBMIJNTOC-UHFFFAOYSA-N 0 1 384.436 3.599 20 5 GHBDMN Cc1ccc(C(C)(C)CN(C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cc1 ZINC001307499321 1049339042 /nfs/dbraw/zinc/33/90/42/1049339042.db2.gz XTHNZYROOKNAJB-UHFFFAOYSA-N 0 1 381.476 3.702 20 5 GHBDMN O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@H]2CSc3ccccc3O2)c1 ZINC001308446973 1049978240 /nfs/dbraw/zinc/97/82/40/1049978240.db2.gz GHIZEABDMKVPDN-ZDUSSCGKSA-N 0 1 382.388 3.839 20 5 GHBDMN C[C@H](NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)[C@H](O)C(F)(F)F ZINC001308488649 1049988093 /nfs/dbraw/zinc/98/80/93/1049988093.db2.gz PIFUKNHIVCEKQZ-QFYYESIMSA-N 0 1 388.317 3.928 20 5 GHBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCc1ccc(-c2cccs2)cc1 ZINC001309662981 1050908065 /nfs/dbraw/zinc/90/80/65/1050908065.db2.gz PWHQCIHIIURNCO-UHFFFAOYSA-N 0 1 392.433 3.941 20 5 GHBDMN CC(C)(C)[C@@H]1CCC[C@H]1NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC001475381184 1051366107 /nfs/dbraw/zinc/36/61/07/1051366107.db2.gz FUOSRZOIFKQTIH-ZYHUDNBSSA-N 0 1 378.853 3.880 20 5 GHBDMN Cc1ccc(CN2CCCN(C(=O)Nc3ccc([N+](=O)[O-])c(C)c3)CC2)cc1 ZINC001320354567 1055768940 /nfs/dbraw/zinc/76/89/40/1055768940.db2.gz GAIZJYRLHXJLGM-UHFFFAOYSA-N 0 1 382.464 3.951 20 5 GHBDMN O=C1CCCN1[C@@H]1CCN(Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC001324538187 1057158715 /nfs/dbraw/zinc/15/87/15/1057158715.db2.gz XBVIFGASNKXUHR-CQSZACIVSA-N 0 1 389.839 3.705 20 5 GHBDMN CC(C)CCSc1ccc(C(=O)N2CC[C@@H](N3CCC3)C2)cc1[N+](=O)[O-] ZINC001453786798 1061206387 /nfs/dbraw/zinc/20/63/87/1061206387.db2.gz URSPFMZAWRODQZ-MRXNPFEDSA-N 0 1 377.510 3.653 20 5 GHBDMN O=C(NCc1ccc(Nc2ccncc2)cc1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001454206664 1061649138 /nfs/dbraw/zinc/64/91/38/1061649138.db2.gz BSQCPOBVTBFXGM-UHFFFAOYSA-N 0 1 388.383 3.832 20 5 GHBDMN C[C@H](NC(=O)c1n[nH]c2ccc(Br)cc21)c1ccc([N+](=O)[O-])cc1 ZINC001455704882 1062268240 /nfs/dbraw/zinc/26/82/40/1062268240.db2.gz XNSFYVICQCWFNL-VIFPVBQESA-N 0 1 389.209 3.725 20 5 GHBDMN O=C(NC[C@H]1CCC[N@H+]1CC1CCCCC1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001457614299 1063278582 /nfs/dbraw/zinc/27/85/82/1063278582.db2.gz SPJRHDLZZNOEMF-OAHLLOKOSA-N 0 1 395.887 3.728 20 5 GHBDMN Cc1cc(CNC(=O)C(F)(F)F)cc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC001460039197 1064367082 /nfs/dbraw/zinc/36/70/82/1064367082.db2.gz LTJZLTLFUYLUPJ-UHFFFAOYSA-N 0 1 395.337 3.642 20 5 GHBDMN CC(C)(NCc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C(=O)N1CCCC1 ZINC001353048070 1065585915 /nfs/dbraw/zinc/58/59/15/1065585915.db2.gz KBEQIAOIZHPFOP-UHFFFAOYSA-N 0 1 391.855 3.999 20 5 GHBDMN CCC[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2NC)CCN1Cc1ccccc1 ZINC001466401441 1066133648 /nfs/dbraw/zinc/13/36/48/1066133648.db2.gz QOUXPRAXEIBNQW-SFHVURJKSA-N 0 1 396.491 3.763 20 5 GHBDMN CCC[C@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC001357607778 1067190476 /nfs/dbraw/zinc/19/04/76/1067190476.db2.gz IIAVXXVOBAMVDZ-FQEVSTJZSA-N 0 1 381.476 3.650 20 5 GHBDMN O=C(Nc1ccc2nc(-c3ccccn3)[nH]c2c1)c1c(F)cccc1[N+](=O)[O-] ZINC001358230795 1067447640 /nfs/dbraw/zinc/44/76/40/1067447640.db2.gz CWHXSXITAKUPGY-UHFFFAOYSA-N 0 1 377.335 3.925 20 5 GHBDMN CC[C@H]1CN(C(=O)NCc2cccc([N+](=O)[O-])c2C)CCN1Cc1ccccc1 ZINC001469776769 1068380801 /nfs/dbraw/zinc/38/08/01/1068380801.db2.gz JVLANZVIAZGLNK-FQEVSTJZSA-N 0 1 396.491 3.709 20 5 GHBDMN CC[C@H](c1ccccc1)N1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2C)CC1 ZINC001469778829 1068382729 /nfs/dbraw/zinc/38/27/29/1068382729.db2.gz ZHBIJMPUUGPGPD-HXUWFJFHSA-N 0 1 396.491 3.882 20 5 GHBDMN O=C1[C@@H](N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CCCN1c1ccccc1 ZINC001460126660 1068796240 /nfs/dbraw/zinc/79/62/40/1068796240.db2.gz DZIDJOXQYKQTDG-NQIIRXRSSA-N 0 1 379.460 3.970 20 5 GHBDMN COc1cc2c(cc1OC)C(C)(C)N(CCOc1cccc([N+](=O)[O-])c1)CC2 ZINC001473758466 1074126690 /nfs/dbraw/zinc/12/66/90/1074126690.db2.gz MLJXKHDZIDLMHW-UHFFFAOYSA-N 0 1 386.448 3.784 20 5 GHBDMN COc1c(O)ccc(CN2CCC[C@@H]2Cc2cc(F)ccc2F)c1[N+](=O)[O-] ZINC001474586683 1074472156 /nfs/dbraw/zinc/47/21/56/1074472156.db2.gz SPPUJNGBCGVZIQ-OAHLLOKOSA-N 0 1 378.375 3.794 20 5 GHBDMN COC(=O)c1cnc([C@@H]2CCN(C/C(C)=C/c3cccc([N+](=O)[O-])c3)C2)s1 ZINC001474730756 1074536783 /nfs/dbraw/zinc/53/67/83/1074536783.db2.gz AQVIWWVPUTVFRP-XETPBLJFSA-N 0 1 387.461 3.731 20 5 GHBDMN CC[C@@H](C)[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl)C(F)(F)F ZINC001475245233 1074802609 /nfs/dbraw/zinc/80/26/09/1074802609.db2.gz MJZRFCKHORNDLL-JMCQJSRRSA-N 0 1 388.795 3.812 20 5 GHBDMN Cc1cc(N[C@H](Cc2[nH+]ccn2C)c2ccccc2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832896514 602319977 /nfs/dbraw/zinc/31/99/77/602319977.db2.gz AMEBNRBHGWMOID-QGZVFWFLSA-N 0 1 380.404 3.731 20 5 GHBDMN O=C([O-])[C@@H]1CCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000263386502 604528251 /nfs/dbraw/zinc/52/82/51/604528251.db2.gz CZHZOUBSCXCLLM-AWEZNQCLSA-N 0 1 395.209 3.666 20 5 GHBDMN O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000263519548 604679188 /nfs/dbraw/zinc/67/91/88/604679188.db2.gz QJTBSZAUJMOUMT-JLZZUVOBSA-N 0 1 387.461 3.936 20 5 GHBDMN Cc1cc(Cl)c([N+](=O)[O-])c(N2CCn3c(CN(C)C(C)C)cnc3[C@H]2C)n1 ZINC001164862362 720948555 /nfs/dbraw/zinc/94/85/55/720948555.db2.gz VEQIOSITMHDRSM-CYBMUJFWSA-N 0 1 392.891 3.570 20 5 GHBDMN O=C(c1ccccc1)c1cccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000120228711 834943411 /nfs/dbraw/zinc/94/34/11/834943411.db2.gz WUTAEENYECAJOH-UHFFFAOYSA-N 0 1 388.426 3.688 20 5 GHBDMN Cc1c([C@H](C)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)cccc1[N+](=O)[O-] ZINC000246873394 834978275 /nfs/dbraw/zinc/97/82/75/834978275.db2.gz DNYMEJWETDRTOA-ZOBUZTSGSA-N 0 1 384.480 3.763 20 5 GHBDMN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(CCC(F)(F)F)cc2)cs1 ZINC000120282678 835060261 /nfs/dbraw/zinc/06/02/61/835060261.db2.gz ZNTBGJFYZAMYCB-UHFFFAOYSA-N 0 1 380.369 3.952 20 5 GHBDMN C[C@H]1CCCCN1CCNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000547703117 835491010 /nfs/dbraw/zinc/49/10/10/835491010.db2.gz MMQXGLHWWNUBTC-ZDUSSCGKSA-N 0 1 399.441 3.564 20 5 GHBDMN CC[N@@H+](CCC1CCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1)CC1CC1 ZINC000584234631 835791305 /nfs/dbraw/zinc/79/13/05/835791305.db2.gz MPULNBGMNWWPNJ-UHFFFAOYSA-N 0 1 375.469 3.631 20 5 GHBDMN COc1ccc(NC(=O)CN[C@H](C)c2cccc(OC(C)C)c2)c([N+](=O)[O-])c1 ZINC000179683343 835949410 /nfs/dbraw/zinc/94/94/10/835949410.db2.gz QYDICZLLXWOOMZ-CQSZACIVSA-N 0 1 387.436 3.680 20 5 GHBDMN CCOc1ccccc1[C@H](CC)NCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000179755067 835967798 /nfs/dbraw/zinc/96/77/98/835967798.db2.gz CRVWYRJMZWEPPA-INIZCTEOSA-N 0 1 387.436 3.682 20 5 GHBDMN Cc1ccc2nc([C@@H]3CCCN3CCC(=O)Nc3ccccc3[N+](=O)[O-])[nH]c2c1 ZINC000411733803 836304489 /nfs/dbraw/zinc/30/44/89/836304489.db2.gz RSZMSAWUZJWAJF-IBGZPJMESA-N 0 1 393.447 3.945 20 5 GHBDMN O=C(NCc1nc2ccc(F)cc2[nH]1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000176113124 844174716 /nfs/dbraw/zinc/17/47/16/844174716.db2.gz KOOXQGRFEYMEFD-UHFFFAOYSA-N 0 1 397.391 3.664 20 5 GHBDMN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1nc(C)c(Cl)cc1Cl ZINC000180209777 836692045 /nfs/dbraw/zinc/69/20/45/836692045.db2.gz QAKZJNTYBIOGBH-UHFFFAOYSA-N 0 1 376.221 3.714 20 5 GHBDMN CCn1ccnc1[C@H]1OCC[C@@H]1NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000275470662 837097899 /nfs/dbraw/zinc/09/78/99/837097899.db2.gz HSHKTZIXJBFRGT-LPHOPBHVSA-N 0 1 382.420 3.691 20 5 GHBDMN Cc1cccc([C@@H]2CCCN2C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)n1 ZINC000580516542 837359501 /nfs/dbraw/zinc/35/95/01/837359501.db2.gz QJWDVUGMSZLMHZ-IBGZPJMESA-N 0 1 377.404 3.666 20 5 GHBDMN Cc1ccc(Br)c(NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c1 ZINC000121014501 837877309 /nfs/dbraw/zinc/87/73/09/837877309.db2.gz VVHPEWSVYVNFKC-UHFFFAOYSA-N 0 1 389.202 3.606 20 5 GHBDMN COc1ccc(OCCNC2(c3nc(C)cs3)CCCC2)c([N+](=O)[O-])c1 ZINC000177171233 837895230 /nfs/dbraw/zinc/89/52/30/837895230.db2.gz VKSLKOOPQFMVMD-UHFFFAOYSA-N 0 1 377.466 3.806 20 5 GHBDMN O=[N+]([O-])c1cc(Nc2cc(F)c(I)cc2F)ccc1O ZINC001210398023 838245670 /nfs/dbraw/zinc/24/56/70/838245670.db2.gz MUVPXIAKUIPGHK-UHFFFAOYSA-N 0 1 392.099 3.927 20 5 GHBDMN CN(C)[C@H](CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1cccs1 ZINC000128380519 838290731 /nfs/dbraw/zinc/29/07/31/838290731.db2.gz NCFSFSQWHAAQNX-QGZVFWFLSA-N 0 1 388.493 3.633 20 5 GHBDMN COc1ccccc1C(C)(C)NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000103484653 838413978 /nfs/dbraw/zinc/41/39/78/838413978.db2.gz XEKMHVWPSPSMON-UHFFFAOYSA-N 0 1 377.828 3.720 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC000122860381 838449640 /nfs/dbraw/zinc/44/96/40/838449640.db2.gz RUZQXOXKLVVLCR-MRXNPFEDSA-N 0 1 388.424 3.545 20 5 GHBDMN Cc1ccc(-c2n[nH]c(NC(=O)CCOc3cc(C)ccc3[N+](=O)[O-])c2C)o1 ZINC000416250893 838818408 /nfs/dbraw/zinc/81/84/08/838818408.db2.gz HCYDMCSQWJEFMH-UHFFFAOYSA-N 0 1 384.392 3.911 20 5 GHBDMN C[C@]1(c2ccccc2)CCCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC001167367479 839047887 /nfs/dbraw/zinc/04/78/87/839047887.db2.gz KKDBONGNOKOYML-UNMCSNQZSA-N 0 1 379.460 3.754 20 5 GHBDMN O=[N+]([O-])c1ccccc1/C=C\CN1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000255301765 839171881 /nfs/dbraw/zinc/17/18/81/839171881.db2.gz UNMPEEGGKXXTDD-KKMIYCERSA-N 0 1 381.480 3.806 20 5 GHBDMN CCOC(=O)[C@H]1CC[C@@H](NCc2cc([N+](=O)[O-])ccc2OC)c2ccccc21 ZINC000549228545 839414361 /nfs/dbraw/zinc/41/43/61/839414361.db2.gz OXHKNEFOTWEIJI-RBUKOAKNSA-N 0 1 384.432 3.875 20 5 GHBDMN CC(C)(NC[C@H](O)COc1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1F ZINC000473441632 844447716 /nfs/dbraw/zinc/44/77/16/844447716.db2.gz GAIPXPLOYOLQDB-ZDUSSCGKSA-N 0 1 382.819 3.652 20 5 GHBDMN O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCNC[C@H]1c1cccc(Cl)c1 ZINC000261806853 839749701 /nfs/dbraw/zinc/74/97/01/839749701.db2.gz HGTJVCOQMYGBLQ-KRWDZBQOSA-N 0 1 391.880 3.513 20 5 GHBDMN COC(=O)COc1ccc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)cc1[N+](=O)[O-] ZINC000473452120 844481377 /nfs/dbraw/zinc/48/13/77/844481377.db2.gz GOXDSAWZHPVNNV-UHFFFAOYSA-N 0 1 395.293 3.709 20 5 GHBDMN O=C(c1c([N+](=O)[O-])cccc1C(F)(F)F)N1CCN(CC2CCCCC2)CC1 ZINC001125469003 840066540 /nfs/dbraw/zinc/06/65/40/840066540.db2.gz FWWCGWJMORZDKA-UHFFFAOYSA-N 0 1 399.413 3.952 20 5 GHBDMN O=[N+]([O-])c1cc(CN(Cc2ccccc2)CC2(O)CCCC2)c2c(c1)COCO2 ZINC000134314168 840202139 /nfs/dbraw/zinc/20/21/39/840202139.db2.gz AQBMRBXYMAVQJE-UHFFFAOYSA-N 0 1 398.459 3.769 20 5 GHBDMN O=C(N[C@H](c1ccccc1)[C@H]1CCCc2ccccc21)c1n[nH]cc1[N+](=O)[O-] ZINC000120292548 840230080 /nfs/dbraw/zinc/23/00/80/840230080.db2.gz ZDUFBERVDOQOAJ-PKOBYXMFSA-N 0 1 376.416 3.909 20 5 GHBDMN O=C(N[C@@H](c1ccccc1)[C@@H]1CCCc2ccccc21)c1n[nH]cc1[N+](=O)[O-] ZINC000120292060 840235741 /nfs/dbraw/zinc/23/57/41/840235741.db2.gz ZDUFBERVDOQOAJ-MJGOQNOKSA-N 0 1 376.416 3.909 20 5 GHBDMN CC(C)(C)c1ccc(-c2n[nH]c(NC(=O)COc3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000511694405 840531181 /nfs/dbraw/zinc/53/11/81/840531181.db2.gz BDIGESUSZXSOHX-UHFFFAOYSA-N 0 1 395.419 3.695 20 5 GHBDMN COc1ccccc1[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1C)N1CCCCC1 ZINC000511834294 840908040 /nfs/dbraw/zinc/90/80/40/840908040.db2.gz KJCQBBFEJXLHGO-HXUWFJFHSA-N 0 1 397.475 3.869 20 5 GHBDMN COc1cc(Cl)c(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1Cl ZINC000105589391 841595933 /nfs/dbraw/zinc/59/59/33/841595933.db2.gz TYUBRIAPNLZQJJ-UHFFFAOYSA-N 0 1 377.205 3.711 20 5 GHBDMN COC[C@](C)(CO)NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000610519009 841858492 /nfs/dbraw/zinc/85/84/92/841858492.db2.gz XNIFAHCVHASGHP-SFHVURJKSA-N 0 1 380.828 3.528 20 5 GHBDMN Cc1c(CN2CCSCC2)cccc1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000061308658 861280152 /nfs/dbraw/zinc/28/01/52/861280152.db2.gz ZCDLVTKKINMMGU-UHFFFAOYSA-N 0 1 377.491 3.766 20 5 GHBDMN C[C@@H]1CN(c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CCN1CC(C)(C)O ZINC000302505522 861292684 /nfs/dbraw/zinc/29/26/84/861292684.db2.gz QFNULJUHOUDGEE-SNVBAGLBSA-N 0 1 395.809 3.548 20 5 GHBDMN Cc1ccc([C@H](C)NCC(=O)Nc2ccccc2Br)cc1[N+](=O)[O-] ZINC000178167892 842291841 /nfs/dbraw/zinc/29/18/41/842291841.db2.gz OZAVOGHPIUTBKX-LBPRGKRZSA-N 0 1 392.253 3.955 20 5 GHBDMN CO[C@@H](c1ccccc1Cl)[C@@H](C)NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000481411357 861308539 /nfs/dbraw/zinc/30/85/39/861308539.db2.gz RUJAICQUGSMVBD-BFUOFWGJSA-N 0 1 391.855 3.577 20 5 GHBDMN CC(=O)c1ccc(NC[C@H]2CN(Cc3ccccc3)CCCO2)c([N+](=O)[O-])c1 ZINC000302780521 861361294 /nfs/dbraw/zinc/36/12/94/861361294.db2.gz IOOWNLICFJXSJH-IBGZPJMESA-N 0 1 383.448 3.500 20 5 GHBDMN O=C(Nc1nnc([C@@H]2CCCc3ccccc32)s1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000432613968 843298904 /nfs/dbraw/zinc/29/89/04/843298904.db2.gz DDLQCKXQNKGXMM-MRXNPFEDSA-N 0 1 396.428 3.872 20 5 GHBDMN Cc1cc(F)cc(C(=O)Nc2nnc(Cc3ccc(F)cc3)s2)c1[N+](=O)[O-] ZINC000176228502 844703039 /nfs/dbraw/zinc/70/30/39/844703039.db2.gz QYSCDMYWSPSBQH-UHFFFAOYSA-N 0 1 390.371 3.876 20 5 GHBDMN CCO[C@@H]1C[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H]1n1cccn1 ZINC000555648654 861491284 /nfs/dbraw/zinc/49/12/84/861491284.db2.gz SIQVHAPMKFJSJN-DFQSSKMNSA-N 0 1 382.420 3.560 20 5 GHBDMN COc1ccc(CN(CCn2ccc([N+](=O)[O-])n2)Cc2ccc(OC)cc2)cc1 ZINC000176229532 844890902 /nfs/dbraw/zinc/89/09/02/844890902.db2.gz OKZUGPOGXLQXAM-UHFFFAOYSA-N 0 1 396.447 3.511 20 5 GHBDMN Cc1ccc(CN[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc1S(C)(=O)=O ZINC000433096121 845265984 /nfs/dbraw/zinc/26/59/84/845265984.db2.gz CMVPTZRCLGDRNC-GOSISDBHSA-N 0 1 388.489 3.819 20 5 GHBDMN Cn1ccnc1[C@H](NC[C@H]1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000611560647 845441644 /nfs/dbraw/zinc/44/16/44/845441644.db2.gz MOCAGHOFKUFHCM-HRAATJIYSA-N 0 1 376.460 3.812 20 5 GHBDMN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ncc(C)c(-c3ccccc3)n2)c1C ZINC000433164052 845549835 /nfs/dbraw/zinc/54/98/35/845549835.db2.gz PXUPJKVAZPBXHG-UHFFFAOYSA-N 0 1 398.444 3.778 20 5 GHBDMN CC1(C)C[C@@H](NCC(=O)Nc2ccc(F)c(F)c2F)c2cc([N+](=O)[O-])ccc21 ZINC000433168959 845561517 /nfs/dbraw/zinc/56/15/17/845561517.db2.gz OZWIYTNQZZJKET-OAHLLOKOSA-N 0 1 393.365 3.963 20 5 GHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)cc1 ZINC000518949603 846272250 /nfs/dbraw/zinc/27/22/50/846272250.db2.gz PIKKGOUVAWFIOW-UHFFFAOYSA-N 0 1 394.412 3.939 20 5 GHBDMN COc1ccc(CN2CCC(n3ccc(C(F)(F)F)n3)CC2)cc1[N+](=O)[O-] ZINC000183156082 846409360 /nfs/dbraw/zinc/40/93/60/846409360.db2.gz CYMZDHWZYVRKLM-UHFFFAOYSA-N 0 1 384.358 3.656 20 5 GHBDMN CC(C)(C)c1ccc(NC(=O)N[C@@H](c2nnc[nH]2)c2ccccc2)cc1[N+](=O)[O-] ZINC000501103612 846644691 /nfs/dbraw/zinc/64/46/91/846644691.db2.gz FIAJIUAGYUIJQV-QGZVFWFLSA-N 0 1 394.435 3.922 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C)c1ccccc1SC ZINC000501533161 846998311 /nfs/dbraw/zinc/99/83/11/846998311.db2.gz HOQXURKVTSBNJV-GFCCVEGCSA-N 0 1 375.450 3.615 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1CN1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000183310293 847133787 /nfs/dbraw/zinc/13/37/87/847133787.db2.gz YWGUNARZPVSFLL-UHFFFAOYSA-N 0 1 379.420 3.728 20 5 GHBDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)n[nH]1 ZINC000599834823 861766921 /nfs/dbraw/zinc/76/69/21/861766921.db2.gz ITENENPSQNAWAD-GHMZBOCLSA-N 0 1 383.412 3.657 20 5 GHBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1cccc([C@H]2CCCOC2)c1 ZINC000501842646 847238821 /nfs/dbraw/zinc/23/88/21/847238821.db2.gz PLJGRUOSKHVGTG-INIZCTEOSA-N 0 1 393.403 3.526 20 5 GHBDMN Cc1cccc2nc(CNC(=O)c3sc(Br)cc3[N+](=O)[O-])[nH]c21 ZINC000409515810 849558064 /nfs/dbraw/zinc/55/80/64/849558064.db2.gz FPHHDSXJCVROBM-UHFFFAOYSA-N 0 1 395.238 3.534 20 5 GHBDMN CN(C)[C@@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1cccc(F)c1 ZINC000027592345 850449877 /nfs/dbraw/zinc/44/98/77/850449877.db2.gz GWWZBVPTLXJHLZ-INIZCTEOSA-N 0 1 387.436 3.981 20 5 GHBDMN COc1cc(C)c(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)cc1C ZINC000435730677 850793743 /nfs/dbraw/zinc/79/37/43/850793743.db2.gz ZBAIEKNJIVNSHG-UHFFFAOYSA-N 0 1 387.417 3.569 20 5 GHBDMN Cc1[nH]nc(C(=O)N2CCc3ccccc3[C@H](c3ccccc3)[C@H]2C)c1[N+](=O)[O-] ZINC000435959090 851024846 /nfs/dbraw/zinc/02/48/46/851024846.db2.gz BRKWOECHQOQAEB-BEFAXECRSA-N 0 1 390.443 3.845 20 5 GHBDMN CN(C)C[C@H](Cc1ccccc1)NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000436079066 851193836 /nfs/dbraw/zinc/19/38/36/851193836.db2.gz JLBQOZHJPPVIBY-IBGZPJMESA-N 0 1 399.494 3.584 20 5 GHBDMN C[C@H](CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CCCC[C@H]1C ZINC000436095233 851213491 /nfs/dbraw/zinc/21/34/91/851213491.db2.gz AMKQLJWQPUWHJM-HUUCEWRRSA-N 0 1 395.478 3.813 20 5 GHBDMN CCN(CCc1cccs1)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000488365502 851433429 /nfs/dbraw/zinc/43/34/29/851433429.db2.gz YIZAKDTVORNQCW-ZDUSSCGKSA-N 0 1 377.466 3.557 20 5 GHBDMN CCCc1[nH]nc(C(=O)N2CC[C@@](F)(c3cccc(Cl)c3)C2)c1[N+](=O)[O-] ZINC000514241272 851461845 /nfs/dbraw/zinc/46/18/45/851461845.db2.gz JNLMJHGHJFYRCP-KRWDZBQOSA-N 0 1 380.807 3.635 20 5 GHBDMN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CC[C@@](CO)(c3ccccc3)C2)c1 ZINC000550105350 851585804 /nfs/dbraw/zinc/58/58/04/851585804.db2.gz AKSSURDXXOFLHF-GOSISDBHSA-N 0 1 380.366 3.750 20 5 GHBDMN O=[N+]([O-])c1cc2c(cc1CNCCOc1cccc(C(F)(F)F)c1)OCCO2 ZINC000604533034 862284889 /nfs/dbraw/zinc/28/48/89/862284889.db2.gz UFENEYJEANCWTP-UHFFFAOYSA-N 0 1 398.337 3.553 20 5 GHBDMN O=C(N[C@@H]1CCCc2cc(OC(F)F)ccc21)c1cc(O)cc([N+](=O)[O-])c1 ZINC000506189744 852138082 /nfs/dbraw/zinc/13/80/82/852138082.db2.gz MUOBUMWYSMGQEK-MRXNPFEDSA-N 0 1 378.331 3.709 20 5 GHBDMN COc1cc(-c2nc3ccccc3n2CCc2ccccn2)cc([N+](=O)[O-])c1O ZINC000436740332 852259646 /nfs/dbraw/zinc/25/96/46/852259646.db2.gz QKNPEEALQDZLDQ-UHFFFAOYSA-N 0 1 390.399 3.963 20 5 GHBDMN C[C@@H](NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1nc2ccc(Cl)cc2[nH]1 ZINC000732541708 862345932 /nfs/dbraw/zinc/34/59/32/862345932.db2.gz GIBQDJONTPPGKP-LLVKDONJSA-N 0 1 397.822 3.957 20 5 GHBDMN C[C@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])c1nc2ccc(Cl)cc2[nH]1 ZINC000732547554 862348697 /nfs/dbraw/zinc/34/86/97/862348697.db2.gz USLIQWXYKMWYGX-NSHDSACASA-N 0 1 387.827 3.804 20 5 GHBDMN CC1CCN([C@H](CNC(=O)c2csc([N+](=O)[O-])c2)c2cccs2)CC1 ZINC000044313983 852615885 /nfs/dbraw/zinc/61/58/85/852615885.db2.gz RXEZVUUSOLHBQK-CQSZACIVSA-N 0 1 379.507 3.921 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CC[C@H](c2ccccc2C)C1 ZINC000507202068 852651522 /nfs/dbraw/zinc/65/15/22/852651522.db2.gz GIODVJHETHUWRX-CVEARBPZSA-N 0 1 383.448 3.728 20 5 GHBDMN C[C@H](N[C@@H](C)c1ccc2n[nH]cc2c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000507245202 852713011 /nfs/dbraw/zinc/71/30/11/852713011.db2.gz WWDOXESYEBTKQH-QWRGUYRKSA-N 0 1 387.827 3.802 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(Oc2ccccn2)c1 ZINC000438720807 852776023 /nfs/dbraw/zinc/77/60/23/852776023.db2.gz YPRVQSCVEMSOTN-UHFFFAOYSA-N 0 1 385.401 3.891 20 5 GHBDMN CC(C)c1nn(-c2ccccc2)cc1CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000507300766 852777570 /nfs/dbraw/zinc/77/75/70/852777570.db2.gz JEVGRSHOSRSJME-UHFFFAOYSA-N 0 1 380.404 3.540 20 5 GHBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000490360524 852980455 /nfs/dbraw/zinc/98/04/55/852980455.db2.gz DFDYQQHSTDXXTD-WDEREUQCSA-N 0 1 383.330 3.687 20 5 GHBDMN C[C@H]1CCc2sc(C(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)n[nH]3)cc2C1 ZINC000490400356 853011408 /nfs/dbraw/zinc/01/14/08/853011408.db2.gz QGAQELRBRBWRKY-JTQLQIEISA-N 0 1 383.433 3.819 20 5 GHBDMN CN(C)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccc(F)cc1 ZINC000518404546 853306963 /nfs/dbraw/zinc/30/69/63/853306963.db2.gz YJPNWMRVTNGAEN-MRXNPFEDSA-N 0 1 399.344 3.785 20 5 GHBDMN CCCc1[nH]nc(C(=O)N2CCC(c3c[nH]c4cc(F)ccc43)CC2)c1[N+](=O)[O-] ZINC000518454878 853383594 /nfs/dbraw/zinc/38/35/94/853383594.db2.gz OSTGPKXJCMKCMQ-UHFFFAOYSA-N 0 1 399.426 3.911 20 5 GHBDMN COc1cccc(C2(CNC(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)CCCC2)c1 ZINC000518663522 853623615 /nfs/dbraw/zinc/62/36/15/853623615.db2.gz ABXFMGXKFDKFAQ-UHFFFAOYSA-N 0 1 394.431 3.722 20 5 GHBDMN C[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccc(F)c(Br)c1 ZINC000507736269 853925450 /nfs/dbraw/zinc/92/54/50/853925450.db2.gz WBLSAIRTHPCJBV-MRVPVSSYSA-N 0 1 383.173 3.693 20 5 GHBDMN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000122979761 855069459 /nfs/dbraw/zinc/06/94/59/855069459.db2.gz LWSGOLQHVAHMNP-IBGZPJMESA-N 0 1 396.447 3.555 20 5 GHBDMN CC[C@H](C)Oc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000057123722 855223846 /nfs/dbraw/zinc/22/38/46/855223846.db2.gz FBJKPWUXHFUIAR-LBPRGKRZSA-N 0 1 380.422 3.582 20 5 GHBDMN CC[C@@H](C)Oc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000057123721 855224068 /nfs/dbraw/zinc/22/40/68/855224068.db2.gz FBJKPWUXHFUIAR-GFCCVEGCSA-N 0 1 380.422 3.582 20 5 GHBDMN CCN(C)C(=O)[C@H](C)NCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000473988887 855327312 /nfs/dbraw/zinc/32/73/12/855327312.db2.gz WYQBMNWXAXSYDC-ZDUSSCGKSA-N 0 1 391.855 3.997 20 5 GHBDMN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000184658609 855470408 /nfs/dbraw/zinc/47/04/08/855470408.db2.gz LZUFUPMZKMBGIB-OAQYLSRUSA-N 0 1 395.503 3.898 20 5 GHBDMN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1[nH]nc2c1CCCCC2 ZINC000427598243 855695183 /nfs/dbraw/zinc/69/51/83/855695183.db2.gz CCQLIKNAWHSTED-UHFFFAOYSA-N 0 1 382.342 3.536 20 5 GHBDMN CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000164263969 862743619 /nfs/dbraw/zinc/74/36/19/862743619.db2.gz JMEITGZUFKBOGE-UHFFFAOYSA-N 0 1 380.404 3.921 20 5 GHBDMN Cc1c(CC(=O)Nc2nc(-c3cc4ccccc4o3)n[nH]2)cccc1[N+](=O)[O-] ZINC000485112533 856110715 /nfs/dbraw/zinc/11/07/15/856110715.db2.gz GFIBLISEURZCMX-UHFFFAOYSA-N 0 1 377.360 3.616 20 5 GHBDMN O=C(c1ccccc1)c1ccc(N2CC[C@@H](N3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000520757145 856362114 /nfs/dbraw/zinc/36/21/14/856362114.db2.gz CLPFCNXPIAGTDS-LJQANCHMSA-N 0 1 379.460 3.890 20 5 GHBDMN CN(C)[C@H](CNC(=O)c1ccccc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000184835501 856453663 /nfs/dbraw/zinc/45/36/63/856453663.db2.gz QLRGUTGTHLMARJ-MRXNPFEDSA-N 0 1 381.354 3.646 20 5 GHBDMN COc1cc(CNc2cccc(-c3ccc4c(c3)CCO4)n2)cc([N+](=O)[O-])c1O ZINC000466615740 862811847 /nfs/dbraw/zinc/81/18/47/862811847.db2.gz JMLJVDXXBCMUOX-UHFFFAOYSA-N 0 1 393.399 3.918 20 5 GHBDMN Cc1ccc(C)c([C@H]2CN(C(=O)c3[nH]nc4ccc([N+](=O)[O-])cc43)[C@@H](C)CO2)c1 ZINC000172729544 856578717 /nfs/dbraw/zinc/57/87/17/856578717.db2.gz WCBAAFHHVVISRX-IFXJQAMLSA-N 0 1 394.431 3.690 20 5 GHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000282510608 862816998 /nfs/dbraw/zinc/81/69/98/862816998.db2.gz OJTIWFFBTQEYDQ-ZDUSSCGKSA-N 0 1 382.342 3.666 20 5 GHBDMN O=[N+]([O-])c1cc(CN(Cc2ccccc2)[C@@H](CO)C2CCC2)c2c(c1)COCO2 ZINC000592139296 856686917 /nfs/dbraw/zinc/68/69/17/856686917.db2.gz UFMHIHDIDFNLDK-NRFANRHFSA-N 0 1 398.459 3.625 20 5 GHBDMN Cc1ccc([N+](=O)[O-])c(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)c1 ZINC000172976980 856686818 /nfs/dbraw/zinc/68/68/18/856686818.db2.gz JNMGCBXZYPSASE-UHFFFAOYSA-N 0 1 387.867 3.951 20 5 GHBDMN C[C@@H](NCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)C(=O)NC(C)(C)C ZINC000507940239 856692485 /nfs/dbraw/zinc/69/24/85/856692485.db2.gz JUCGVCVRQWMBIA-OAHLLOKOSA-N 0 1 384.480 3.756 20 5 GHBDMN O=C(CNC1(c2cccc(F)c2)CCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000592145612 856693715 /nfs/dbraw/zinc/69/37/15/856693715.db2.gz UFRFOGQJTKCIJG-UHFFFAOYSA-N 0 1 377.803 3.995 20 5 GHBDMN C[C@]1(c2ccccc2)CCCN(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000733300633 862845870 /nfs/dbraw/zinc/84/58/70/862845870.db2.gz UULBQULAOXMTAO-NRFANRHFSA-N 0 1 377.448 3.865 20 5 GHBDMN COc1cccc(N2C[C@H](NCc3ccc(C(C)C)c([N+](=O)[O-])c3)CC2=O)c1 ZINC000508076772 856896256 /nfs/dbraw/zinc/89/62/56/856896256.db2.gz FCXIYTDDHHTMQI-MRXNPFEDSA-N 0 1 383.448 3.622 20 5 GHBDMN CCCCN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@@H]1CCc2ncsc2C1 ZINC000592731588 857046490 /nfs/dbraw/zinc/04/64/90/857046490.db2.gz XWFZLKLQPDMTCG-GFCCVEGCSA-N 0 1 399.476 3.727 20 5 GHBDMN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](c1cccs1)N(C)C ZINC000027676690 857107645 /nfs/dbraw/zinc/10/76/45/857107645.db2.gz XUDPDJLACNDFAK-SWLSCSKDSA-N 0 1 379.507 3.556 20 5 GHBDMN Cc1cc(N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000592978133 857145781 /nfs/dbraw/zinc/14/57/81/857145781.db2.gz KYHKKUIYQVJJFD-NVXWUHKLSA-N 0 1 383.448 3.924 20 5 GHBDMN COc1ccc(NC(=O)NC[C@@H](c2ccc(Cl)cc2)N(C)C)cc1[N+](=O)[O-] ZINC000542957676 857154516 /nfs/dbraw/zinc/15/45/16/857154516.db2.gz RHZTWDPXLDJWMS-INIZCTEOSA-N 0 1 392.843 3.681 20 5 GHBDMN O=[N+]([O-])c1ccc(OCCCN2CCN(C/C=C\c3ccccc3)CC2)cc1 ZINC000255033619 857387842 /nfs/dbraw/zinc/38/78/42/857387842.db2.gz CSMMMIJZRNIHTQ-YWEYNIOJSA-N 0 1 381.476 3.695 20 5 GHBDMN CCS[C@@H]1CCCCN([C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000246543208 857405119 /nfs/dbraw/zinc/40/51/19/857405119.db2.gz BYPSENXMLLZXIT-UKRRQHHQSA-N 0 1 381.498 3.538 20 5 GHBDMN COc1ccc(OCc2nc(CNCCc3ccc([N+](=O)[O-])cc3)cs2)cc1 ZINC000113335985 857433805 /nfs/dbraw/zinc/43/38/05/857433805.db2.gz YLHHZKAEVZYIDO-UHFFFAOYSA-N 0 1 399.472 3.971 20 5 GHBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000574400464 857783930 /nfs/dbraw/zinc/78/39/30/857783930.db2.gz PMDGYNUCOAUXSE-MOPGFXCFSA-N 0 1 384.432 3.682 20 5 GHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000027382626 857944328 /nfs/dbraw/zinc/94/43/28/857944328.db2.gz KMXMUBCMBMIFSA-LBPRGKRZSA-N 0 1 391.387 3.632 20 5 GHBDMN Cc1ccccc1CNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000521519306 858070426 /nfs/dbraw/zinc/07/04/26/858070426.db2.gz PLCITHXPOXKWCW-UHFFFAOYSA-N 0 1 382.201 3.798 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCc1cccc(CN2CCO[C@H](C)C2)c1 ZINC000595018571 858352224 /nfs/dbraw/zinc/35/22/24/858352224.db2.gz RYRGYEURHFFJPL-SJORKVTESA-N 0 1 399.491 3.675 20 5 GHBDMN COc1ccc(CNCc2cccc(COC[C@@H]3CCCO3)c2)cc1[N+](=O)[O-] ZINC000594998059 858361686 /nfs/dbraw/zinc/36/16/86/858361686.db2.gz GANSWPNLXOHIRG-IBGZPJMESA-N 0 1 386.448 3.589 20 5 GHBDMN Cc1cc(NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000592969849 858455038 /nfs/dbraw/zinc/45/50/38/858455038.db2.gz ZXYMGKPNNQTJQJ-KRWDZBQOSA-N 0 1 383.448 3.926 20 5 GHBDMN COc1ccc(CC[C@@H]2CCCCN2Cc2onc(C)c2[N+](=O)[O-])cc1OC ZINC000595309568 858468365 /nfs/dbraw/zinc/46/83/65/858468365.db2.gz WVRCFWMTYMYUND-INIZCTEOSA-N 0 1 389.452 3.896 20 5 GHBDMN Cc1noc(CNC2(Cc3ccc(F)cc3Cl)CCOCC2)c1[N+](=O)[O-] ZINC000595505545 858547569 /nfs/dbraw/zinc/54/75/69/858547569.db2.gz SRYIGIXGVQTWSP-UHFFFAOYSA-N 0 1 383.807 3.565 20 5 GHBDMN CCN(CC)[C@H](CN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000575189683 858597497 /nfs/dbraw/zinc/59/74/97/858597497.db2.gz QIMIRTIFDNRBTD-UYAOXDASSA-N 0 1 397.479 3.683 20 5 GHBDMN COc1cccc([C@@]2(C)CCN(Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C2)c1 ZINC000595770471 858665909 /nfs/dbraw/zinc/66/59/09/858665909.db2.gz WAUNVGDYDBWZFG-NRFANRHFSA-N 0 1 394.431 3.817 20 5 GHBDMN COc1cccc([C@H]2C[C@H](C)CN2CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)c1 ZINC000543181937 858756896 /nfs/dbraw/zinc/75/68/96/858756896.db2.gz RCUJGYXQKOSVDG-YCRPNKLZSA-N 0 1 395.459 3.576 20 5 GHBDMN COc1cccc([C@H]2C[C@@H](C)CN2CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)c1 ZINC000543181935 858757292 /nfs/dbraw/zinc/75/72/92/858757292.db2.gz RCUJGYXQKOSVDG-QVKFZJNVSA-N 0 1 395.459 3.576 20 5 GHBDMN COc1cc(NC2CCN(Cc3ccncc3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596081783 858776943 /nfs/dbraw/zinc/77/69/43/858776943.db2.gz KZKXBZRJXVSPRC-UHFFFAOYSA-N 0 1 376.844 3.728 20 5 GHBDMN CC[C@H](C)c1nc([C@@H](C)Nc2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)n[nH]1 ZINC000596204268 858830498 /nfs/dbraw/zinc/83/04/98/858830498.db2.gz BPBLZDCHOLZUMN-DTWKUNHWSA-N 0 1 381.820 3.840 20 5 GHBDMN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC(=Cc2ccccc2F)CC1 ZINC000543207404 858889018 /nfs/dbraw/zinc/88/90/18/858889018.db2.gz FLZSFKHWVNOOGP-GOSISDBHSA-N 0 1 386.423 3.653 20 5 GHBDMN C[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cc2c(s1)CCCC2 ZINC000543596072 858907735 /nfs/dbraw/zinc/90/77/35/858907735.db2.gz SAJSNODFJXUZKL-ZDUSSCGKSA-N 0 1 394.518 3.660 20 5 GHBDMN Cc1ccc([C@@H]2CSCCN2C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)cc1 ZINC000116233319 858907660 /nfs/dbraw/zinc/90/76/60/858907660.db2.gz HLFGAPUZVVQQEM-KRWDZBQOSA-N 0 1 382.445 3.710 20 5 GHBDMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1cc([N+](=O)[O-])ccc1Br ZINC000923230828 859146956 /nfs/dbraw/zinc/14/69/56/859146956.db2.gz KXXOMQSUYHVFOV-LKTVYLICSA-N 0 1 383.242 3.575 20 5 GHBDMN COc1ccc(CN(C)Cc2cnc[nH]2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000597171512 859315540 /nfs/dbraw/zinc/31/55/40/859315540.db2.gz SZPNTHMKBMXSBZ-UHFFFAOYSA-N 0 1 382.420 3.538 20 5 GHBDMN O=C1C[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)[C@H]2CCCCN12 ZINC000509404746 859337733 /nfs/dbraw/zinc/33/77/33/859337733.db2.gz RBLXBIRUWKCSBD-DLBZAZTESA-N 0 1 389.839 3.751 20 5 GHBDMN C[C@H](NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)C(=O)N1CCCC1 ZINC000466400213 859352210 /nfs/dbraw/zinc/35/22/10/859352210.db2.gz UGHHHUBHJKUZAA-AWEZNQCLSA-N 0 1 387.411 3.627 20 5 GHBDMN COc1ccc(C[C@@H]2CCCCN2C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)cc1 ZINC000593307457 859369651 /nfs/dbraw/zinc/36/96/51/859369651.db2.gz NDEVTWFZQDJFKM-HNNXBMFYSA-N 0 1 394.431 3.717 20 5 GHBDMN O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1NCc1n[nH]cc1Br ZINC000611081087 859602589 /nfs/dbraw/zinc/60/25/89/859602589.db2.gz LTOOUNLTIXVUDV-FZMZJTMJSA-N 0 1 379.258 3.581 20 5 GHBDMN O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1NCc1n[nH]cc1Br ZINC000611081086 859602710 /nfs/dbraw/zinc/60/27/10/859602710.db2.gz LTOOUNLTIXVUDV-BXUZGUMPSA-N 0 1 379.258 3.581 20 5 GHBDMN CN1CC2(C1)CCN(C(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1)C2 ZINC000597572972 859645884 /nfs/dbraw/zinc/64/58/84/859645884.db2.gz VFEYNXGHZPPLRU-UHFFFAOYSA-N 0 1 389.521 3.655 20 5 GHBDMN C[C@@H]1CN(Cc2ccccc2)[C@H](C)CN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000611236041 859657959 /nfs/dbraw/zinc/65/79/59/859657959.db2.gz NNRUAXMGLRUZIS-HZPDHXFCSA-N 0 1 380.448 3.831 20 5 GHBDMN O=[N+]([O-])c1cc2c(cc1CN1CCC[C@H](c3nc4ccccc4o3)C1)OCCO2 ZINC000611253901 859664796 /nfs/dbraw/zinc/66/47/96/859664796.db2.gz MSJQSGUBOTVNRZ-AWEZNQCLSA-N 0 1 395.415 3.887 20 5 GHBDMN Cc1nc2sccn2c1CN(C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000474275110 859747396 /nfs/dbraw/zinc/74/73/96/859747396.db2.gz HDSPXQPYSBKNGW-UHFFFAOYSA-N 0 1 397.460 3.942 20 5 GHBDMN Cc1ccc(Sc2ccc(C(=O)N3CC[N@H+]4CC[C@H]3C4)cc2[N+](=O)[O-])cc1 ZINC000597710262 859756187 /nfs/dbraw/zinc/75/61/87/859756187.db2.gz RVQDBKTVZLVQRQ-INIZCTEOSA-N 0 1 383.473 3.585 20 5 GHBDMN O=C([C@@H]1CC1[N+](=O)[O-])N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1 ZINC000840289917 859979450 /nfs/dbraw/zinc/97/94/50/859979450.db2.gz POHKMCRXBVEFHF-CZUORRHYSA-N 0 1 380.231 3.582 20 5 GHBDMN COc1ccc([C@H]2CCCN2C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)cc1F ZINC000598197083 860142502 /nfs/dbraw/zinc/14/25/02/860142502.db2.gz NOOJKFYRRNFYAN-MRXNPFEDSA-N 0 1 384.367 3.596 20 5 GHBDMN C[S@](=O)Cc1ccc(CNCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000602651992 860182606 /nfs/dbraw/zinc/18/26/06/860182606.db2.gz BWOHJQHVRBZYDJ-SANMLTNESA-N 0 1 386.395 3.782 20 5 GHBDMN O=C(N[C@H]1CCCc2cn[nH]c21)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000484728610 860307263 /nfs/dbraw/zinc/30/72/63/860307263.db2.gz OKWPUBPXTNGTEX-KRWDZBQOSA-N 0 1 378.388 3.918 20 5 GHBDMN Cc1[nH]nc(C(=O)N2CCC[C@@]2(C)Cc2ccccc2C(F)(F)F)c1[N+](=O)[O-] ZINC000598452114 860318395 /nfs/dbraw/zinc/31/83/95/860318395.db2.gz HIZPAFMLRYAJQQ-KRWDZBQOSA-N 0 1 396.369 3.883 20 5 GHBDMN COc1cc(CN2CC[C@]3(CCOC3)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000093820765 860357822 /nfs/dbraw/zinc/35/78/22/860357822.db2.gz WILOMRJJDJEFQS-QFIPXVFZSA-N 0 1 398.459 3.795 20 5 GHBDMN CN(Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000555315581 860446465 /nfs/dbraw/zinc/44/64/65/860446465.db2.gz LHEJVUFZZZBSJB-IAGOWNOFSA-N 0 1 383.231 3.697 20 5 GHBDMN CN(CCCN(C)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)Cc1ccco1 ZINC000552391300 860520640 /nfs/dbraw/zinc/52/06/40/860520640.db2.gz ASNGRMAIRDDBDH-UHFFFAOYSA-N 0 1 399.369 3.801 20 5 GHBDMN COc1cc(Br)ccc1[C@H](C)NCc1cc(O)ccc1[N+](=O)[O-] ZINC000555460648 860952609 /nfs/dbraw/zinc/95/26/09/860952609.db2.gz AGJOMGLLYBWGOK-JTQLQIEISA-N 0 1 381.226 3.922 20 5 GHBDMN O=[N+]([O-])c1ccc(O)cc1CN[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000555462601 860958962 /nfs/dbraw/zinc/95/89/62/860958962.db2.gz SHRXIFQCUZCJTD-AWEZNQCLSA-N 0 1 390.745 3.796 20 5 GHBDMN Cc1ccccc1C1CCN(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000730254136 860975064 /nfs/dbraw/zinc/97/50/64/860975064.db2.gz LTGIHOXZTGLUIR-UHFFFAOYSA-N 0 1 377.448 3.999 20 5 GHBDMN CC(C)(CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)N1CCc2ccccc2C1 ZINC000603737986 861133278 /nfs/dbraw/zinc/13/32/78/861133278.db2.gz ZPQUHCLAGCOBOV-UHFFFAOYSA-N 0 1 393.443 3.908 20 5 GHBDMN CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792874747 881764019 /nfs/dbraw/zinc/76/40/19/881764019.db2.gz XZXVKDSITDZTFX-GOSISDBHSA-N 0 1 396.444 3.532 20 5 GHBDMN CN(C(=O)c1cc(F)c(F)cc1[N+](=O)[O-])[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000174051521 865370119 /nfs/dbraw/zinc/37/01/19/865370119.db2.gz ONTSSAOOIZHYHJ-OAHLLOKOSA-N 0 1 389.402 3.610 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2nnc(CN3CC[C@@H](Cc4ccc(F)cc4)C3)o2)cc1 ZINC000121314863 865529711 /nfs/dbraw/zinc/52/97/11/865529711.db2.gz KPDOTUOBDHMUFQ-HNNXBMFYSA-N 0 1 382.395 3.849 20 5 GHBDMN COc1ccc(CC(=O)Nc2ccc3nc(C(C)(C)C)[nH]c3c2)cc1[N+](=O)[O-] ZINC000609016910 865892101 /nfs/dbraw/zinc/89/21/01/865892101.db2.gz KUVXPLJORHCALB-UHFFFAOYSA-N 0 1 382.420 3.958 20 5 GHBDMN Cc1nn(-c2ccccc2C)c(C)c1CN(C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000475612032 867044021 /nfs/dbraw/zinc/04/40/21/867044021.db2.gz KIPALGZASXRGLJ-UHFFFAOYSA-N 0 1 394.431 3.684 20 5 GHBDMN O=[N+]([O-])c1cn(CN2CCC[C@@H](Cc3ccccc3)C2)nc1-c1ccncc1 ZINC000742147068 867080441 /nfs/dbraw/zinc/08/04/41/867080441.db2.gz AUOVUCCKHZXKKC-SFHVURJKSA-N 0 1 377.448 3.766 20 5 GHBDMN CN(C)[C@H](CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)c1ccccc1 ZINC000444823826 867269084 /nfs/dbraw/zinc/26/90/84/867269084.db2.gz GNEKUKKPIQIEIS-OAQYLSRUSA-N 0 1 385.467 3.714 20 5 GHBDMN CCO[C@@H]1C[C@H](NCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C12CCCCC2 ZINC000429790041 867335767 /nfs/dbraw/zinc/33/57/67/867335767.db2.gz SREHNYCHINCDJI-DLBZAZTESA-N 0 1 386.452 3.862 20 5 GHBDMN O=C(C=Cc1ccc([N+](=O)[O-])cc1)Nc1nc2ccc(Br)cc2[nH]1 ZINC000742891070 867655001 /nfs/dbraw/zinc/65/50/01/867655001.db2.gz HTDGUQBHRSYGFY-BAQGIRSFSA-N 0 1 387.193 3.886 20 5 GHBDMN O=C(c1cccc(Br)c1O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000535025497 867985313 /nfs/dbraw/zinc/98/53/13/867985313.db2.gz KIPZVMHNAKSXJV-UHFFFAOYSA-N 0 1 391.221 3.868 20 5 GHBDMN Cc1ccc(CCN(C[C@H]2CCCO2)Cn2ncc3ccc([N+](=O)[O-])cc32)cc1 ZINC000743388446 868145744 /nfs/dbraw/zinc/14/57/44/868145744.db2.gz OQVISQHJDOTDBE-OAQYLSRUSA-N 0 1 394.475 3.934 20 5 GHBDMN COc1ccccc1OCCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000524307231 868878405 /nfs/dbraw/zinc/87/84/05/868878405.db2.gz CYTQUUNGDJCQMY-UHFFFAOYSA-N 0 1 385.445 3.896 20 5 GHBDMN Cc1[nH]ncc1CCCNC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000609077613 868881281 /nfs/dbraw/zinc/88/12/81/868881281.db2.gz ZGIBGBXZSLUXJU-UHFFFAOYSA-N 0 1 393.447 3.601 20 5 GHBDMN Cc1cc(Br)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000524549689 869241552 /nfs/dbraw/zinc/24/15/52/869241552.db2.gz LSXCRQBXBVKPFV-UHFFFAOYSA-N 0 1 385.239 3.775 20 5 GHBDMN COc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c3ncccc23)cc1Cl ZINC000462369323 869301793 /nfs/dbraw/zinc/30/17/93/869301793.db2.gz PFNYVYRWWJMURB-UHFFFAOYSA-N 0 1 393.808 3.606 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000595038608 869772850 /nfs/dbraw/zinc/77/28/50/869772850.db2.gz LVXATTJNIMIHKM-GOEBONIOSA-N 0 1 384.436 3.560 20 5 GHBDMN C[C@@H](CC(=O)Nc1cccc(Cl)c1)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446835323 870517732 /nfs/dbraw/zinc/51/77/32/870517732.db2.gz NOWAZCVMCOGDKA-NSHDSACASA-N 0 1 387.827 3.631 20 5 GHBDMN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CCOc2c(F)ccc(F)c21 ZINC000462953577 870525331 /nfs/dbraw/zinc/52/53/31/870525331.db2.gz NHJDWQOYZAOEIX-MEDUHNTESA-N 0 1 391.374 3.704 20 5 GHBDMN COC(=O)[C@](C)(CNCc1ccc([N+](=O)[O-])cc1Cl)c1ccc(F)cc1 ZINC000447056310 870928340 /nfs/dbraw/zinc/92/83/40/870928340.db2.gz AEUPGTKAFONABB-GOSISDBHSA-N 0 1 380.803 3.608 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2cnc(CCN3CCO[C@@H](Cc4ccccc4)C3)o2)c1 ZINC000181539434 871140983 /nfs/dbraw/zinc/14/09/83/871140983.db2.gz SKPIUPZOCQZLCC-FQEVSTJZSA-N 0 1 393.443 3.736 20 5 GHBDMN CC(C)[C@@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccc(F)cc1F ZINC000540427709 871261186 /nfs/dbraw/zinc/26/11/86/871261186.db2.gz ZBKUADBVHXDZFD-HXUWFJFHSA-N 0 1 389.402 3.749 20 5 GHBDMN COc1ccc2c(c1)C[C@@H](C)N(CCOc1ccc(OC)cc1[N+](=O)[O-])[C@@H]2C ZINC001169152527 871266140 /nfs/dbraw/zinc/26/61/40/871266140.db2.gz LRKNMUIPBOAEDB-HUUCEWRRSA-N 0 1 386.448 3.999 20 5 GHBDMN C[C@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1Cl ZINC000447317831 871371093 /nfs/dbraw/zinc/37/10/93/871371093.db2.gz HAPUKVCMQFCQTJ-WCQYABFASA-N 0 1 385.247 3.992 20 5 GHBDMN CCN(CC)[C@@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1Cl ZINC000069692475 871401034 /nfs/dbraw/zinc/40/10/34/871401034.db2.gz AGDRCBJQDKEGPW-IBGZPJMESA-N 0 1 389.883 3.990 20 5 GHBDMN Cc1cccc(NC(=O)NC(=O)CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1C ZINC000181825046 871526226 /nfs/dbraw/zinc/52/62/26/871526226.db2.gz BIZULGMNLSLJIS-OAHLLOKOSA-N 0 1 384.436 3.519 20 5 GHBDMN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000539318434 871681650 /nfs/dbraw/zinc/68/16/50/871681650.db2.gz BPTVNBYOBGWULR-LLVKDONJSA-N 0 1 377.470 3.828 20 5 GHBDMN Cc1cccc(CCNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])c1 ZINC000462156077 871705873 /nfs/dbraw/zinc/70/58/73/871705873.db2.gz HDXVDIASMSVZFV-UHFFFAOYSA-N 0 1 389.260 3.731 20 5 GHBDMN CCOc1ccc([C@H]2CCC[N@H+]2C[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000182199176 872019204 /nfs/dbraw/zinc/01/92/04/872019204.db2.gz WQBVLAZMSAUXDH-PKOBYXMFSA-N 0 1 386.448 3.570 20 5 GHBDMN CN(Cc1ccco1)Cc1ccccc1CNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000447685117 872097644 /nfs/dbraw/zinc/09/76/44/872097644.db2.gz HZNRGSFFXAIIDD-UHFFFAOYSA-N 0 1 391.431 3.730 20 5 GHBDMN CCOC(=O)C(=C(O)CSc1ccc([N+](=O)[O-])cc1F)c1nc(C)cs1 ZINC000618964418 872189217 /nfs/dbraw/zinc/18/92/17/872189217.db2.gz DATHHKITJBHWBX-AWEZNQCLSA-N 0 1 398.437 3.507 20 5 GHBDMN CCOC(=O)C(C(=O)CSc1ccc([N+](=O)[O-])cc1F)c1nc(C)cs1 ZINC000618964418 872189221 /nfs/dbraw/zinc/18/92/21/872189221.db2.gz DATHHKITJBHWBX-AWEZNQCLSA-N 0 1 398.437 3.507 20 5 GHBDMN CCOC(=O)[C@@H](C(=O)CSc1ccc([N+](=O)[O-])cc1F)c1nc(C)cs1 ZINC000618964418 872189228 /nfs/dbraw/zinc/18/92/28/872189228.db2.gz DATHHKITJBHWBX-AWEZNQCLSA-N 0 1 398.437 3.507 20 5 GHBDMN CC(C)(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC000182427768 872322647 /nfs/dbraw/zinc/32/26/47/872322647.db2.gz WSGWQVVXASFWOB-UHFFFAOYSA-N 0 1 382.869 3.547 20 5 GHBDMN O=[N+]([O-])c1ccccc1CCS(=O)(=O)Nc1scnc1-c1ccccc1 ZINC000182741924 872735111 /nfs/dbraw/zinc/73/51/11/872735111.db2.gz SLHRSHWMMCEIEE-UHFFFAOYSA-N 0 1 389.458 3.703 20 5 GHBDMN C[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001127247391 872788838 /nfs/dbraw/zinc/78/88/38/872788838.db2.gz WXAAHEBOJYYDNG-DEVSCXNHSA-N 0 1 393.487 3.820 20 5 GHBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCC[C@H]2C(C)(C)O)cc1OC ZINC000541059230 872818764 /nfs/dbraw/zinc/81/87/64/872818764.db2.gz IBOKXXIHHNOPJM-LIRRHRJNSA-N 0 1 380.485 3.764 20 5 GHBDMN O=[N+]([O-])c1ccc([C@H](O)CNCc2cc(Br)ccc2Cl)cc1 ZINC000767915465 872933490 /nfs/dbraw/zinc/93/34/90/872933490.db2.gz CSOLBBFIKTYPLA-OAHLLOKOSA-N 0 1 385.645 3.834 20 5 GHBDMN Cc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)ccc1F ZINC000768500670 873339740 /nfs/dbraw/zinc/33/97/40/873339740.db2.gz VGISADUWZWEMFG-UHFFFAOYSA-N 0 1 389.202 3.606 20 5 GHBDMN CCCc1[nH]nc(C(=O)N2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)c1[N+](=O)[O-] ZINC000768624435 873417379 /nfs/dbraw/zinc/41/73/79/873417379.db2.gz PGFAZWPSOHWGHQ-GFCCVEGCSA-N 0 1 396.369 3.919 20 5 GHBDMN CCNc1ccc(C(=O)Nc2cccc3c2OCC[C@H]3N(C)C)cc1[N+](=O)[O-] ZINC000448487580 873466459 /nfs/dbraw/zinc/46/64/59/873466459.db2.gz JJBWTMYEYPXSHK-QGZVFWFLSA-N 0 1 384.436 3.664 20 5 GHBDMN Cc1ccccc1CN1CCCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000768711292 873512811 /nfs/dbraw/zinc/51/28/11/873512811.db2.gz MVXOHNNZJAQFPI-UHFFFAOYSA-N 0 1 387.867 3.905 20 5 GHBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000768881823 873644804 /nfs/dbraw/zinc/64/48/04/873644804.db2.gz KBBYMRYSVZLJBZ-UHFFFAOYSA-N 0 1 385.785 3.520 20 5 GHBDMN CCCOc1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1Cl ZINC000768882534 873644844 /nfs/dbraw/zinc/64/48/44/873644844.db2.gz OYLCUSUFVKGHFR-UHFFFAOYSA-N 0 1 376.843 3.899 20 5 GHBDMN CC(C)(NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000475717382 882748902 /nfs/dbraw/zinc/74/89/02/882748902.db2.gz WFGSNKJSRODDOR-UHFFFAOYSA-N 0 1 379.210 3.728 20 5 GHBDMN CCc1ccc([C@H](NC[C@@H](CO)Cc2ccco2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541544943 873806278 /nfs/dbraw/zinc/80/62/78/873806278.db2.gz ATIZYSFZXKTKSY-YCRPNKLZSA-N 0 1 384.432 3.873 20 5 GHBDMN CCOc1cc(CN(CC)[C@H]2CCN(C(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC001197672600 873960361 /nfs/dbraw/zinc/96/03/61/873960361.db2.gz RTLHJKQSJZFOER-INIZCTEOSA-N 0 1 393.484 3.825 20 5 GHBDMN O=C1CCCCN1[C@@H]1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000769343909 873985485 /nfs/dbraw/zinc/98/54/85/873985485.db2.gz VNJLHHBDMAYTKW-GOSISDBHSA-N 0 1 383.448 3.832 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(C(=O)C(C)(C)C)cc1 ZINC000769671439 874223400 /nfs/dbraw/zinc/22/34/00/874223400.db2.gz LBDXHPHGWYGTFS-UHFFFAOYSA-N 0 1 376.434 3.933 20 5 GHBDMN Cc1ccc([N+](=O)[O-])c(C)c1NS(=O)(=O)c1cccc2c1OC(C)(C)C2 ZINC000192621777 882823693 /nfs/dbraw/zinc/82/36/93/882823693.db2.gz FWECNSPVVCNGNN-UHFFFAOYSA-N 0 1 376.434 3.726 20 5 GHBDMN O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000770012637 874380794 /nfs/dbraw/zinc/38/07/94/874380794.db2.gz DZPAQYVFKFBUFN-LLVKDONJSA-N 0 1 390.831 3.655 20 5 GHBDMN CC(C)N(Cc1cc(Cl)ccc1[N+](=O)[O-])C[C@H](O)COc1ccccc1 ZINC000770047646 874425151 /nfs/dbraw/zinc/42/51/51/874425151.db2.gz ZDTXXWFAULKSBN-KRWDZBQOSA-N 0 1 378.856 3.899 20 5 GHBDMN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC(=Cc3ccccc3F)CC2)c1 ZINC000464794258 874524243 /nfs/dbraw/zinc/52/42/43/874524243.db2.gz QYCZZNGSUZKDMR-IBGZPJMESA-N 0 1 386.423 3.653 20 5 GHBDMN COc1ccccc1-c1noc([C@@H](C)N[C@@H](C)Cc2ccccc2[N+](=O)[O-])n1 ZINC000449278847 874664152 /nfs/dbraw/zinc/66/41/52/874664152.db2.gz MJGHNCXOEUKHFW-UONOGXRCSA-N 0 1 382.420 3.935 20 5 GHBDMN CN(c1ccccc1)c1ccc(CNCc2n[nH]c(C3CC3)n2)cc1[N+](=O)[O-] ZINC000449406691 874823307 /nfs/dbraw/zinc/82/33/07/874823307.db2.gz ZKVOHEIJYDBCNV-UHFFFAOYSA-N 0 1 378.436 3.648 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N2CCC(c3ccc(N(C)C)cc3)CC2)c1[N+](=O)[O-] ZINC000775972638 875021189 /nfs/dbraw/zinc/02/11/89/875021189.db2.gz VLAFMBKKRHCREJ-UHFFFAOYSA-N 0 1 385.468 3.527 20 5 GHBDMN O=[N+]([O-])c1cc(CN[C@H]2CCc3nc(-c4ccc(F)cc4F)cn3C2)cs1 ZINC000449547498 875028063 /nfs/dbraw/zinc/02/80/63/875028063.db2.gz IIOOJDSLZIXPTL-ZDUSSCGKSA-N 0 1 390.415 3.903 20 5 GHBDMN CN(C)Cc1cc(CNC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])ccc1F ZINC000449868784 875545895 /nfs/dbraw/zinc/54/58/95/875545895.db2.gz LOGOYSBRNUDZCB-UHFFFAOYSA-N 0 1 399.344 3.744 20 5 GHBDMN Cn1c(=O)c(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc2ccccc21 ZINC000491426930 875684455 /nfs/dbraw/zinc/68/44/55/875684455.db2.gz CFIBGPJTVJCVRX-UHFFFAOYSA-N 0 1 389.411 3.997 20 5 GHBDMN Cc1ccc(NC(=O)[C@@H](c2ccccc2)N(C)CC2(O)CCCC2)c([N+](=O)[O-])c1 ZINC000443869013 876110742 /nfs/dbraw/zinc/11/07/42/876110742.db2.gz OEUQARBRMFLRIX-HXUWFJFHSA-N 0 1 397.475 3.820 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)CC1(N2CCOCC2)CCCC1 ZINC000786102280 876446337 /nfs/dbraw/zinc/44/63/37/876446337.db2.gz XDGPRAJRNKIRKO-MRXNPFEDSA-N 0 1 376.453 3.543 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@@H](NC(=O)OC(C)(C)C)C1CC1 ZINC000850449888 876933939 /nfs/dbraw/zinc/93/39/39/876933939.db2.gz WRTBHXZUKZAYHG-MLGOLLRUSA-N 0 1 379.457 3.557 20 5 GHBDMN CCCc1[nH]nc(C(=O)N2CCC[C@@H](c3cc4ccccc4[nH]3)C2)c1[N+](=O)[O-] ZINC000609991623 877286002 /nfs/dbraw/zinc/28/60/02/877286002.db2.gz WFCLSCYCXZXFET-CQSZACIVSA-N 0 1 381.436 3.772 20 5 GHBDMN CCc1nc([C@@H](C)NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)n[nH]1 ZINC000477267755 877340817 /nfs/dbraw/zinc/34/08/17/877340817.db2.gz IOKUEGHDBFLGBW-GFCCVEGCSA-N 0 1 380.408 3.510 20 5 GHBDMN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000477314326 877412111 /nfs/dbraw/zinc/41/21/11/877412111.db2.gz DRJXPNSVYLYXJP-INIZCTEOSA-N 0 1 379.819 3.728 20 5 GHBDMN CN(Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000788460814 878081730 /nfs/dbraw/zinc/08/17/30/878081730.db2.gz INFKQLLQGSZHKS-INIZCTEOSA-N 0 1 383.876 3.983 20 5 GHBDMN CC(C)(C)OC(=O)[C@@H]1CN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)Cc2ccccc21 ZINC000852319165 878234994 /nfs/dbraw/zinc/23/49/94/878234994.db2.gz ZFPSMTYNDRWCAU-WOJBJXKFSA-N 0 1 398.459 3.569 20 5 GHBDMN CC(C)(C)OC(=O)[C@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)Cc2ccccc21 ZINC000852319135 878236126 /nfs/dbraw/zinc/23/61/26/878236126.db2.gz ZBOHLGUOIQOQHX-PMACEKPBSA-N 0 1 398.459 3.569 20 5 GHBDMN O=[N+]([O-])c1ccc(NS(=O)(=O)c2cc(F)cc(F)c2)cc1C(F)(F)F ZINC000537752591 878240447 /nfs/dbraw/zinc/24/04/47/878240447.db2.gz QAVIQLAFQQWDAI-UHFFFAOYSA-N 0 1 382.266 3.693 20 5 GHBDMN O=c1oc2cccc([N+](=O)[O-])c2n1CN1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000795682456 912330245 /nfs/dbraw/zinc/33/02/45/912330245.db2.gz XLAMTLOPEZDWFC-BBWFWOEESA-N 0 1 379.416 3.728 20 5 GHBDMN COc1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000538130455 878910657 /nfs/dbraw/zinc/91/06/57/878910657.db2.gz XSQIMXYVYFTBRR-NEPJUHHUSA-N 0 1 377.828 3.935 20 5 GHBDMN COc1ccc([C@H](C)N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000538130457 878911166 /nfs/dbraw/zinc/91/11/66/878911166.db2.gz XSQIMXYVYFTBRR-RYUDHWBXSA-N 0 1 377.828 3.935 20 5 GHBDMN CC1(C)CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)[C@@H]1c1cccnc1 ZINC000452238763 879181587 /nfs/dbraw/zinc/18/15/87/879181587.db2.gz ATKNAXGFXVZVPN-GOSISDBHSA-N 0 1 377.404 3.603 20 5 GHBDMN Cc1c(S(=O)(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2n1C ZINC000790050729 879428968 /nfs/dbraw/zinc/42/89/68/879428968.db2.gz XQMYHBFVGSZLPK-UHFFFAOYSA-N 0 1 379.825 3.849 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000152688796 879574908 /nfs/dbraw/zinc/57/49/08/879574908.db2.gz AIWNSTSGLPSPES-KRWDZBQOSA-N 0 1 377.404 3.666 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000152688796 879574923 /nfs/dbraw/zinc/57/49/23/879574923.db2.gz AIWNSTSGLPSPES-KRWDZBQOSA-N 0 1 377.404 3.666 20 5 GHBDMN C[C@H](OC(=O)COc1ccccc1[N+](=O)[O-])c1nc2ccc(Cl)cc2[nH]1 ZINC000111989117 879601103 /nfs/dbraw/zinc/60/11/03/879601103.db2.gz WIINRQLNILGWKN-JTQLQIEISA-N 0 1 375.768 3.808 20 5 GHBDMN Cc1cc(Br)cc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000776740880 879815710 /nfs/dbraw/zinc/81/57/10/879815710.db2.gz CCUVIINQOZWAJS-UHFFFAOYSA-N 0 1 377.241 3.528 20 5 GHBDMN CC(C)c1nc2c([nH]1)CC[C@@H](C(=O)N1CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C1)C2 ZINC000452861692 880162914 /nfs/dbraw/zinc/16/29/14/880162914.db2.gz UFKRFZQVTVTUGJ-IAGOWNOFSA-N 0 1 396.491 3.952 20 5 GHBDMN CN(C)Cc1cc(-c2noc(CCC(=O)c3cccc([N+](=O)[O-])c3)n2)ccc1F ZINC000453111083 880480354 /nfs/dbraw/zinc/48/03/54/880480354.db2.gz PBRNXJCZQBMJRS-UHFFFAOYSA-N 0 1 398.394 3.661 20 5 GHBDMN O=[N+]([O-])c1cc(CN2CCC3(CC2)OCCc2ccccc23)c2c(c1)COCO2 ZINC000453570849 881016829 /nfs/dbraw/zinc/01/68/29/881016829.db2.gz DWPWHRVKNZJVPD-UHFFFAOYSA-N 0 1 396.443 3.525 20 5 GHBDMN COc1cc(CN2CCC3(CC2)OCCc2ccccc23)c([N+](=O)[O-])cc1OC ZINC000453578862 881083022 /nfs/dbraw/zinc/08/30/22/881083022.db2.gz VJQYXZJDMGCQPB-UHFFFAOYSA-N 0 1 398.459 3.676 20 5 GHBDMN COc1ccc([C@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)c2ccco2)cc1 ZINC001129781081 883206218 /nfs/dbraw/zinc/20/62/18/883206218.db2.gz SQQNEJSSAVWENN-SFHVURJKSA-N 0 1 392.371 3.592 20 5 GHBDMN C[C@@H](N[C@@H](C)CCc1ccccc1[N+](=O)[O-])c1ncc(Br)cn1 ZINC000551212166 883490274 /nfs/dbraw/zinc/49/02/74/883490274.db2.gz UGBIIIUYWGVNKX-NWDGAFQWSA-N 0 1 379.258 3.819 20 5 GHBDMN O=[N+]([O-])c1cc(F)cc(NS(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)c1 ZINC000475798558 883946279 /nfs/dbraw/zinc/94/62/79/883946279.db2.gz PRHQKBZPVADUQO-UHFFFAOYSA-N 0 1 396.730 3.790 20 5 GHBDMN C[C@@H](CNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000914571871 884178087 /nfs/dbraw/zinc/17/80/87/884178087.db2.gz OAESYBAZXISKTQ-HEWZJLJBSA-N 0 1 381.432 3.551 20 5 GHBDMN CN(C)c1ccc(C2CCN(Cn3ncc4cc([N+](=O)[O-])ccc43)CC2)cc1 ZINC000774692739 912876696 /nfs/dbraw/zinc/87/66/96/912876696.db2.gz JMTVIFRZELRYJQ-UHFFFAOYSA-N 0 1 379.464 3.848 20 5 GHBDMN O=C(Nc1ccc2[nH]nnc2c1)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000153390859 885072978 /nfs/dbraw/zinc/07/29/78/885072978.db2.gz NSYYASFKYOVJOU-UHFFFAOYSA-N 0 1 396.588 3.534 20 5 GHBDMN CC(C)(C)N1CC[C@](F)(C(=O)O[C@@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)C1 ZINC000861444731 885510942 /nfs/dbraw/zinc/51/09/42/885510942.db2.gz BVIUVJWHGRKYDM-XJKSGUPXSA-N 0 1 392.349 3.954 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(Cc2ccccc2)[C@H](C(C)C)C1 ZINC001131027848 885644502 /nfs/dbraw/zinc/64/45/02/885644502.db2.gz PXJDYLKFSALLEY-NRFANRHFSA-N 0 1 381.476 3.886 20 5 GHBDMN Cc1cc(N2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)c2cc([N+](=O)[O-])ccc2n1 ZINC000808083977 885983406 /nfs/dbraw/zinc/98/34/06/885983406.db2.gz HRDWDFJRPLDDCI-BBRMVZONSA-N 0 1 386.452 3.943 20 5 GHBDMN C[C@@H]1[C@H](Cc2ccccc2)CCN1Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000747469302 886134581 /nfs/dbraw/zinc/13/45/81/886134581.db2.gz ZIXXLTYHVHDDRH-APWZRJJASA-N 0 1 377.448 3.764 20 5 GHBDMN O=[N+]([O-])c1cn(CN2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)nc1-c1ccccn1 ZINC000863321066 887032745 /nfs/dbraw/zinc/03/27/45/887032745.db2.gz NPFOFATZEGJQFC-OKZBNKHCSA-N 0 1 375.432 3.546 20 5 GHBDMN CC(C)(C(=O)OC[C@H]1CCCN1Cc1ccco1)c1ccc([N+](=O)[O-])cc1F ZINC000763015545 887553467 /nfs/dbraw/zinc/55/34/67/887553467.db2.gz GPDXVLVBFJMMGH-OAHLLOKOSA-N 0 1 390.411 3.812 20 5 GHBDMN CSc1cccc(F)c1CNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000796006902 913168299 /nfs/dbraw/zinc/16/82/99/913168299.db2.gz XHKMQEPQFWCQCC-UHFFFAOYSA-N 0 1 390.845 3.588 20 5 GHBDMN COc1ccc(Cl)cc1NC(=O)[C@@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000194059797 887996123 /nfs/dbraw/zinc/99/61/23/887996123.db2.gz OSDDDLIFJWMROS-VXGBXAGGSA-N 0 1 377.828 3.935 20 5 GHBDMN O=[N+]([O-])c1cccc(OC[C@@H](O)CN[C@H](c2ccccc2)c2ccc(F)cc2)c1 ZINC000532703197 888351395 /nfs/dbraw/zinc/35/13/95/888351395.db2.gz JRBMQJOHDBCUCV-RBBKRZOGSA-N 0 1 396.418 3.853 20 5 GHBDMN O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc3[nH]ccc32)ccc1Br ZINC000121223329 889034779 /nfs/dbraw/zinc/03/47/79/889034779.db2.gz XXLHKILZNNBCGS-UHFFFAOYSA-N 0 1 396.222 3.639 20 5 GHBDMN O=C(CN(C1CC1)[C@H]1CCc2ccccc21)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000533031277 889576960 /nfs/dbraw/zinc/57/69/60/889576960.db2.gz WPNAMAXOENWBLO-NRFANRHFSA-N 0 1 377.444 3.636 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCc2cccc(F)c2[C@@H]1C ZINC000533288494 890198238 /nfs/dbraw/zinc/19/82/38/890198238.db2.gz MARDEKGXXLTULV-ZDUSSCGKSA-N 0 1 387.411 3.690 20 5 GHBDMN CN(Cc1ccc(Cl)cc1[N+](=O)[O-])C1CCN(C(=O)c2ccccc2)CC1 ZINC000533382885 890391956 /nfs/dbraw/zinc/39/19/56/890391956.db2.gz PXJPNWGWLABIBD-UHFFFAOYSA-N 0 1 387.867 3.985 20 5 GHBDMN C[C@@H](CNc1nc2ccc([N+](=O)[O-])cc2s1)N1CCN(c2ccccc2)CC1 ZINC001184856441 913493543 /nfs/dbraw/zinc/49/35/43/913493543.db2.gz JPHSNAQMYPMKLS-HNNXBMFYSA-N 0 1 397.504 3.827 20 5 GHBDMN Cc1ccc(Sc2ccc(CNC[C@H](C)S(C)(=O)=O)cc2[N+](=O)[O-])cc1 ZINC000533588284 890919240 /nfs/dbraw/zinc/91/92/40/890919240.db2.gz UKWSOQGBCQXFEE-AWEZNQCLSA-N 0 1 394.518 3.577 20 5 GHBDMN COCC(=O)Nc1cccc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2SC)c1 ZINC000872022313 891120709 /nfs/dbraw/zinc/12/07/09/891120709.db2.gz XFAOASICMSTOMF-ZDUSSCGKSA-N 0 1 389.477 3.752 20 5 GHBDMN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@H]1CS(=O)(=O)c2ccccc21 ZINC000872074392 891141536 /nfs/dbraw/zinc/14/15/36/891141536.db2.gz DMUVPURDSFIOSL-OLZOCXBDSA-N 0 1 392.502 3.538 20 5 GHBDMN Cc1c(CNCc2cccc(C(=O)NCc3ccco3)c2)cccc1[N+](=O)[O-] ZINC000917137947 891427450 /nfs/dbraw/zinc/42/74/50/891427450.db2.gz FNXBDUZFXKLSCW-UHFFFAOYSA-N 0 1 379.416 3.716 20 5 GHBDMN C[C@H]1CN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)[C@@H](C)CN1C ZINC000509684016 892784668 /nfs/dbraw/zinc/78/46/68/892784668.db2.gz JVVFBTRSLCVSFL-GJZGRUSLSA-N 0 1 385.489 3.911 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)c2ncnc(NCc3n[nH]c(-c4ccccc4)n3)c2c1 ZINC001185212072 913731534 /nfs/dbraw/zinc/73/15/34/913731534.db2.gz PPHCZOVQFSUDIM-UHFFFAOYSA-N 0 1 381.783 3.589 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)c2ncnc(NCc3nc(-c4ccccc4)n[nH]3)c2c1 ZINC001185212072 913731542 /nfs/dbraw/zinc/73/15/42/913731542.db2.gz PPHCZOVQFSUDIM-UHFFFAOYSA-N 0 1 381.783 3.589 20 5 GHBDMN O=C1OCCN1c1ccc(CNCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000877195006 893527999 /nfs/dbraw/zinc/52/79/99/893527999.db2.gz AGSBZDOFGWWACI-UHFFFAOYSA-N 0 1 395.337 3.860 20 5 GHBDMN COc1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000774854947 913780416 /nfs/dbraw/zinc/78/04/16/913780416.db2.gz LOUYLGSRUNUHDX-NEPJUHHUSA-N 0 1 377.828 3.935 20 5 GHBDMN CC(C)(C)N1CC[C@](F)(C(=O)OCc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000815251887 893635979 /nfs/dbraw/zinc/63/59/79/893635979.db2.gz ZVVYCARXTABUBR-MRXNPFEDSA-N 0 1 392.349 3.869 20 5 GHBDMN Cc1ccc(CN[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c(OC[C@@H]2CCOC2)c1 ZINC000815587806 894027720 /nfs/dbraw/zinc/02/77/20/894027720.db2.gz UCWHFTIEABXFBW-JKSUJKDBSA-N 0 1 385.464 3.752 20 5 GHBDMN COc1ccccc1C[C@@H](C)N(C)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878137356 894044623 /nfs/dbraw/zinc/04/46/23/894044623.db2.gz SWHWRGQWAUHRSD-CQSZACIVSA-N 0 1 382.420 3.716 20 5 GHBDMN COc1cc(CN[C@H](C)Cn2cccn2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000536899459 894062432 /nfs/dbraw/zinc/06/24/32/894062432.db2.gz DOMZQMYQDGSCOZ-MRXNPFEDSA-N 0 1 396.447 3.557 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(C[N@H+]2CC[C@H](c3ccccn3)C2)o1 ZINC000878553629 894379929 /nfs/dbraw/zinc/37/99/29/894379929.db2.gz PYMYJJNOIURLJF-LBPRGKRZSA-N 0 1 385.811 3.683 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(CN2CC[C@H](c3ccccn3)C2)o1 ZINC000878553629 894379935 /nfs/dbraw/zinc/37/99/35/894379935.db2.gz PYMYJJNOIURLJF-LBPRGKRZSA-N 0 1 385.811 3.683 20 5 GHBDMN Cc1ccc([C@H](C)NCC(=O)N2CCc3[nH]c4ccccc4c3C2)cc1[N+](=O)[O-] ZINC000537178265 894503793 /nfs/dbraw/zinc/50/37/93/894503793.db2.gz YERHSLGHCMDVCW-HNNXBMFYSA-N 0 1 392.459 3.620 20 5 GHBDMN Cc1cc(C(=O)Nc2ccc3oc(CN4CCCC4)nc3c2)ccc1[N+](=O)[O-] ZINC000816765001 895058526 /nfs/dbraw/zinc/05/85/26/895058526.db2.gz NWWVDUCNAFCYHW-UHFFFAOYSA-N 0 1 380.404 3.893 20 5 GHBDMN Nc1ccc(C(=O)N[C@@H](c2ccccc2)c2ccc3nc[nH]c3c2)cc1[N+](=O)[O-] ZINC000023388886 895119801 /nfs/dbraw/zinc/11/98/01/895119801.db2.gz OGXCLNSPKRSEIU-FQEVSTJZSA-N 0 1 387.399 3.573 20 5 GHBDMN COc1cc(CN2CCC3(CCN3C(=O)OC(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000817286819 895439086 /nfs/dbraw/zinc/43/90/86/895439086.db2.gz APCOKKVKSDWTBX-UHFFFAOYSA-N 0 1 391.468 3.579 20 5 GHBDMN O=[N+]([O-])c1ccc2[nH]c(CN[C@H]3c4ccccc4CC34CCOCC4)nc2c1 ZINC000568333267 897752350 /nfs/dbraw/zinc/75/23/50/897752350.db2.gz QVHXMWMHMFQBHR-FQEVSTJZSA-N 0 1 378.432 3.655 20 5 GHBDMN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000821176591 897780028 /nfs/dbraw/zinc/78/00/28/897780028.db2.gz RQIUDRXOELEXKY-MRXNPFEDSA-N 0 1 382.464 3.562 20 5 GHBDMN Cc1ccc([C@@H](CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)N2CCCC2)o1 ZINC000570151643 899159677 /nfs/dbraw/zinc/15/96/77/899159677.db2.gz AYCGDGWSYALIAX-GOSISDBHSA-N 0 1 385.464 3.727 20 5 GHBDMN CCCCN1Cc2cccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)c2C1 ZINC000570239195 899213668 /nfs/dbraw/zinc/21/36/68/899213668.db2.gz YOFZGUJEASGRKZ-UHFFFAOYSA-N 0 1 375.450 3.511 20 5 GHBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(n2cc(Br)cn2)CC1 ZINC000332470675 899693625 /nfs/dbraw/zinc/69/36/25/899693625.db2.gz SNTFEGFWLMQDDA-GFCCVEGCSA-N 0 1 379.258 3.952 20 5 GHBDMN CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)c1 ZINC000572018142 900035364 /nfs/dbraw/zinc/03/53/64/900035364.db2.gz CVNQFDLTNGRIJK-KRWDZBQOSA-N 0 1 397.475 3.730 20 5 GHBDMN C[C@@H]1CC2(CN1Cc1cccnc1[N+](=O)[O-])CCN(C(=O)OC(C)(C)C)CC2 ZINC000886251734 900909967 /nfs/dbraw/zinc/90/99/67/900909967.db2.gz JWOZGHWDFJGLJN-OAHLLOKOSA-N 0 1 390.484 3.601 20 5 GHBDMN CCC(C)(C)N1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC001144205513 901286531 /nfs/dbraw/zinc/28/65/31/901286531.db2.gz XUXXDKSMOKOINX-UHFFFAOYSA-N 0 1 385.917 3.673 20 5 GHBDMN O=C1CCCCN1C1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000093741602 901560861 /nfs/dbraw/zinc/56/08/61/901560861.db2.gz IUKUVLDVCGCLPK-UHFFFAOYSA-N 0 1 383.448 3.832 20 5 GHBDMN O=C([O-])/C=C/c1ccc(OCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000846237699 902812226 /nfs/dbraw/zinc/81/22/26/902812226.db2.gz RGQNICYULWOPHX-IZZDOVSWSA-N 0 1 382.416 3.736 20 5 GHBDMN O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@H](n2cncn2)C(F)(F)F)s1 ZINC000601144720 903388089 /nfs/dbraw/zinc/38/80/89/903388089.db2.gz MZEYKMPJBXOERG-HNNXBMFYSA-N 0 1 397.382 3.808 20 5 GHBDMN CC(C)(C)OC(=O)N1CC2(C1)CCN(Cc1ccc([N+](=O)[O-])c(F)c1)CC2 ZINC000847017437 903400868 /nfs/dbraw/zinc/40/08/68/903400868.db2.gz ZIISLPUKFYKEFU-UHFFFAOYSA-N 0 1 379.432 3.567 20 5 GHBDMN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1CC[C@@H](Cc2ccccc2)C1 ZINC001147850943 903891516 /nfs/dbraw/zinc/89/15/16/903891516.db2.gz YVPZERQFVZQPLD-INIZCTEOSA-N 0 1 376.416 3.690 20 5 GHBDMN C[C@@H](C(=O)OC(C)(C)C)N(C)C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173015441 906091548 /nfs/dbraw/zinc/09/15/48/906091548.db2.gz QJATVBXTMGVHMH-LBPRGKRZSA-N 0 1 399.438 3.504 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CCc3nc(Cl)ccc3C2)c1F ZINC001173187631 906269081 /nfs/dbraw/zinc/26/90/81/906269081.db2.gz BKKLLWANPRGFGN-LLVKDONJSA-N 0 1 379.819 3.780 20 5 GHBDMN COc1cc(F)c(CN[C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])c(F)c1 ZINC001173190446 906271226 /nfs/dbraw/zinc/27/12/26/906271226.db2.gz YNOWNDFPBSDORM-JTQLQIEISA-N 0 1 384.354 3.750 20 5 GHBDMN C[C@H](NCc1ccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000178650471 906367925 /nfs/dbraw/zinc/36/79/25/906367925.db2.gz JHONDPKCSGSNGC-ULQDDVLXSA-N 0 1 397.475 3.695 20 5 GHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(Cl)c2Br)s1 ZINC000191862884 907281800 /nfs/dbraw/zinc/28/18/00/907281800.db2.gz GJXBGGZBIVLEGF-UHFFFAOYSA-N 0 1 397.659 3.873 20 5 GHBDMN CCOc1ccc([C@H](C)NCc2ccc(N3CCOC3=O)cc2)cc1[N+](=O)[O-] ZINC000183738285 907449535 /nfs/dbraw/zinc/44/95/35/907449535.db2.gz IJNBITKCVDSQIR-AWEZNQCLSA-N 0 1 385.420 3.801 20 5 GHBDMN COc1ccc(NC(=O)[C@H](C)N2C[C@H]3[C@H](C[C@@H]3c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001175312323 907495800 /nfs/dbraw/zinc/49/58/00/907495800.db2.gz PDMQALXFAOPVGD-WLWJZTKJSA-N 0 1 395.459 3.666 20 5 GHBDMN COc1cc(C[N@H+]2CCS[C@@H](C)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000192185127 907520754 /nfs/dbraw/zinc/52/07/54/907520754.db2.gz KJMDFLPUKJTOAH-NSHDSACASA-N 0 1 376.425 3.575 20 5 GHBDMN COc1cc(CN2CCS[C@@H](C)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000192185127 907520758 /nfs/dbraw/zinc/52/07/58/907520758.db2.gz KJMDFLPUKJTOAH-NSHDSACASA-N 0 1 376.425 3.575 20 5 GHBDMN O=C([O-])CC[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C[C@@H]1CCCO1 ZINC000901681766 921468459 /nfs/dbraw/zinc/46/84/59/921468459.db2.gz NQAXEUMKYPZEOS-INIZCTEOSA-N 0 1 390.461 3.779 20 5 GHBDMN CC[C@@H](N[C@H](C)c1ccccc1[N+](=O)[O-])c1ccccc1OCC(=O)N(C)C 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JOTPMHNQGOPRNV-JTQLQIEISA-N 0 1 383.235 3.804 20 5 GHBDMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000271621173 910988760 /nfs/dbraw/zinc/98/87/60/910988760.db2.gz DYKIWNNTFADOPK-INIZCTEOSA-N 0 1 397.479 3.538 20 5 GHBDMN O=[N+]([O-])c1cc(CN(Cc2ccc(-n3cncn3)cc2)C2CC2)ccc1Cl ZINC000801972121 921712898 /nfs/dbraw/zinc/71/28/98/921712898.db2.gz GTMJKNYSPDYYPG-UHFFFAOYSA-N 0 1 383.839 3.994 20 5 GHBDMN CCCCc1c(C)nc2nc(SCc3cc(O)ccc3[N+](=O)[O-])nn2c1C ZINC001188661302 916084058 /nfs/dbraw/zinc/08/40/58/916084058.db2.gz YYALIKOVBYOHIQ-UHFFFAOYSA-N 0 1 387.465 3.990 20 5 GHBDMN Cc1cc(Cl)c(S(=O)(=O)N[C@](C)(C2CC2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000775207444 916269701 /nfs/dbraw/zinc/26/97/01/916269701.db2.gz GBHZADAGABJKFB-GFCCVEGCSA-N 0 1 386.779 3.566 20 5 GHBDMN Cc1cc(S(=O)(=O)Nc2cccc(C(C)(C)C)c2O)cc([N+](=O)[O-])c1F ZINC000775295074 916841515 /nfs/dbraw/zinc/84/15/15/916841515.db2.gz AWOOQZRERBIQIK-UHFFFAOYSA-N 0 1 382.413 3.846 20 5 GHBDMN C[C@H]1CN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CCN(C2CC2)C1 ZINC000295477419 917322922 /nfs/dbraw/zinc/32/29/22/917322922.db2.gz YTZROQXXBIXUDF-OAHLLOKOSA-N 0 1 375.472 3.650 20 5 GHBDMN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)CCCOc1cccc(Cl)c1 ZINC001190417459 917323904 /nfs/dbraw/zinc/32/39/04/917323904.db2.gz IVEHHDUKOGZFCA-AWEZNQCLSA-N 0 1 391.855 3.976 20 5 GHBDMN C[C@H](CO)[C@H](C)N[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000295800806 917508155 /nfs/dbraw/zinc/50/81/55/917508155.db2.gz SLTMXOVHJSXCEM-FHSNZYRGSA-N 0 1 391.855 3.535 20 5 GHBDMN O=[N+]([O-])c1ccc(Cl)cc1CNC[C@H](O)c1cccc(Br)c1 ZINC000800288275 919843685 /nfs/dbraw/zinc/84/36/85/919843685.db2.gz JCNUPXZSSXFUTN-HNNXBMFYSA-N 0 1 385.645 3.834 20 5 GHBDMN CC(C)(C)C1=CCN(CCNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000803121770 922713526 /nfs/dbraw/zinc/71/35/26/922713526.db2.gz LDMNTTLQOQGVCR-UHFFFAOYSA-N 0 1 397.878 3.724 20 5 GHBDMN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000749049291 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IBOGSNZPMDBAPH-UHFFFAOYSA-N 0 1 379.420 3.628 20 5 GHBDMN Cc1cc(Cl)c(S(=O)(=O)Nc2ccccc2N2CCCC2)cc1[N+](=O)[O-] ZINC000752196639 928675969 /nfs/dbraw/zinc/67/59/69/928675969.db2.gz YPGDXVVKQYEUHM-UHFFFAOYSA-N 0 1 395.868 3.958 20 5 GHBDMN CCS(=O)(=O)c1cccc(CN[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c1 ZINC000467415157 929048300 /nfs/dbraw/zinc/04/83/00/929048300.db2.gz AKNOJPKRCORXFY-LJQANCHMSA-N 0 1 388.489 3.901 20 5 GHBDMN COC(=O)Nc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)cc1 ZINC000753065243 929188166 /nfs/dbraw/zinc/18/81/66/929188166.db2.gz CQZFSOMZDAXSRD-UHFFFAOYSA-N 0 1 399.812 3.536 20 5 GHBDMN Cc1ccc(N2CCN(Cc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000753577340 929427394 /nfs/dbraw/zinc/42/73/94/929427394.db2.gz SCVVWPBSHBKFPG-UHFFFAOYSA-N 0 1 391.475 3.626 20 5 GHBDMN Cc1nnc(SCC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)[nH]1 ZINC000469540396 929976418 /nfs/dbraw/zinc/97/64/18/929976418.db2.gz RDCQOECDTIJZRZ-UHFFFAOYSA-N 0 1 385.405 3.544 20 5 GHBDMN 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1040332846 /nfs/dbraw/zinc/33/28/46/1040332846.db2.gz FLRGDKWEPVPRPL-OXQOHEQNSA-N 0 1 398.507 3.768 20 5 GHBDMN Cc1cc(C)n(Cc2cccc(-c3nnc(-c4ccc(O)cc4[N+](=O)[O-])o3)c2)n1 ZINC001257484466 1044013987 /nfs/dbraw/zinc/01/39/87/1044013987.db2.gz VAMLNQWSIJQLJJ-UHFFFAOYSA-N 0 1 391.387 3.879 20 5 GHBDMN CC[C@@H]1CN(C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC001296188338 1045275459 /nfs/dbraw/zinc/27/54/59/1045275459.db2.gz HFBCRWYKCQGGDU-YLJYHZDGSA-N 0 1 381.476 3.821 20 5 GHBDMN CN1CCN(c2ccc([N+](=O)[O-])c(NC(=O)C[C@H]3CCCCC3(C)C)c2)CC1 ZINC001463054778 1070760346 /nfs/dbraw/zinc/76/03/46/1070760346.db2.gz GTWQDBVBCWTHGA-MRXNPFEDSA-N 0 1 388.512 3.892 20 5 GHBDMN O=C(CCc1cc(F)ccc1[N+](=O)[O-])Nc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC001306473867 1048688820 /nfs/dbraw/zinc/68/88/20/1048688820.db2.gz RTFOFPKGWCIFHG-UHFFFAOYSA-N 0 1 389.774 3.744 20 5 GHBDMN CCCCCCC(=O)N(C)c1cc([N+](=O)[O-])cc(N2CCN(CC)CC2)c1 ZINC001287669774 1048871866 /nfs/dbraw/zinc/87/18/66/1048871866.db2.gz GTJJOUCAJLYAKE-UHFFFAOYSA-N 0 1 376.501 3.670 20 5 GHBDMN C[C@H]1CN(c2ccc(Cl)c(F)c2)CCN1CCOc1cccc([N+](=O)[O-])c1 ZINC001307822714 1049617486 /nfs/dbraw/zinc/61/74/86/1049617486.db2.gz YDFGDCDSGOHHBZ-AWEZNQCLSA-N 0 1 393.846 3.977 20 5 GHBDMN C[C@H](NCC(=O)NCCc1cccc(Cl)c1Cl)c1ccc([N+](=O)[O-])cc1 ZINC001308066554 1049813531 /nfs/dbraw/zinc/81/35/31/1049813531.db2.gz BVOOGKXVAIOOAX-LBPRGKRZSA-N 0 1 396.274 3.911 20 5 GHBDMN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[N@@H+](C2CCCC2)[C@@H](C)C1 ZINC001308079574 1049824653 /nfs/dbraw/zinc/82/46/53/1049824653.db2.gz MKBZOOBBYLYHKM-KBPBESRZSA-N 0 1 394.903 3.524 20 5 GHBDMN Cc1ccccc1CN1CCCN(C(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC001290788999 1049924471 /nfs/dbraw/zinc/92/44/71/1049924471.db2.gz RACRDQUKOLGKJV-UHFFFAOYSA-N 0 1 381.476 3.868 20 5 GHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCc2cccc(CC3CCC3)c2)cc1 ZINC001308364891 1049959102 /nfs/dbraw/zinc/95/91/02/1049959102.db2.gz FXDRVWAJCKIDFP-UHFFFAOYSA-N 0 1 388.489 3.501 20 5 GHBDMN O=[N+]([O-])c1cccc(CN(Cc2ncc(Br)cc2O)C2CC2)c1 ZINC001308570739 1050013486 /nfs/dbraw/zinc/01/34/86/1050013486.db2.gz LRVOVTVUFDBBFY-UHFFFAOYSA-N 0 1 378.226 3.623 20 5 GHBDMN O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3cccc(Oc4ccccn4)c3)C2)nc1 ZINC001308573457 1050015508 /nfs/dbraw/zinc/01/55/08/1050015508.db2.gz KAILJJPRXMULGN-KRWDZBQOSA-N 0 1 391.431 3.864 20 5 GHBDMN CC[C@@H](C)c1nc([C@@H](C)Nc2ncnc3c(Cl)cc([N+](=O)[O-])cc23)n[nH]1 ZINC001327697603 1050256975 /nfs/dbraw/zinc/25/69/75/1050256975.db2.gz HGZVZOIWRCBJPS-RKDXNWHRSA-N 0 1 375.820 3.996 20 5 GHBDMN CC[C@@H](C)Oc1cc(C)ccc1CNS(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC001309307650 1050578493 /nfs/dbraw/zinc/57/84/93/1050578493.db2.gz GXOOAONRTCDNDV-GFCCVEGCSA-N 0 1 398.506 3.929 20 5 GHBDMN CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC001310848844 1051647751 /nfs/dbraw/zinc/64/77/51/1051647751.db2.gz PEIFVYOXQADQEQ-BEFAXECRSA-N 0 1 382.464 3.942 20 5 GHBDMN CC(C)c1n[nH]c(NC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)n1 ZINC001321369266 1056236639 /nfs/dbraw/zinc/23/66/39/1056236639.db2.gz MUNULNFLLJVDEF-STQMWFEESA-N 0 1 386.456 3.571 20 5 GHBDMN CC(C)c1nc(NC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)n[nH]1 ZINC001321369266 1056236650 /nfs/dbraw/zinc/23/66/50/1056236650.db2.gz MUNULNFLLJVDEF-STQMWFEESA-N 0 1 386.456 3.571 20 5 GHBDMN Cc1nc(-c2ccc3c(c2)CCN3C(=O)c2cc(O)cc([N+](=O)[O-])c2)cs1 ZINC001324103679 1057070855 /nfs/dbraw/zinc/07/08/55/1057070855.db2.gz VELFUNKUXPZAQK-UHFFFAOYSA-N 0 1 381.413 3.935 20 5 GHBDMN Cn1ccnc1[C@@H](NC1CCC2(CCOCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC001325874637 1057377758 /nfs/dbraw/zinc/37/77/58/1057377758.db2.gz UADHKXZYVJIRFS-IBGZPJMESA-N 0 1 384.480 3.747 20 5 GHBDMN CC(C)COc1ccc(NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)cn1 ZINC001443843580 1059215216 /nfs/dbraw/zinc/21/52/16/1059215216.db2.gz FAUQTRHJWBGXGI-UHFFFAOYSA-N 0 1 381.392 3.667 20 5 GHBDMN C[C@@H](C(=O)Nc1nc(-c2ccc3ccccc3n2)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC001450075368 1060524704 /nfs/dbraw/zinc/52/47/04/1060524704.db2.gz NHNGSHWORKHWDP-GFCCVEGCSA-N 0 1 388.387 3.670 20 5 GHBDMN C[C@H]1CN(Cc2ccc(-c3nnc(-c4cccc([N+](=O)[O-])c4)o3)cc2)C[C@H](C)O1 ZINC001341253420 1060530402 /nfs/dbraw/zinc/53/04/02/1060530402.db2.gz UEVPECUCTCIOOU-GJZGRUSLSA-N 0 1 394.431 3.921 20 5 GHBDMN CN(C(=O)CCc1ccc([N+](=O)[O-])cc1Cl)[C@@H](c1nnc[nH]1)c1ccccc1 ZINC001451080016 1060734400 /nfs/dbraw/zinc/73/44/00/1060734400.db2.gz MVCCKIARFWFRCS-GOSISDBHSA-N 0 1 399.838 3.547 20 5 GHBDMN C[C@@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])[C@@H]1CNC(=O)OC(C)(C)C ZINC001459611678 1064142025 /nfs/dbraw/zinc/14/20/25/1064142025.db2.gz TUEHONZFUFTRHR-NVXWUHKLSA-N 0 1 393.484 3.599 20 5 GHBDMN CN(Cc1ccccc1)C1CN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC001467937851 1067535541 /nfs/dbraw/zinc/53/55/41/1067535541.db2.gz JHNDBUKCLKPLJL-UHFFFAOYSA-N 0 1 381.476 3.849 20 5 GHBDMN COc1nccc2c(NC(=O)c3cc(-c4ccc([N+](=O)[O-])cc4)n[nH]3)cccc21 ZINC001468822778 1067901044 /nfs/dbraw/zinc/90/10/44/1067901044.db2.gz DUMXOXBKLPVLCT-UHFFFAOYSA-N 0 1 389.371 3.794 20 5 GHBDMN COc1cc(CN[C@@H]2CCN(C(=O)OC(C)(C)C)C2(C)C)c([N+](=O)[O-])cc1F ZINC001460239896 1068878508 /nfs/dbraw/zinc/87/85/08/1068878508.db2.gz LMHDSYKUTDQOSQ-MRXNPFEDSA-N 0 1 397.447 3.620 20 5 GHBDMN Cc1cc(N2CC[C@@]3(C2)CN(Cc2ccccc2)C[C@H](C)O3)ccc1[N+](=O)[O-] ZINC001472862316 1073700678 /nfs/dbraw/zinc/70/06/78/1073700678.db2.gz LNAHBAOWEAERRG-AVRDEDQJSA-N 0 1 381.476 3.773 20 5 GHBDMN COc1ccc(C[C@@H]2CCCCN2CC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 ZINC001473619983 1074052059 /nfs/dbraw/zinc/05/20/59/1074052059.db2.gz UFZAEXHWNVMTHL-SFHVURJKSA-N 0 1 397.475 3.948 20 5 GHBDMN CC[C@H](N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1cccc(OC)c1OC ZINC001473733015 1074114318 /nfs/dbraw/zinc/11/43/18/1074114318.db2.gz RYLRHJYWUFBLSE-GUYCJALGSA-N 0 1 387.436 3.680 20 5 GHBDMN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNC[C@H](O)C(F)(F)C(F)(F)F ZINC001474681538 1074511882 /nfs/dbraw/zinc/51/18/82/1074511882.db2.gz ADMPPPIIHQMFBI-QMMMGPOBSA-N 0 1 383.100 3.550 20 5 GHBDMN Cc1ccc(C[C@H](CO)NCc2cc(Br)c([N+](=O)[O-])s2)cc1C ZINC001652611546 1126253643 /nfs/dbraw/zinc/25/36/43/1126253643.db2.gz DVLPZCWDTFKKPB-CYBMUJFWSA-N 0 1 399.310 3.729 20 5 GHBDMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000263574818 604681051 /nfs/dbraw/zinc/68/10/51/604681051.db2.gz NZXRGWNFHHPPFV-LNSITVRQSA-N 0 1 383.242 3.575 20 5 GHBDMN Cc1cc(Cl)nc(N2CCn3c(CN(C)C(C)C)cnc3[C@@H]2C)c1[N+](=O)[O-] ZINC001164861458 720946659 /nfs/dbraw/zinc/94/66/59/720946659.db2.gz SNNCHUUFBDNABD-ZDUSSCGKSA-N 0 1 392.891 3.570 20 5 GHBDMN CC(C)N(C)Cc1cnc2n1CCN(c1nccc3ccc([N+](=O)[O-])cc31)[C@@H]2C ZINC001164859689 720992739 /nfs/dbraw/zinc/99/27/39/720992739.db2.gz LJKNDRPKFDTVCN-OAHLLOKOSA-N 0 1 394.479 3.761 20 5 GHBDMN CCOc1cccc([C@H](C)NCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000180713329 837481814 /nfs/dbraw/zinc/48/18/14/837481814.db2.gz CQKOUPLDVLJXSU-LBPRGKRZSA-N 0 1 377.828 3.936 20 5 GHBDMN CCC[C@H](N[C@@H]1CCN(Cc2ccc(OC)cc2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000180911971 837680523 /nfs/dbraw/zinc/68/05/23/837680523.db2.gz BLJNBHXYAUKURB-LEWJYISDSA-N 0 1 397.475 3.835 20 5 GHBDMN Cc1nc(-c2ccc(NS(=O)(=O)c3csc([N+](=O)[O-])c3)cc2)cs1 ZINC000120131499 834590030 /nfs/dbraw/zinc/59/00/30/834590030.db2.gz CCZISAWWZNWLID-UHFFFAOYSA-N 0 1 381.460 3.889 20 5 GHBDMN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCc1n[nH]c(C(C)(C)C)n1 ZINC000458020389 837797298 /nfs/dbraw/zinc/79/72/98/837797298.db2.gz GCCAHUCQYHQVEB-UHFFFAOYSA-N 0 1 391.497 3.689 20 5 GHBDMN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)Nc1ccc(N2CCN(C)CC2)cc1C ZINC000120197089 834817012 /nfs/dbraw/zinc/81/70/12/834817012.db2.gz CRNLXOVBDSIRFO-UHFFFAOYSA-N 0 1 397.479 3.916 20 5 GHBDMN CC(C)CCSc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000610187818 834884091 /nfs/dbraw/zinc/88/40/91/834884091.db2.gz LPCLONHPUJPMBZ-MRXNPFEDSA-N 0 1 379.526 3.899 20 5 GHBDMN O=C(NC[C@@H]1CCCCN1C1CC1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000278378307 834888127 /nfs/dbraw/zinc/88/81/27/834888127.db2.gz SPRRSYBWQNULHZ-INIZCTEOSA-N 0 1 375.472 3.840 20 5 GHBDMN COc1ccccc1COC1CCN(Cc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000430207005 835098144 /nfs/dbraw/zinc/09/81/44/835098144.db2.gz YCFFVEGEVMHKOC-UHFFFAOYSA-N 0 1 386.448 3.793 20 5 GHBDMN CCN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H](COC)Cc1ccccc1 ZINC000472339401 835129080 /nfs/dbraw/zinc/12/90/80/835129080.db2.gz CITGKYQMGWZWLV-IBGZPJMESA-N 0 1 396.447 3.724 20 5 GHBDMN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc(Cl)c(C[NH+](C)C)c2)c1C ZINC000500796225 844026124 /nfs/dbraw/zinc/02/61/24/844026124.db2.gz PPFPMOCRIOWBLO-UHFFFAOYSA-N 0 1 397.884 3.727 20 5 GHBDMN CC[C@@H](N[C@H]1CC(=O)N(c2c(F)cccc2F)C1)c1cccc([N+](=O)[O-])c1 ZINC000536170519 835305198 /nfs/dbraw/zinc/30/51/98/835305198.db2.gz KOEJBBSITFQRJE-SUMWQHHRSA-N 0 1 375.375 3.719 20 5 GHBDMN CCOc1ccc([C@H](C)NCc2ccccc2N2CCOCC2)cc1[N+](=O)[O-] ZINC000179411348 835682513 /nfs/dbraw/zinc/68/25/13/835682513.db2.gz JASCMUOBTNQYDQ-INIZCTEOSA-N 0 1 385.464 3.681 20 5 GHBDMN CCc1[nH]nc(C(=O)N(Cc2c(F)cccc2F)C2CCCC2)c1[N+](=O)[O-] ZINC000188416014 835842770 /nfs/dbraw/zinc/84/27/70/835842770.db2.gz YSEVYRSGESGTHC-UHFFFAOYSA-N 0 1 378.379 3.744 20 5 GHBDMN C[C@H](N[C@@H](C)c1cccc(OC(F)F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000179578784 835883757 /nfs/dbraw/zinc/88/37/57/835883757.db2.gz QXYRBPFUMQGVCC-RYUDHWBXSA-N 0 1 379.363 3.874 20 5 GHBDMN COc1ccc(CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C(C)(C)C)cc1 ZINC000410873013 836056326 /nfs/dbraw/zinc/05/63/26/836056326.db2.gz QASJXSKTIIIRGR-UHFFFAOYSA-N 0 1 382.420 3.921 20 5 GHBDMN CS(=O)(=O)c1ccc(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1Cl ZINC000278791589 836062317 /nfs/dbraw/zinc/06/23/17/836062317.db2.gz QJYKBAKQCQWUDA-KRWDZBQOSA-N 0 1 394.880 3.819 20 5 GHBDMN COc1ccc(CN2CCCN(C(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2)cc1 ZINC000043149533 836283940 /nfs/dbraw/zinc/28/39/40/836283940.db2.gz ALZGSCQXAGZPKS-UHFFFAOYSA-N 0 1 398.463 3.652 20 5 GHBDMN Nc1c(F)c(N2CCN(Cc3cccc4ccccc43)CC2)ccc1[N+](=O)[O-] ZINC000471245939 836331098 /nfs/dbraw/zinc/33/10/98/836331098.db2.gz TVDLYQOKXGATCD-UHFFFAOYSA-N 0 1 380.423 3.792 20 5 GHBDMN CCOc1cc(CN(CC)Cc2ccc(C(=O)N(C)C)cc2)ccc1[N+](=O)[O-] ZINC000276969615 844197549 /nfs/dbraw/zinc/19/75/49/844197549.db2.gz WRZARSJIWAVWCU-UHFFFAOYSA-N 0 1 385.464 3.717 20 5 GHBDMN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180423860 837250985 /nfs/dbraw/zinc/25/09/85/837250985.db2.gz VYGFSOMGCANLDV-AWEZNQCLSA-N 0 1 393.447 3.687 20 5 GHBDMN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC(c2c[nH]c3ncccc23)CC1 ZINC000118838090 837931540 /nfs/dbraw/zinc/93/15/40/837931540.db2.gz GUZDHJAZSPOFTR-AWEZNQCLSA-N 0 1 393.447 3.678 20 5 GHBDMN O=C(c1ccc(CN2CCSCC2)cc1)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000121032333 837974187 /nfs/dbraw/zinc/97/41/87/837974187.db2.gz YMIYXOVFPSIBSX-UHFFFAOYSA-N 0 1 397.500 3.737 20 5 GHBDMN CC1(C)CO[C@@H](CN2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)C1 ZINC001167315270 838232553 /nfs/dbraw/zinc/23/25/53/838232553.db2.gz WIZXPUYFCZWNHG-CQSZACIVSA-N 0 1 387.402 3.551 20 5 GHBDMN CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)c2ccccc12 ZINC000182258794 839017650 /nfs/dbraw/zinc/01/76/50/839017650.db2.gz WUORTHLRPOMEKW-UHFFFAOYSA-N 0 1 385.401 3.507 20 5 GHBDMN CC(C)Oc1cc(C(=O)NCc2ccc(F)c(CN(C)C)c2)ccc1[N+](=O)[O-] ZINC000412110068 839624628 /nfs/dbraw/zinc/62/46/28/839624628.db2.gz LDZNEBOQUYQTGW-UHFFFAOYSA-N 0 1 389.427 3.513 20 5 GHBDMN CC(=O)c1ccc(O)c(NC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)c1 ZINC000512553315 844507749 /nfs/dbraw/zinc/50/77/49/844507749.db2.gz BMVSVYYSPVGDEE-ZDUSSCGKSA-N 0 1 397.431 3.992 20 5 GHBDMN CC[C@@H](CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000429837606 844561380 /nfs/dbraw/zinc/56/13/80/844561380.db2.gz LTBHQUHAYAPRFY-IBGZPJMESA-N 0 1 395.503 3.826 20 5 GHBDMN CCS(=O)(=O)c1cccc(CN[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000417330346 840732014 /nfs/dbraw/zinc/73/20/14/840732014.db2.gz KTEBIJAVFNTHOI-FQEVSTJZSA-N 0 1 388.489 3.946 20 5 GHBDMN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC000610451568 841358566 /nfs/dbraw/zinc/35/85/66/841358566.db2.gz USYHYEXGNZFPTI-MSOLQXFVSA-N 0 1 396.491 3.518 20 5 GHBDMN Cc1ccc([C@H](C)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)cc1[N+](=O)[O-] ZINC000157189105 841638187 /nfs/dbraw/zinc/63/81/87/841638187.db2.gz BBGKDBFHYAOTIB-BBWFWOEESA-N 0 1 384.480 3.763 20 5 GHBDMN Cc1noc(C)c1CO[C@H]1CCN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)C1 ZINC000302172729 861229491 /nfs/dbraw/zinc/22/94/91/861229491.db2.gz VBGLBBRYNXROLA-INIZCTEOSA-N 0 1 382.420 3.852 20 5 GHBDMN Cc1cc(N2CC[N@@H+](Cc3ccccc3)C[C@@H](C)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000581610621 841783261 /nfs/dbraw/zinc/78/32/61/841783261.db2.gz WTSULSZTCWHHON-OAHLLOKOSA-N 0 1 383.448 3.560 20 5 GHBDMN COC[C@@](C)(CO)NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000610519008 841855208 /nfs/dbraw/zinc/85/52/08/841855208.db2.gz XNIFAHCVHASGHP-GOSISDBHSA-N 0 1 380.828 3.528 20 5 GHBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133270 841858730 /nfs/dbraw/zinc/85/87/30/841858730.db2.gz OKKAMUQELLAVTM-XMSQKQJNSA-N 0 1 397.475 3.941 20 5 GHBDMN C[C@@H]1CN(c2ccc(CN[C@H]3CC(C)(C)c4ccc([N+](=O)[O-])cc43)cn2)CCO1 ZINC000279108357 842599058 /nfs/dbraw/zinc/59/90/58/842599058.db2.gz OZSNZZICUHWPMU-QRWLVFNGSA-N 0 1 396.491 3.727 20 5 GHBDMN O=C1C[C@@H](c2ccccc2)N(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCN1 ZINC000510540624 842930802 /nfs/dbraw/zinc/93/08/02/842930802.db2.gz WLLXMOHPJWWUHU-FQEVSTJZSA-N 0 1 391.427 3.918 20 5 GHBDMN COc1ccc(C(C)(C)NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1F ZINC000599597501 861385609 /nfs/dbraw/zinc/38/56/09/861385609.db2.gz FPBOOGLFBYVOLF-UHFFFAOYSA-N 0 1 395.818 3.859 20 5 GHBDMN O=C(CN(C[C@@H]1CCCO1)C1CCCC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000302997239 861446681 /nfs/dbraw/zinc/44/66/81/861446681.db2.gz GUNBDBVBBSQHBN-HNNXBMFYSA-N 0 1 381.860 3.610 20 5 GHBDMN CC1(C)C[C@H](N[C@H]2CCN(c3ccccc3F)C2=O)c2cc([N+](=O)[O-])ccc21 ZINC000433286543 843984968 /nfs/dbraw/zinc/98/49/68/843984968.db2.gz OCMHWHOLBJQXDI-ROUUACIJSA-N 0 1 383.423 3.851 20 5 GHBDMN C[C@@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(F)c(Br)c1 ZINC000610831080 844644413 /nfs/dbraw/zinc/64/44/13/844644413.db2.gz VNQHSCSCGOTTHS-SNVBAGLBSA-N 0 1 396.216 3.786 20 5 GHBDMN CC(C)CCSc1ccc(C(=O)N2CCN(CC3CC3)CC2)cc1[N+](=O)[O-] ZINC000603983983 861503815 /nfs/dbraw/zinc/50/38/15/861503815.db2.gz RSDPSZNBXCRJRQ-UHFFFAOYSA-N 0 1 391.537 3.901 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N2CCC(c3c[nH]c4ccccc43)CC2)c1[N+](=O)[O-] ZINC000610917108 844852976 /nfs/dbraw/zinc/85/29/76/844852976.db2.gz CXCYPGYVEWGENV-UHFFFAOYSA-N 0 1 381.436 3.942 20 5 GHBDMN COC[C@@H](C)N(Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1CCc2ccccc21 ZINC000599683245 861523565 /nfs/dbraw/zinc/52/35/65/861523565.db2.gz OWMJYGNLSXHSTA-VFNWGFHPSA-N 0 1 398.459 3.986 20 5 GHBDMN Cc1ccccc1CN(Cc1ccccn1)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000433762290 845325409 /nfs/dbraw/zinc/32/54/09/845325409.db2.gz MWAONMNHFPJWCW-UHFFFAOYSA-N 0 1 393.447 3.987 20 5 GHBDMN COc1ccc(NC(=O)CN[C@@H](C)c2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c1 ZINC000182468428 845463642 /nfs/dbraw/zinc/46/36/42/845463642.db2.gz LYVAUPHBASDASR-NSHDSACASA-N 0 1 397.353 3.912 20 5 GHBDMN CC[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1cccc(Cl)c1 ZINC000182590781 845494724 /nfs/dbraw/zinc/49/47/24/845494724.db2.gz IUBGKKHPXBXFOD-HNNXBMFYSA-N 0 1 377.828 3.936 20 5 GHBDMN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000119528651 845512220 /nfs/dbraw/zinc/51/22/20/845512220.db2.gz BTYNGBAVOKSVKH-RKDXNWHRSA-N 0 1 386.779 3.648 20 5 GHBDMN CCn1ncc2ccc(NS(=O)(=O)c3cc([N+](=O)[O-])c(C)cc3Cl)cc21 ZINC000176645940 846182876 /nfs/dbraw/zinc/18/28/76/846182876.db2.gz BVQDJMJOSVEOGX-UHFFFAOYSA-N 0 1 394.840 3.727 20 5 GHBDMN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 ZINC000135511912 846502292 /nfs/dbraw/zinc/50/22/92/846502292.db2.gz OLPRBPOHRFNJTD-UHFFFAOYSA-N 0 1 396.375 3.826 20 5 GHBDMN O=C(NCc1cnc[nH]1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000478828714 847300991 /nfs/dbraw/zinc/30/09/91/847300991.db2.gz NXZHNNHVCVZXHF-UHFFFAOYSA-N 0 1 385.811 3.513 20 5 GHBDMN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@](C)(c1ccccc1)C(F)(F)F ZINC000479150633 847524279 /nfs/dbraw/zinc/52/42/79/847524279.db2.gz AFOBVVYIDQLLGI-HNNXBMFYSA-N 0 1 388.367 3.659 20 5 GHBDMN Cn1cc(CNCc2ccc3c(n2)CCCC3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000277683583 847541660 /nfs/dbraw/zinc/54/16/60/847541660.db2.gz JRZQQQBANZCDIX-UHFFFAOYSA-N 0 1 377.448 3.559 20 5 GHBDMN O=[N+]([O-])c1ccc(CN(Cc2cccc(CN3CCOCC3)c2)C2CC2)cc1 ZINC000420928326 847547562 /nfs/dbraw/zinc/54/75/62/847547562.db2.gz CRHNHTYVZZOFLU-UHFFFAOYSA-N 0 1 381.476 3.592 20 5 GHBDMN Cc1ccc([C@H](C)N[C@H](C)C(=O)NCCc2c[nH]c3ccccc23)cc1[N+](=O)[O-] ZINC000178690360 848541927 /nfs/dbraw/zinc/54/19/27/848541927.db2.gz INNYPIAEIULDKN-JKSUJKDBSA-N 0 1 394.475 3.783 20 5 GHBDMN CC(C)(C)CCOc1cnccc1CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000583284112 849525120 /nfs/dbraw/zinc/52/51/20/849525120.db2.gz PLZOBTVEDAHMGD-UHFFFAOYSA-N 0 1 397.435 3.611 20 5 GHBDMN Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)n1 ZINC000514604583 850046312 /nfs/dbraw/zinc/04/63/12/850046312.db2.gz FASGPYKCBOSFFL-QGZVFWFLSA-N 0 1 398.463 3.709 20 5 GHBDMN CC[C@@H](C)c1nc([C@@H](C)Nc2ncc([N+](=O)[O-])c(C)c2Br)n[nH]1 ZINC000486791704 850099333 /nfs/dbraw/zinc/09/93/33/850099333.db2.gz PBTOLUUQPRJLGT-VXNVDRBHSA-N 0 1 383.250 3.865 20 5 GHBDMN COc1ccc(NC(=O)[C@@H](C)N[C@@H](C)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000027537248 850313536 /nfs/dbraw/zinc/31/35/36/850313536.db2.gz OEIKOQBGMLFQBP-NWDGAFQWSA-N 0 1 377.828 3.935 20 5 GHBDMN CCOc1ccc([C@H](C)N[C@H]2CCCN(c3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000504899243 850404407 /nfs/dbraw/zinc/40/44/07/850404407.db2.gz CPCSQWKKLOPADO-YJBOKZPZSA-N 0 1 383.448 3.840 20 5 GHBDMN CCOc1ccc([C@H](C)NCC(=O)N(CC)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000504927697 850464883 /nfs/dbraw/zinc/46/48/83/850464883.db2.gz SSQIZUGAFBZTSB-INIZCTEOSA-N 0 1 385.464 3.693 20 5 GHBDMN CCCC(=O)Nc1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2CC)c1 ZINC000519200844 850751003 /nfs/dbraw/zinc/75/10/03/850751003.db2.gz JQUDQBXIBNVYMK-UHFFFAOYSA-N 0 1 391.449 3.697 20 5 GHBDMN CNc1c(C(=O)Nc2nc3c(s2)CN(C(C)(C)C)CC3)cccc1[N+](=O)[O-] ZINC000425042975 850886807 /nfs/dbraw/zinc/88/68/07/850886807.db2.gz QJCVXTFMFUVYBE-UHFFFAOYSA-N 0 1 389.481 3.502 20 5 GHBDMN CC(C)Cc1ccc(C(=O)C2CCN(CCn3cc([N+](=O)[O-])cn3)CC2)cc1 ZINC000174820963 850892759 /nfs/dbraw/zinc/89/27/59/850892759.db2.gz KOJYZWMEKVANGO-UHFFFAOYSA-N 0 1 384.480 3.585 20 5 GHBDMN Cc1ccc(CCN(CC(F)(F)F)C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])cc1 ZINC000434233909 850914295 /nfs/dbraw/zinc/91/42/95/850914295.db2.gz HKTVYXGXVMLNDG-UHFFFAOYSA-N 0 1 398.385 3.997 20 5 GHBDMN COc1ccc(CN(C)CCOc2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000515540504 851149889 /nfs/dbraw/zinc/14/98/89/851149889.db2.gz YZLOEXMWBJHEBM-UHFFFAOYSA-N 0 1 395.253 3.877 20 5 GHBDMN Cc1ccc(NC(=O)[C@H](c2ccccc2)N(C)CCCCCO)c([N+](=O)[O-])c1 ZINC000434665147 851454503 /nfs/dbraw/zinc/45/45/03/851454503.db2.gz MWSJINUSILWWPD-FQEVSTJZSA-N 0 1 385.464 3.677 20 5 GHBDMN O=C(Nc1cc[nH+]c(N2CCc3ccccc3C2)c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436532918 852023921 /nfs/dbraw/zinc/02/39/21/852023921.db2.gz YEWBIJBHKHWDEV-UHFFFAOYSA-N 0 1 390.399 3.510 20 5 GHBDMN CCC(=O)c1ccc(O)c(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)c1 ZINC000436642533 852151684 /nfs/dbraw/zinc/15/16/84/852151684.db2.gz BBBJGCXJTOKCSO-UHFFFAOYSA-N 0 1 380.303 3.747 20 5 GHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccccc2N2CCCCCC2)cc1 ZINC000517614504 852172801 /nfs/dbraw/zinc/17/28/01/852172801.db2.gz MXHMLBJQNYUCRB-UHFFFAOYSA-N 0 1 375.450 3.776 20 5 GHBDMN C[C@H](OC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1nc2ccc(Cl)cc2[nH]1 ZINC000732522313 862332485 /nfs/dbraw/zinc/33/24/85/862332485.db2.gz YUUIMSOSQLXUDT-QMMMGPOBSA-N 0 1 389.751 3.771 20 5 GHBDMN CCN(CCNC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)CCC(F)(F)F ZINC000425982394 852253315 /nfs/dbraw/zinc/25/33/15/852253315.db2.gz WNEGUYRSBFXPFC-CYBMUJFWSA-N 0 1 390.406 3.538 20 5 GHBDMN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCC(Oc3cnccn3)CC2)o1 ZINC000425982215 852253799 /nfs/dbraw/zinc/25/37/99/852253799.db2.gz QACBFMMSRQWSOE-UHFFFAOYSA-N 0 1 380.404 3.688 20 5 GHBDMN CN(CCNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)Cc1ccc(F)cc1 ZINC000437016649 852627701 /nfs/dbraw/zinc/62/77/01/852627701.db2.gz IUQWYEWZROUJNW-UHFFFAOYSA-N 0 1 399.344 3.615 20 5 GHBDMN COc1cc(CN2CCC(C(=O)Nc3cccc(F)c3)CC2)ccc1[N+](=O)[O-] ZINC000489963557 852678342 /nfs/dbraw/zinc/67/83/42/852678342.db2.gz FFHCTKCVBCNQGK-UHFFFAOYSA-N 0 1 387.411 3.593 20 5 GHBDMN O=C(N[C@@H](COc1ccccc1)c1ccccc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000507277764 852746727 /nfs/dbraw/zinc/74/67/27/852746727.db2.gz GVCKCDVXMXZIBX-FQEVSTJZSA-N 0 1 378.384 3.851 20 5 GHBDMN COc1ccccc1[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000506330507 852751404 /nfs/dbraw/zinc/75/14/04/852751404.db2.gz KGBRPYUSSWHVFN-HXUWFJFHSA-N 0 1 378.384 3.828 20 5 GHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000507318819 852787866 /nfs/dbraw/zinc/78/78/66/852787866.db2.gz ZQVLNTRRJZGZQE-QGZVFWFLSA-N 0 1 394.387 3.718 20 5 GHBDMN C[C@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])c1cc(Cl)ccc1Cl ZINC000426127898 852795783 /nfs/dbraw/zinc/79/57/83/852795783.db2.gz JZMWKBNQKMCCEF-AAEUAGOBSA-N 0 1 385.247 3.992 20 5 GHBDMN O=C(N[C@@H](Cc1nc[nH]n1)c1ccccc1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000506389957 852941708 /nfs/dbraw/zinc/94/17/08/852941708.db2.gz UCMLETHHIADGKZ-HNNXBMFYSA-N 0 1 393.428 3.641 20 5 GHBDMN CCn1c(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc2ccccc21 ZINC000490361740 852981145 /nfs/dbraw/zinc/98/11/45/852981145.db2.gz GAUMLUAUXGOEKI-UHFFFAOYSA-N 0 1 376.376 3.607 20 5 GHBDMN CN1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)[C@H]1c1ccccc1 ZINC000491114727 853444012 /nfs/dbraw/zinc/44/40/12/853444012.db2.gz BEKRIKUXUBVBME-DLBZAZTESA-N 0 1 393.365 3.789 20 5 GHBDMN CCOc1ccc([N+](=O)[O-])c(-c2nc(Cc3nc4cccc(C)c4[nH]3)no2)c1 ZINC000517201393 853510978 /nfs/dbraw/zinc/51/09/78/853510978.db2.gz GJWMWUOBILVHSR-UHFFFAOYSA-N 0 1 379.376 3.819 20 5 GHBDMN Cc1c(C[N@H+]2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)cccc1[N+](=O)[O-] ZINC000571293754 853831595 /nfs/dbraw/zinc/83/15/95/853831595.db2.gz JKFNCXMPOSDPAJ-DYESRHJHSA-N 0 1 382.464 3.792 20 5 GHBDMN Cc1cc(N2CC[NH+]=C2[O-])ccc1NCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000441331162 854119023 /nfs/dbraw/zinc/11/90/23/854119023.db2.gz GUFNZWZGESWTSC-UHFFFAOYSA-N 0 1 392.362 3.646 20 5 GHBDMN CCO[C@@H]1C[C@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)[C@H]1n1cccn1 ZINC000550327652 854207123 /nfs/dbraw/zinc/20/71/23/854207123.db2.gz ZTNDFXMSDBKNBL-PWIZWCRZSA-N 0 1 382.420 3.560 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc2ccccc2cc1NS(C)(=O)=O ZINC000732881098 862570545 /nfs/dbraw/zinc/57/05/45/862570545.db2.gz UNHNRZDKJNAEPK-UHFFFAOYSA-N 0 1 399.428 3.680 20 5 GHBDMN O=C(NC[C@@H](c1cccs1)N1CCCC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000056203889 854547972 /nfs/dbraw/zinc/54/79/72/854547972.db2.gz JIPDMMWBUOATKV-INIZCTEOSA-N 0 1 384.461 3.705 20 5 GHBDMN O=C(Nc1ccccc1)[C@H](NCCOc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000165172840 854746440 /nfs/dbraw/zinc/74/64/40/854746440.db2.gz CBVXEGZWSVOEHE-OAQYLSRUSA-N 0 1 391.427 3.943 20 5 GHBDMN CC(=O)c1cc(NCCCCN2CCN(c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000553298646 854949307 /nfs/dbraw/zinc/94/93/07/854949307.db2.gz FWASPNZMBQQMLH-UHFFFAOYSA-N 0 1 396.491 3.812 20 5 GHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCn2cccc2[C@@H]1c1ccccc1 ZINC000057259198 855314157 /nfs/dbraw/zinc/31/41/57/855314157.db2.gz MUOOFPOXWOUBNO-FQEVSTJZSA-N 0 1 387.399 3.518 20 5 GHBDMN COc1ccc(-c2cc(C(=O)Nc3c(C)ccc([N+](=O)[O-])c3C)[nH]n2)cc1OC ZINC000590549437 855472459 /nfs/dbraw/zinc/47/24/59/855472459.db2.gz FYEGJRSRAVXHAS-UHFFFAOYSA-N 0 1 396.403 3.871 20 5 GHBDMN Cn1ccnc1[C@@H](NC1CCC(OC(F)F)CC1)c1cccc([N+](=O)[O-])c1 ZINC000590662467 855538358 /nfs/dbraw/zinc/53/83/58/855538358.db2.gz TVRWOBIVRZQIAE-BCLQGDPASA-N 0 1 380.395 3.558 20 5 GHBDMN O=C(Nc1ccc([N+](=O)[O-])cc1F)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000542718670 855539958 /nfs/dbraw/zinc/53/99/58/855539958.db2.gz CTDZDQIPGYGLIB-UHFFFAOYSA-N 0 1 390.390 3.659 20 5 GHBDMN CCO[C@@H]1C[C@@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@@]12CCCO2 ZINC000273599885 855765509 /nfs/dbraw/zinc/76/55/09/855765509.db2.gz LSMZVKYSQWKSEZ-LMMKCTJWSA-N 0 1 389.477 3.535 20 5 GHBDMN C[C@@H](c1ccccc1Cl)[NH+]1CCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CC1 ZINC000554452444 855913482 /nfs/dbraw/zinc/91/34/82/855913482.db2.gz OOSIGYFONVLCHZ-ZDUSSCGKSA-N 0 1 389.839 3.830 20 5 GHBDMN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](c1cccc(F)c1)N(C)C ZINC000057498199 855927937 /nfs/dbraw/zinc/92/79/37/855927937.db2.gz UKUBFRSJGDUANK-FZKQIMNGSA-N 0 1 391.468 3.634 20 5 GHBDMN O=C(CCc1cccc([N+](=O)[O-])c1)Nc1nc(-c2cc3ccccc3o2)n[nH]1 ZINC000485131911 856131947 /nfs/dbraw/zinc/13/19/47/856131947.db2.gz NXXACQXOWSJHPH-UHFFFAOYSA-N 0 1 377.360 3.697 20 5 GHBDMN COc1ccc(CN(CC(=O)Nc2ccccc2[N+](=O)[O-])[C@H](C)C2CC2)cc1 ZINC000053097734 856421966 /nfs/dbraw/zinc/42/19/66/856421966.db2.gz JDYFQGNGPBUPGV-OAHLLOKOSA-N 0 1 383.448 3.843 20 5 GHBDMN CC(C)c1ccc(C[N@H+]2CC[C@H](c3ncc(C(=O)[O-])s3)C2)cc1[N+](=O)[O-] ZINC000905751304 856506991 /nfs/dbraw/zinc/50/69/91/856506991.db2.gz VDEADGCBDMNPBO-ZDUSSCGKSA-N 0 1 375.450 3.862 20 5 GHBDMN CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000281086741 862842418 /nfs/dbraw/zinc/84/24/18/862842418.db2.gz DLZUBZXBTLDUFO-OAHLLOKOSA-N 0 1 389.477 3.622 20 5 GHBDMN O=C(Nc1ccc(-c2cn3c(n2)CCCC3)cc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000427936838 856887808 /nfs/dbraw/zinc/88/78/08/856887808.db2.gz FMECCMALBDXUNT-UHFFFAOYSA-N 0 1 378.388 3.753 20 5 GHBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C(=O)C2CCC2)cc1 ZINC000486098782 857426928 /nfs/dbraw/zinc/42/69/28/857426928.db2.gz SJUMBFNTTYOVEY-UHFFFAOYSA-N 0 1 388.445 3.941 20 5 GHBDMN CCOC(=O)CC[C@H]1CCCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000121006141 857633164 /nfs/dbraw/zinc/63/31/64/857633164.db2.gz YCNDFONXEZGRLN-OAHLLOKOSA-N 0 1 387.436 3.805 20 5 GHBDMN C[C@@]1(Cc2ccccc2F)CCCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000592681832 858027767 /nfs/dbraw/zinc/02/77/67/858027767.db2.gz UKYZEDUZKAKEPS-FQEVSTJZSA-N 0 1 382.395 3.848 20 5 GHBDMN CCN(C)[C@H](C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccccc1 ZINC000486733987 858037211 /nfs/dbraw/zinc/03/72/11/858037211.db2.gz TZIMNLDINHDRQC-KRWDZBQOSA-N 0 1 395.381 3.923 20 5 GHBDMN Cc1c(Br)cccc1CNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000594509804 858204318 /nfs/dbraw/zinc/20/43/18/858204318.db2.gz HLNYAUNTOXNLBE-UHFFFAOYSA-N 0 1 393.237 3.727 20 5 GHBDMN O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]Cc2nnc([C@@H]3CCCO3)[n-]2)s1 ZINC000594509364 858205406 /nfs/dbraw/zinc/20/54/06/858205406.db2.gz DUCZZZJZXDMKEO-HNNXBMFYSA-N 0 1 385.449 3.583 20 5 GHBDMN CO[C@@H](c1ccccc1Cl)[C@H](C)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000482799428 858863186 /nfs/dbraw/zinc/86/31/86/858863186.db2.gz DIVVDUBNJBAKDB-DYZYQPBXSA-N 0 1 388.811 3.631 20 5 GHBDMN Cc1ccc(CN2CCSCC2)cc1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000172922741 858984181 /nfs/dbraw/zinc/98/41/81/858984181.db2.gz PDBWYRNUUOAWEX-UHFFFAOYSA-N 0 1 385.489 3.633 20 5 GHBDMN COc1ccc(C[C@H](C)NCc2ncc(Br)s2)c([N+](=O)[O-])c1 ZINC001170328866 881367888 /nfs/dbraw/zinc/36/78/88/881367888.db2.gz WUDRCWMKXLRQTK-VIFPVBQESA-N 0 1 386.271 3.543 20 5 GHBDMN O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1cc([N+](=O)[O-])ccc1Br ZINC000923230824 859146837 /nfs/dbraw/zinc/14/68/37/859146837.db2.gz KXXOMQSUYHVFOV-KMUNFCNLSA-N 0 1 383.242 3.575 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000499722622 859287055 /nfs/dbraw/zinc/28/70/55/859287055.db2.gz BFNISHBRKJIRMP-AWEZNQCLSA-N 0 1 383.448 3.772 20 5 GHBDMN COc1ccc(C[C@H]2CCCCN2C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)cc1 ZINC000593307459 859369873 /nfs/dbraw/zinc/36/98/73/859369873.db2.gz NDEVTWFZQDJFKM-OAHLLOKOSA-N 0 1 394.431 3.717 20 5 GHBDMN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000597603859 859663347 /nfs/dbraw/zinc/66/33/47/859663347.db2.gz FTTCFEGKZPQSHI-PWIZWCRZSA-N 0 1 398.463 3.531 20 5 GHBDMN Cc1c([C@H](C)N[C@@H](Cc2ccccc2)C(=O)N2CCCC2)cccc1[N+](=O)[O-] ZINC000131058751 859819708 /nfs/dbraw/zinc/81/97/08/859819708.db2.gz AJLDWDOVMODKHJ-PXNSSMCTSA-N 0 1 381.476 3.788 20 5 GHBDMN Cc1ccc(NC(=O)[C@H]2CCCN(C/C=C/c3ccccc3[N+](=O)[O-])C2)nc1 ZINC000092004112 859973208 /nfs/dbraw/zinc/97/32/08/859973208.db2.gz UUOQXBCITJSQKK-UKTKYZJWSA-N 0 1 380.448 3.662 20 5 GHBDMN CNC(=O)c1ccc(CN(C)Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000121166265 860015754 /nfs/dbraw/zinc/01/57/54/860015754.db2.gz WMKIUXOZBQENPN-UHFFFAOYSA-N 0 1 379.416 3.846 20 5 GHBDMN CCN(Cc1ccccc1Br)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000499877067 860088650 /nfs/dbraw/zinc/08/86/50/860088650.db2.gz SZHLOEYPQQQCLX-UHFFFAOYSA-N 0 1 379.210 3.725 20 5 GHBDMN O=[N+]([O-])c1ccc(N2CCC(N[C@H](c3nccs3)c3ccccc3)CC2)cn1 ZINC000602533189 860101335 /nfs/dbraw/zinc/10/13/35/860101335.db2.gz LTZUADWHOFKVQQ-IBGZPJMESA-N 0 1 395.488 3.794 20 5 GHBDMN CC[C@@H](C)c1nc([C@H](C)NCc2cc(Br)c([N+](=O)[O-])s2)n[nH]1 ZINC000602632375 860184441 /nfs/dbraw/zinc/18/44/41/860184441.db2.gz SRQFDJQMWMZOIG-SFYZADRCSA-N 0 1 388.291 3.901 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000093928948 860376843 /nfs/dbraw/zinc/37/68/43/860376843.db2.gz NEFZWHQMKLTQJH-UHFFFAOYSA-N 0 1 378.303 3.862 20 5 GHBDMN COc1cc(NCc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)ccc1[N+](=O)[O-] ZINC000301332223 860455332 /nfs/dbraw/zinc/45/53/32/860455332.db2.gz BMPNFJCDCOMLGS-IYBDPMFKSA-N 0 1 385.464 3.825 20 5 GHBDMN CC(C)[C@@]1(CO)CCCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000552407846 860523583 /nfs/dbraw/zinc/52/35/83/860523583.db2.gz HDGBCKRHAFWAPI-IBGZPJMESA-N 0 1 375.494 3.949 20 5 GHBDMN O=[N+]([O-])c1sc(CNC[C@H]2CC[C@H](C(F)(F)F)O2)cc1Br ZINC000896281697 860604211 /nfs/dbraw/zinc/60/42/11/860604211.db2.gz YZMMUQKSIYXGNK-HZGVNTEJSA-N 0 1 389.193 3.618 20 5 GHBDMN C[C@@H]1C[C@H]1c1ccc(CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C2CC2)o1 ZINC000603603838 860891368 /nfs/dbraw/zinc/89/13/68/860891368.db2.gz XQFRAYFBADYYPR-CFLQYTFWSA-N 0 1 386.448 3.716 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H](C)c1ccc(Br)cc1 ZINC000192851898 860909773 /nfs/dbraw/zinc/90/97/73/860909773.db2.gz RDQBAEQUVQMGEQ-LBPRGKRZSA-N 0 1 392.253 3.955 20 5 GHBDMN O=[N+]([O-])c1ccc(O)cc1CN[C@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000555462602 860959148 /nfs/dbraw/zinc/95/91/48/860959148.db2.gz SHRXIFQCUZCJTD-CQSZACIVSA-N 0 1 390.745 3.796 20 5 GHBDMN O=C(CNCc1ccc(-c2ccccc2[N+](=O)[O-])s1)NCCc1ccccc1 ZINC000237948822 881605517 /nfs/dbraw/zinc/60/55/17/881605517.db2.gz DKWHATKUPOHWIS-UHFFFAOYSA-N 0 1 395.484 3.772 20 5 GHBDMN O=C([O-])C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1ccc(C(F)(F)F)cc1 ZINC000593744637 861137591 /nfs/dbraw/zinc/13/75/91/861137591.db2.gz SKOSBEBXXONKLN-UHFFFAOYSA-N 0 1 398.337 3.579 20 5 GHBDMN CO[C@@H](c1ccccc1Cl)[C@H](C)NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000481357652 861181074 /nfs/dbraw/zinc/18/10/74/861181074.db2.gz FVIAGXXRZUUOGB-KPZWWZAWSA-N 0 1 377.828 3.553 20 5 GHBDMN C[C@@H]1CCC[C@H](C)N1CCNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444004935 863132926 /nfs/dbraw/zinc/13/29/26/863132926.db2.gz TXFVMESGSYGDBA-GASCZTMLSA-N 0 1 395.478 3.813 20 5 GHBDMN CCO[C@@H]1C[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)[C@H]1OC ZINC000482511627 863241012 /nfs/dbraw/zinc/24/10/12/863241012.db2.gz NRDQGFUZHJTMEM-CGTJXYLNSA-N 0 1 380.828 3.790 20 5 GHBDMN CC[C@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)N1CCc2ccccc2C1 ZINC000522876173 863622923 /nfs/dbraw/zinc/62/29/23/863622923.db2.gz YGRYURDCGHWWPT-GOSISDBHSA-N 0 1 387.867 3.815 20 5 GHBDMN C[C@@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1nc2ccccc2s1 ZINC000734154516 864016223 /nfs/dbraw/zinc/01/62/23/864016223.db2.gz MMOMTOXWPJIEPK-SECBINFHSA-N 0 1 397.865 3.897 20 5 GHBDMN Cc1ccc(NC(=O)[C@H](N[C@H]2CCO[C@@H]2C2CC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000494436552 881722356 /nfs/dbraw/zinc/72/23/56/881722356.db2.gz LHCRXORXBHEEGD-CEWLAPEOSA-N 0 1 395.459 3.740 20 5 GHBDMN COC(=O)COc1ccc(CN2CCC[C@@H]2/C=C/c2ccccc2)cc1[N+](=O)[O-] ZINC000475103994 864203357 /nfs/dbraw/zinc/20/33/57/864203357.db2.gz OFINWXFQRCXKQV-SINXNMPMSA-N 0 1 396.443 3.824 20 5 GHBDMN CCOc1cccc([C@@H](C)N[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)c1 ZINC000063311700 864533461 /nfs/dbraw/zinc/53/34/61/864533461.db2.gz MUZMOUQSSWZMPR-ZIAGYGMSSA-N 0 1 387.436 3.680 20 5 GHBDMN Cc1cc(NC[C@@H](C(C)C)N2CC[NH+](C)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461720991 864630932 /nfs/dbraw/zinc/63/09/32/864630932.db2.gz VNHPWFJJGKOOKN-KRWDZBQOSA-N 0 1 388.434 3.606 20 5 GHBDMN COC(=O)c1csc(-c2cccc(CNCc3ccccc3[N+](=O)[O-])c2)n1 ZINC000480479092 864703535 /nfs/dbraw/zinc/70/35/35/864703535.db2.gz UDGWYGURYADBDY-UHFFFAOYSA-N 0 1 383.429 3.795 20 5 GHBDMN C[C@@H]1SCCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[C@H]1c1ccccc1 ZINC000609822573 864983825 /nfs/dbraw/zinc/98/38/25/864983825.db2.gz KQIKQZWFDYQXEF-KPZWWZAWSA-N 0 1 382.445 3.790 20 5 GHBDMN O=C(OC[C@H]1CCCN(Cc2cc(F)ccc2F)C1)c1cccc([N+](=O)[O-])c1 ZINC000735888420 865032742 /nfs/dbraw/zinc/03/27/42/865032742.db2.gz CKXRDXBOYNTPHP-AWEZNQCLSA-N 0 1 390.386 3.942 20 5 GHBDMN O=[N+]([O-])c1ccccc1/C=C\CN1CCC2(CC1)C[C@@H](O)c1ccccc1O2 ZINC000897267786 865037468 /nfs/dbraw/zinc/03/74/68/865037468.db2.gz PRKVMNRUWUOPNV-MWGFUINXSA-N 0 1 380.444 3.959 20 5 GHBDMN Cc1cc(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)cc2n[nH]cc21 ZINC000499268828 881843303 /nfs/dbraw/zinc/84/33/03/881843303.db2.gz UGDAXJLVDVZJLX-UHFFFAOYSA-N 0 1 380.813 3.542 20 5 GHBDMN CCC[C@H](NCc1n[nH]c(COc2ccccc2)n1)c1cccc([N+](=O)[O-])c1 ZINC000186430728 865336053 /nfs/dbraw/zinc/33/60/53/865336053.db2.gz CDJGHUIQDPMRDV-SFHVURJKSA-N 0 1 381.436 3.923 20 5 GHBDMN Cc1ccc(CN2CC[C@H](NCc3ccc(C(C)C)c([N+](=O)[O-])c3)C2=O)cc1 ZINC000480900811 865462901 /nfs/dbraw/zinc/46/29/01/865462901.db2.gz AQBDYWOVAUEBHC-FQEVSTJZSA-N 0 1 381.476 3.917 20 5 GHBDMN CC(C)c1nc2c([nH]1)CC[C@H](C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000476543876 881878445 /nfs/dbraw/zinc/87/84/45/881878445.db2.gz KAGYMNHUPXJZFD-ZDUSSCGKSA-N 0 1 390.871 3.559 20 5 GHBDMN Cc1c(Br)cccc1CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000534178596 866238191 /nfs/dbraw/zinc/23/81/91/866238191.db2.gz XOZVAVVPNDGBTE-AWEZNQCLSA-N 0 1 391.269 3.747 20 5 GHBDMN CCN1CCN(c2ccc(C(=O)O[C@H](C)c3cccc([N+](=O)[O-])c3)cc2)CC1 ZINC000741343974 866434292 /nfs/dbraw/zinc/43/42/92/866434292.db2.gz ZRCRUZBXLPXQIK-MRXNPFEDSA-N 0 1 383.448 3.655 20 5 GHBDMN NC(=O)C[C@H]1CCN(Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000367711450 866484588 /nfs/dbraw/zinc/48/45/88/866484588.db2.gz YEMVLDABPCFUMH-CQSZACIVSA-N 0 1 389.839 3.738 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2nc(CNCCc3cnc(C4CC4)nc3)cs2)c1 ZINC000534464084 866831903 /nfs/dbraw/zinc/83/19/03/866831903.db2.gz CKGXBWLGSHTAAU-UHFFFAOYSA-N 0 1 381.461 3.718 20 5 GHBDMN Cc1ccc(C[C@H]2CCCN2Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)cc1 ZINC000742149577 867104440 /nfs/dbraw/zinc/10/44/40/867104440.db2.gz MELYSNABSZCNJH-LJQANCHMSA-N 0 1 377.448 3.826 20 5 GHBDMN COc1ccc(-c2ccncc2)cc1CNCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000479572015 868101160 /nfs/dbraw/zinc/10/11/60/868101160.db2.gz ZGIRTAOXAAPPQK-UHFFFAOYSA-N 0 1 379.416 3.964 20 5 GHBDMN CO[C@@H](C)CN[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000190745643 882256910 /nfs/dbraw/zinc/25/69/10/882256910.db2.gz BFKKKJZIMHZDKC-YVEFUNNKSA-N 0 1 377.828 3.553 20 5 GHBDMN CS[C@H]1CCC[C@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000462336647 869270862 /nfs/dbraw/zinc/27/08/62/869270862.db2.gz BCXKZDHSESUDOF-UWVGGRQHSA-N 0 1 399.321 3.854 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCc1ccc(F)cc1 ZINC000462476449 869500561 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DTYVFJDNGSETQJ-SXLOBPIMSA-N 0 1 388.489 3.630 20 5 GHBDMN O=C(c1ccc([N+](=O)[O-])o1)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000461601007 870606449 /nfs/dbraw/zinc/60/64/49/870606449.db2.gz KFSUNLFBPJVOAG-UHFFFAOYSA-N 0 1 383.448 3.849 20 5 GHBDMN CC[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1ccc(C)c(F)c1 ZINC001168792288 870753580 /nfs/dbraw/zinc/75/35/80/870753580.db2.gz AJGBZEREDNDBBU-INIZCTEOSA-N 0 1 375.400 3.730 20 5 GHBDMN Cc1cc(F)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000446989356 870819663 /nfs/dbraw/zinc/81/96/63/870819663.db2.gz LYZZFXWQBQDQFS-UHFFFAOYSA-N 0 1 389.202 3.606 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000181349496 870886017 /nfs/dbraw/zinc/88/60/17/870886017.db2.gz GDUAZNJUZRDZQF-INIZCTEOSA-N 0 1 391.431 3.708 20 5 GHBDMN COC(=O)[C@@](C)(CNCc1ccc([N+](=O)[O-])cc1Cl)c1ccc(F)cc1 ZINC000447056313 870928209 /nfs/dbraw/zinc/92/82/09/870928209.db2.gz AEUPGTKAFONABB-SFHVURJKSA-N 0 1 380.803 3.608 20 5 GHBDMN 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O=C(Nc1ccc(OC(=O)c2cc([N+](=O)[O-])ccc2O)cc1)c1cccs1 ZINC000770464937 874698886 /nfs/dbraw/zinc/69/88/86/874698886.db2.gz CXOBMTDSSYYGCB-UHFFFAOYSA-N 0 1 384.369 3.833 20 5 GHBDMN CC(C)c1nc(CNCc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)n[nH]1 ZINC000449404903 874822238 /nfs/dbraw/zinc/82/22/38/874822238.db2.gz GKNPTEYYVSQAKL-UHFFFAOYSA-N 0 1 380.452 3.894 20 5 GHBDMN COc1cc(CN2C[C@@H](C3CC3)[C@@H]2C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000449545454 875010373 /nfs/dbraw/zinc/01/03/73/875010373.db2.gz YTGREWKOIFHKCM-LIRRHRJNSA-N 0 1 382.407 3.868 20 5 GHBDMN C[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccc(OCc2cccnc2)cc1 ZINC000542199081 875129601 /nfs/dbraw/zinc/12/96/01/875129601.db2.gz KYEVWGOFVJWAJB-AWEZNQCLSA-N 0 1 393.399 3.765 20 5 GHBDMN CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C[C@H]1CC=CCC1 ZINC000542252547 875226241 /nfs/dbraw/zinc/22/62/41/875226241.db2.gz JQJBLEIGZTXXHO-LBPRGKRZSA-N 0 1 382.258 3.584 20 5 GHBDMN O=C(NCCNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccc(F)cc1 ZINC000776042660 875257057 /nfs/dbraw/zinc/25/70/57/875257057.db2.gz ACRXMWCEQLCWHN-UHFFFAOYSA-N 0 1 383.379 3.514 20 5 GHBDMN CC(C)CN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C[C@@H](O)c1ccc(F)cc1 ZINC000776099634 875338194 /nfs/dbraw/zinc/33/81/94/875338194.db2.gz BJCVJWYOYSNDOQ-LJQANCHMSA-N 0 1 386.427 3.802 20 5 GHBDMN Cc1ccc([N+](=O)[O-])c(C)c1CNCc1cc2c(cc1OC(F)F)OCO2 ZINC001201415592 875677921 /nfs/dbraw/zinc/67/79/21/875677921.db2.gz FBIOOUWKGMGKGA-UHFFFAOYSA-N 0 1 380.347 3.832 20 5 GHBDMN Cc1ccc(CN[C@@H]2CCCN([C@@H](C)c3ccc(F)cc3)C2=O)cc1[N+](=O)[O-] ZINC000549910537 875852163 /nfs/dbraw/zinc/85/21/63/875852163.db2.gz GCUBYZVDYREBBB-HNAYVOBHSA-N 0 1 385.439 3.884 20 5 GHBDMN CN(CCNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000450046119 875885129 /nfs/dbraw/zinc/88/51/29/875885129.db2.gz RCWZNLCRUNOYLT-UHFFFAOYSA-N 0 1 399.344 3.615 20 5 GHBDMN O=[N+]([O-])c1ccc(Cl)c(CNC[C@@H](O)c2cccc(Br)c2)c1 ZINC000776246087 876023844 /nfs/dbraw/zinc/02/38/44/876023844.db2.gz PIKIWINCRVHPKY-OAHLLOKOSA-N 0 1 385.645 3.834 20 5 GHBDMN O=C(c1ccc(Cl)cc1)C1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776278381 876161699 /nfs/dbraw/zinc/16/16/99/876161699.db2.gz VDKWAEGVAXBFKU-LJQANCHMSA-N 0 1 388.851 3.877 20 5 GHBDMN Cc1c(NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)cnn1CCC(C)C ZINC000450309192 876247882 /nfs/dbraw/zinc/24/78/82/876247882.db2.gz RHFRVSUQARPNRI-UHFFFAOYSA-N 0 1 382.424 3.788 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000850429234 876912943 /nfs/dbraw/zinc/91/29/43/876912943.db2.gz WVCAZXZJTJKDMS-KGLIPLIRSA-N 0 1 385.420 3.972 20 5 GHBDMN Cc1sc(C(C)(C)NCCn2cc([N+](=O)[O-])cn2)nc1-c1ccccc1F ZINC000451162897 877495000 /nfs/dbraw/zinc/49/50/00/877495000.db2.gz BKRXHJASWJBEAX-UHFFFAOYSA-N 0 1 389.456 3.887 20 5 GHBDMN CC[C@H]1Oc2cc([C@@H](C)NCc3ccc([N+](=O)[O-])c(OC)c3)ccc2NC1=O ZINC000492757019 877519287 /nfs/dbraw/zinc/51/92/87/877519287.db2.gz NYUVZPHPQAEUPT-SJKOYZFVSA-N 0 1 385.420 3.564 20 5 GHBDMN O=C(Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000067990269 877737045 /nfs/dbraw/zinc/73/70/45/877737045.db2.gz GJHCBQSSKXHZTQ-MRXNPFEDSA-N 0 1 388.330 3.853 20 5 GHBDMN Cc1noc(CN2CCCC[C@H]2[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000852095198 878073821 /nfs/dbraw/zinc/07/38/21/878073821.db2.gz LLBYFPQIOAYKRR-CABCVRRESA-N 0 1 394.472 3.503 20 5 GHBDMN C[C@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc2c(c1)CCCO2 ZINC000852782483 878597906 /nfs/dbraw/zinc/59/79/06/878597906.db2.gz QUKVQDGTKDJIBP-LBPRGKRZSA-N 0 1 389.839 3.863 20 5 GHBDMN Cc1c(NC(=O)CCN(C)Cc2cc(F)c(F)c(F)c2)cccc1[N+](=O)[O-] ZINC000180490260 878931615 /nfs/dbraw/zinc/93/16/15/878931615.db2.gz RTOKTBMOGFSITH-UHFFFAOYSA-N 0 1 381.354 3.781 20 5 GHBDMN O=[N+]([O-])c1cn(CN(CCc2cccc(F)c2)C2CC2)nc1-c1ccccn1 ZINC000853495097 879061059 /nfs/dbraw/zinc/06/10/59/879061059.db2.gz JLORFTJBHFTTGA-UHFFFAOYSA-N 0 1 381.411 3.657 20 5 GHBDMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000026567283 879123831 /nfs/dbraw/zinc/12/38/31/879123831.db2.gz AFURRVZKVHDOSV-UHFFFAOYSA-N 0 1 388.855 3.561 20 5 GHBDMN CN(C[C@@H]1CCc2ccccc21)CN1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000853609763 879163576 /nfs/dbraw/zinc/16/35/76/879163576.db2.gz MGZJACMEBYACLP-GHTZIAJQSA-N 0 1 379.460 3.530 20 5 GHBDMN CCOc1cc(CN2CCC(CC(=O)NC3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000617196045 879499636 /nfs/dbraw/zinc/49/96/36/879499636.db2.gz DUCIJUNVAJIGLP-UHFFFAOYSA-N 0 1 389.496 3.654 20 5 GHBDMN Cc1ccc(C(=O)N2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)cc1[N+](=O)[O-] ZINC000152783938 879688286 /nfs/dbraw/zinc/68/82/86/879688286.db2.gz SEMLYDGQCUCADE-MRXNPFEDSA-N 0 1 377.404 3.666 20 5 GHBDMN Cc1ccc(C(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)cc1[N+](=O)[O-] ZINC000152783938 879688294 /nfs/dbraw/zinc/68/82/94/879688294.db2.gz SEMLYDGQCUCADE-MRXNPFEDSA-N 0 1 377.404 3.666 20 5 GHBDMN Cc1cccc(CN(Cc2cccc(C)n2)C(=O)c2cc(O)cc([N+](=O)[O-])c2)n1 ZINC000476894255 883345170 /nfs/dbraw/zinc/34/51/70/883345170.db2.gz VEHCXYYQPBBCMP-UHFFFAOYSA-N 0 1 392.415 3.550 20 5 GHBDMN Cc1ccc(Br)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000609661359 883500222 /nfs/dbraw/zinc/50/02/22/883500222.db2.gz GLKSMEHYUWLNHR-UHFFFAOYSA-N 0 1 385.239 3.775 20 5 GHBDMN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCc1cc(-c2ccccc2)on1 ZINC000154781222 884128487 /nfs/dbraw/zinc/12/84/87/884128487.db2.gz AQPYBQUWFHCZFU-CQSZACIVSA-N 0 1 380.404 3.757 20 5 GHBDMN O=[N+]([O-])c1cc(CN[C@@H](c2c[nH]nn2)c2ccc(F)cc2)cc(C(F)(F)F)c1 ZINC000556244035 884215231 /nfs/dbraw/zinc/21/52/31/884215231.db2.gz VLHRMPVEOCRTFX-MRXNPFEDSA-N 0 1 395.316 3.750 20 5 GHBDMN CCO[C@@H]1C[C@H](N[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)[C@H]1n1cccn1 ZINC000556262949 884275578 /nfs/dbraw/zinc/27/55/78/884275578.db2.gz CPTVNXFQRJKIJV-DXBBTUNJSA-N 0 1 392.459 3.889 20 5 GHBDMN O=C(c1cc([N+](=O)[O-])cc2ccccc21)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000860503375 884746108 /nfs/dbraw/zinc/74/61/08/884746108.db2.gz DANJEOGYQDGCQC-HNNXBMFYSA-N 0 1 391.431 3.763 20 5 GHBDMN Cc1cccc2nc(CNC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH]c21 ZINC000498602659 885008248 /nfs/dbraw/zinc/00/82/48/885008248.db2.gz RLPXJBKBYCHHQM-UHFFFAOYSA-N 0 1 378.310 3.728 20 5 GHBDMN CC(C)[C@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC001131028608 885646483 /nfs/dbraw/zinc/64/64/83/885646483.db2.gz ZURKILNTYSJDOJ-OAQYLSRUSA-N 0 1 381.476 3.506 20 5 GHBDMN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc(-c2cccs2)n[nH]1 ZINC000915259531 886174271 /nfs/dbraw/zinc/17/42/71/886174271.db2.gz UEISZXQYOJIRNF-SECBINFHSA-N 0 1 375.435 3.561 20 5 GHBDMN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc(-c2cccs2)n[nH]1 ZINC000915259532 886174612 /nfs/dbraw/zinc/17/46/12/886174612.db2.gz UEISZXQYOJIRNF-VIFPVBQESA-N 0 1 375.435 3.561 20 5 GHBDMN COc1ccc(CNCCOc2ccc([N+](=O)[O-])cc2)c(Br)c1 ZINC000556836097 886305178 /nfs/dbraw/zinc/30/51/78/886305178.db2.gz BXMDESHFNNXBEU-UHFFFAOYSA-N 0 1 381.226 3.535 20 5 GHBDMN COc1cc(C(=O)Nc2nc3cc(Cl)c(F)cc3[nH]2)c([N+](=O)[O-])cc1F ZINC001131314268 886420408 /nfs/dbraw/zinc/42/04/08/886420408.db2.gz NNYBQBSCDVBJIL-UHFFFAOYSA-N 0 1 382.710 3.664 20 5 GHBDMN CCOc1ccc2c(c1)c(=N)c1ccc(N)cc1n2C(=O)[C@H]1CCCC[C@H]1CO ZINC001184162819 913057611 /nfs/dbraw/zinc/05/76/11/913057611.db2.gz JTZWPZVXEHXAKG-YOEHRIQHSA-N 0 1 393.487 3.694 20 5 GHBDMN O=C(NC[C@H](c1ccco1)N1CCCCC1)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000536508428 886593391 /nfs/dbraw/zinc/59/33/91/886593391.db2.gz KJSSBOJLYBDIQF-QGZVFWFLSA-N 0 1 382.420 3.626 20 5 GHBDMN COC(=O)C[C@@H]1CSCCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000537616070 886654458 /nfs/dbraw/zinc/65/44/58/886654458.db2.gz UYFKGSGQGSHTQG-OAHLLOKOSA-N 0 1 392.502 3.804 20 5 GHBDMN COC(=O)c1cccc(NC2CCN(Cc3cccc([N+](=O)[O-])c3C)CC2)c1 ZINC000864038246 887528495 /nfs/dbraw/zinc/52/84/95/887528495.db2.gz LVZNMWNOAUYYSD-UHFFFAOYSA-N 0 1 383.448 3.766 20 5 GHBDMN Cc1ccc([C@H]2CCN(Cn3cc([N+](=O)[O-])c(-c4ccncc4)n3)C2)c(C)c1 ZINC000794662677 887708872 /nfs/dbraw/zinc/70/88/72/887708872.db2.gz LWYVMRBOHFHZTL-SFHVURJKSA-N 0 1 377.448 3.917 20 5 GHBDMN CCCC[C@](C)(F)C(=O)N(C)c1cc([N+](=O)[O-])cc(N2CCN(CC)CC2)c1 ZINC001132279834 888530416 /nfs/dbraw/zinc/53/04/16/888530416.db2.gz TYXJOUZTKGVFDB-FQEVSTJZSA-N 0 1 394.491 3.618 20 5 GHBDMN C[C@@H](CNCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)S(C)(=O)=O ZINC000532808763 888988540 /nfs/dbraw/zinc/98/85/40/888988540.db2.gz FKAADUZLMZBGGD-LBPRGKRZSA-N 0 1 398.868 3.563 20 5 GHBDMN O=C(Nc1nnc(Cc2ccccc2)s1)c1cc(F)c([N+](=O)[O-])cc1F ZINC000763373984 889002620 /nfs/dbraw/zinc/00/26/20/889002620.db2.gz OEXJLPKYVGKQAE-UHFFFAOYSA-N 0 1 376.344 3.568 20 5 GHBDMN CN(C)[C@H](CNc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])c1ccco1 ZINC000916641439 889267317 /nfs/dbraw/zinc/26/73/17/889267317.db2.gz HFDZIPCUKAAQKH-GFCCVEGCSA-N 0 1 388.302 3.830 20 5 GHBDMN CCN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H](C)[C@H](O)c1ccccc1 ZINC000812848560 891039969 /nfs/dbraw/zinc/03/99/69/891039969.db2.gz KWSQXPJXPKCNSQ-KUHUBIRLSA-N 0 1 382.420 3.589 20 5 GHBDMN COc1cc(CN[C@@H](C)c2ccccc2[N+](=O)[O-])cc(Br)c1O ZINC000873183800 891510361 /nfs/dbraw/zinc/51/03/61/891510361.db2.gz JLSQGLIDXQFYEQ-JTQLQIEISA-N 0 1 381.226 3.922 20 5 GHBDMN CN1CCN(c2ccc([N+](=O)[O-])c(NC(=O)/C(F)=C/C3CCCCC3)c2)CC1 ZINC001134200696 892467898 /nfs/dbraw/zinc/46/78/98/892467898.db2.gz UHUXSGHOOBVCSU-LGMDPLHJSA-N 0 1 390.459 3.719 20 5 GHBDMN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000154645751 893124178 /nfs/dbraw/zinc/12/41/78/893124178.db2.gz BNSZEAMVBLJGKX-HNNXBMFYSA-N 0 1 392.419 3.791 20 5 GHBDMN O=C(Nc1nc2cc(Br)c(F)cc2[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC001134804090 893323897 /nfs/dbraw/zinc/32/38/97/893323897.db2.gz PAZDJZHLLSALPU-UHFFFAOYSA-N 0 1 379.145 3.625 20 5 GHBDMN COc1cc(CN2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000459654367 893992729 /nfs/dbraw/zinc/99/27/29/893992729.db2.gz FKQFLEPWIKSVQK-INIZCTEOSA-N 0 1 388.386 3.784 20 5 GHBDMN Cc1cc(N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000563716098 894099421 /nfs/dbraw/zinc/09/94/21/894099421.db2.gz NHEQYOXMRUETDT-KRWDZBQOSA-N 0 1 383.448 3.702 20 5 GHBDMN Cc1ccc([C@H](C)NCC(=O)N(CC(C)C)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000537174059 894492592 /nfs/dbraw/zinc/49/25/92/894492592.db2.gz VFVMCBASBOIJQX-ZDUSSCGKSA-N 0 1 375.391 3.601 20 5 GHBDMN CC(C)CN(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C[C@H](O)c1ccc(F)cc1 ZINC000774882902 913882733 /nfs/dbraw/zinc/88/27/33/913882733.db2.gz FDVUTFZRMVDECH-IBGZPJMESA-N 0 1 391.399 3.834 20 5 GHBDMN C[C@@H]1CCc2nc(NC(=O)c3cc(-c4ccc([N+](=O)[O-])cc4)n[nH]3)sc2C1 ZINC001135683903 895049798 /nfs/dbraw/zinc/04/97/98/895049798.db2.gz MEKJLCLTKIUNNK-SNVBAGLBSA-N 0 1 383.433 3.819 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2oc(CN3CCCC3)nc2c1 ZINC000816766476 895059950 /nfs/dbraw/zinc/05/99/50/895059950.db2.gz XWSNWISTIUBICX-UHFFFAOYSA-N 0 1 380.404 3.893 20 5 GHBDMN CSc1cccc(F)c1CN[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000566015867 896050022 /nfs/dbraw/zinc/05/00/22/896050022.db2.gz RMUHXWIROHGSQW-LBPRGKRZSA-N 0 1 377.441 3.963 20 5 GHBDMN C[C@@H](C(=O)Nc1nc2c(s1)CN(C(C)(C)C)CC2)c1cccc([N+](=O)[O-])c1 ZINC000566851312 896634111 /nfs/dbraw/zinc/63/41/11/896634111.db2.gz BBDPQGCTLSSYGC-GFCCVEGCSA-N 0 1 388.493 3.950 20 5 GHBDMN CC(C)(CO)[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1cccs1 ZINC000289362726 914160154 /nfs/dbraw/zinc/16/01/54/914160154.db2.gz OKBPWICLWPCIQE-MRXNPFEDSA-N 0 1 397.884 3.598 20 5 GHBDMN CN1CC[C@@H](NCc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H]1c1ccc(F)c(F)c1 ZINC000289410285 914174998 /nfs/dbraw/zinc/17/49/98/914174998.db2.gz PFSWJJQFGNQGOK-BEFAXECRSA-N 0 1 388.374 3.549 20 5 GHBDMN Cc1cc(S(=O)(=O)Nc2ccc3nc(Cl)sc3c2)ccc1[N+](=O)[O-] ZINC000821096245 897741225 /nfs/dbraw/zinc/74/12/25/897741225.db2.gz GMKKVFYONRKIRV-UHFFFAOYSA-N 0 1 383.838 3.967 20 5 GHBDMN O=C(N[C@@H]1CCC[C@H](c2nc3ccccc3[nH]2)C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000569461190 898684107 /nfs/dbraw/zinc/68/41/07/898684107.db2.gz VOAWSXHXINVHDV-GXTWGEPZSA-N 0 1 380.404 3.633 20 5 GHBDMN O=C(CCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCCCCC1 ZINC000113331469 898985081 /nfs/dbraw/zinc/98/50/81/898985081.db2.gz UZKJJLMGWYZVKB-UHFFFAOYSA-N 0 1 388.493 3.601 20 5 GHBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)C[C@](C)(O)c1ccccc1 ZINC000823598252 899121752 /nfs/dbraw/zinc/12/17/52/899121752.db2.gz GUHYDBZXWRUSRI-VLIAUNLRSA-N 0 1 382.420 3.545 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2ccc(CN3CC[C@H](C(F)(F)F)[C@@H](CO)C3)o2)cc1 ZINC000289771680 914339546 /nfs/dbraw/zinc/33/95/46/914339546.db2.gz RIAJGPCYESSCEM-CJNGLKHVSA-N 0 1 384.354 3.848 20 5 GHBDMN CN(C)c1nc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2[nH]1 ZINC000570616201 899444381 /nfs/dbraw/zinc/44/43/81/899444381.db2.gz YZQUWKRTCMJDDX-UHFFFAOYSA-N 0 1 393.325 3.808 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2ccc(CN3CC[C@@H](C(F)(F)F)[C@@H](CO)C3)o2)c1 ZINC000289828531 914369288 /nfs/dbraw/zinc/36/92/88/914369288.db2.gz UFKZZUXBQDIBDK-CZUORRHYSA-N 0 1 384.354 3.848 20 5 GHBDMN CCOC(=O)c1c(C2CC2)csc1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC001143761958 900486265 /nfs/dbraw/zinc/48/62/65/900486265.db2.gz AXWFSQIAYZCTPS-UHFFFAOYSA-N 0 1 376.390 3.668 20 5 GHBDMN Cc1cc(NCC(C)(C)[N@H+]2CCc3ccccc3C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000844208026 900600422 /nfs/dbraw/zinc/60/04/22/900600422.db2.gz MABYGNUKQIEYLS-UHFFFAOYSA-N 0 1 383.448 3.850 20 5 GHBDMN Cc1cc(CNc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])cc(N2CCCC2)[nH+]1 ZINC000844215143 900610086 /nfs/dbraw/zinc/61/00/86/900610086.db2.gz YYNWYEPNDINNHW-FNORWQNLSA-N 0 1 382.420 3.608 20 5 GHBDMN COc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c(C(F)(F)F)c1 ZINC000577093600 902497528 /nfs/dbraw/zinc/49/75/28/902497528.db2.gz VEHLCXFGKHAAOT-UHFFFAOYSA-N 0 1 390.339 3.731 20 5 GHBDMN O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000263913961 902677204 /nfs/dbraw/zinc/67/72/04/902677204.db2.gz WRAMQWJNCANTMS-UHFFFAOYSA-N 0 1 395.394 3.539 20 5 GHBDMN CC[C@H](NCc1cccc(NC(=O)[C@H]2CCCO2)c1)c1cccc([N+](=O)[O-])c1 ZINC000153421068 904361482 /nfs/dbraw/zinc/36/14/82/904361482.db2.gz FOONXSGIUROMEX-VQTJNVASSA-N 0 1 383.448 3.953 20 5 GHBDMN C[C@@]1(CNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CCC[N@H+]1Cc1ccccc1 ZINC000579597681 904727857 /nfs/dbraw/zinc/72/78/57/904727857.db2.gz ZJUSRVAIZBGXEP-NRFANRHFSA-N 0 1 383.448 3.689 20 5 GHBDMN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)NC1(c2ccc(Br)cc2)COC1 ZINC001173218955 906295687 /nfs/dbraw/zinc/29/56/87/906295687.db2.gz UNGQVQORWCKCEO-ZDUSSCGKSA-N 0 1 391.265 3.804 20 5 GHBDMN C[C@@H](NC(=O)NC1CCN([C@H](C)c2ccncc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000178795621 906384629 /nfs/dbraw/zinc/38/46/29/906384629.db2.gz JLVTWVZZJYGQCF-HZPDHXFCSA-N 0 1 397.479 3.576 20 5 GHBDMN O=C(Cc1cccc([N+](=O)[O-])c1)OCc1nc2ccc(Br)cc2[nH]1 ZINC000777352613 906644736 /nfs/dbraw/zinc/64/47/36/906644736.db2.gz IKOQCBYWEFYZDY-UHFFFAOYSA-N 0 1 390.193 3.520 20 5 GHBDMN COc1cc(C(=O)NC[C@H](c2cccs2)N2CCCC2)cc([N+](=O)[O-])c1C ZINC000191304518 906862045 /nfs/dbraw/zinc/86/20/45/906862045.db2.gz DJSOLLJZSJHRCW-MRXNPFEDSA-N 0 1 389.477 3.540 20 5 GHBDMN C[C@H](C(=O)OCc1ccc(Br)c([N+](=O)[O-])c1)N1[C@H](C)CC[C@H]1C ZINC000773440369 907357499 /nfs/dbraw/zinc/35/74/99/907357499.db2.gz KEHHHVGLWVJOAF-IJLUTSLNSA-N 0 1 385.258 3.662 20 5 GHBDMN C[C@@H](N[C@@H](C)C(=O)Nc1ccc(-c2c[nH]cn2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC001176030033 907893126 /nfs/dbraw/zinc/89/31/26/907893126.db2.gz YFADRPFSQIXPDR-KGLIPLIRSA-N 0 1 379.420 3.663 20 5 GHBDMN C[C@@H]1CN(Cc2ccc(F)cc2[N+](=O)[O-])CC[C@@H]1CNC(=O)OC(C)(C)C ZINC001176698976 908215618 /nfs/dbraw/zinc/21/56/18/908215618.db2.gz DNWTURMCDIOTKW-ZIAGYGMSSA-N 0 1 381.448 3.717 20 5 GHBDMN CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)c2ccccc21 ZINC000773841246 910007089 /nfs/dbraw/zinc/00/70/89/910007089.db2.gz GGDZHKHZKXMMNS-UHFFFAOYSA-N 0 1 399.403 3.702 20 5 GHBDMN COc1c(O)ccc(CN2CCC(c3c[nH]c4ncccc34)CC2)c1[N+](=O)[O-] ZINC001180238854 910040709 /nfs/dbraw/zinc/04/07/09/910040709.db2.gz DMLQHXFLTUOXMG-UHFFFAOYSA-N 0 1 382.420 3.565 20 5 GHBDMN CC(C)(C)OC(=O)N1CCC[C@](C)(CN2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001180267078 910055101 /nfs/dbraw/zinc/05/51/01/910055101.db2.gz NLYBCWHQMDDZNO-OAQYLSRUSA-N 0 1 389.496 3.990 20 5 GHBDMN CCN(CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O)[C@@H](C)C(C)C ZINC000795411835 910256440 /nfs/dbraw/zinc/25/64/40/910256440.db2.gz COSXEWPCECXHCR-NSHDSACASA-N 0 1 384.274 3.637 20 5 GHBDMN C[C@H](CNC(=O)OC(C)(C)C)NCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001181101761 910534810 /nfs/dbraw/zinc/53/48/10/910534810.db2.gz FOQJFPFKEIJDNP-SNVBAGLBSA-N 0 1 377.363 3.616 20 5 GHBDMN C[C@H](NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1OCCc2sccc21 ZINC000795481903 910610053 /nfs/dbraw/zinc/61/00/53/910610053.db2.gz JTXNUTAQQDSGFG-DYZYQPBXSA-N 0 1 395.868 3.540 20 5 GHBDMN COc1c(O)ccc(CN2CCC[C@H](N(C)c3ccc(C)cc3)C2)c1[N+](=O)[O-] ZINC001181515364 910838487 /nfs/dbraw/zinc/83/84/87/910838487.db2.gz TZCSAWIEBKVHHC-SFHVURJKSA-N 0 1 385.464 3.718 20 5 GHBDMN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2NCc2cc([N+](=O)[O-])ccc2Cl)n1 ZINC000774259287 911579648 /nfs/dbraw/zinc/57/96/48/911579648.db2.gz HTHFOGYNVADKJM-LSDHHAIUSA-N 0 1 379.804 3.626 20 5 GHBDMN CC(C)(CCc1noc([C@H]2CN(Cc3ccccc3)CCC2(F)F)n1)[N+](=O)[O-] ZINC000291076024 914959515 /nfs/dbraw/zinc/95/95/15/914959515.db2.gz MNXGPOIPZBAWBR-OAHLLOKOSA-N 0 1 394.422 3.682 20 5 GHBDMN CC[C@@H](c1ccccc1)N1CCN(CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CC1 ZINC001191245602 917877633 /nfs/dbraw/zinc/87/76/33/917877633.db2.gz UILHNJPZTDCECE-IBGZPJMESA-N 0 1 396.491 3.611 20 5 GHBDMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296252415 918054678 /nfs/dbraw/zinc/05/46/78/918054678.db2.gz LBYHSJJPAJDZCY-INIZCTEOSA-N 0 1 397.479 3.538 20 5 GHBDMN COc1ccccc1[C@@H](CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCCC1 ZINC000015128558 919364496 /nfs/dbraw/zinc/36/44/96/919364496.db2.gz IMLRNIJBYPXUQG-GOSISDBHSA-N 0 1 386.408 3.761 20 5 GHBDMN CC(C)c1nnc(-c2ccccc2NC(=O)COc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000364483907 919509297 /nfs/dbraw/zinc/50/92/97/919509297.db2.gz OZJKUUVLGOSAHF-UHFFFAOYSA-N 0 1 381.392 3.521 20 5 GHBDMN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000801524068 921094879 /nfs/dbraw/zinc/09/48/79/921094879.db2.gz NYHWTTBSRPLYIP-ZFWWWQNUSA-N 0 1 381.448 3.859 20 5 GHBDMN C[C@@H](CNCc1c(Cl)cccc1S(C)(=O)=O)c1ccccc1[N+](=O)[O-] ZINC000902673768 922389022 /nfs/dbraw/zinc/38/90/22/922389022.db2.gz HXXVFFXABVEGTH-LBPRGKRZSA-N 0 1 382.869 3.545 20 5 GHBDMN COc1cc([C@@H](C)NCc2ccc(C)cc2N2CCOCC2)cc([N+](=O)[O-])c1 ZINC000903109493 922779563 /nfs/dbraw/zinc/77/95/63/922779563.db2.gz GTHABLMJQBNSJI-MRXNPFEDSA-N 0 1 385.464 3.599 20 5 GHBDMN C[C@@H](C(=O)Nc1ccc2ccccc2c1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000370060807 923835586 /nfs/dbraw/zinc/83/55/86/923835586.db2.gz QTHOGBFFGSWDHF-HNNXBMFYSA-N 0 1 393.447 3.609 20 5 GHBDMN O=[N+]([O-])c1cccc(NS(=O)(=O)c2ccc(Cl)cc2Br)c1 ZINC000410351105 925564178 /nfs/dbraw/zinc/56/41/78/925564178.db2.gz DIHYJCWXQDPXFI-UHFFFAOYSA-N 0 1 391.630 3.812 20 5 GHBDMN O=C(Nc1cccc(-c2nnc[nH]2)c1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000373108655 925865300 /nfs/dbraw/zinc/86/53/00/925865300.db2.gz CSMRYXVIZDNPKG-UHFFFAOYSA-N 0 1 381.395 3.719 20 5 GHBDMN CN(C(=O)CSc1n[nH]c(CCC2CCCC2)n1)c1ccc([N+](=O)[O-])cc1 ZINC000012105069 925996415 /nfs/dbraw/zinc/99/64/15/925996415.db2.gz AXUAEZXFHVUXAD-UHFFFAOYSA-N 0 1 389.481 3.591 20 5 GHBDMN CN(C(=O)CSc1nc(CCC2CCCC2)n[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000012105069 925996423 /nfs/dbraw/zinc/99/64/23/925996423.db2.gz AXUAEZXFHVUXAD-UHFFFAOYSA-N 0 1 389.481 3.591 20 5 GHBDMN C[C@H](Sc1n[nH]c(CCC2CCCC2)n1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000012104532 925996885 /nfs/dbraw/zinc/99/68/85/925996885.db2.gz REBSDQSSCVMCNA-LBPRGKRZSA-N 0 1 389.481 3.955 20 5 GHBDMN C[C@H](Sc1nc(CCC2CCCC2)n[nH]1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000012104532 925996893 /nfs/dbraw/zinc/99/68/93/925996893.db2.gz REBSDQSSCVMCNA-LBPRGKRZSA-N 0 1 389.481 3.955 20 5 GHBDMN CC1(C)C[C@@H](C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)c2ccccc2O1 ZINC000411997309 926976591 /nfs/dbraw/zinc/97/65/91/926976591.db2.gz IEUVKOPPKDOQML-OAHLLOKOSA-N 0 1 393.403 3.663 20 5 GHBDMN CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000374788166 927523668 /nfs/dbraw/zinc/52/36/68/927523668.db2.gz MKTLDEHGBQSMSH-MRXNPFEDSA-N 0 1 385.468 3.779 20 5 GHBDMN Cc1cc(S(=O)(=O)Nc2ccc3[nH]c(C4CCC4)nc3c2)ccc1[N+](=O)[O-] ZINC000467429577 929062606 /nfs/dbraw/zinc/06/26/06/929062606.db2.gz YKBMHKCJCWTIKG-UHFFFAOYSA-N 0 1 386.433 3.848 20 5 GHBDMN Cc1cc(Cl)c(S(=O)(=O)Nc2cccc(OC(F)F)c2)cc1[N+](=O)[O-] ZINC000753065297 929187547 /nfs/dbraw/zinc/18/75/47/929187547.db2.gz FHNJLHXMYBFABK-UHFFFAOYSA-N 0 1 392.767 3.959 20 5 GHBDMN O=C(CCN(Cc1ccccc1F)C1CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000753915965 929590615 /nfs/dbraw/zinc/59/06/15/929590615.db2.gz UABYTZPSLXZZEH-UHFFFAOYSA-N 0 1 375.375 3.866 20 5 GHBDMN CC[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CCN1Cc1ccccc1 ZINC000546103720 929855448 /nfs/dbraw/zinc/85/54/48/929855448.db2.gz BPCMWBDLKZKZMP-QGZVFWFLSA-N 0 1 380.448 3.832 20 5 GHBDMN NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000470147681 930406984 /nfs/dbraw/zinc/40/69/84/930406984.db2.gz PZCNZVHRJUELQO-FVMIAERFSA-N 0 1 389.839 3.594 20 5 GHBDMN NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000470147681 930406988 /nfs/dbraw/zinc/40/69/88/930406988.db2.gz PZCNZVHRJUELQO-FVMIAERFSA-N 0 1 389.839 3.594 20 5 GHBDMN CCc1nsc(N2CCCN(C/C(C)=C\c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000470178340 930435310 /nfs/dbraw/zinc/43/53/10/930435310.db2.gz JMRQSGAQXCJSCS-QINSGFPZSA-N 0 1 387.509 3.624 20 5 GHBDMN Cc1ccc(-c2n[nH]c(NC(=O)CCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2C)o1 ZINC000782123912 931095614 /nfs/dbraw/zinc/09/56/14/931095614.db2.gz LLNBCGNLTNIENL-UHFFFAOYSA-N 0 1 399.363 3.674 20 5 GHBDMN C[C@@H](Cc1ccccc1C(F)(F)F)N(C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000558126760 931850578 /nfs/dbraw/zinc/85/05/78/931850578.db2.gz JPPMJYCKSPALNC-LBPRGKRZSA-N 0 1 395.381 3.776 20 5 GHBDMN COc1ccc(-c2noc([C@H](C)N(C)CCc3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000558739532 932203813 /nfs/dbraw/zinc/20/38/13/932203813.db2.gz OBSNZOYAEUFVAC-AWEZNQCLSA-N 0 1 382.420 3.889 20 5 GHBDMN O=C(CN1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000798193678 932559615 /nfs/dbraw/zinc/55/96/15/932559615.db2.gz MDNLXZLCKFILEB-LESCRADOSA-N 0 1 395.887 3.592 20 5 GHBDMN O=[N+]([O-])c1ccc(N2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c(Br)c1 ZINC000798397088 932629154 /nfs/dbraw/zinc/62/91/54/932629154.db2.gz RVAUYVWZOPQWOF-LLVKDONJSA-N 0 1 392.257 3.737 20 5 GHBDMN O=[N+]([O-])c1ccc(N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)c(Br)c1 ZINC000798397088 932629171 /nfs/dbraw/zinc/62/91/71/932629171.db2.gz RVAUYVWZOPQWOF-LLVKDONJSA-N 0 1 392.257 3.737 20 5 GHBDMN Cc1nn(CN2CCC[C@H](c3ncc4n3CCCC4)C2)c2cc([N+](=O)[O-])ccc12 ZINC000799941292 933179705 /nfs/dbraw/zinc/17/97/05/933179705.db2.gz PWSRQKOISMGNRZ-INIZCTEOSA-N 0 1 394.479 3.623 20 5 GHBDMN CC(C)CC[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccoc1 ZINC000560549237 933333986 /nfs/dbraw/zinc/33/39/86/933333986.db2.gz OQYUMUCQWZVDGO-SFHVURJKSA-N 0 1 380.466 3.729 20 5 GHBDMN O=C(Nc1nnc(-c2ccncc2)s1)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC001116862159 933798671 /nfs/dbraw/zinc/79/86/71/933798671.db2.gz JGATZXCKROWNDA-UHFFFAOYSA-N 0 1 395.322 3.779 20 5 GHBDMN Cc1ccc(CN2CCCN(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)CC2)cc1 ZINC001117784129 934022116 /nfs/dbraw/zinc/02/21/16/934022116.db2.gz DTTDVGIIVJCCCZ-UHFFFAOYSA-N 0 1 387.867 3.905 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2cnn(CN(CCc3ccccc3)[C@H]3CCOC3)c2)c1 ZINC000777964867 934411327 /nfs/dbraw/zinc/41/13/27/934411327.db2.gz TVHQRPFLKRGNQV-QFIPXVFZSA-N 0 1 392.459 3.749 20 5 GHBDMN O=C(CCc1ccc([N+](=O)[O-])cc1Cl)NC[C@@H](c1ccco1)N1CCCC1 ZINC001124264635 935366348 /nfs/dbraw/zinc/36/63/48/935366348.db2.gz ZRWHGYTWIVYURG-KRWDZBQOSA-N 0 1 391.855 3.727 20 5 GHBDMN C[NH+](C)[C@H]1CCc2cc([N-]S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)ccc21 ZINC000830113223 935899867 /nfs/dbraw/zinc/89/98/67/935899867.db2.gz LNMKJEHDQHLEAZ-INIZCTEOSA-N 0 1 395.868 3.598 20 5 GHBDMN CC[C@@]([NH2+]Cc1c(Br)cccc1[N+](=O)[O-])(C(=O)[O-])c1ccccc1 ZINC001595298646 980419826 /nfs/dbraw/zinc/41/98/26/980419826.db2.gz RTZFWXZLPAMUBN-KRWDZBQOSA-N 0 1 393.237 3.837 20 5 GHBDMN CC[N@@H+](Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)[C@H](C)Cc1ccsc1 ZINC001596362576 983841217 /nfs/dbraw/zinc/84/12/17/983841217.db2.gz HRLQCBIOGRPPPU-CYBMUJFWSA-N 0 1 378.450 3.573 20 5 GHBDMN CC1(C)[C@H](c2ccccc2)CC[N@H+]1Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001593842876 996606090 /nfs/dbraw/zinc/60/60/90/996606090.db2.gz XSHINCDQKQYYLV-KRWDZBQOSA-N 0 1 384.432 3.826 20 5 GHBDMN C[C@@H]1CCCC[N@@H+]1CCC1CCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC001594375484 999416624 /nfs/dbraw/zinc/41/66/24/999416624.db2.gz ULKNCLTWQVDGFZ-MRXNPFEDSA-N 0 1 389.496 3.770 20 5 GHBDMN C[C@@H]1CCCC[N@H+]1CCC1CCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC001594375484 999416625 /nfs/dbraw/zinc/41/66/25/999416625.db2.gz ULKNCLTWQVDGFZ-MRXNPFEDSA-N 0 1 389.496 3.770 20 5 GHBDMN Cc1cc(CNC(=O)c2ccc3oc4cc(OC(C)C)ccc4c(=O)c3c2)n[nH]1 ZINC001154572819 1032191806 /nfs/dbraw/zinc/19/18/06/1032191806.db2.gz DZZZQSSHFAPUSV-UHFFFAOYSA-N 0 1 391.427 3.695 20 5 GHBDMN CCOc1cccc(CNC(=O)[C@@H](N)Cc2c3ccccc3cc3ccccc32)n1 ZINC001221065310 1032263988 /nfs/dbraw/zinc/26/39/88/1032263988.db2.gz GLMZGDWFIFTWFH-QHCPKHFHSA-N 0 1 399.494 3.973 20 5 GHBDMN COc1cccc(-c2noc(-c3cc(-c4cccc([N+](=O)[O-])c4)n[nH]3)n2)c1F ZINC001212995107 1032273297 /nfs/dbraw/zinc/27/32/97/1032273297.db2.gz JFJGLSIJNHIXRU-UHFFFAOYSA-N 0 1 381.323 3.850 20 5 GHBDMN COc1ccc(-c2noc(-c3cc(-c4cccc([N+](=O)[O-])c4)n[nH]3)n2)c(OC)c1 ZINC001212995234 1032278156 /nfs/dbraw/zinc/27/81/56/1032278156.db2.gz PTVALNFAFSNFOK-UHFFFAOYSA-N 0 1 393.359 3.719 20 5 GHBDMN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C2CCCC2)[C@@H](C)C1 ZINC001154888227 1032328183 /nfs/dbraw/zinc/32/81/83/1032328183.db2.gz DEPKHYRFHALMRS-AWEZNQCLSA-N 0 1 377.510 3.796 20 5 GHBDMN CCOC(=O)c1ccc(O[C@H]2CCCN([C@@H](C)c3ccccn3)C2)c([N+](=O)[O-])c1 ZINC001227301951 1032362901 /nfs/dbraw/zinc/36/29/01/1032362901.db2.gz SALYCPVJBPCOJE-RDJZCZTQSA-N 0 1 399.447 3.771 20 5 GHBDMN O=c1oc2cc(O)ccc2c2oc3cc(O[C@@H](C[N+](=O)[O-])C4CC4)ccc3c21 ZINC001227518637 1032450874 /nfs/dbraw/zinc/45/08/74/1032450874.db2.gz QZNYWXATXZSHTH-KRWDZBQOSA-N 0 1 381.340 3.832 20 5 GHBDMN CSc1nc(O[C@@H](C)c2ncc(C(F)(F)F)cc2F)c([N+](=O)[O-])c(=O)[nH]1 ZINC001227629318 1032492246 /nfs/dbraw/zinc/49/22/46/1032492246.db2.gz UZGQMTMYFLIYJC-YFKPBYRVSA-N 0 1 394.306 3.505 20 5 GHBDMN CSc1nc(O[C@H](C)c2c(Cl)cncc2Cl)c([N+](=O)[O-])c(=O)[nH]1 ZINC001227629321 1032492376 /nfs/dbraw/zinc/49/23/76/1032492376.db2.gz VDLDHJDWOVUKHH-RXMQYKEDSA-N 0 1 377.209 3.654 20 5 GHBDMN C[C@@H](c1nc(-c2ccccc2N2CCN(C)CC2)no1)c1cccc([N+](=O)[O-])c1 ZINC000561886054 1017969115 /nfs/dbraw/zinc/96/91/15/1017969115.db2.gz RQQNMHFXOZBRKM-OAHLLOKOSA-N 0 1 393.447 3.548 20 5 GHBDMN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Oc1[n-]c(=O)nc2cc([N+](=O)[O-])ccc21 ZINC001228243125 1032858826 /nfs/dbraw/zinc/85/88/26/1032858826.db2.gz UMDSUGAAUNHFDW-LIRRHRJNSA-N 0 1 394.431 3.533 20 5 GHBDMN Cc1cc(C[C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)n[nH]1 ZINC000159263604 1020192551 /nfs/dbraw/zinc/19/25/51/1020192551.db2.gz OXDNRTJMAUKQBT-LBPRGKRZSA-N 0 1 376.482 3.735 20 5 GHBDMN CC(C)(C)Sc1cc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)ccn1 ZINC000779192919 1020490899 /nfs/dbraw/zinc/49/08/99/1020490899.db2.gz CTXPCEZZZXRCRF-UHFFFAOYSA-N 0 1 398.448 3.918 20 5 GHBDMN COC(=O)c1cc(O[C@@H]2CCN(Cc3ccccc3Cl)C2)cc([N+](=O)[O-])c1 ZINC001228770199 1033087816 /nfs/dbraw/zinc/08/78/16/1033087816.db2.gz HMLLYJLIQUYSCU-MRXNPFEDSA-N 0 1 390.823 3.688 20 5 GHBDMN Cc1nc2ccccc2n1C[C@H]1CCCN1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000755762203 1023366201 /nfs/dbraw/zinc/36/62/01/1023366201.db2.gz MVBRDSGQAKLBFC-GOSISDBHSA-N 0 1 390.447 3.725 20 5 GHBDMN COc1cccc2c1[C@@H](Oc1nc(C(F)(F)F)cc(O)c1[N+](=O)[O-])CCO2 ZINC001228858007 1033139635 /nfs/dbraw/zinc/13/96/35/1033139635.db2.gz AMBQELQUVZZEKQ-NSHDSACASA-N 0 1 386.282 3.625 20 5 GHBDMN O=[N+]([O-])c1c(O)cc(C(F)(F)F)nc1O[C@@H]1CCCN(c2ccccc2)C1 ZINC001228860228 1033143014 /nfs/dbraw/zinc/14/30/14/1033143014.db2.gz ROOASUYYLOXDRH-GFCCVEGCSA-N 0 1 383.326 3.762 20 5 GHBDMN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N(C)C1CCN(CCC(F)(F)F)CC1 ZINC000837184409 1024198642 /nfs/dbraw/zinc/19/86/42/1024198642.db2.gz WASYMIPXBVQUHA-YPKPFQOOSA-N 0 1 399.413 3.873 20 5 GHBDMN COc1ccc(SCCC(=O)OCc2cc(O)ccc2[N+](=O)[O-])cc1OC ZINC000837685374 1024631951 /nfs/dbraw/zinc/63/19/51/1024631951.db2.gz RMTVRYADULLLNF-UHFFFAOYSA-N 0 1 393.417 3.543 20 5 GHBDMN O=C(Nc1ccc2oc(CN3CCCC3)nc2c1)c1c(F)cccc1[N+](=O)[O-] ZINC001141466773 1025140724 /nfs/dbraw/zinc/14/07/24/1025140724.db2.gz CYBIMSHYUIUOLS-UHFFFAOYSA-N 0 1 384.367 3.723 20 5 GHBDMN Nc1cc(NC2CCN(Cc3ccccc3C(F)(F)F)CC2)ncc1[N+](=O)[O-] ZINC001162032256 1025550978 /nfs/dbraw/zinc/55/09/78/1025550978.db2.gz FUBQPWYWOKOGLG-UHFFFAOYSA-N 0 1 395.385 3.667 20 5 GHBDMN CCOc1ccccc1-c1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2NC)[nH]n1 ZINC001163053818 1026026675 /nfs/dbraw/zinc/02/66/75/1026026675.db2.gz DLLMHOSWJVXWAR-UHFFFAOYSA-N 0 1 381.392 3.678 20 5 GHBDMN C[C@@H](c1ccccc1)[C@@H](CO)NCc1cccc([N+](=O)[O-])c1Br ZINC000839555572 1026054996 /nfs/dbraw/zinc/05/49/96/1026054996.db2.gz BYRCWQJECYXTBV-SWLSCSKDSA-N 0 1 379.254 3.612 20 5 GHBDMN NC(=O)[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000839640491 1026147053 /nfs/dbraw/zinc/14/70/53/1026147053.db2.gz JVQYHGTUMPZWLH-LSDHHAIUSA-N 0 1 394.258 3.603 20 5 GHBDMN CC(C)(C)c1nc(CN[C@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)n[nH]1 ZINC000839655695 1026177120 /nfs/dbraw/zinc/17/71/20/1026177120.db2.gz WEMVELODMBRWKG-GFCCVEGCSA-N 0 1 375.326 3.543 20 5 GHBDMN CC(C)CCSc1ccc(C(=O)NCC[N@@H+]2CC=CCC2)cc1[N+](=O)[O-] ZINC001139726860 1026570209 /nfs/dbraw/zinc/57/02/09/1026570209.db2.gz GRGCNXODFIJJGP-UHFFFAOYSA-N 0 1 377.510 3.725 20 5 GHBDMN CC(C)CCSc1ccc(C(=O)NCCN2CC=CCC2)cc1[N+](=O)[O-] ZINC001139726860 1026570219 /nfs/dbraw/zinc/57/02/19/1026570219.db2.gz GRGCNXODFIJJGP-UHFFFAOYSA-N 0 1 377.510 3.725 20 5 GHBDMN C[C@](O)(CCNCc1c(Br)cccc1[N+](=O)[O-])c1ccccc1 ZINC001461446151 1069553587 /nfs/dbraw/zinc/55/35/87/1069553587.db2.gz ARJNQFKHEALTJJ-KRWDZBQOSA-N 0 1 379.254 3.745 20 5 GHBDMN O=C1c2cc([N+](=O)[O-])c(Br)cc2CN1CN1CC[C@@H]2CCCC[C@@H]21 ZINC000842616697 1029418945 /nfs/dbraw/zinc/41/89/45/1029418945.db2.gz DXAIIJMELLUQIZ-NHYWBVRUSA-N 0 1 394.269 3.535 20 5 GHBDMN COc1cc([N+](=O)[O-])c(-c2nc(-c3ccccc3-c3cnco3)no2)cc1O ZINC001216343520 1029609854 /nfs/dbraw/zinc/60/98/54/1029609854.db2.gz IBQBQSVFHOVVOM-UHFFFAOYSA-N 0 1 380.316 3.681 20 5 GHBDMN O=c1cc(CNCc2ccc(-c3ccccc3[N+](=O)[O-])s2)nc2ccccn12 ZINC001461613140 1069641284 /nfs/dbraw/zinc/64/12/84/1069641284.db2.gz OGPWARIYROFJOI-UHFFFAOYSA-N 0 1 392.440 3.621 20 5 GHBDMN C[C@H](c1ccccn1)N1CCC[C@@H](OCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC001222931585 1030356538 /nfs/dbraw/zinc/35/65/38/1030356538.db2.gz LHPLZMGEIKULOA-GDBMZVCRSA-N 0 1 382.420 3.873 20 5 GHBDMN Cc1cnc(COC[C@H]2CN(Cc3ccccc3)CC(C)(C)O2)c(C)c1[N+](=O)[O-] ZINC001224184972 1030915493 /nfs/dbraw/zinc/91/54/93/1030915493.db2.gz AECXGBQLNCAGNP-LJQANCHMSA-N 0 1 399.491 3.803 20 5 GHBDMN N[C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)Nc1cn(CCF)cn1 ZINC001218744037 1031060961 /nfs/dbraw/zinc/06/09/61/1031060961.db2.gz TUOUKRYCSFUNNH-FQEVSTJZSA-N 0 1 376.435 3.668 20 5 GHBDMN CCN=c1ccc(N)cn1C(=O)[C@@H](N)Cc1c2ccccc2cc2ccccc21 ZINC001218740907 1031061467 /nfs/dbraw/zinc/06/14/67/1031061467.db2.gz FHMNQKRHIKYDOB-QFIPXVFZSA-N 0 1 384.483 3.508 20 5 GHBDMN O=[N+]([O-])c1ccc2ncnc(O[C@H]3CCN(Cc4ccc(Cl)cc4)C3)c2c1 ZINC001226440932 1031961738 /nfs/dbraw/zinc/96/17/38/1031961738.db2.gz IJNYNIJTBREDCM-INIZCTEOSA-N 0 1 384.823 3.845 20 5 GHBDMN O=[N+]([O-])c1ccc2c(c1)ncnc2O[C@H]1CCN(Cc2ccc(Cl)cc2)C1 ZINC001229404781 1033461150 /nfs/dbraw/zinc/46/11/50/1033461150.db2.gz ZWKONIKPWBDEKK-INIZCTEOSA-N 0 1 384.823 3.845 20 5 GHBDMN COc1ccc(-c2noc(-c3cc(-c4ccc([N+](=O)[O-])cc4)n[nH]3)n2)cc1F ZINC001213008262 1033570677 /nfs/dbraw/zinc/57/06/77/1033570677.db2.gz BJTMSRNZHJWPQB-UHFFFAOYSA-N 0 1 381.323 3.850 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2cc(-c3nc(-c4ccc(-n5cccn5)cc4)no3)[nH]n2)cc1 ZINC001213008703 1033604131 /nfs/dbraw/zinc/60/41/31/1033604131.db2.gz YZTDBTYEYKHSGQ-UHFFFAOYSA-N 0 1 399.370 3.888 20 5 GHBDMN O=[N+]([O-])c1cc(O[C@H]2COCCN(Cc3ccccc3)C2)cc(C(F)(F)F)c1 ZINC001229830374 1033741025 /nfs/dbraw/zinc/74/10/25/1033741025.db2.gz BGMAGOKCLASYHH-GOSISDBHSA-N 0 1 396.365 3.893 20 5 GHBDMN CN(Cc1ccccc1)C1CN(Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC001206180729 1033756189 /nfs/dbraw/zinc/75/61/89/1033756189.db2.gz SLCZUHOIDCCBPE-UHFFFAOYSA-N 0 1 396.310 3.735 20 5 GHBDMN CN(C(=O)[C@@H](N)Cc1c2ccccc2cc2ccccc21)[C@H]1CC[C@H](O)CC1 ZINC001157997309 1033860210 /nfs/dbraw/zinc/86/02/10/1033860210.db2.gz MOTXQKYAVBLINS-YDHSSHFGSA-N 0 1 376.500 3.625 20 5 GHBDMN CC(C)(C)OC(=O)N1CCC[C@H](F)[C@H](Oc2cc3[nH]ncc3cc2[N+](=O)[O-])C1 ZINC001230594239 1034138369 /nfs/dbraw/zinc/13/83/69/1034138369.db2.gz DWNSKXUNEAPLMB-BLLLJJGKSA-N 0 1 394.403 3.588 20 5 GHBDMN C[C@H]1C[C@H](Oc2cc3[nH]ncc3cc2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C ZINC001230596087 1034139639 /nfs/dbraw/zinc/13/96/39/1034139639.db2.gz PLJUHSIKVXYWQJ-WCQYABFASA-N 0 1 376.413 3.638 20 5 GHBDMN CC(C)(C)OC(=O)N1CCC[C@@H](Oc2cc3[nH]ncc3cc2[N+](=O)[O-])[C@@H](F)C1 ZINC001230596943 1034139790 /nfs/dbraw/zinc/13/97/90/1034139790.db2.gz XNZKCUOKEQCPMS-SWLSCSKDSA-N 0 1 394.403 3.588 20 5 GHBDMN O=[N+]([O-])c1cc2cn[nH]c2cc1O[C@@H]1COc2c1cccc2Br ZINC001230602252 1034142362 /nfs/dbraw/zinc/14/23/62/1034142362.db2.gz XYCHLYFUBUYXTI-CQSZACIVSA-N 0 1 376.166 3.746 20 5 GHBDMN O=[N+]([O-])c1cc2cn[nH]c2cc1O[C@@H]1CCCN(Cc2cnc(Cl)s2)C1 ZINC001230602024 1034142959 /nfs/dbraw/zinc/14/29/59/1034142959.db2.gz UICTUXUNGSHASA-LLVKDONJSA-N 0 1 393.856 3.624 20 5 GHBDMN CC(=O)CC(=O)Nc1ccc2nc(O[C@H](C)c3cccc([N+](=O)[O-])c3)[nH]c2c1 ZINC001231185364 1034450596 /nfs/dbraw/zinc/45/05/96/1034450596.db2.gz LFALXIRVSRFXHQ-GFCCVEGCSA-N 0 1 382.376 3.529 20 5 GHBDMN Cc1cnc(N[C@H]2N=C(c3ccccc3)c3ccccc3NC2=O)c([N+](=O)[O-])c1 ZINC001159527711 1034640938 /nfs/dbraw/zinc/64/09/38/1034640938.db2.gz RCGBYOJMHKMYCX-HXUWFJFHSA-N 0 1 387.399 3.526 20 5 GHBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC[C@@H](NC(=O)c2ccccc2)C1 ZINC001461916886 1069881093 /nfs/dbraw/zinc/88/10/93/1069881093.db2.gz QPVWWUDCEPCZNR-MBGNVJMVSA-N 0 1 379.460 3.893 20 5 GHBDMN CC(C)CC(=O)N1CCCN(Cc2ccc3ccc4cccnc4c3n2)CC1 ZINC001232226632 1035172120 /nfs/dbraw/zinc/17/21/20/1035172120.db2.gz VEOKCDMPKRPWSY-UHFFFAOYSA-N 0 1 376.504 3.863 20 5 GHBDMN Cc1cc(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])ccc1N1CCN(C)CC1 ZINC001252614709 1039049271 /nfs/dbraw/zinc/04/92/71/1039049271.db2.gz LNEDCQKIMNZELZ-UHFFFAOYSA-N 0 1 388.855 3.561 20 5 GHBDMN Cc1ccc([C@H](O)[C@@H](C)NCc2cc(Br)c([N+](=O)[O-])s2)cc1 ZINC001462384952 1070217708 /nfs/dbraw/zinc/21/77/08/1070217708.db2.gz XQAPMLHYMVQGTL-QMTHXVAHSA-N 0 1 385.283 3.939 20 5 GHBDMN COc1cc(OC)cc(-c2nnc(-c3cc(-c4ccc([N+](=O)[O-])cc4)n[nH]3)o2)c1 ZINC001253897702 1039888139 /nfs/dbraw/zinc/88/81/39/1039888139.db2.gz RORHIWHPSIZZJF-UHFFFAOYSA-N 0 1 393.359 3.719 20 5 GHBDMN COC(=O)[C@@H](C)Oc1c(CC=C(C)C)c(O)cc2oc3ccc(O)cc3c(=O)c21 ZINC001234741898 1040267305 /nfs/dbraw/zinc/26/73/05/1040267305.db2.gz SXMSVBXARYDTFO-GFCCVEGCSA-N 0 1 398.411 3.806 20 5 GHBDMN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CC2(CC(NC(=O)OC(C)(C)C)C2)C1 ZINC001254559183 1040330339 /nfs/dbraw/zinc/33/03/39/1040330339.db2.gz JIXNNYHEZIOQQQ-AWEZNQCLSA-N 0 1 375.469 3.515 20 5 GHBDMN Cc1cc2ccccc2nc1N1CCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254605961 1040377300 /nfs/dbraw/zinc/37/73/00/1040377300.db2.gz DBIGGFBQAXBNKO-NRFANRHFSA-N 0 1 388.471 3.741 20 5 GHBDMN COc1cc(N2CCC(N3CCC[C@H]3c3nccs3)CC2)ccc1[N+](=O)[O-] ZINC001256100441 1041527239 /nfs/dbraw/zinc/52/72/39/1041527239.db2.gz IUYNPJKBXDTHNF-KRWDZBQOSA-N 0 1 388.493 3.866 20 5 GHBDMN O=[N+]([O-])c1cc(O)ccc1-c1nnc(-c2ccc(Cn3cc(Cl)cn3)cc2)o1 ZINC001257182418 1043922940 /nfs/dbraw/zinc/92/29/40/1043922940.db2.gz NMLSOCFRHVPDBO-UHFFFAOYSA-N 0 1 397.778 3.916 20 5 GHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N(Cc1ccc2c(c1)OCO2)c1ccccc1 ZINC001293107694 1044023246 /nfs/dbraw/zinc/02/32/46/1044023246.db2.gz ONAUDFNIONJUGW-UHFFFAOYSA-N 0 1 392.367 3.876 20 5 GHBDMN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H]2C[C@H]1CN2Cc1ccccc1 ZINC001301750890 1046682908 /nfs/dbraw/zinc/68/29/08/1046682908.db2.gz HNPISIVVVRJMDC-BVSLBCMMSA-N 0 1 393.487 3.649 20 5 GHBDMN CN1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC001463222854 1070921429 /nfs/dbraw/zinc/92/14/29/1070921429.db2.gz LZGIJMGMCYEHNI-MRXNPFEDSA-N 0 1 385.489 3.960 20 5 GHBDMN C[C@H]1CN(C(C)(C)CNc2c3cccc(Cl)c3ncc2[N+](=O)[O-])C[C@H](C)O1 ZINC001306922154 1048960658 /nfs/dbraw/zinc/96/06/58/1048960658.db2.gz GEJJSENYORFVCD-STQMWFEESA-N 0 1 392.887 3.518 20 5 GHBDMN COC(=O)/C=C\c1ccc(OCCN(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC001307537711 1049382037 /nfs/dbraw/zinc/38/20/37/1049382037.db2.gz IRCIZMQEQCTNRT-GHXNOFRVSA-N 0 1 396.443 3.824 20 5 GHBDMN Cc1cccc(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1Br ZINC001307546636 1049389477 /nfs/dbraw/zinc/38/94/77/1049389477.db2.gz XFZOHEZRGPGEEE-AWEZNQCLSA-N 0 1 391.269 3.747 20 5 GHBDMN O=[N+]([O-])c1ccccc1OCCN1CCC[C@@](O)(c2ccc(Cl)cc2)C1 ZINC001307896654 1049674473 /nfs/dbraw/zinc/67/44/73/1049674473.db2.gz OFJYEBWIPAWYRK-IBGZPJMESA-N 0 1 376.840 3.611 20 5 GHBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@@H](C(C)(C)O)C2)cc1OC ZINC001308050364 1049798457 /nfs/dbraw/zinc/79/84/57/1049798457.db2.gz PDKZZDFPBDBWIE-GOEBONIOSA-N 0 1 380.485 3.621 20 5 GHBDMN Cc1cc(Br)ccc1NC(=O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001308069559 1049816198 /nfs/dbraw/zinc/81/61/98/1049816198.db2.gz YJXKFGSFMLZXFI-LBPRGKRZSA-N 0 1 392.253 3.955 20 5 GHBDMN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[N@@H+](C2CCCC2)[C@@H](C)C1 ZINC001308079576 1049824273 /nfs/dbraw/zinc/82/42/73/1049824273.db2.gz MKBZOOBBYLYHKM-UONOGXRCSA-N 0 1 394.903 3.524 20 5 GHBDMN CN(CC[C@@H]1CCCC[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC001308175004 1049901458 /nfs/dbraw/zinc/90/14/58/1049901458.db2.gz YTXNONDRPPJGQP-INIZCTEOSA-N 0 1 393.484 3.912 20 5 GHBDMN COc1ccc(CNCc2cc(OC)c(OC)cc2SC)cc1[N+](=O)[O-] ZINC001308252628 1049927606 /nfs/dbraw/zinc/92/76/06/1049927606.db2.gz NYDHLVQMGCLZCD-UHFFFAOYSA-N 0 1 378.450 3.632 20 5 GHBDMN CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H](C)N(CC)C(=O)OC(C)(C)C ZINC001308392522 1049965347 /nfs/dbraw/zinc/96/53/47/1049965347.db2.gz HNSLJSZATQCCQC-CQSZACIVSA-N 0 1 381.473 3.729 20 5 GHBDMN C[C@]1(c2ccccc2)CC[C@@H](N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001308571342 1050014755 /nfs/dbraw/zinc/01/47/55/1050014755.db2.gz SJWDIBHQBBEUPY-GGAORHGYSA-N 0 1 393.487 3.863 20 5 GHBDMN COc1c(O)ccc(CN(C)CCc2cccc(Br)c2)c1[N+](=O)[O-] ZINC001308787629 1050093957 /nfs/dbraw/zinc/09/39/57/1050093957.db2.gz MWXPTHMRFLULNA-UHFFFAOYSA-N 0 1 395.253 3.746 20 5 GHBDMN O=C1OCCN1[C@@H]1CCN(Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC001328265121 1050456085 /nfs/dbraw/zinc/45/60/85/1050456085.db2.gz ZSUFFECYGGFVDE-CYBMUJFWSA-N 0 1 391.811 3.535 20 5 GHBDMN Cc1ccc(C[N@H+]2CCCN(C(=O)C(C)(C)c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC001330517110 1051020803 /nfs/dbraw/zinc/02/08/03/1051020803.db2.gz JODQRDZSRQWIMG-UHFFFAOYSA-N 0 1 395.503 3.915 20 5 GHBDMN Cc1ccc(CN2CCCN(C(=O)C(C)(C)c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC001330517110 1051020814 /nfs/dbraw/zinc/02/08/14/1051020814.db2.gz JODQRDZSRQWIMG-UHFFFAOYSA-N 0 1 395.503 3.915 20 5 GHBDMN Cc1ccc(CN2CCCN(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])CC2)cc1 ZINC001317852485 1054279935 /nfs/dbraw/zinc/27/99/35/1054279935.db2.gz NDOFTMIFFWSHED-UHFFFAOYSA-N 0 1 387.867 3.905 20 5 GHBDMN COc1cc(CN(C)[C@H]2CC[C@H](SC)C2)c([N+](=O)[O-])cc1OC(F)F ZINC001318792823 1054875963 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CCC[C@@H]1CN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC001266608992 839490176 /nfs/dbraw/zinc/49/01/76/839490176.db2.gz WOLMYUPRNGCHFI-HXUWFJFHSA-N 0 1 399.466 3.790 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(Cl)cc1-n1cccn1 ZINC000471578590 839582326 /nfs/dbraw/zinc/58/23/26/839582326.db2.gz QOYYZNXKPKHYQN-UHFFFAOYSA-N 0 1 392.824 3.543 20 5 GHBDMN CC(C)(CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)N1CCc2ccccc2C1 ZINC000025461100 844461634 /nfs/dbraw/zinc/46/16/34/844461634.db2.gz XYYNGHVMHPRHEO-UHFFFAOYSA-N 0 1 387.867 3.815 20 5 GHBDMN COc1ccc([C@H](Cc2ccc(F)cc2)NCc2c([N+](=O)[O-])ncn2C)cc1 ZINC000537076096 839730471 /nfs/dbraw/zinc/73/04/71/839730471.db2.gz QQJRGBDIEUZQAN-SFHVURJKSA-N 0 1 384.411 3.550 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Cl)cc1-n1cccn1 ZINC000471590020 839749655 /nfs/dbraw/zinc/74/96/55/839749655.db2.gz UGVBQRFDQRRSEF-UHFFFAOYSA-N 0 1 392.824 3.543 20 5 GHBDMN C[C@@H](Nc1ccc(-c2nc(C3(N)CCC3)no2)cc1[N+](=O)[O-])c1ccccn1 ZINC000261894372 839857020 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KSRRKPZSGLECQQ-GTNSWQLSSA-N 0 1 392.419 3.865 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2ccc(CN3CC[C@H]4CC[C@@H](C3)[S@]4=O)o2)c(Cl)c1 ZINC000600209910 861251407 /nfs/dbraw/zinc/25/14/07/861251407.db2.gz XQHMKXKWHXIKPH-RIDFSIMASA-N 0 1 394.880 3.994 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1c(F)cccc1N1CCCC1 ZINC000127292625 842185193 /nfs/dbraw/zinc/18/51/93/842185193.db2.gz KNNSIFVZQJOJKJ-UHFFFAOYSA-N 0 1 399.831 3.788 20 5 GHBDMN COc1cccc(C[C@@H]2CCCN2Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000603868412 861298800 /nfs/dbraw/zinc/29/88/00/861298800.db2.gz LXBFDVQMHCYAPH-SFHVURJKSA-N 0 1 394.431 3.861 20 5 GHBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000093760094 842566110 /nfs/dbraw/zinc/56/61/10/842566110.db2.gz OGLIBXPGQFYCMR-QGZVFWFLSA-N 0 1 382.338 3.893 20 5 GHBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000093760092 842566456 /nfs/dbraw/zinc/56/64/56/842566456.db2.gz OGLIBXPGQFYCMR-KRWDZBQOSA-N 0 1 382.338 3.893 20 5 GHBDMN O=C(Cc1cccs1)Nc1ccccc1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000432495730 842694670 /nfs/dbraw/zinc/69/46/70/842694670.db2.gz SFMRYPHADCHJKE-UHFFFAOYSA-N 0 1 397.412 3.795 20 5 GHBDMN CCCc1[nH]nc(C(=O)N2CC(Cc3ccc(C(F)(F)F)cc3)C2)c1[N+](=O)[O-] ZINC000610660642 843437629 /nfs/dbraw/zinc/43/76/29/843437629.db2.gz ZVKLVZJUTHJEFM-UHFFFAOYSA-N 0 1 396.369 3.604 20 5 GHBDMN Cc1cc(Br)ccc1[C@@H]1CCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000599637906 861432693 /nfs/dbraw/zinc/43/26/93/861432693.db2.gz XFUQNQWNPZPNIJ-HNNXBMFYSA-N 0 1 379.258 3.699 20 5 GHBDMN CC1(C)C[C@@H](NCc2n[nH]c(COc3ccccc3)n2)c2cc([N+](=O)[O-])ccc21 ZINC000433244286 843918550 /nfs/dbraw/zinc/91/85/50/843918550.db2.gz UVNYTNLOKUVYQY-GOSISDBHSA-N 0 1 393.447 3.804 20 5 GHBDMN COc1cc(CN2CCC(C)(OC)CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000500753799 843954945 /nfs/dbraw/zinc/95/49/45/843954945.db2.gz VLLRWRIOSUDFDP-UHFFFAOYSA-N 0 1 392.374 3.545 20 5 GHBDMN COc1ccccc1N1CC[C@H](N[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1=O ZINC000433288115 843976720 /nfs/dbraw/zinc/97/67/20/843976720.db2.gz LPOZTOFLVBXWMZ-ZWKOTPCHSA-N 0 1 395.459 3.721 20 5 GHBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@@H](O)C23CCCC3)cc1OC ZINC000433297419 843994855 /nfs/dbraw/zinc/99/48/55/843994855.db2.gz LFCKMOBNCHCGID-MGPUTAFESA-N 0 1 392.496 3.908 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N(C[C@@H]2CCCO2)C2CCC(C)CC2)c1[N+](=O)[O-] ZINC000610923526 844858876 /nfs/dbraw/zinc/85/88/76/844858876.db2.gz ARXGBPZZNKQPDX-NRXISQOPSA-N 0 1 378.473 3.641 20 5 GHBDMN CO[C@H](c1ccccc1Cl)[C@@H](C)NCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000481492602 861516946 /nfs/dbraw/zinc/51/69/46/861516946.db2.gz ICECQMZOEIJOIW-YJYMSZOUSA-N 0 1 391.855 3.861 20 5 GHBDMN COC[C@@H](C)N(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCc2ccccc21 ZINC000599684257 861525289 /nfs/dbraw/zinc/52/52/89/861525289.db2.gz XJXWIJNUYREGPW-IERDGZPVSA-N 0 1 397.475 3.582 20 5 GHBDMN CCOc1ccc2nc(S[C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])[nH]c2c1 ZINC000004830338 845437167 /nfs/dbraw/zinc/43/71/67/845437167.db2.gz GZUPPVAFVBUUCQ-LLVKDONJSA-N 0 1 386.433 3.989 20 5 GHBDMN CC1(C)C[C@H](NCC(=O)Nc2ccc(F)c(F)c2F)c2cc([N+](=O)[O-])ccc21 ZINC000433168958 845562457 /nfs/dbraw/zinc/56/24/57/845562457.db2.gz OZWIYTNQZZJKET-HNNXBMFYSA-N 0 1 393.365 3.963 20 5 GHBDMN COC[C@@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)[C@@H]1CCCO1 ZINC000433174073 845586293 /nfs/dbraw/zinc/58/62/93/845586293.db2.gz JQOMRBHQCYVFDE-AEFFLSMTSA-N 0 1 380.828 3.792 20 5 GHBDMN Cc1ccc(C)c(OC2CCN(C(=O)c3n[nH]c(C(C)C)c3[N+](=O)[O-])CC2)c1 ZINC000433988511 845695402 /nfs/dbraw/zinc/69/54/02/845695402.db2.gz RJBUMODIGFZRTL-UHFFFAOYSA-N 0 1 386.452 3.742 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@]3(CCCc4ccccc43)C2)c1[N+](=O)[O-] ZINC000434012449 845725213 /nfs/dbraw/zinc/72/52/13/845725213.db2.gz PAQSGCAYHUQAKV-OAQYLSRUSA-N 0 1 382.464 3.952 20 5 GHBDMN C[C@H](N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000539678510 846360862 /nfs/dbraw/zinc/36/08/62/846360862.db2.gz LHKOXOXDSLTKNL-APPDUMDISA-N 0 1 377.803 3.843 20 5 GHBDMN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H](C)N1CCc2ccccc2C1 ZINC000127590253 847108992 /nfs/dbraw/zinc/10/89/92/847108992.db2.gz UXTCKOWAZVLUMU-OAHLLOKOSA-N 0 1 382.464 3.780 20 5 GHBDMN COc1ccc(NC(=O)CN[C@@H](c2ccc(Cl)cc2)C2CC2)c([N+](=O)[O-])c1 ZINC000050273532 847576967 /nfs/dbraw/zinc/57/69/67/847576967.db2.gz PMTGOEIJUFGZSB-LJQANCHMSA-N 0 1 389.839 3.936 20 5 GHBDMN CCC(=O)c1ccc(NC[C@@H]2CN(Cc3ccccc3)CCCO2)c([N+](=O)[O-])c1 ZINC000479315641 847590275 /nfs/dbraw/zinc/59/02/75/847590275.db2.gz JPROBQDGJZVUNC-LJQANCHMSA-N 0 1 397.475 3.891 20 5 GHBDMN COc1ccccc1C[C@H]1CCCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000479931270 847952940 /nfs/dbraw/zinc/95/29/40/847952940.db2.gz XMPCLQHTXAHMIN-GOSISDBHSA-N 0 1 394.431 3.861 20 5 GHBDMN O=C(Nc1nc2cc(Cl)c(F)cc2[nH]1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC001167609822 848278951 /nfs/dbraw/zinc/27/89/51/848278951.db2.gz FXRMVQKNFYNINW-UHFFFAOYSA-N 0 1 392.759 3.521 20 5 GHBDMN Cc1ccncc1[C@@H](C)NCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000611940362 848334170 /nfs/dbraw/zinc/33/41/70/848334170.db2.gz YXMJMLUTDIDSMN-CYBMUJFWSA-N 0 1 397.460 3.711 20 5 GHBDMN C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(F)cc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000132091133 861901659 /nfs/dbraw/zinc/90/16/59/861901659.db2.gz XZORRPZPJHPSNZ-YVEFUNNKSA-N 0 1 377.441 3.608 20 5 GHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC(c2c[nH]c3ccc(F)cc32)CC1 ZINC000572875202 848561059 /nfs/dbraw/zinc/56/10/59/848561059.db2.gz WQIXTDNWCPUGQR-UHFFFAOYSA-N 0 1 383.379 3.941 20 5 GHBDMN Cc1ccc2nc([C@@H]3CCCN3C(=O)COc3ccc([N+](=O)[O-])cc3)[nH]c2c1 ZINC000061233084 848583394 /nfs/dbraw/zinc/58/33/94/848583394.db2.gz AUQIARMUBTXRBM-SFHVURJKSA-N 0 1 380.404 3.522 20 5 GHBDMN Cc1ccc([C@H](C)N[C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)cc1[N+](=O)[O-] ZINC000161531258 848638251 /nfs/dbraw/zinc/63/82/51/848638251.db2.gz FAICPNICDYYAPF-GJZGRUSLSA-N 0 1 391.493 3.565 20 5 GHBDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)n[nH]1 ZINC000277962711 848656334 /nfs/dbraw/zinc/65/63/34/848656334.db2.gz ULIJOXVBIHCIDG-WDEREUQCSA-N 0 1 377.420 3.521 20 5 GHBDMN Cc1ccccc1C(NS(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccccc1C ZINC000583136891 849152576 /nfs/dbraw/zinc/15/25/76/849152576.db2.gz YEDHRPTWPVXLGJ-UHFFFAOYSA-N 0 1 397.456 3.675 20 5 GHBDMN CCCc1[nH]nc(C(=O)N2CCC([C@H](F)c3ccccc3F)CC2)c1[N+](=O)[O-] ZINC000583220804 849362850 /nfs/dbraw/zinc/36/28/50/849362850.db2.gz NSJAINIFLVDMJR-INIZCTEOSA-N 0 1 392.406 3.973 20 5 GHBDMN Cc1[nH]nc(C(=O)N2CCCCC[C@H]2Cc2ccccc2Cl)c1[N+](=O)[O-] ZINC000508448243 862034026 /nfs/dbraw/zinc/03/40/26/862034026.db2.gz HKPWWPRZDVESMB-AWEZNQCLSA-N 0 1 376.844 3.907 20 5 GHBDMN Cc1cc(S(=O)(=O)Nc2ccc(Cl)c(OC(F)F)c2)ccc1[N+](=O)[O-] ZINC000504045896 849854198 /nfs/dbraw/zinc/85/41/98/849854198.db2.gz SFPFUTGUIABDQJ-UHFFFAOYSA-N 0 1 392.767 3.959 20 5 GHBDMN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccc(CN2CCSCC2)cc1 ZINC000504408221 850056000 /nfs/dbraw/zinc/05/60/00/850056000.db2.gz MZRNXKQTUZKSPG-HNNXBMFYSA-N 0 1 397.500 3.735 20 5 GHBDMN COCc1cc(Cl)ccc1NS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000424081328 850192602 /nfs/dbraw/zinc/19/26/02/850192602.db2.gz JRGHDKQUTIBMFY-UHFFFAOYSA-N 0 1 384.841 3.812 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@H](Oc3ccccc3Cl)C2)c1[N+](=O)[O-] ZINC000504678359 850231346 /nfs/dbraw/zinc/23/13/46/850231346.db2.gz TVOYFUKIELXANQ-LBPRGKRZSA-N 0 1 392.843 3.778 20 5 GHBDMN CN1CC[C@@H](NCc2c(F)cc([N+](=O)[O-])cc2F)[C@@H]1c1ccc(F)c(F)c1 ZINC000519036317 850534072 /nfs/dbraw/zinc/53/40/72/850534072.db2.gz UDHCQAHTSMOMIA-MSOLQXFVSA-N 0 1 383.345 3.686 20 5 GHBDMN O=C(Nc1cc(-c2ccc(OC(F)F)cc2)no1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000506726049 850611829 /nfs/dbraw/zinc/61/18/29/850611829.db2.gz RXSXUGIPQRFODZ-UHFFFAOYSA-N 0 1 391.286 3.809 20 5 GHBDMN COc1ccc(C(=O)N2CCN(C3CCC(C(C)C)CC3)CC2)cc1[N+](=O)[O-] ZINC000439982388 850654975 /nfs/dbraw/zinc/65/49/75/850654975.db2.gz UKGMYYCGFGTNOF-UHFFFAOYSA-N 0 1 389.496 3.576 20 5 GHBDMN CCCc1[nH]nc(C(=O)N2CCC[C@]3(CCCc4ccccc43)C2)c1[N+](=O)[O-] ZINC000440005168 850691835 /nfs/dbraw/zinc/69/18/35/850691835.db2.gz IZZPMRGCKNCQBC-OAQYLSRUSA-N 0 1 382.464 3.781 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2ccc(CN3CCN(c4ccc(O)cc4)CC3)o2)cc1 ZINC000505301268 850801566 /nfs/dbraw/zinc/80/15/66/850801566.db2.gz GSJXMEIZCBGOHZ-UHFFFAOYSA-N 0 1 379.416 3.883 20 5 GHBDMN O=[N+]([O-])c1cnn(CCNCc2ccc(-c3cccc(Br)c3)o2)c1 ZINC000151257634 851020008 /nfs/dbraw/zinc/02/00/08/851020008.db2.gz WJULMMRFBRARTO-UHFFFAOYSA-N 0 1 391.225 3.604 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N2CCc3c(Cl)cc(Cl)cc3C2)c1[N+](=O)[O-] ZINC000434360664 851031681 /nfs/dbraw/zinc/03/16/81/851031681.db2.gz RZHQFKWAUKQEPQ-UHFFFAOYSA-N 0 1 383.235 3.947 20 5 GHBDMN CCc1nc(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)ccc1C(=O)[O-] ZINC000426651039 851130025 /nfs/dbraw/zinc/13/00/25/851130025.db2.gz JFSRXPDHGQIPTG-UHFFFAOYSA-N 0 1 381.388 3.800 20 5 GHBDMN C[C@@H](CN1CCCCC1)NC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436101423 851197746 /nfs/dbraw/zinc/19/77/46/851197746.db2.gz JHZUDAPWDIDVMG-ZDUSSCGKSA-N 0 1 399.441 3.564 20 5 GHBDMN O=C(CCSCc1ccccc1)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000473699431 851686254 /nfs/dbraw/zinc/68/62/54/851686254.db2.gz MEEFXDWBLVBAHZ-UHFFFAOYSA-N 0 1 383.433 3.642 20 5 GHBDMN O=C(Nc1ccc2nc(-c3ccco3)[nH]c2c1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000517433462 851956772 /nfs/dbraw/zinc/95/67/72/851956772.db2.gz XFSGXCMDYJJAEN-UHFFFAOYSA-N 0 1 388.343 3.860 20 5 GHBDMN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1n[nH]c([C@H](C)CC)n1 ZINC000489242215 852157077 /nfs/dbraw/zinc/15/70/77/852157077.db2.gz ZTUWFICIPZVPKH-MNOVXSKESA-N 0 1 377.470 3.829 20 5 GHBDMN O=C(Nc1ccc(Cn2cnc3ccccc32)cc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000506209278 852274727 /nfs/dbraw/zinc/27/47/27/852274727.db2.gz VHKPYNPNCHSHFP-UHFFFAOYSA-N 0 1 388.383 3.951 20 5 GHBDMN COc1ccc(CN2CCC[C@@H](c3nc(C(F)(F)F)cn3C)C2)cc1[N+](=O)[O-] ZINC000489680969 852528052 /nfs/dbraw/zinc/52/80/52/852528052.db2.gz DFHFBCZFDMNSKZ-CYBMUJFWSA-N 0 1 398.385 3.735 20 5 GHBDMN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000507087977 852551932 /nfs/dbraw/zinc/55/19/32/852551932.db2.gz MRBUZUPVDUAGGN-NSHDSACASA-N 0 1 377.470 3.829 20 5 GHBDMN Cc1ccc([C@@H](C)NC(=O)NC[C@@H](c2ccsc2)N(C)C)cc1[N+](=O)[O-] ZINC000489909381 852661995 /nfs/dbraw/zinc/66/19/95/852661995.db2.gz HGAXZYMGAOUCKE-DYVFJYSZSA-N 0 1 376.482 3.628 20 5 GHBDMN C[C@H]1CN(Cc2ccccc2)CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000323769330 852733155 /nfs/dbraw/zinc/73/31/55/852733155.db2.gz YVHZISSTUSKTQZ-HNNXBMFYSA-N 0 1 387.867 3.842 20 5 GHBDMN C[C@@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000506361195 852843346 /nfs/dbraw/zinc/84/33/46/852843346.db2.gz HEGXSSXIBZXAKN-DIFFPNOSSA-N 0 1 376.796 3.556 20 5 GHBDMN Cc1cccc(CSCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)c1 ZINC000490371020 852966183 /nfs/dbraw/zinc/96/61/83/852966183.db2.gz SRYNHSIPAWFFPD-UHFFFAOYSA-N 0 1 383.433 3.560 20 5 GHBDMN COc1cccc([C@@H](C)N2CCN(CCCOc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000507728626 853345100 /nfs/dbraw/zinc/34/51/00/853345100.db2.gz YXAUAFHSQFKHBI-GOSISDBHSA-N 0 1 399.491 3.751 20 5 GHBDMN O=C(NC[C@H](OCC1CC1)c1ccc(Cl)cc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000586855299 853579505 /nfs/dbraw/zinc/57/95/05/853579505.db2.gz RJGSZUPHKUFISX-SFHVURJKSA-N 0 1 390.823 3.852 20 5 GHBDMN COc1ccc(CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H](C)C2CC2)cc1 ZINC000052866986 853679576 /nfs/dbraw/zinc/67/95/76/853679576.db2.gz AKTFGMJBGBZCTB-AWEZNQCLSA-N 0 1 383.448 3.503 20 5 GHBDMN Cc1c(NC(=O)[C@H](C)N(C)CCCOCc2ccccc2)cccc1[N+](=O)[O-] ZINC000439480241 853707032 /nfs/dbraw/zinc/70/70/32/853707032.db2.gz CMCZZKPMRPTSID-KRWDZBQOSA-N 0 1 385.464 3.769 20 5 GHBDMN CCc1cc(C)cc(CC)c1NS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000481890318 862497850 /nfs/dbraw/zinc/49/78/50/862497850.db2.gz QTDADAHMKPERRS-UHFFFAOYSA-N 0 1 378.450 3.837 20 5 GHBDMN COc1ccccc1[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1)N1CCCCC1 ZINC000055752306 854090625 /nfs/dbraw/zinc/09/06/25/854090625.db2.gz KWTJTXNUPUTMFV-IBGZPJMESA-N 0 1 383.448 3.560 20 5 GHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC[C@H]1Cc1ccccc1Cl ZINC000056276755 854614241 /nfs/dbraw/zinc/61/42/41/854614241.db2.gz WJEWUBSVASPUAW-ZDUSSCGKSA-N 0 1 384.823 3.972 20 5 GHBDMN C[C@@H](NCc1ccc(Br)cc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000326660622 854848843 /nfs/dbraw/zinc/84/88/43/854848843.db2.gz AGRPQCXNKHAAHL-LLVKDONJSA-N 0 1 393.237 3.979 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@@H](C)c1c(F)cccc1F ZINC000553231389 854894520 /nfs/dbraw/zinc/89/45/20/854894520.db2.gz JAFOTZMFCROYLR-NSHDSACASA-N 0 1 379.363 3.561 20 5 GHBDMN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000057498188 855430106 /nfs/dbraw/zinc/43/01/06/855430106.db2.gz UKUBFRSJGDUANK-UGSOOPFHSA-N 0 1 391.468 3.634 20 5 GHBDMN O=C(Nc1nc(-c2ccc3ccccc3n2)n[nH]1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000590556879 855475289 /nfs/dbraw/zinc/47/52/89/855475289.db2.gz RYBVIMINZLXPEU-UHFFFAOYSA-N 0 1 394.778 3.834 20 5 GHBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@@H](c2ccccn2)C1 ZINC000590600766 855505421 /nfs/dbraw/zinc/50/54/21/855505421.db2.gz MNLWRRUDJPLVRR-GOEBONIOSA-N 0 1 379.420 3.980 20 5 GHBDMN COc1ccc(C(=O)Nc2ccc3nc([C@@H]4CCCO4)[nH]c3c2)cc1[N+](=O)[O-] ZINC000141495937 855635852 /nfs/dbraw/zinc/63/58/52/855635852.db2.gz BYQSYPVZALLVOS-KRWDZBQOSA-N 0 1 382.376 3.584 20 5 GHBDMN COC(=O)COc1ccc(CN[C@@H](C)c2cc(C)sc2C)cc1[N+](=O)[O-] ZINC000473993541 855646482 /nfs/dbraw/zinc/64/64/82/855646482.db2.gz ISITXRNWZQBEGF-LBPRGKRZSA-N 0 1 378.450 3.676 20 5 GHBDMN Cc1cc(C2CCN(C(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)CC2)n[nH]1 ZINC000273601503 855771671 /nfs/dbraw/zinc/77/16/71/855771671.db2.gz JKTDOUUUEBSJJH-UHFFFAOYSA-N 0 1 397.460 3.770 20 5 GHBDMN Cc1ccc(C(=O)C2CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)CC2)c(C)c1 ZINC000542802963 855924506 /nfs/dbraw/zinc/92/45/06/855924506.db2.gz DNJMYFYHIFLWKM-UHFFFAOYSA-N 0 1 382.416 3.652 20 5 GHBDMN Cc1ccc(C=Cc2n[nH]c(S[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)n2)o1 ZINC000591374552 855956500 /nfs/dbraw/zinc/95/65/00/855956500.db2.gz NNFFXXGSLXPATD-JLVNDZCYSA-N 0 1 399.432 3.904 20 5 GHBDMN Cc1nc2cc(NS(=O)(=O)c3cc(Cl)c(C)c([N+](=O)[O-])c3)ccc2o1 ZINC000007423502 856291280 /nfs/dbraw/zinc/29/12/80/856291280.db2.gz OABCMGYIYIINNX-UHFFFAOYSA-N 0 1 381.797 3.807 20 5 GHBDMN Cc1cc(N2CC[C@@H](C(=O)NCc3ccccc3)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000591983777 856551252 /nfs/dbraw/zinc/55/12/52/856551252.db2.gz AIPGOVIIDFWSKV-QGZVFWFLSA-N 0 1 390.443 3.594 20 5 GHBDMN COc1ccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1OCc1cccnc1 ZINC000427891301 856848933 /nfs/dbraw/zinc/84/89/33/856848933.db2.gz AYCCQKTXMNRJIM-UHFFFAOYSA-N 0 1 395.371 3.535 20 5 GHBDMN CCn1c2ccccc2nc1[C@H]1CCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000428024244 857031718 /nfs/dbraw/zinc/03/17/18/857031718.db2.gz ZMKJKJIJXDOXFN-GOSISDBHSA-N 0 1 380.404 3.647 20 5 GHBDMN Cc1nc(C(C)(C)NCCC(=O)Nc2cccc([N+](=O)[O-])c2C)sc1C ZINC000173955725 857186321 /nfs/dbraw/zinc/18/63/21/857186321.db2.gz DUXVILXHNITWLT-UHFFFAOYSA-N 0 1 376.482 3.830 20 5 GHBDMN CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccc(Cl)cc2)N(C)C)c1 ZINC000574102007 857246542 /nfs/dbraw/zinc/24/65/42/857246542.db2.gz ABXQOYSELNQZOC-SFHVURJKSA-N 0 1 391.855 3.680 20 5 GHBDMN C[C@@H]1C[C@H]1c1ccc(CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C2CC2)o1 ZINC000027281857 857756044 /nfs/dbraw/zinc/75/60/44/857756044.db2.gz DFYPOFAMUYWDFS-IAQYHMDHSA-N 0 1 380.404 3.992 20 5 GHBDMN COc1cc(CNC[C@@H]2CCC[C@H](C)O2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000594985307 858357747 /nfs/dbraw/zinc/35/77/47/858357747.db2.gz LDMKNHBHRIFHDG-AAEUAGOBSA-N 0 1 392.374 3.592 20 5 GHBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H](C[C@@H]2CCOC2)c2ccccc2)c1 ZINC000593021314 858548267 /nfs/dbraw/zinc/54/82/67/858548267.db2.gz VASBEHXVFAOKPK-KXBFYZLASA-N 0 1 384.432 3.639 20 5 GHBDMN COc1cc(N2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)c(F)cc1[N+](=O)[O-] ZINC000301911718 858920962 /nfs/dbraw/zinc/92/09/62/858920962.db2.gz CNPYKAXYPLRKKF-AWEZNQCLSA-N 0 1 383.383 3.869 20 5 GHBDMN COc1cc(N2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)c(F)cc1[N+](=O)[O-] ZINC000301911718 858920966 /nfs/dbraw/zinc/92/09/66/858920966.db2.gz CNPYKAXYPLRKKF-AWEZNQCLSA-N 0 1 383.383 3.869 20 5 GHBDMN COc1ccc(S(=O)(=O)Nc2ccccc2OC(C)(C)C)cc1[N+](=O)[O-] ZINC000522364330 859196398 /nfs/dbraw/zinc/19/63/98/859196398.db2.gz VJSXYFYFPGITDA-UHFFFAOYSA-N 0 1 380.422 3.582 20 5 GHBDMN COc1ccc(C[C@@H](C)N2CCN(C3(c4ccccc4)CC3)CC2)c([N+](=O)[O-])c1 ZINC001170354897 881396364 /nfs/dbraw/zinc/39/63/64/881396364.db2.gz RPICRBQOQFTLNH-GOSISDBHSA-N 0 1 395.503 3.841 20 5 GHBDMN Cc1cc(NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000519161946 859268509 /nfs/dbraw/zinc/26/85/09/859268509.db2.gz UMXLHJAATVTGCZ-AWEZNQCLSA-N 0 1 389.477 3.987 20 5 GHBDMN COc1cc(CN2C[C@@H]3COC[C@@]3(C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000597209909 859349160 /nfs/dbraw/zinc/34/91/60/859349160.db2.gz FMUVEUUDJYGHNU-XMSQKQJNSA-N 0 1 398.459 3.651 20 5 GHBDMN C[C@@]1(c2ccc(F)cc2)CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000483419295 859352361 /nfs/dbraw/zinc/35/23/61/859352361.db2.gz HWDYLRMSXAQTBN-HXUWFJFHSA-N 0 1 382.395 3.948 20 5 GHBDMN Cc1noc(-c2ccccc2)c1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC001127780705 859515746 /nfs/dbraw/zinc/51/57/46/859515746.db2.gz QNLVBEWPAMYYST-UHFFFAOYSA-N 0 1 395.371 3.972 20 5 GHBDMN O=[N+]([O-])c1cc2c(cc1CN1CC[C@@H](CSc3ccccc3)C1)OCCO2 ZINC000611274598 859678151 /nfs/dbraw/zinc/67/81/51/859678151.db2.gz KGXJFTOQVZNOMQ-OAHLLOKOSA-N 0 1 386.473 3.980 20 5 GHBDMN COc1ccc(C[C@@H](C)N2CC[C@@H](Oc3cc(F)ccc3F)C2)c([N+](=O)[O-])c1 ZINC001170345061 881463683 /nfs/dbraw/zinc/46/36/83/881463683.db2.gz GYHQXPSAQHXUIF-CXAGYDPISA-N 0 1 392.402 3.966 20 5 GHBDMN COc1cccc(F)c1[C@@H](C)NCCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000129903938 859824330 /nfs/dbraw/zinc/82/43/30/859824330.db2.gz YOZUMXQMOOZOCE-LLVKDONJSA-N 0 1 379.363 3.561 20 5 GHBDMN Cc1c([C@@H](C)NCc2cccc(C(=O)NC[C@@H]3CCCO3)c2)cccc1[N+](=O)[O-] ZINC000154234752 860028239 /nfs/dbraw/zinc/02/82/39/860028239.db2.gz JWSCCOFSNPSBBD-APWZRJJASA-N 0 1 397.475 3.663 20 5 GHBDMN CC(=O)NC1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000092669092 860099487 /nfs/dbraw/zinc/09/94/87/860099487.db2.gz AUTURKDUGNDPRB-UHFFFAOYSA-N 0 1 377.828 3.609 20 5 GHBDMN Cn1cc(CN[C@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)c([N+](=O)[O-])n1 ZINC000602829702 860303939 /nfs/dbraw/zinc/30/39/39/860303939.db2.gz YQGKGTYRVWERJE-INIZCTEOSA-N 0 1 398.385 3.605 20 5 GHBDMN O=[N+]([O-])c1cnc(N2CCC(c3ncc(C(F)(F)F)[nH]3)CC2)c(Cl)c1 ZINC000301408726 860471353 /nfs/dbraw/zinc/47/13/53/860471353.db2.gz ISGBSRQSOBLZIV-UHFFFAOYSA-N 0 1 375.738 3.769 20 5 GHBDMN CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1cc(-c2ccccc2Cl)[nH]n1 ZINC000552615155 860546859 /nfs/dbraw/zinc/54/68/59/860546859.db2.gz XHLCBKDALBDOJI-UHFFFAOYSA-N 0 1 384.823 3.953 20 5 GHBDMN Cc1[nH]nc(C(=O)N2CCC[C@H]2c2cc(F)cc(Br)c2)c1[N+](=O)[O-] ZINC000331462590 860591907 /nfs/dbraw/zinc/59/19/07/860591907.db2.gz ASJSWXXYPJVDLE-LBPRGKRZSA-N 0 1 397.204 3.505 20 5 GHBDMN C[C@H](CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)N(C)Cc1ccccc1 ZINC000444005468 863115804 /nfs/dbraw/zinc/11/58/04/863115804.db2.gz RCYNFMCBYWSKES-QGZVFWFLSA-N 0 1 399.494 3.932 20 5 GHBDMN CCc1[nH]nc(C(=O)N2CCC[C@@H]2c2ccc(Br)cc2)c1[N+](=O)[O-] ZINC000444030739 863176271 /nfs/dbraw/zinc/17/62/71/863176271.db2.gz GODZPOYQPKATMY-CYBMUJFWSA-N 0 1 393.241 3.620 20 5 GHBDMN O=C(Nc1cccc(-c2nnc[nH]2)c1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444038222 863195721 /nfs/dbraw/zinc/19/57/21/863195721.db2.gz XPVOTNITYQKJRK-UHFFFAOYSA-N 0 1 381.395 3.719 20 5 GHBDMN CC[NH+](CC)Cc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000444064273 863265857 /nfs/dbraw/zinc/26/58/57/863265857.db2.gz VGNOHVVNFRRQPS-UHFFFAOYSA-N 0 1 377.466 3.546 20 5 GHBDMN O=C(NCC1CCN(Cc2ccccc2Cl)CC1)c1cccc([N+](=O)[O-])c1 ZINC000609312091 881775677 /nfs/dbraw/zinc/77/56/77/881775677.db2.gz YYFVNUYMFJSZJT-UHFFFAOYSA-N 0 1 387.867 3.890 20 5 GHBDMN CCS(=O)(=O)c1ccc(CNC/C(C)=C\c2cccc([N+](=O)[O-])c2)s1 ZINC000475224085 864604609 /nfs/dbraw/zinc/60/46/09/864604609.db2.gz MZBDNWPVEXCDEA-LCYFTJDESA-N 0 1 380.491 3.643 20 5 GHBDMN C[C@H](NC(=O)[C@H](C)N(C)CCc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000554846828 865010950 /nfs/dbraw/zinc/01/09/50/865010950.db2.gz JVMNJCAPANWDPN-GJZGRUSLSA-N 0 1 389.883 3.988 20 5 GHBDMN C[C@@H](C(=O)N1CCCN(Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000184913617 865043145 /nfs/dbraw/zinc/04/31/45/865043145.db2.gz HTHPADHTRBAGGH-MRXNPFEDSA-N 0 1 385.439 3.572 20 5 GHBDMN CCOC(=O)c1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])c(Cl)cc2C)cc1 ZINC000736420068 865202221 /nfs/dbraw/zinc/20/22/21/865202221.db2.gz DSRQMNQTTSCYFC-UHFFFAOYSA-N 0 1 398.824 3.534 20 5 GHBDMN CC[C@H](NCc1cccc(S(=O)(=O)NC(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000481021481 865693848 /nfs/dbraw/zinc/69/38/48/865693848.db2.gz IVHNHCMTTZKJKY-IBGZPJMESA-N 0 1 391.493 3.522 20 5 GHBDMN Cc1[nH]nc(C(=O)N2CCC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)c1[N+](=O)[O-] ZINC000440098502 865951561 /nfs/dbraw/zinc/95/15/61/865951561.db2.gz ONOPHHUSZGLMPF-LLVKDONJSA-N 0 1 399.234 3.617 20 5 GHBDMN O=C(CNCc1ccc(-c2ccccc2[N+](=O)[O-])s1)N1Cc2ccccc2C1 ZINC000475508962 866120114 /nfs/dbraw/zinc/12/01/14/866120114.db2.gz GASOEPXBUPUBMU-UHFFFAOYSA-N 0 1 393.468 3.955 20 5 GHBDMN C[C@H]1CN(Cc2ccccc2)CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000456352612 866475052 /nfs/dbraw/zinc/47/50/52/866475052.db2.gz YITVVOXRVRYHCV-INIZCTEOSA-N 0 1 393.443 3.935 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N2CCCC[C@H]2c2nc3ccccc3[nH]2)c1[N+](=O)[O-] ZINC000456630266 866902916 /nfs/dbraw/zinc/90/29/16/866902916.db2.gz BLOVVBIEDJWCGN-AWEZNQCLSA-N 0 1 382.424 3.685 20 5 GHBDMN O=C(NCc1ccc(OC2CCCCC2)nc1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000523364383 867172741 /nfs/dbraw/zinc/17/27/41/867172741.db2.gz DEGFMHDUQQYKAG-UHFFFAOYSA-N 0 1 395.419 3.508 20 5 GHBDMN CCCc1[nH]nc(C(=O)N2CCC(Cc3cc(F)ccc3F)CC2)c1[N+](=O)[O-] ZINC000456822025 867188524 /nfs/dbraw/zinc/18/85/24/867188524.db2.gz KPTMFWYRHWDXJW-UHFFFAOYSA-N 0 1 392.406 3.644 20 5 GHBDMN CC(C)(C)SCCNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000742289861 867197375 /nfs/dbraw/zinc/19/73/75/867197375.db2.gz NZWNKSWGQSXSAD-UHFFFAOYSA-N 0 1 387.310 3.712 20 5 GHBDMN CC(C)(C)OC(=O)CCCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000553517920 867578212 /nfs/dbraw/zinc/57/82/12/867578212.db2.gz CRHKRJWSACVSLI-UHFFFAOYSA-N 0 1 377.466 3.930 20 5 GHBDMN Cc1cc(C)n(-c2cccc(NS(=O)(=O)c3ccc([N+](=O)[O-])c(C)c3)c2)n1 ZINC000523731090 867863587 /nfs/dbraw/zinc/86/35/87/867863587.db2.gz ZSXVDEPSHFUACI-UHFFFAOYSA-N 0 1 386.433 3.507 20 5 GHBDMN Cc1ccc2nc([C@@H]3CCCN3C(=O)CCOc3ccccc3[N+](=O)[O-])[nH]c2c1 ZINC000195372442 882173411 /nfs/dbraw/zinc/17/34/11/882173411.db2.gz ATMPPQCIOVQONM-SFHVURJKSA-N 0 1 394.431 3.912 20 5 GHBDMN O=[N+]([O-])c1cc(Br)cc(-c2nc(-c3ccc(O)c(F)c3)no2)c1 ZINC000445480595 868505999 /nfs/dbraw/zinc/50/59/99/868505999.db2.gz GGULVSGDRJYGIV-UHFFFAOYSA-N 0 1 380.129 3.919 20 5 GHBDMN COc1ccc2c(c1)CCC[C@H]2N(C)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000554007480 868593099 /nfs/dbraw/zinc/59/30/99/868593099.db2.gz YPZQMVFQTFCDDL-GOSISDBHSA-N 0 1 380.404 3.629 20 5 GHBDMN Cc1sc(C(=O)Nc2nc(-c3ccc4ccccc4n3)n[nH]2)cc1[N+](=O)[O-] ZINC000609091930 869234833 /nfs/dbraw/zinc/23/48/33/869234833.db2.gz JTKGVPJFRUZGHN-UHFFFAOYSA-N 0 1 380.389 3.550 20 5 GHBDMN COc1ccc(-c2n[nH]c(S[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000022102011 869690329 /nfs/dbraw/zinc/69/03/29/869690329.db2.gz PWKNHOYQHQTICR-LLVKDONJSA-N 0 1 399.432 3.508 20 5 GHBDMN COC(=O)[C@@]1(C)CCN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000539824861 869831910 /nfs/dbraw/zinc/83/19/10/869831910.db2.gz MSVQUSAMKNCYMW-FQEVSTJZSA-N 0 1 388.395 3.911 20 5 GHBDMN O=C(Nc1ccccc1NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000539827246 869860290 /nfs/dbraw/zinc/86/02/90/869860290.db2.gz KIXSGXOHIGYXRS-UHFFFAOYSA-N 0 1 377.356 3.805 20 5 GHBDMN C[C@H](NCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])c1ccc(-n2cccn2)cc1 ZINC000775528911 870369302 /nfs/dbraw/zinc/36/93/02/870369302.db2.gz NKPKOPXETGBVJQ-ZDUSSCGKSA-N 0 1 399.838 3.723 20 5 GHBDMN CS(=O)(=O)[C@@H]1CCC[C@H](N[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000538713353 870387894 /nfs/dbraw/zinc/38/78/94/870387894.db2.gz DTYVFJDNGSETQJ-DFQSSKMNSA-N 0 1 388.489 3.630 20 5 GHBDMN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2c(F)cccc2N2CCCC2)c1C ZINC000152235538 870430369 /nfs/dbraw/zinc/43/03/69/870430369.db2.gz KRHZESMNOBSHOW-UHFFFAOYSA-N 0 1 393.440 3.752 20 5 GHBDMN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCOc2c(F)ccc(F)c21 ZINC000462941844 870467024 /nfs/dbraw/zinc/46/70/24/870467024.db2.gz KEQCBNNAKJSPFP-BDJLRTHQSA-N 0 1 391.374 3.704 20 5 GHBDMN Cc1ccc([C@H](C)N[C@@H]2CC(=O)N([C@@H]3C[C@H]3c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000540187863 870678959 /nfs/dbraw/zinc/67/89/59/870678959.db2.gz FSELSGDKXALPMT-DZJZLKLXSA-N 0 1 379.460 3.711 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCCC2(CCCCC2)CC1 ZINC001193437316 871084224 /nfs/dbraw/zinc/08/42/24/871084224.db2.gz CZKWZBDEAFELEN-UHFFFAOYSA-N 0 1 375.469 3.978 20 5 GHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC(OCC2CCCCC2)CC1 ZINC000525683422 871191380 /nfs/dbraw/zinc/19/13/80/871191380.db2.gz KWSHOSIQDUOQHL-UHFFFAOYSA-N 0 1 386.452 3.673 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000539089012 871284159 /nfs/dbraw/zinc/28/41/59/871284159.db2.gz HSUQAJWSCUPAJL-AXNOTKAXSA-N 0 1 379.460 3.711 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@](C)(c2ccccc2)CC1 ZINC001194260013 871595954 /nfs/dbraw/zinc/59/59/54/871595954.db2.gz CCBWBOXCKPPMCG-QFIPXVFZSA-N 0 1 397.475 3.986 20 5 GHBDMN C[C@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001169527459 871607716 /nfs/dbraw/zinc/60/77/16/871607716.db2.gz MPJAWIFPZASCTR-IFXJQAMLSA-N 0 1 387.867 3.889 20 5 GHBDMN O=[N+]([O-])c1ccc2[nH]c(N3CCC[C@@H]3c3n[nH]c(-c4ccccc4)n3)nc2c1 ZINC000447688744 872121383 /nfs/dbraw/zinc/12/13/83/872121383.db2.gz HXTGMOIQWXEOGO-MRXNPFEDSA-N 0 1 375.392 3.598 20 5 GHBDMN O=[N+]([O-])c1ccc2[nH]c(N3CCC[C@@H]3c3nc(-c4ccccc4)n[nH]3)nc2c1 ZINC000447688744 872121398 /nfs/dbraw/zinc/12/13/98/872121398.db2.gz HXTGMOIQWXEOGO-MRXNPFEDSA-N 0 1 375.392 3.598 20 5 GHBDMN COc1c(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000619434394 872646634 /nfs/dbraw/zinc/64/66/34/872646634.db2.gz RXCAWEKDRIYNDN-GOSISDBHSA-N 0 1 383.448 3.560 20 5 GHBDMN CCCCOc1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2OC)c(C)c1 ZINC000619466875 872663079 /nfs/dbraw/zinc/66/30/79/872663079.db2.gz ANLGCBHPSWDNSX-UHFFFAOYSA-N 0 1 394.449 3.892 20 5 GHBDMN COc1ccc(NC(=O)[C@@H](C)N[C@H](C)c2cc(C)sc2C)c([N+](=O)[O-])c1 ZINC000182756495 872754687 /nfs/dbraw/zinc/75/46/87/872754687.db2.gz OBEJSJLRWBPODF-VXGBXAGGSA-N 0 1 377.466 3.960 20 5 GHBDMN O=[N+]([O-])c1cccc(OCCN2CCC[C@@H](Oc3ccc(C4CC4)cn3)C2)c1 ZINC001196573128 873231236 /nfs/dbraw/zinc/23/12/36/873231236.db2.gz FJENDVDVZVAKBZ-HXUWFJFHSA-N 0 1 383.448 3.789 20 5 GHBDMN Cc1ccc(CN[C@](C)(CO)c2cccc([N+](=O)[O-])c2)cc1Br ZINC001196908635 873474242 /nfs/dbraw/zinc/47/42/42/873474242.db2.gz SGAKSHZGCIACED-QGZVFWFLSA-N 0 1 379.254 3.663 20 5 GHBDMN O=C(CN[C@@H]1CC=CC[C@H]1C(F)(F)F)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001197185944 873618945 /nfs/dbraw/zinc/61/89/45/873618945.db2.gz VRLGXCYLXMPTAS-ZYHUDNBSSA-N 0 1 377.750 3.673 20 5 GHBDMN COc1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1OC1CCCC1 ZINC000768867414 873631042 /nfs/dbraw/zinc/63/10/42/873631042.db2.gz WZJCCFTVBFFNAT-UHFFFAOYSA-N 0 1 398.462 3.787 20 5 GHBDMN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(OC3CCCC3)c(F)c2)cs1 ZINC000768887089 873648986 /nfs/dbraw/zinc/64/89/86/873648986.db2.gz HHWWSMRHSBXAAW-UHFFFAOYSA-N 0 1 386.426 3.918 20 5 GHBDMN Cc1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1Br ZINC000768864972 873667826 /nfs/dbraw/zinc/66/78/26/873667826.db2.gz GBWWZQYZCGFTNV-UHFFFAOYSA-N 0 1 377.241 3.528 20 5 GHBDMN CCc1ccc([C@H](NC[C@H](CO)Cc2ccco2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541544941 873806465 /nfs/dbraw/zinc/80/64/65/873806465.db2.gz ATIZYSFZXKTKSY-QVKFZJNVSA-N 0 1 384.432 3.873 20 5 GHBDMN CN(C)[C@H](CNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000448752218 873921181 /nfs/dbraw/zinc/92/11/81/873921181.db2.gz UMNRTHVLWCUPCT-MRXNPFEDSA-N 0 1 399.344 3.785 20 5 GHBDMN Cc1ccc(C(=O)Nc2nc3ccc(Br)cc3[nH]2)cc1[N+](=O)[O-] ZINC000464576244 874107043 /nfs/dbraw/zinc/10/70/43/874107043.db2.gz DIIBWPMSBLIHEC-UHFFFAOYSA-N 0 1 375.182 3.794 20 5 GHBDMN CN(C)[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1)c1ccc(F)cc1 ZINC000770018454 874406285 /nfs/dbraw/zinc/40/62/85/874406285.db2.gz YNQAYKSZRXBIAO-INIZCTEOSA-N 0 1 380.807 3.812 20 5 GHBDMN Cc1c(CN2CCC[C@@]23CCN(C(=O)OC(C)(C)C)C3)cccc1[N+](=O)[O-] ZINC001198555443 874500557 /nfs/dbraw/zinc/50/05/57/874500557.db2.gz ZALBELGMMZYSKU-FQEVSTJZSA-N 0 1 375.469 3.879 20 5 GHBDMN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(SC(F)F)nc2)c1C ZINC000771135594 875066807 /nfs/dbraw/zinc/06/68/07/875066807.db2.gz LEPNLTPBOXEWGO-UHFFFAOYSA-N 0 1 389.405 3.722 20 5 GHBDMN CN(C)C(=O)N[C@H]1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000449747912 875343642 /nfs/dbraw/zinc/34/36/42/875343642.db2.gz YTMVZKKVDNDYDZ-HNNXBMFYSA-N 0 1 388.493 3.559 20 5 GHBDMN Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)OCCOc1ccccc1[N+](=O)[O-] ZINC000772101918 875731342 /nfs/dbraw/zinc/73/13/42/875731342.db2.gz GXFVSLFAMPNQNK-UHFFFAOYSA-N 0 1 381.388 3.838 20 5 GHBDMN Cc1ccc(CN[C@@H]2CCCN([C@H](C)c3ccc(F)cc3)C2=O)cc1[N+](=O)[O-] ZINC000549910536 875853232 /nfs/dbraw/zinc/85/32/32/875853232.db2.gz GCUBYZVDYREBBB-DNVCBOLYSA-N 0 1 385.439 3.884 20 5 GHBDMN CCc1ccc([C@H](NCCCNC(=O)C2CCC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542495310 883005192 /nfs/dbraw/zinc/00/51/92/883005192.db2.gz VJJFCKHSLMBOPH-HXUWFJFHSA-N 0 1 385.464 3.736 20 5 GHBDMN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccccc1OCC(F)(F)F ZINC000030530401 876204051 /nfs/dbraw/zinc/20/40/51/876204051.db2.gz BTPFOLUWPDEXNF-UHFFFAOYSA-N 0 1 390.339 3.645 20 5 GHBDMN O=C(NCC1CCN(Cc2ccccc2[N+](=O)[O-])CC1)OCc1ccccc1 ZINC000786108846 876450597 /nfs/dbraw/zinc/45/05/97/876450597.db2.gz MNUGZENFZKXZEM-UHFFFAOYSA-N 0 1 383.448 3.733 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000054348082 876491906 /nfs/dbraw/zinc/49/19/06/876491906.db2.gz YBAKNFLJHASTDZ-HOCLYGCPSA-N 0 1 384.436 3.560 20 5 GHBDMN O=C(NC[C@H]1CCN1C1CCCCC1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000529716926 876578838 /nfs/dbraw/zinc/57/88/38/876578838.db2.gz DMAPZYJCPQTVTC-GOSISDBHSA-N 0 1 389.499 3.818 20 5 GHBDMN Cc1cc(N2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000450659636 876744523 /nfs/dbraw/zinc/74/45/23/876744523.db2.gz QWMAMCNFYNBCRX-RXVVDRJESA-N 0 1 381.407 3.756 20 5 GHBDMN O=C(OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCCN1C1CCCC1 ZINC000786878579 877001358 /nfs/dbraw/zinc/00/13/58/877001358.db2.gz FRKWAOHIBUZXAL-SFHVURJKSA-N 0 1 385.420 3.700 20 5 GHBDMN CN(C)[C@H](CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000746635531 877159367 /nfs/dbraw/zinc/15/93/67/877159367.db2.gz HVBZMFODIOGGEL-MRXNPFEDSA-N 0 1 382.247 3.934 20 5 GHBDMN CN(C)[C@@H](CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000746635528 877159432 /nfs/dbraw/zinc/15/94/32/877159432.db2.gz HVBZMFODIOGGEL-INIZCTEOSA-N 0 1 382.247 3.934 20 5 GHBDMN CCOc1cc(CN2CCC(C(=O)Nc3ccc(C)cn3)CC2)ccc1[N+](=O)[O-] ZINC000492650181 877283090 /nfs/dbraw/zinc/28/30/90/877283090.db2.gz IOLAECYSAPYFQZ-UHFFFAOYSA-N 0 1 398.463 3.548 20 5 GHBDMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000610036237 877356502 /nfs/dbraw/zinc/35/65/02/877356502.db2.gz RYUHRSGPQTYVGI-UHFFFAOYSA-N 0 1 396.491 3.571 20 5 GHBDMN C[C@H](NCC(=O)N(C)Cc1ccc(OC(F)F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000451100704 877393776 /nfs/dbraw/zinc/39/37/76/877393776.db2.gz WVACXQALHGNDCU-ZDUSSCGKSA-N 0 1 393.390 3.505 20 5 GHBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[N@@H+](C)[C@H](Cc2ccccc2)C1 ZINC001170075491 877501326 /nfs/dbraw/zinc/50/13/26/877501326.db2.gz RDRPCRHJPWMUQY-OAQYLSRUSA-N 0 1 383.492 3.741 20 5 GHBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCN(C)[C@H](Cc2ccccc2)C1 ZINC001170075491 877501338 /nfs/dbraw/zinc/50/13/38/877501338.db2.gz RDRPCRHJPWMUQY-OAQYLSRUSA-N 0 1 383.492 3.741 20 5 GHBDMN Cc1ccc(NC(=O)[C@@H](N[C@H]2CCOC2(C)C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000451240541 877640313 /nfs/dbraw/zinc/64/03/13/877640313.db2.gz HVHLRJATZYKFLB-OALUTQOASA-N 0 1 383.448 3.740 20 5 GHBDMN COc1cccc([C@@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)N(C)C)c1 ZINC000787810567 877676585 /nfs/dbraw/zinc/67/65/85/877676585.db2.gz GTOWAXCLOVTURG-MRXNPFEDSA-N 0 1 392.843 3.681 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CNC(C)(C)c1cccc(Cl)c1 ZINC000179601947 877742465 /nfs/dbraw/zinc/74/24/65/877742465.db2.gz HMUONPMDCLQENR-UHFFFAOYSA-N 0 1 377.828 3.720 20 5 GHBDMN CC(C)(CO)[C@@H](NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000788004619 877769802 /nfs/dbraw/zinc/76/98/02/877769802.db2.gz RINPXIDHDCUTKL-SFHVURJKSA-N 0 1 391.855 3.536 20 5 GHBDMN O=C(N[C@@H]1CCc2nc(C3CCCCC3)[nH]c2C1)c1ccc([N+](=O)[O-])cc1F ZINC000788240795 877939774 /nfs/dbraw/zinc/93/97/74/877939774.db2.gz FAUPFSWGXRSVKL-CYBMUJFWSA-N 0 1 386.427 3.792 20 5 GHBDMN COc1ccc(Br)cc1CN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788673759 878235377 /nfs/dbraw/zinc/23/53/77/878235377.db2.gz XRCJSGVONZFJQY-SNVBAGLBSA-N 0 1 380.242 3.799 20 5 GHBDMN Cc1ccc([C@H](C)N[C@@H]2CC(=O)N(c3c(F)cccc3F)C2)cc1[N+](=O)[O-] ZINC000537767514 878265199 /nfs/dbraw/zinc/26/51/99/878265199.db2.gz NQNJYNSBKCOUDX-GXTWGEPZSA-N 0 1 375.375 3.638 20 5 GHBDMN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCc1cccc(OC(C)(C)C)n1 ZINC000537945720 878601565 /nfs/dbraw/zinc/60/15/65/878601565.db2.gz WONNFHNLJCHQSK-CQSZACIVSA-N 0 1 386.452 3.674 20 5 GHBDMN C[C@@H](N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1OC(F)F ZINC000538144913 878893498 /nfs/dbraw/zinc/89/34/98/878893498.db2.gz NVPJMNDZMTZPKL-NEPJUHHUSA-N 0 1 379.363 3.874 20 5 GHBDMN CN(C)[C@@H](CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1ccc(Cl)cc1 ZINC000531068032 879059956 /nfs/dbraw/zinc/05/99/56/879059956.db2.gz HBMRAFVRSGZMFE-KRWDZBQOSA-N 0 1 386.839 3.762 20 5 GHBDMN COc1ccc(C[C@@H](C)CN(C)Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)cc1 ZINC000853505401 879071192 /nfs/dbraw/zinc/07/11/92/879071192.db2.gz WKANMENBYIOKBR-MRXNPFEDSA-N 0 1 395.463 3.630 20 5 GHBDMN O=C(N[C@@H]1CCc2nc[nH]c2C1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000461087428 879106908 /nfs/dbraw/zinc/10/69/08/879106908.db2.gz ZCHVIDMICDIFAB-CYBMUJFWSA-N 0 1 394.456 3.756 20 5 GHBDMN O=C(NCc1nc2ccc(F)cc2[nH]1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000538387257 879397483 /nfs/dbraw/zinc/39/74/83/879397483.db2.gz MEQMYZBHGSLXTD-UHFFFAOYSA-N 0 1 391.362 3.602 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000152688691 879574939 /nfs/dbraw/zinc/57/49/39/879574939.db2.gz AIWNSTSGLPSPES-QGZVFWFLSA-N 0 1 377.404 3.666 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000152688691 879574952 /nfs/dbraw/zinc/57/49/52/879574952.db2.gz AIWNSTSGLPSPES-QGZVFWFLSA-N 0 1 377.404 3.666 20 5 GHBDMN COc1cc(C(=O)N[C@@H](C)c2nc3ccc(Cl)cc3[nH]2)cc([N+](=O)[O-])c1C ZINC000790630549 879870183 /nfs/dbraw/zinc/87/01/83/879870183.db2.gz LETDMECTHCEHMJ-JTQLQIEISA-N 0 1 388.811 3.933 20 5 GHBDMN O=C(NCc1nc2ccc(Cl)cc2[nH]1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000609489628 883254420 /nfs/dbraw/zinc/25/44/20/883254420.db2.gz YFAHOYVFADKQDY-UHFFFAOYSA-N 0 1 399.838 3.655 20 5 GHBDMN C[C@H](CCc1ccccc1[N+](=O)[O-])N[C@@H](C)c1ncc(Br)cn1 ZINC000551212165 883490436 /nfs/dbraw/zinc/49/04/36/883490436.db2.gz UGBIIIUYWGVNKX-NEPJUHHUSA-N 0 1 379.258 3.819 20 5 GHBDMN C[C@@H](c1ccccc1)[C@H](CO)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000609708122 883566479 /nfs/dbraw/zinc/56/64/79/883566479.db2.gz HIJKGYBMCQWJIE-LIRRHRJNSA-N 0 1 383.473 3.973 20 5 GHBDMN O=[N+]([O-])c1cc(F)cc(NS(=O)(=O)c2ccc(CC(F)(F)F)cc2)c1 ZINC000475786938 883801877 /nfs/dbraw/zinc/80/18/77/883801877.db2.gz CNKCXADGVHRXJF-UHFFFAOYSA-N 0 1 378.303 3.640 20 5 GHBDMN CC(C)CC[C@@H]1CCCCN1CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000760409314 884069160 /nfs/dbraw/zinc/06/91/60/884069160.db2.gz QWJODQAKHQOWFE-INIZCTEOSA-N 0 1 388.468 3.612 20 5 GHBDMN CC(C)CC[C@H]1CCCCN1CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000760409316 884070081 /nfs/dbraw/zinc/07/00/81/884070081.db2.gz QWJODQAKHQOWFE-MRXNPFEDSA-N 0 1 388.468 3.612 20 5 GHBDMN CCOc1ccc(Br)cc1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000476233016 884287517 /nfs/dbraw/zinc/28/75/17/884287517.db2.gz OOQGHMBEOUBAJD-UHFFFAOYSA-N 0 1 381.182 3.714 20 5 GHBDMN C[C@H]1CCC[C@H](C)N1CC(N)=NOCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000842049035 884649550 /nfs/dbraw/zinc/64/95/50/884649550.db2.gz NPPZEEGHKBJUJZ-KBPBESRZSA-N 0 1 387.440 3.511 20 5 GHBDMN Cc1cc(Cl)c(S(=O)(=O)Nc2ccc(-c3ncc[nH]3)cc2)cc1[N+](=O)[O-] ZINC000176582807 884841670 /nfs/dbraw/zinc/84/16/70/884841670.db2.gz RSFXPKZDUDNQKN-UHFFFAOYSA-N 0 1 392.824 3.748 20 5 GHBDMN Cc1ccc2nc(CNC(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)[nH]c2c1 ZINC000556433703 884879547 /nfs/dbraw/zinc/87/95/47/884879547.db2.gz IAFUYIRLYKSIDL-UHFFFAOYSA-N 0 1 378.310 3.728 20 5 GHBDMN CN(C)c1cccc([C@@H]2CCCN2Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000117864360 885113620 /nfs/dbraw/zinc/11/36/20/885113620.db2.gz ZVRVSVLZPHYOSV-FQEVSTJZSA-N 0 1 392.463 3.714 20 5 GHBDMN Cc1ccccc1CN1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000915170247 885934618 /nfs/dbraw/zinc/93/46/18/885934618.db2.gz QIKLCRMHIYFDKG-UHFFFAOYSA-N 0 1 387.867 3.905 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H](c2ccccc2C)C[C@H]1C ZINC000532587315 886189037 /nfs/dbraw/zinc/18/90/37/886189037.db2.gz YEZXZPMJDMUPIV-CVEARBPZSA-N 0 1 383.448 3.728 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H](c2ccccc2C)C[C@H]1C ZINC000532587315 886189044 /nfs/dbraw/zinc/18/90/44/886189044.db2.gz YEZXZPMJDMUPIV-CVEARBPZSA-N 0 1 383.448 3.728 20 5 GHBDMN COc1cc(CN2CCCC3(CCOCC3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000266041393 886501815 /nfs/dbraw/zinc/50/18/15/886501815.db2.gz WCMRKMURAIXTHL-UHFFFAOYSA-N 0 1 386.395 3.597 20 5 GHBDMN CN(C)Cc1ccc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)cc1F ZINC000762609834 886510792 /nfs/dbraw/zinc/51/07/92/886510792.db2.gz ATOHBXBLEWLDFL-UHFFFAOYSA-N 0 1 377.391 3.851 20 5 GHBDMN CC(C)(C)c1ccc(C(=O)NC2CCN(Cc3cccnc3)CC2)cc1[N+](=O)[O-] ZINC000192576253 886677541 /nfs/dbraw/zinc/67/75/41/886677541.db2.gz XFHRVSABKXIAQV-UHFFFAOYSA-N 0 1 396.491 3.682 20 5 GHBDMN CC1(C)C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)Cc2ccccc2O1 ZINC000808791019 886787450 /nfs/dbraw/zinc/78/74/50/886787450.db2.gz DTZZYCFAOKAZIE-UHFFFAOYSA-N 0 1 387.411 3.736 20 5 GHBDMN Cc1c(NC(=O)N(C)C2CCN(CCC(F)(F)F)CC2)cccc1[N+](=O)[O-] ZINC000454210555 886801202 /nfs/dbraw/zinc/80/12/02/886801202.db2.gz ZFBKVLMQGIZCHP-UHFFFAOYSA-N 0 1 388.390 3.784 20 5 GHBDMN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000863237635 886951497 /nfs/dbraw/zinc/95/14/97/886951497.db2.gz DAGKMVZLSNVVAM-YTQUADARSA-N 0 1 388.427 3.861 20 5 GHBDMN O=[N+]([O-])c1cccc(OC[C@@H](O)CN[C@@H](c2ccccc2)c2ccc(F)cc2)c1 ZINC000532703198 888350668 /nfs/dbraw/zinc/35/06/68/888350668.db2.gz JRBMQJOHDBCUCV-UNMCSNQZSA-N 0 1 396.418 3.853 20 5 GHBDMN Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000153378040 888375721 /nfs/dbraw/zinc/37/57/21/888375721.db2.gz KMFWFIUOCMVMPF-MRVPVSSYSA-N 0 1 391.840 3.894 20 5 GHBDMN COc1ccc(CN[C@H](C)c2ccnn2C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000865839586 888604439 /nfs/dbraw/zinc/60/44/39/888604439.db2.gz OFHLBIYSSRZJHU-OAHLLOKOSA-N 0 1 396.447 3.767 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@H](c2ccccc2)CC1 ZINC000532940886 889342497 /nfs/dbraw/zinc/34/24/97/889342497.db2.gz FIIWFAXIYNHKEN-KRWDZBQOSA-N 0 1 383.448 3.812 20 5 GHBDMN CC[C@@H](c1ccccc1)N(CC)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000533256373 890109923 /nfs/dbraw/zinc/10/99/23/890109923.db2.gz OFLFWLCPMQYIIR-INIZCTEOSA-N 0 1 385.420 3.735 20 5 GHBDMN COc1ccc(NC(=O)[C@H](C)N2C[C@@H](c3ccccc3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000533297971 890237628 /nfs/dbraw/zinc/23/76/28/890237628.db2.gz RHASGYKTIKNLMQ-ZOBUZTSGSA-N 0 1 383.448 3.808 20 5 GHBDMN CCN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H](C)[C@@H](O)c1ccccc1 ZINC000812847845 891037742 /nfs/dbraw/zinc/03/77/42/891037742.db2.gz FRBPHLJESWGBFG-AUUYWEPGSA-N 0 1 382.420 3.589 20 5 GHBDMN Cc1c(NC(=O)[C@H](C)N[C@H](C)c2ccc(C(F)(F)F)nc2)cccc1[N+](=O)[O-] ZINC000871935086 891092239 /nfs/dbraw/zinc/09/22/39/891092239.db2.gz QTEZATCDZUUUHV-NEPJUHHUSA-N 0 1 396.369 3.995 20 5 GHBDMN C[C@@H](NCC1(C(=O)OC(C)(C)C)CCOCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872082463 891145835 /nfs/dbraw/zinc/14/58/35/891145835.db2.gz WLKNQKFVYUJWHL-CYBMUJFWSA-N 0 1 382.432 3.523 20 5 GHBDMN Cc1ccc([N+](=O)[O-])c(C)c1CNCc1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000873022239 891433208 /nfs/dbraw/zinc/43/32/08/891433208.db2.gz LKWQRIUVJGNNCT-HXUWFJFHSA-N 0 1 383.448 3.619 20 5 GHBDMN COc1ccc(-c2ccc(CN[C@@](C)(CO)c3ccccc3)o2)c([N+](=O)[O-])c1 ZINC000237439334 891798755 /nfs/dbraw/zinc/79/87/55/891798755.db2.gz VGANARRXSVHWCR-NRFANRHFSA-N 0 1 382.416 3.861 20 5 GHBDMN Cc1cc(C)cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)c1 ZINC000918146157 893227714 /nfs/dbraw/zinc/22/77/14/893227714.db2.gz QOCJAMWZLUGCEY-UHFFFAOYSA-N 0 1 385.239 3.775 20 5 GHBDMN O=[N+]([O-])c1ccc(N2CCN(C[C@H](O)c3cccc4ccccc43)CC2)cc1 ZINC000815009358 893333189 /nfs/dbraw/zinc/33/31/89/893333189.db2.gz HGTMAOTYRVLSJG-QFIPXVFZSA-N 0 1 377.444 3.604 20 5 GHBDMN O=C1C[C@]2(CN1)CCCN(Cc1ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c1)C2 ZINC000536681641 893492713 /nfs/dbraw/zinc/49/27/13/893492713.db2.gz ORYLXTROGZZFSJ-NRFANRHFSA-N 0 1 399.422 3.628 20 5 GHBDMN COc1cc(CN2CC3(C2)CCOCC3)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000459623987 893916817 /nfs/dbraw/zinc/91/68/17/893916817.db2.gz SMGXKKRJJMSJBP-UHFFFAOYSA-N 0 1 398.459 3.795 20 5 GHBDMN Cc1ccc(NS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1F ZINC000760335580 895210618 /nfs/dbraw/zinc/21/06/18/895210618.db2.gz UCOPDULMSYLWBP-UHFFFAOYSA-N 0 1 389.202 3.606 20 5 GHBDMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000023657356 895452152 /nfs/dbraw/zinc/45/21/52/895452152.db2.gz OUCAXABYQQOBAD-UHFFFAOYSA-N 0 1 388.855 3.561 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H](C)c1ccc(C(F)(F)F)nc1 ZINC000880101457 895514519 /nfs/dbraw/zinc/51/45/19/895514519.db2.gz HVTINZLNQIDYIL-NSHDSACASA-N 0 1 382.342 3.606 20 5 GHBDMN COc1ccc(C[C@H]2CCCN(CC(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)cc1 ZINC000565924717 895984015 /nfs/dbraw/zinc/98/40/15/895984015.db2.gz ZFVQMBMKAQJNCE-GOSISDBHSA-N 0 1 397.475 3.805 20 5 GHBDMN Cc1cc(N2CC[N@@H+](Cc3ccccc3)C[C@@H](C)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000566290903 896218261 /nfs/dbraw/zinc/21/82/61/896218261.db2.gz MDTVQDHKYXFXNS-OAHLLOKOSA-N 0 1 383.448 3.560 20 5 GHBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@H](c2ccncc2)C1 ZINC000289338528 914147243 /nfs/dbraw/zinc/14/72/43/914147243.db2.gz LOMPUCIHCPKZTG-PBHICJAKSA-N 0 1 379.420 3.980 20 5 GHBDMN O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)Nc2cc(F)ccc2F)c1Cl ZINC000821118674 897720700 /nfs/dbraw/zinc/72/07/00/897720700.db2.gz FGSSEQNREUMOAX-UHFFFAOYSA-N 0 1 383.159 3.981 20 5 GHBDMN O=C1C[C@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CN1c1ccccc1F ZINC001202569695 898139258 /nfs/dbraw/zinc/13/92/58/898139258.db2.gz HYQPWLMWNTTYLU-AWEZNQCLSA-N 0 1 395.390 3.889 20 5 GHBDMN O=C(NC[C@@H](c1ccco1)N1CCCCC1)Nc1ccc([N+](=O)[O-])cc1F ZINC000569157624 898376573 /nfs/dbraw/zinc/37/65/73/898376573.db2.gz YAHOZNDHSBGWAQ-INIZCTEOSA-N 0 1 376.388 3.676 20 5 GHBDMN CN(Cc1ccc(O)cc1)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000569866345 898993034 /nfs/dbraw/zinc/99/30/34/898993034.db2.gz GLOFINGEMVHNKW-UHFFFAOYSA-N 0 1 398.200 3.537 20 5 GHBDMN Cc1cc([N+](=O)[O-])c(C)cc1NS(=O)(=O)c1ccc(OC(F)F)c(F)c1 ZINC000570592233 899416210 /nfs/dbraw/zinc/41/62/10/899416210.db2.gz KKZOWOUJOUIAPL-UHFFFAOYSA-N 0 1 390.339 3.753 20 5 GHBDMN C[C@@H](c1ccccc1Br)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000332443304 899673869 /nfs/dbraw/zinc/67/38/69/899673869.db2.gz JPSXEUHEDKNUDC-LBPRGKRZSA-N 0 1 379.258 3.952 20 5 GHBDMN C[C@H](c1cccc(Br)c1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000332449032 899678148 /nfs/dbraw/zinc/67/81/48/899678148.db2.gz LVWWPICWULCOGM-GFCCVEGCSA-N 0 1 379.258 3.952 20 5 GHBDMN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000571203152 899782113 /nfs/dbraw/zinc/78/21/13/899782113.db2.gz QZCVMVWJXKKLHQ-WCBMZHEXSA-N 0 1 386.779 3.648 20 5 GHBDMN O=C([O-])CCC[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)Cc1ccccc1 ZINC000571649812 899936622 /nfs/dbraw/zinc/93/66/22/899936622.db2.gz VZGMXXRBMGBSFW-UHFFFAOYSA-N 0 1 396.403 3.512 20 5 GHBDMN O=C([O-])CCC[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)Cc1ccccc1 ZINC000571649812 899936627 /nfs/dbraw/zinc/93/66/27/899936627.db2.gz VZGMXXRBMGBSFW-UHFFFAOYSA-N 0 1 396.403 3.512 20 5 GHBDMN O=C([O-])/C=C\c1ccc(NC[C@@H]2CCC[N@H+]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000844211791 900604998 /nfs/dbraw/zinc/60/49/98/900604998.db2.gz ZHPGVDVKDYLUHE-FYGXRCCRSA-N 0 1 381.432 3.769 20 5 GHBDMN O=[N+]([O-])c1ncccc1CN[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC000886204378 900885197 /nfs/dbraw/zinc/88/51/97/900885197.db2.gz CUGKANPIXZXDCZ-KRWDZBQOSA-N 0 1 381.354 3.500 20 5 GHBDMN Cc1ccc2nc(CNC(=O)c3c([N+](=O)[O-])cccc3C(F)(F)F)[nH]c2c1 ZINC000575095660 901118739 /nfs/dbraw/zinc/11/87/39/901118739.db2.gz OEPPMRSDNNLGHM-UHFFFAOYSA-N 0 1 378.310 3.728 20 5 GHBDMN CC(=O)N(C)C1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000092538048 901498410 /nfs/dbraw/zinc/49/84/10/901498410.db2.gz ZIKABIHPNSMXEU-UHFFFAOYSA-N 0 1 391.855 3.951 20 5 GHBDMN O=C([O-])/C=C/c1ccc(OCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000846236183 902809126 /nfs/dbraw/zinc/80/91/26/902809126.db2.gz HONFFKUIVPGFMX-KPKJPENVSA-N 0 1 382.416 3.736 20 5 GHBDMN C[C@H]1CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)[C@@H](c2ccccc2)CO1 ZINC001148070248 903960422 /nfs/dbraw/zinc/96/04/22/903960422.db2.gz WOMSGYQIWKEOCU-VBKZILBWSA-N 0 1 392.415 3.587 20 5 GHBDMN O=C(CN1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000578975906 904272475 /nfs/dbraw/zinc/27/24/75/904272475.db2.gz HZOSIUCGABSDJI-YXJHDRRASA-N 0 1 395.887 3.592 20 5 GHBDMN COC(=O)C1(Nc2c(C)cccc2[N+](=O)[O-])CCN(Cc2ccccc2)CC1 ZINC001171507022 904784293 /nfs/dbraw/zinc/78/42/93/904784293.db2.gz NSOSRFQJKWMENA-UHFFFAOYSA-N 0 1 383.448 3.523 20 5 GHBDMN CN1C(=O)C[C@@H](NCc2ccc([N+](=O)[O-])c(F)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000801552082 921124809 /nfs/dbraw/zinc/12/48/09/921124809.db2.gz YBEMMGLQYLNDEW-CRAIPNDOSA-N 0 1 395.793 3.588 20 5 GHBDMN O=[N+]([O-])c1ccc2c(c1)CC[C@H](N1CCO[C@@H](COc3ccccc3)C1)CC2 ZINC001172920040 905990321 /nfs/dbraw/zinc/99/03/21/905990321.db2.gz IAZIYFNSXSJLJC-DENIHFKCSA-N 0 1 382.460 3.622 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C[C@H](C)N[C@@H](c2ncccc2F)C2CC2)c1F ZINC001173178095 906256096 /nfs/dbraw/zinc/25/60/96/906256096.db2.gz HKKQNNXNWWSYTL-BBATYDOGSA-N 0 1 377.391 3.949 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CC[C@H](Oc3cccc(C)n3)C2)c1F ZINC001173191487 906274062 /nfs/dbraw/zinc/27/40/62/906274062.db2.gz CNLPCENZEADORT-GJZGRUSLSA-N 0 1 389.427 3.530 20 5 GHBDMN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](NC(=O)c2ccccc2F)C1 ZINC001173238540 906350767 /nfs/dbraw/zinc/35/07/67/906350767.db2.gz VAQAJDKZCOJFAT-NVXWUHKLSA-N 0 1 385.439 3.559 20 5 GHBDMN O=[N+]([O-])c1ccn(C2CCN(Cc3ccccc3OCc3ccccn3)CC2)n1 ZINC000365950540 921263258 /nfs/dbraw/zinc/26/32/58/921263258.db2.gz NHIJTPDEGINWMO-UHFFFAOYSA-N 0 1 393.447 3.602 20 5 GHBDMN Cn1cc(CNCc2ccc(OC(C)(C)C)nc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000180883581 906870538 /nfs/dbraw/zinc/87/05/38/906870538.db2.gz QWMIJNGTUJELMW-UHFFFAOYSA-N 0 1 395.463 3.857 20 5 GHBDMN Cc1ccc([C@@H](C)NCC(=O)Nc2ccccc2OC(F)F)cc1[N+](=O)[O-] ZINC000181821442 907086583 /nfs/dbraw/zinc/08/65/83/907086583.db2.gz HPGPYZWIUYSVMF-GFCCVEGCSA-N 0 1 379.363 3.794 20 5 GHBDMN Cc1ccc(CN2CC[C@H](NC(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC001174832233 907229750 /nfs/dbraw/zinc/22/97/50/907229750.db2.gz KTQQVMSEIMXLAD-AEFFLSMTSA-N 0 1 399.516 3.775 20 5 GHBDMN C[C@H](N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000192024601 907367138 /nfs/dbraw/zinc/36/71/38/907367138.db2.gz DEAPAVNWNSCHNW-JBBXEZCESA-N 0 1 389.839 3.695 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2cnn(CN3CC[C@H](COc4ccccc4)C3)c2)c1 ZINC000779886485 909060136 /nfs/dbraw/zinc/06/01/36/909060136.db2.gz WWUSBPQOXSINJA-KRWDZBQOSA-N 0 1 378.432 3.817 20 5 GHBDMN CCOc1ccc([C@H](C)N[C@@H](C)c2ccc3c(c2)CC(=O)N3C)cc1[N+](=O)[O-] ZINC000271028031 910761047 /nfs/dbraw/zinc/76/10/47/910761047.db2.gz BMIVQLGBTOGQOF-KBPBESRZSA-N 0 1 383.448 3.924 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2nc(CN3CC[C@@](CO)(c4ccccc4)C3)cs2)c1 ZINC000291175594 915019059 /nfs/dbraw/zinc/01/90/59/915019059.db2.gz FCCGQNIXQFKVRH-OAQYLSRUSA-N 0 1 395.484 3.854 20 5 GHBDMN O=C(N[C@@H]1CN(c2ccsc2[N+](=O)[O-])CC[C@@H]1c1ccccc1)C(F)(F)F ZINC001187091301 915029135 /nfs/dbraw/zinc/02/91/35/915029135.db2.gz PRYOCALPWDZBTA-CHWSQXEVSA-N 0 1 399.394 3.697 20 5 GHBDMN C[C@H]1C[C@H](c2ccc(F)cc2)CN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000303705066 915061989 /nfs/dbraw/zinc/06/19/89/915061989.db2.gz BQELCYSPXPPANA-YOEHRIQHSA-N 0 1 383.423 3.501 20 5 GHBDMN CCOc1ccc2nc(SCC(=O)Nc3c(C)cccc3[N+](=O)[O-])[nH]c2c1 ZINC000005667473 915665849 /nfs/dbraw/zinc/66/58/49/915665849.db2.gz PVQJBIRDSNQVPB-UHFFFAOYSA-N 0 1 386.433 3.909 20 5 GHBDMN CCOc1cccc([C@H](C)NCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000775215334 916375345 /nfs/dbraw/zinc/37/53/45/916375345.db2.gz UCQBAYPDNXSUIF-LBPRGKRZSA-N 0 1 377.828 3.936 20 5 GHBDMN CSCCCCCCNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC001189128677 916416486 /nfs/dbraw/zinc/41/64/86/916416486.db2.gz YRLFHONJRBDQDP-UHFFFAOYSA-N 0 1 384.882 3.589 20 5 GHBDMN C[C@@H](CN(C)C(=O)OC(C)(C)C)NCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC001203235745 917326415 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SEQIYWGKECLODT-OAHLLOKOSA-N 0 1 383.448 3.577 20 5 GHBDMN CC(C)c1nc2c([nH]1)CC[C@@H](C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)C2 ZINC000369581218 923454830 /nfs/dbraw/zinc/45/48/30/923454830.db2.gz ZQWAOKIHPSEUFY-OAHLLOKOSA-N 0 1 382.464 3.737 20 5 GHBDMN O=[N+]([O-])c1ccc(Cl)c(CNC[C@H](O)c2ccc(OC(F)(F)F)cc2)c1 ZINC000748820062 923845377 /nfs/dbraw/zinc/84/53/77/923845377.db2.gz AQFORQQFERSDEM-HNNXBMFYSA-N 0 1 390.745 3.970 20 5 GHBDMN CC(=O)Nc1ccc2c(CN[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)cc(=O)oc2c1 ZINC000751921160 928478693 /nfs/dbraw/zinc/47/86/93/928478693.db2.gz FZNRAANHLBQQCS-ZDUSSCGKSA-N 0 1 395.415 3.819 20 5 GHBDMN CCO[C@H]1C[C@H](N(C)Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1(CC)CC ZINC000751959311 928512149 /nfs/dbraw/zinc/51/21/49/928512149.db2.gz KNGWCMSMZAJAPE-IRXDYDNUSA-N 0 1 375.473 3.521 20 5 GHBDMN CCc1ccc([C@@H](NCCCNc2ncccn2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000753673899 929474786 /nfs/dbraw/zinc/47/47/86/929474786.db2.gz OCZCDKRVKIAFFX-IBGZPJMESA-N 0 1 381.436 3.721 20 5 GHBDMN O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)NC2CCC(F)(F)CC2)c1Cl ZINC000830976462 929576870 /nfs/dbraw/zinc/57/68/70/929576870.db2.gz GODYSHZRBWRUFQ-UHFFFAOYSA-N 0 1 389.207 3.758 20 5 GHBDMN C[C@@H](C(=O)Nc1cccc2c1OCC[C@H]2N(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000469332733 929795278 /nfs/dbraw/zinc/79/52/78/929795278.db2.gz HMNRROSYAHRMQR-KZULUSFZSA-N 0 1 387.411 3.861 20 5 GHBDMN O=C(OCc1nc2ccc(Br)cc2[nH]1)c1ccc([N+](=O)[O-])cc1F ZINC000780522661 930540000 /nfs/dbraw/zinc/54/00/00/930540000.db2.gz PQYAHMLVOQOZLR-UHFFFAOYSA-N 0 1 394.156 3.730 20 5 GHBDMN Cc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(Br)c2)cc1F ZINC000782264840 931147307 /nfs/dbraw/zinc/14/73/07/931147307.db2.gz MUZDSKMJTUKICP-UHFFFAOYSA-N 0 1 389.202 3.606 20 5 GHBDMN O=C(CC[N@H+]1CCC[C@]2(C1)OCc1ccccc12)Nc1cc([N+](=O)[O-])ccc1F ZINC000782542224 931262939 /nfs/dbraw/zinc/26/29/39/931262939.db2.gz JVRRDDODAKJEIU-OAQYLSRUSA-N 0 1 399.422 3.584 20 5 GHBDMN CCc1[nH]nc(C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)c1[N+](=O)[O-] ZINC000557833230 931711985 /nfs/dbraw/zinc/71/19/85/931711985.db2.gz JWJVTXLBRIHNKD-NSHDSACASA-N 0 1 385.449 3.510 20 5 GHBDMN C[C@H](Cc1ccccc1C(F)(F)F)N(C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000558126759 931850697 /nfs/dbraw/zinc/85/06/97/931850697.db2.gz JPPMJYCKSPALNC-GFCCVEGCSA-N 0 1 395.381 3.776 20 5 GHBDMN O=[N+]([O-])c1c(N2CCC[C@@H](c3nc(C4CCCCC4)n[nH]3)C2)nc2ccccn21 ZINC000777806776 933564125 /nfs/dbraw/zinc/56/41/25/933564125.db2.gz CULJCAOGQYPDNU-OAHLLOKOSA-N 0 1 395.467 3.792 20 5 GHBDMN O=[N+]([O-])c1c(N2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)nc2ccccn21 ZINC000777806776 933564134 /nfs/dbraw/zinc/56/41/34/933564134.db2.gz CULJCAOGQYPDNU-OAHLLOKOSA-N 0 1 395.467 3.792 20 5 GHBDMN COC[C@@H](NCc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)[C@H]1CCCO1 ZINC001116853180 933795175 /nfs/dbraw/zinc/79/51/75/933795175.db2.gz DVYCMIGSTSLJQH-CRAIPNDOSA-N 0 1 380.828 3.792 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2cnn(CN(CCc3ccccc3)[C@@H]3CCOC3)c2)c1 ZINC000777964865 934411618 /nfs/dbraw/zinc/41/16/18/934411618.db2.gz TVHQRPFLKRGNQV-JOCHJYFZSA-N 0 1 392.459 3.749 20 5 GHBDMN CCC[C@@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC001137819506 935806914 /nfs/dbraw/zinc/80/69/14/935806914.db2.gz WECVRFVRIQEGLH-LJQANCHMSA-N 0 1 396.491 3.520 20 5 GHBDMN O=C([O-])[C@H]1CCCN(c2ccc(C[N@H+](Cc3cccc([N+](=O)[O-])c3)C3CC3)o2)C1 ZINC001574652285 962448470 /nfs/dbraw/zinc/44/84/70/962448470.db2.gz WEWCUNNOZSQLRB-INIZCTEOSA-N 0 1 399.447 3.653 20 5 GHBDMN O=C([O-])[C@H]1CCCN(c2ccc(C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C3CC3)o2)C1 ZINC001574652285 962448477 /nfs/dbraw/zinc/44/84/77/962448477.db2.gz WEWCUNNOZSQLRB-INIZCTEOSA-N 0 1 399.447 3.653 20 5 GHBDMN C[N@@H+](Cc1ccc(C(C)(C)C)cc1)Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001598516883 992626145 /nfs/dbraw/zinc/62/61/45/992626145.db2.gz SNQURLPXJNVYIS-UHFFFAOYSA-N 0 1 386.448 3.988 20 5 GHBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)CNc1cccc(CN2CCC[C@@H]2C(N)=O)c1 ZINC000468742486 1015983304 /nfs/dbraw/zinc/98/33/04/1015983304.db2.gz BWXYHQIYUHHKHH-RBNQXFGJSA-N 0 1 394.475 3.560 20 5 GHBDMN CC[NH+](CC)Cc1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000469000732 1016325593 /nfs/dbraw/zinc/32/55/93/1016325593.db2.gz OVEFFWUXJVUJDY-UHFFFAOYSA-N 0 1 377.466 3.546 20 5 GHBDMN O=c1nc2ccc([N+](=O)[O-])cc2c(O[C@@H]2CC[C@H](OCc3ccccc3)C2)[nH]1 ZINC001227095124 1032268351 /nfs/dbraw/zinc/26/83/51/1032268351.db2.gz NHBHBHUXRGPTFG-JKSUJKDBSA-N 0 1 381.388 3.760 20 5 GHBDMN O=C1CCc2ccc(-c3noc(-c4cc(-c5cccc([N+](=O)[O-])c5)n[nH]4)n3)cc21 ZINC001212995004 1032282624 /nfs/dbraw/zinc/28/26/24/1032282624.db2.gz CMTRJQPQKRYDNI-UHFFFAOYSA-N 0 1 387.355 3.831 20 5 GHBDMN CC[C@@H](c1ccccc1)N1CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001221310863 1032372448 /nfs/dbraw/zinc/37/24/48/1032372448.db2.gz WYNWTEMNFGQFMP-NRFANRHFSA-N 0 1 396.491 3.616 20 5 GHBDMN CC1=C[C@H](Oc2ccc3c(c2)oc2c3c(=O)oc3cc(O)ccc23)CC(=O)O1 ZINC001227518323 1032449784 /nfs/dbraw/zinc/44/97/84/1032449784.db2.gz QTKAWKSUYKWKAX-ZDUSSCGKSA-N 0 1 378.336 3.996 20 5 GHBDMN CSc1nc(O[C@H](C)c2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001227625298 1032490373 /nfs/dbraw/zinc/49/03/73/1032490373.db2.gz VGKUWVURCYSTQP-SSDOTTSWSA-N 0 1 375.328 3.971 20 5 GHBDMN CSc1nc(O[C@H](C)c2ncc(C(F)(F)F)cc2F)c([N+](=O)[O-])c(=O)[nH]1 ZINC001227629317 1032492586 /nfs/dbraw/zinc/49/25/86/1032492586.db2.gz UZGQMTMYFLIYJC-RXMQYKEDSA-N 0 1 394.306 3.505 20 5 GHBDMN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1OCC1CC1 ZINC000777933738 1017875822 /nfs/dbraw/zinc/87/58/22/1017875822.db2.gz JSCPHIHYRSBSKI-UHFFFAOYSA-N 0 1 380.397 3.632 20 5 GHBDMN O=C(Nc1nc(-c2ccncc2)n[nH]1)c1cc(=S)cc2[nH]c3ccccc3nc1-2 ZINC001155989999 1032824990 /nfs/dbraw/zinc/82/49/90/1032824990.db2.gz HNFDWAOMNPSWQA-UHFFFAOYSA-N 0 1 399.439 3.830 20 5 GHBDMN CCc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)nc2C)cc1[N+](=O)[O-] ZINC000567899034 1019353508 /nfs/dbraw/zinc/35/35/08/1019353508.db2.gz LSEPRULUDVIXFP-UHFFFAOYSA-N 0 1 389.355 3.680 20 5 GHBDMN COc1cc(COC(=O)c2ccc(-c3nnc(C4CC4)[nH]3)cc2)ccc1[N+](=O)[O-] ZINC000778818145 1019769045 /nfs/dbraw/zinc/76/90/45/1019769045.db2.gz RTYUKUWLSZDZIE-UHFFFAOYSA-N 0 1 394.387 3.623 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000577814033 1020292781 /nfs/dbraw/zinc/29/27/81/1020292781.db2.gz LYVCKCBKAXZJLR-GFCCVEGCSA-N 0 1 382.869 3.811 20 5 GHBDMN C[C@@H](Oc1nc(C2CC2)[nH]c(=O)c1[N+](=O)[O-])c1ncc(C(F)(F)F)cc1F ZINC001228610006 1033006511 /nfs/dbraw/zinc/00/65/11/1033006511.db2.gz LNLPPYQJOFIFEZ-ZCFIWIBFSA-N 0 1 388.277 3.661 20 5 GHBDMN O=c1[n-]c(C2CC2)nc(O[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1[N+](=O)[O-] ZINC001228603507 1033002670 /nfs/dbraw/zinc/00/26/70/1033002670.db2.gz LKZIFQJGYLGCEY-FVQHAEBGSA-N 0 1 396.447 3.542 20 5 GHBDMN O=C(c1ccccc1)[C@@H](Oc1nc(C2CC2)[nH]c(=O)c1[N+](=O)[O-])c1ccccc1 ZINC001228602480 1033002750 /nfs/dbraw/zinc/00/27/50/1033002750.db2.gz CABRWGQMDHGHNJ-SFHVURJKSA-N 0 1 391.383 3.971 20 5 GHBDMN C[C@H](Oc1nc(C2CC2)[nH]c(=O)c1[N+](=O)[O-])c1ccc(Br)cc1 ZINC001228604573 1033002781 /nfs/dbraw/zinc/00/27/81/1033002781.db2.gz UZGIOCHYBSRPTI-QMMMGPOBSA-N 0 1 380.198 3.870 20 5 GHBDMN CO[C@H]1CS(=O)(=O)C[C@@H]1NCc1c2ccccc2c(Cl)c2ccccc21 ZINC001203084125 1023068002 /nfs/dbraw/zinc/06/80/02/1023068002.db2.gz XKYBCGMVLMZMIH-OALUTQOASA-N 0 1 389.904 3.548 20 5 GHBDMN COc1cccc(Cc2cnc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)s2)c1 ZINC000780331269 1023481618 /nfs/dbraw/zinc/48/16/18/1023481618.db2.gz RQEWCJODURPOPZ-UHFFFAOYSA-N 0 1 385.401 3.609 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@H](C)c2nc3ccc(Cl)cc3[nH]2)c1 ZINC001141250010 1024283221 /nfs/dbraw/zinc/28/32/21/1024283221.db2.gz PRFTVLHJAPSLSP-SNVBAGLBSA-N 0 1 388.811 3.966 20 5 GHBDMN Cc1nc(SC(F)F)sc1CC(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837697024 1024640406 /nfs/dbraw/zinc/64/04/06/1024640406.db2.gz UQHGFVWNPAVCFH-UHFFFAOYSA-N 0 1 390.389 3.666 20 5 GHBDMN CN(Cc1ccc([N+](=O)[O-])c(F)c1)C[C@H](O)c1ccccc1Br ZINC000832679349 1025826278 /nfs/dbraw/zinc/82/62/78/1025826278.db2.gz DRJJYVUWGNNROZ-INIZCTEOSA-N 0 1 383.217 3.662 20 5 GHBDMN O=[N+]([O-])c1cccc(CN2CC[C@H](Cc3ccncc3)C2)c1Br ZINC000839551783 1026050590 /nfs/dbraw/zinc/05/05/90/1026050590.db2.gz CZDWPTSJMBWLRD-CQSZACIVSA-N 0 1 376.254 3.817 20 5 GHBDMN Cc1nc(N[C@H]2CNCc3ccsc32)c([N+](=O)[O-])c(C)c1Br ZINC001163230208 1026098776 /nfs/dbraw/zinc/09/87/76/1026098776.db2.gz NAYFTJUVKVTVTG-JTQLQIEISA-N 0 1 383.271 3.687 20 5 GHBDMN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC2(CN(Cc3ccccc3)C2)C1 ZINC001163906507 1026357436 /nfs/dbraw/zinc/35/74/36/1026357436.db2.gz IIONBIXFGAJGBL-UHFFFAOYSA-N 0 1 377.366 3.936 20 5 GHBDMN Cc1nc(N2CC(c3ncn4cc(-c5ccoc5)ccc34)C2)ccc1[N+](=O)[O-] ZINC001166495629 1027015039 /nfs/dbraw/zinc/01/50/39/1027015039.db2.gz QGEAJXNNMCKOEI-UHFFFAOYSA-N 0 1 375.388 3.810 20 5 GHBDMN COC(=O)c1cc(C)c(Nc2ccc(O)c([N+](=O)[O-])c2)c(Br)c1 ZINC001210398565 1027489883 /nfs/dbraw/zinc/48/98/83/1027489883.db2.gz MOSDQKDAIOWFRX-UHFFFAOYSA-N 0 1 381.182 3.902 20 5 GHBDMN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H](C1CCCCC1)C(F)(F)F ZINC001211477039 1027978904 /nfs/dbraw/zinc/97/89/04/1027978904.db2.gz LLYMVYZXJKJOAK-AWEZNQCLSA-N 0 1 380.388 3.693 20 5 GHBDMN CC(C)[C@@H]1C[C@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c2ccccc21 ZINC001213370437 1028143914 /nfs/dbraw/zinc/14/39/14/1028143914.db2.gz BNHOIYVPXQXARN-HOCLYGCPSA-N 0 1 378.425 3.897 20 5 GHBDMN Cc1cc([C@H](OC(=O)[C@@H]2CC2[N+](=O)[O-])C(F)(F)F)ccc1Br ZINC000841201745 1028273251 /nfs/dbraw/zinc/27/32/51/1028273251.db2.gz VIHGDTUQNPVJSE-IEBDPFPHSA-N 0 1 382.132 3.569 20 5 GHBDMN C[C@H](CNS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)CC(F)(F)F ZINC000841563420 1028733386 /nfs/dbraw/zinc/73/33/86/1028733386.db2.gz LXKRUJBOEAGXNK-LURJTMIESA-N 0 1 395.186 3.768 20 5 GHBDMN O=[N+]([O-])c1cc(-c2nc(-c3ncccc3/C=C/N3CCCC3)no2)ccc1F ZINC001215884451 1029438186 /nfs/dbraw/zinc/43/81/86/1029438186.db2.gz ZGDBHUZIBZIQMW-YRNVUSSQSA-N 0 1 381.367 3.912 20 5 GHBDMN CN1CCN(c2ccccc2-c2noc(-c3cc([N+](=O)[O-])ccc3Cl)n2)CC1 ZINC001216493676 1029661201 /nfs/dbraw/zinc/66/12/01/1029661201.db2.gz LRGGLCFKXPTANI-UHFFFAOYSA-N 0 1 399.838 3.717 20 5 GHBDMN C[C@@H](N[C@H](CCO)c1cccc(OC(F)(F)F)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000842900927 1029671527 /nfs/dbraw/zinc/67/15/27/1029671527.db2.gz DGTBVTZZXFNBJO-BDJLRTHQSA-N 0 1 399.369 3.850 20 5 GHBDMN C[C@@H](CCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])[N@@H+](C)Cc1ccccc1 ZINC001149138195 1030073080 /nfs/dbraw/zinc/07/30/80/1030073080.db2.gz IFUUDTGJEHMJSG-ZDUSSCGKSA-N 0 1 391.855 3.594 20 5 GHBDMN CN1CCN(c2ccc(-c3noc(-c4cc(Cl)cc([N+](=O)[O-])c4)n3)cc2)CC1 ZINC001217016804 1030091751 /nfs/dbraw/zinc/09/17/51/1030091751.db2.gz WQQOOMZNNHNNJX-UHFFFAOYSA-N 0 1 399.838 3.717 20 5 GHBDMN COC(=O)c1cccc([N+](=O)[O-])c1CO[C@H]1CCCN([C@H](C)c2ccccn2)C1 ZINC001222777260 1030304536 /nfs/dbraw/zinc/30/45/36/1030304536.db2.gz GXGZNFQJZWVOQO-CVEARBPZSA-N 0 1 399.447 3.519 20 5 GHBDMN CCN(C)[C@H](C(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC001150280196 1030476094 /nfs/dbraw/zinc/47/60/94/1030476094.db2.gz JGMAIVFTMXZHPU-KRWDZBQOSA-N 0 1 379.819 3.697 20 5 GHBDMN O=[N+]([O-])c1cc(CO[C@H]2CCCN(Cc3ccccc3F)C2)cc([N+](=O)[O-])c1 ZINC001223488630 1030600581 /nfs/dbraw/zinc/60/05/81/1030600581.db2.gz QRVVFDDCNJXTLJ-SFHVURJKSA-N 0 1 389.383 3.823 20 5 GHBDMN COc1cc(CO[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC001223905435 1030801414 /nfs/dbraw/zinc/80/14/14/1030801414.db2.gz KLQLSCKTHLWPDN-GOSISDBHSA-N 0 1 386.448 3.793 20 5 GHBDMN CC(C)=CCc1c(O)cc(O[C@H]2C[C@H](O)C2)c2c(=O)c3cccc(O)c3oc12 ZINC001218367728 1030910772 /nfs/dbraw/zinc/91/07/72/1030910772.db2.gz YWQXGHLGRFMHOG-JOCQHMNTSA-N 0 1 382.412 3.768 20 5 GHBDMN CC[C@H](NC(=O)c1cccc(Br)c1O)c1cccc([N+](=O)[O-])c1 ZINC001152973636 1031413469 /nfs/dbraw/zinc/41/34/69/1031413469.db2.gz BMXJEWOCKSTWFN-AWEZNQCLSA-N 0 1 379.210 3.944 20 5 GHBDMN Cc1c(CNC(=O)N2C[C@H](C)N(Cc3ccccc3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC001226215744 1031858488 /nfs/dbraw/zinc/85/84/88/1031858488.db2.gz FFFKUERDWPHIEX-DLBZAZTESA-N 0 1 396.491 3.708 20 5 GHBDMN N[C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)NC[C@H](O)C1CCCCC1 ZINC001220467046 1031952576 /nfs/dbraw/zinc/95/25/76/1031952576.db2.gz LDPGSEDZARQCJN-ZEQRLZLVSA-N 0 1 390.527 3.920 20 5 GHBDMN O=[N+]([O-])c1ccc2c(c1)ncnc2O[C@H]1CCCN(Cc2ccccc2F)C1 ZINC001229403885 1033462205 /nfs/dbraw/zinc/46/22/05/1033462205.db2.gz RRLPRHQVQZSDSX-INIZCTEOSA-N 0 1 382.395 3.721 20 5 GHBDMN COCc1cccc(-c2noc(-c3cc(-c4ccc([N+](=O)[O-])cc4)n[nH]3)n2)c1 ZINC001213008436 1033580160 /nfs/dbraw/zinc/58/01/60/1033580160.db2.gz KUQIREPOWPMHKU-UHFFFAOYSA-N 0 1 377.360 3.848 20 5 GHBDMN CC(=O)c1cccc(-c2noc(-c3cc(-c4ccc([N+](=O)[O-])cc4)n[nH]3)n2)c1 ZINC001213008574 1033597454 /nfs/dbraw/zinc/59/74/54/1033597454.db2.gz RDCNIFXMMBYEJN-UHFFFAOYSA-N 0 1 375.344 3.905 20 5 GHBDMN COc1ccc2nc(OC3CCN(c4cccc(F)c4[N+](=O)[O-])CC3)[nH]c2c1 ZINC001229729914 1033670892 /nfs/dbraw/zinc/67/08/92/1033670892.db2.gz NAVSTHKUMKVACC-UHFFFAOYSA-N 0 1 386.383 3.667 20 5 GHBDMN CC1(C)CN(C(=O)[C@@H](N)Cc2c3ccccc3cc3ccccc32)[C@](C)(CO)C1 ZINC001157926124 1033824213 /nfs/dbraw/zinc/82/42/13/1033824213.db2.gz OIEOIIHFLLUBJE-DHLKQENFSA-N 0 1 390.527 3.872 20 5 GHBDMN COc1c(O)ccc(CN2CC[C@H](c3cc(C)c(Cl)cc3O)C2)c1[N+](=O)[O-] ZINC001206761657 1033973987 /nfs/dbraw/zinc/97/39/87/1033973987.db2.gz DNCJATJAZHJDDS-LBPRGKRZSA-N 0 1 392.839 3.966 20 5 GHBDMN Nc1cccc(CN2CCN(c3cc4ccc(Cl)nc4cc3[N+](=O)[O-])CC2)c1 ZINC001158485509 1034105062 /nfs/dbraw/zinc/10/50/62/1034105062.db2.gz NEOIVUFKIJAUNQ-UHFFFAOYSA-N 0 1 397.866 3.701 20 5 GHBDMN C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1Oc1cc2[nH]ncc2cc1[N+](=O)[O-] ZINC001230595529 1034138539 /nfs/dbraw/zinc/13/85/39/1034138539.db2.gz KJOVFJLBFVEOCP-LRDDRELGSA-N 0 1 390.440 3.886 20 5 GHBDMN Cc1cc(O)c([N+](=O)[O-])c(OC2CC3(C2)CCN(C(=O)OC(C)(C)C)CC3)n1 ZINC001231258602 1034488177 /nfs/dbraw/zinc/48/81/77/1034488177.db2.gz AQEBPVZSCKIEPA-UHFFFAOYSA-N 0 1 393.440 3.562 20 5 GHBDMN Cc1cc(O)c([N+](=O)[O-])c(O[C@@H]2CCC[C@]23CCN(C(=O)OC(C)(C)C)C3)n1 ZINC001231258790 1034489575 /nfs/dbraw/zinc/48/95/75/1034489575.db2.gz CNFUUPZXOUGCBR-AUUYWEPGSA-N 0 1 393.440 3.562 20 5 GHBDMN CC1(C)CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)Cc2ccccc2O1 ZINC001160419060 1034967518 /nfs/dbraw/zinc/96/75/18/1034967518.db2.gz OBNNOYPJEGOXEA-UHFFFAOYSA-N 0 1 392.415 3.798 20 5 GHBDMN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1ccc(F)c(F)c1O ZINC001161068132 1035132426 /nfs/dbraw/zinc/13/24/26/1035132426.db2.gz VDGOKOVBAVXVGM-UHFFFAOYSA-N 0 1 387.136 3.902 20 5 GHBDMN CN1CCN(CCNc2ccc(-c3cc4cccnc4c4ncccc34)cn2)CC1 ZINC001241565396 1035623921 /nfs/dbraw/zinc/62/39/21/1035623921.db2.gz GZDBDYLSBYXCRY-UHFFFAOYSA-N 0 1 398.514 3.504 20 5 GHBDMN O=[N+]([O-])c1cccc(CCc2nc(-c3ncccc3/C=C/N3CCCC3)no2)c1 ZINC001248013190 1038537637 /nfs/dbraw/zinc/53/76/37/1038537637.db2.gz RCSGQQBHJDIWEP-GXDHUFHOSA-N 0 1 391.431 3.892 20 5 GHBDMN COc1cc(F)c(CNC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(F)c1 ZINC001254467168 1040254195 /nfs/dbraw/zinc/25/41/95/1040254195.db2.gz ZTPMFCUBOCRQAY-UHFFFAOYSA-N 0 1 377.391 3.640 20 5 GHBDMN CC(C)=CCc1c(O)cc2oc3ccc(O)cc3c(=O)c2c1OC[C@@H]1COCO1 ZINC001234742318 1040267624 /nfs/dbraw/zinc/26/76/24/1040267624.db2.gz WPXVPNOVIDATIF-AWEZNQCLSA-N 0 1 398.411 3.618 20 5 GHBDMN COc1c(O)ccc2c(=O)c3c(O[C@H]4CC[C@H]([NH+](C)C)CC4)cc([O-])cc3oc21 ZINC001234752437 1040280587 /nfs/dbraw/zinc/28/05/87/1040280587.db2.gz WPXHJKLKYYAYST-MQMHXKEQSA-N 0 1 399.443 3.618 20 5 GHBDMN C[C@H](Cc1ccccc1[N+](=O)[O-])N1C[C@H](C)C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001254563974 1040338808 /nfs/dbraw/zinc/33/88/08/1040338808.db2.gz HNSKTYLUTDPXBW-BFYDXBDKSA-N 0 1 377.485 3.761 20 5 GHBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001462622999 1070422093 /nfs/dbraw/zinc/42/20/93/1070422093.db2.gz LBYSUEVGNVVJQR-ATRPVMHDSA-N 0 1 375.469 3.843 20 5 GHBDMN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N(Cc1ccc(O)cc1)CC1CC1 ZINC001294927403 1044841771 /nfs/dbraw/zinc/84/17/71/1044841771.db2.gz QVCVJHZJMNXWEE-UHFFFAOYSA-N 0 1 392.415 3.743 20 5 GHBDMN C[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC001298243880 1045748101 /nfs/dbraw/zinc/74/81/01/1045748101.db2.gz ZOBOARVRJWAYTQ-SSDOTTSWSA-N 0 1 395.202 3.975 20 5 GHBDMN C[C@@H](NC(=O)Cc1cccc(F)c1[N+](=O)[O-])c1nc2ccc(Cl)cc2[nH]1 ZINC001301584114 1046610069 /nfs/dbraw/zinc/61/00/69/1046610069.db2.gz HDNCXZVBZXZRCQ-SECBINFHSA-N 0 1 376.775 3.684 20 5 GHBDMN Cc1c(C(=O)N[C@@H](CN(C)C)c2cccc(C(F)(F)F)c2)cccc1[N+](=O)[O-] ZINC001302114239 1046821467 /nfs/dbraw/zinc/82/14/67/1046821467.db2.gz GTIAQSYPUMPZSA-INIZCTEOSA-N 0 1 395.381 3.955 20 5 GHBDMN O=C(Nc1nnc(-c2c(F)cccc2F)s1)c1cc(F)c([N+](=O)[O-])cc1F ZINC001287631206 1048856818 /nfs/dbraw/zinc/85/68/18/1048856818.db2.gz AFUMAIURKXJWKQ-UHFFFAOYSA-N 0 1 398.297 3.922 20 5 GHBDMN O=[N+]([O-])c1cnc2ccc(Cl)cc2c1N1CCN(CCc2ccncc2)CC1 ZINC001307187915 1049126124 /nfs/dbraw/zinc/12/61/24/1049126124.db2.gz QQZXDMVNUWTADV-UHFFFAOYSA-N 0 1 397.866 3.556 20 5 GHBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2C[C@H]3CCC[C@@H](C2)C3O)cc1OC ZINC001307475034 1049311914 /nfs/dbraw/zinc/31/19/14/1049311914.db2.gz NATGLNJYWUGIFZ-PXBODFTHSA-N 0 1 392.496 3.621 20 5 GHBDMN C[C@H](c1ccccc1)[C@@H](CO)NCc1cc([N+](=O)[O-])ccc1Br ZINC001307657135 1049481823 /nfs/dbraw/zinc/48/18/23/1049481823.db2.gz HOTIVAZHKWVFFH-SJKOYZFVSA-N 0 1 379.254 3.612 20 5 GHBDMN COc1cccc(OCCCNCc2c(Br)cccc2[N+](=O)[O-])c1 ZINC001308277371 1049935129 /nfs/dbraw/zinc/93/51/29/1049935129.db2.gz LPKOYXLBBZVBEJ-UHFFFAOYSA-N 0 1 395.253 3.925 20 5 GHBDMN O=[N+]([O-])c1cnn(CCNCc2cc(F)ccc2Oc2cncc(Cl)c2)c1 ZINC001308316158 1049946858 /nfs/dbraw/zinc/94/68/58/1049946858.db2.gz DLOZNOMULSRYFB-UHFFFAOYSA-N 0 1 391.790 3.561 20 5 GHBDMN O=[N+]([O-])c1cccc(N2CCN(Cc3ccccc3N3CCCCC3)CC2)c1 ZINC001308626922 1050038822 /nfs/dbraw/zinc/03/88/22/1050038822.db2.gz FXIHVQSMCJYQOP-UHFFFAOYSA-N 0 1 380.492 3.907 20 5 GHBDMN CNC(=O)C1(NCc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CCCC1 ZINC001320469325 1055819530 /nfs/dbraw/zinc/81/95/30/1055819530.db2.gz JMMPOHONKLIFCI-UHFFFAOYSA-N 0 1 377.828 3.657 20 5 GHBDMN O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1nc(-c2ccccc2Cl)n[nH]1 ZINC001326139526 1057421781 /nfs/dbraw/zinc/42/17/81/1057421781.db2.gz HHORAIJQYOUJKQ-UHFFFAOYSA-N 0 1 389.824 3.764 20 5 GHBDMN CC(C)(C)CCN1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC001441999261 1058902442 /nfs/dbraw/zinc/90/24/42/1058902442.db2.gz ABHDXNQHZBBTHQ-UHFFFAOYSA-N 0 1 399.944 3.921 20 5 GHBDMN CC(C)c1ccc(C(=O)N2CCc3nc[nH]c3[C@H]2c2cccnc2)cc1[N+](=O)[O-] ZINC001452330807 1060924744 /nfs/dbraw/zinc/92/47/44/1060924744.db2.gz CNBJFUGDWAJGQB-HXUWFJFHSA-N 0 1 391.431 3.624 20 5 GHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCc2cc(Cl)cc(Cl)c2C1 ZINC001435441865 1062610727 /nfs/dbraw/zinc/61/07/27/1062610727.db2.gz QTYIOHVCBXDDIW-UHFFFAOYSA-N 0 1 391.214 3.976 20 5 GHBDMN Cc1ccc(CN2CCCN(C(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC001348442309 1063078736 /nfs/dbraw/zinc/07/87/36/1063078736.db2.gz MIPUVKOGSOHTPD-FCHUYYIVSA-N 0 1 393.487 3.741 20 5 GHBDMN COc1ccccc1-c1nnc(NC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])s1 ZINC001436378159 1063413667 /nfs/dbraw/zinc/41/36/67/1063413667.db2.gz FSSGNELERCSJGQ-UHFFFAOYSA-N 0 1 388.380 3.822 20 5 GHBDMN CC[C@H](C)Oc1cc(C)ccc1CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001457919451 1063443566 /nfs/dbraw/zinc/44/35/66/1063443566.db2.gz QLFARDOJTLULDA-ZDUSSCGKSA-N 0 1 382.420 3.887 20 5 GHBDMN CCNc1ccc(C(=O)Nc2nc3cc(Cl)c(F)cc3[nH]2)cc1[N+](=O)[O-] ZINC001437934804 1063952869 /nfs/dbraw/zinc/95/28/69/1063952869.db2.gz YWUAVCXTGRVFSO-UHFFFAOYSA-N 0 1 377.763 3.948 20 5 GHBDMN CC(C)Oc1cc(C(=O)NC[C@@H](C)N2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC001352078317 1064814188 /nfs/dbraw/zinc/81/41/88/1064814188.db2.gz CDSJEEDYPWWPPB-MRXNPFEDSA-N 0 1 397.475 3.559 20 5 GHBDMN CC(C)Oc1cc(C(=O)N2CCN(CCC(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC001464383031 1064980702 /nfs/dbraw/zinc/98/07/02/1064980702.db2.gz ZTCSPOUYUYJSDJ-UHFFFAOYSA-N 0 1 377.485 3.576 20 5 GHBDMN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccc(Nc2ccncc2)cc1 ZINC001300213210 1065715848 /nfs/dbraw/zinc/71/58/48/1065715848.db2.gz LXRQOYMZYRKDRV-UHFFFAOYSA-N 0 1 390.399 3.757 20 5 GHBDMN CCOc1cc(NC(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC001466997738 1066436029 /nfs/dbraw/zinc/43/60/29/1066436029.db2.gz PAGWDAQSYPQECH-SFHVURJKSA-N 0 1 398.463 3.780 20 5 GHBDMN CC[C@@H]1CCCCCN1C(=O)Nc1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC001467372977 1067257716 /nfs/dbraw/zinc/25/77/16/1067257716.db2.gz WVXQPFZPVRZRCV-MRXNPFEDSA-N 0 1 389.500 3.533 20 5 GHBDMN Cc1ccc(COc2c(C)cc(CN(C)C(=O)[C@@H]3CC3[N+](=O)[O-])cc2C)cc1 ZINC001360211877 1068412814 /nfs/dbraw/zinc/41/28/14/1068412814.db2.gz JOVQIJYTCAUKNS-WOJBJXKFSA-N 0 1 382.460 3.814 20 5 GHBDMN CC[C@H](N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1cccc(OC)c1OC ZINC001460653278 1069059935 /nfs/dbraw/zinc/05/99/35/1069059935.db2.gz WAQYRARBJJEJDT-ZFWWWQNUSA-N 0 1 387.436 3.680 20 5 GHBDMN O=C(CN1CCCC[C@H](C2CCOCC2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC001460689333 1069088101 /nfs/dbraw/zinc/08/81/01/1069088101.db2.gz HWEVAGFSDQNEQX-HNNXBMFYSA-N 0 1 395.887 3.715 20 5 GHBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)C1CC(c2ccc(F)cc2)C1 ZINC001472504103 1073519019 /nfs/dbraw/zinc/51/90/19/1073519019.db2.gz RCGYUPHWIQMNFI-UHFFFAOYSA-N 0 1 381.367 3.651 20 5 GHBDMN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NCCc1nc2ccc(F)cc2[nH]1 ZINC001472718200 1073633401 /nfs/dbraw/zinc/63/34/01/1073633401.db2.gz SBNTVOCFCHOKKM-UHFFFAOYSA-N 0 1 392.774 3.705 20 5 GHBDMN C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)[N@H+](Cc2cc([O-])ccc2[N+](=O)[O-])[C@@H]1C ZINC001473594891 1074038472 /nfs/dbraw/zinc/03/84/72/1074038472.db2.gz JZZZUXWVRUONKY-FMKPAKJESA-N 0 1 393.484 3.814 20 5 GHBDMN C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])[C@@H]1C ZINC001473594891 1074038479 /nfs/dbraw/zinc/03/84/79/1074038479.db2.gz JZZZUXWVRUONKY-FMKPAKJESA-N 0 1 393.484 3.814 20 5 GHBDMN Cc1cc(NC(=O)CN[C@H](C)c2ccc([N+](=O)[O-])cc2)ccc1Br ZINC001473784187 1074140598 /nfs/dbraw/zinc/14/05/98/1074140598.db2.gz OKUPIUHQPIRRSB-GFCCVEGCSA-N 0 1 392.253 3.955 20 5 GHBDMN CN(C)c1nc(CCNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)cs1 ZINC001473989411 1074227905 /nfs/dbraw/zinc/22/79/05/1074227905.db2.gz BDIOECPOJQKYNL-UHFFFAOYSA-N 0 1 389.506 3.573 20 5 GHBDMN CC(C)(C)C(F)(F)CNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC001475524805 1074904499 /nfs/dbraw/zinc/90/44/99/1074904499.db2.gz SHZKPCSBRGDNJI-UHFFFAOYSA-N 0 1 391.223 3.861 20 5 GHBDMN CCC(F)(F)C(C)(C)CNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC001475574601 1074918024 /nfs/dbraw/zinc/91/80/24/1074918024.db2.gz FRBYPCSUDRZUJS-UHFFFAOYSA-N 0 1 388.795 3.737 20 5 GHBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000833552201 604950748 /nfs/dbraw/zinc/95/07/48/604950748.db2.gz XWPNRTFAVZRYEU-OCCSQVGLSA-N 0 1 388.424 3.529 20 5 GHBDMN CC(C)(C(=O)[O-])[C@@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccccc1 ZINC000833414943 605182859 /nfs/dbraw/zinc/18/28/59/605182859.db2.gz PRCMOJNIEYBXFF-KRWDZBQOSA-N 0 1 396.403 3.587 20 5 GHBDMN COc1ccc(C[C@@H]2CCCN([C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C2)cc1 ZINC000584442707 834623558 /nfs/dbraw/zinc/62/35/58/834623558.db2.gz DIYNJRKBKKQIJQ-AEFFLSMTSA-N 0 1 397.475 3.885 20 5 GHBDMN Cc1cc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)ccc1Oc1cccnc1 ZINC000120212508 834920951 /nfs/dbraw/zinc/92/09/51/834920951.db2.gz MNPVGGWSNKMJSE-UHFFFAOYSA-N 0 1 391.430 3.953 20 5 GHBDMN Cc1n[nH]c(C(F)F)c1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000536110157 834928842 /nfs/dbraw/zinc/92/88/42/834928842.db2.gz MCPZEFGWRSOXDX-UHFFFAOYSA-N 0 1 389.156 3.508 20 5 GHBDMN CC(C)(C)[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000544070845 835075278 /nfs/dbraw/zinc/07/52/78/835075278.db2.gz KYPOTHYYMXLLBL-GOSISDBHSA-N 0 1 394.468 3.885 20 5 GHBDMN CCN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H](COC)Cc1ccccc1 ZINC000472339404 835128885 /nfs/dbraw/zinc/12/88/85/835128885.db2.gz CITGKYQMGWZWLV-LJQANCHMSA-N 0 1 396.447 3.724 20 5 GHBDMN Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CCC[C@H]2C[C@H](C)O)c([N+](=O)[O-])c1 ZINC000246900229 835286346 /nfs/dbraw/zinc/28/63/46/835286346.db2.gz XRIZGXAWMGTIAQ-MDKPJZGXSA-N 0 1 397.475 3.818 20 5 GHBDMN Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCC[C@H]2C[C@H](C)O)c([N+](=O)[O-])c1 ZINC000246900229 835286353 /nfs/dbraw/zinc/28/63/53/835286353.db2.gz XRIZGXAWMGTIAQ-MDKPJZGXSA-N 0 1 397.475 3.818 20 5 GHBDMN CC(C)Oc1ccc([C@H](C)NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000179527494 835862792 /nfs/dbraw/zinc/86/27/92/835862792.db2.gz NOYNONFPOWJSLG-HNNXBMFYSA-N 0 1 383.448 3.622 20 5 GHBDMN COc1cccc(C2CCN([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)CC2)c1 ZINC000547751049 836020660 /nfs/dbraw/zinc/02/06/60/836020660.db2.gz PDUKZTVTASICAN-NRFANRHFSA-N 0 1 395.459 3.588 20 5 GHBDMN CC(C)c1nc2c([nH]1)CC[C@@H](C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)C2 ZINC000364552916 836051825 /nfs/dbraw/zinc/05/18/25/836051825.db2.gz ZTYLKEJQRGDQHE-OAHLLOKOSA-N 0 1 382.464 3.737 20 5 GHBDMN Cc1ccc2nc([C@@H]3CCCN(C(=O)c4ccc(F)cc4[N+](=O)[O-])C3)[nH]c2c1 ZINC000136539178 836114402 /nfs/dbraw/zinc/11/44/02/836114402.db2.gz JTCBNIXLGDNEIE-CYBMUJFWSA-N 0 1 382.395 3.938 20 5 GHBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1ccc(N2CCCCC2)cc1 ZINC000472538292 836317227 /nfs/dbraw/zinc/31/72/27/836317227.db2.gz ORLPLAMMLYWICQ-UHFFFAOYSA-N 0 1 392.419 3.623 20 5 GHBDMN COc1ccc(NC(=O)CC[N@H+]2CC[C@H](C(F)(F)F)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000411782944 836346238 /nfs/dbraw/zinc/34/62/38/836346238.db2.gz ALFTTWRRSYHIMG-RYUDHWBXSA-N 0 1 389.374 3.595 20 5 GHBDMN CCS(=O)(=O)c1cc(Cl)cc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000414215864 836579977 /nfs/dbraw/zinc/57/99/77/836579977.db2.gz YNRGYHGZERZXIT-LBPRGKRZSA-N 0 1 382.869 3.893 20 5 GHBDMN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000180185786 836607192 /nfs/dbraw/zinc/60/71/92/836607192.db2.gz FKFVDUWTXINRBG-GDIGMMSISA-N 0 1 385.489 3.637 20 5 GHBDMN CC[C@H](CSc1ccccc1[N+](=O)[O-])NCc1ccccc1S(C)(=O)=O ZINC000414230324 836644245 /nfs/dbraw/zinc/64/42/45/836644245.db2.gz GGHORRUPVJXIHN-OAHLLOKOSA-N 0 1 394.518 3.659 20 5 GHBDMN COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000170912666 836934840 /nfs/dbraw/zinc/93/48/40/836934840.db2.gz CYEPYSUALARTGO-JLSDUUJJSA-N 0 1 399.447 3.598 20 5 GHBDMN C[C@@H](NCC(=O)NCc1ccc(F)cc1C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000180446859 837266293 /nfs/dbraw/zinc/26/62/93/837266293.db2.gz DNEDWKLGHJMHJN-LLVKDONJSA-N 0 1 399.344 3.720 20 5 GHBDMN Cc1cccnc1[C@@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000118841079 837950173 /nfs/dbraw/zinc/95/01/73/837950173.db2.gz QISIDMUPEMCNKE-KRWDZBQOSA-N 0 1 376.844 3.877 20 5 GHBDMN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000275612590 838011174 /nfs/dbraw/zinc/01/11/74/838011174.db2.gz HGMNMISEFKQEST-WLRWDXFRSA-N 0 1 397.425 3.584 20 5 GHBDMN CCCN(CC(=O)Nc1ccc(F)c(F)c1F)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000549367435 838138756 /nfs/dbraw/zinc/13/87/56/838138756.db2.gz VCDRRWAJHJSBLS-UHFFFAOYSA-N 0 1 397.353 3.568 20 5 GHBDMN CC(=O)Nc1cccc2c1CCN(c1cc(C)nc3ccc([N+](=O)[O-])cc31)C2 ZINC000181464531 838465684 /nfs/dbraw/zinc/46/56/84/838465684.db2.gz NHGXKLGVUZALJD-UHFFFAOYSA-N 0 1 376.416 3.973 20 5 GHBDMN O=C(CN1CC[C@H](C2CC2)C1)Nc1cc(N2CC[C@@H](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000535727173 844352577 /nfs/dbraw/zinc/35/25/77/844352577.db2.gz SDKJMNHHDULDSF-ZWKOTPCHSA-N 0 1 398.507 3.502 20 5 GHBDMN C[C@]1(c2ccccc2)CCCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC001167367477 839046528 /nfs/dbraw/zinc/04/65/28/839046528.db2.gz KKDBONGNOKOYML-IRLDBZIGSA-N 0 1 379.460 3.754 20 5 GHBDMN COc1cc(C)c([C@@H](C)N[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1OC ZINC000120174877 839441647 /nfs/dbraw/zinc/44/16/47/839441647.db2.gz CLMBNITWJUYHTE-KGLIPLIRSA-N 0 1 387.436 3.598 20 5 GHBDMN O=C(Nc1ccccc1)[C@@H](NCc1cc(O)ccc1[N+](=O)[O-])c1ccccc1 ZINC000549506622 840442237 /nfs/dbraw/zinc/44/22/37/840442237.db2.gz AHCSACWILPEOIF-FQEVSTJZSA-N 0 1 377.400 3.770 20 5 GHBDMN CCCn1c2ccccc2[nH]c1=NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000014626119 840780787 /nfs/dbraw/zinc/78/07/87/840780787.db2.gz YENHDKNVLUZROP-UHFFFAOYSA-N 0 1 379.420 3.603 20 5 GHBDMN Cc1cc(C(=O)OCc2nc3ccc(Br)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000780524532 840825785 /nfs/dbraw/zinc/82/57/85/840825785.db2.gz BJGQNTDTXRKLBS-UHFFFAOYSA-N 0 1 390.193 3.899 20 5 GHBDMN COc1ccc([C@@H](CN2CCCC2)Nc2ncc([N+](=O)[O-])cc2Cl)cc1 ZINC000302143841 861219349 /nfs/dbraw/zinc/21/93/49/861219349.db2.gz QDUNHHUHLMMFSW-QGZVFWFLSA-N 0 1 376.844 3.901 20 5 GHBDMN COc1ccc([C@H](CN2CCCC2)Nc2ncc([N+](=O)[O-])cc2Cl)cc1 ZINC000302143840 861219772 /nfs/dbraw/zinc/21/97/72/861219772.db2.gz QDUNHHUHLMMFSW-KRWDZBQOSA-N 0 1 376.844 3.901 20 5 GHBDMN CCCOc1ccc([C@@H](C)NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)cc1OC ZINC000053581200 841825063 /nfs/dbraw/zinc/82/50/63/841825063.db2.gz MGBKCUVCTAYDFG-GFCCVEGCSA-N 0 1 398.419 3.760 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133266 841853324 /nfs/dbraw/zinc/85/33/24/841853324.db2.gz PSBWARHDUJUQDL-XMSQKQJNSA-N 0 1 397.475 3.941 20 5 GHBDMN Cc1nc(-c2ccccc2)[nH]c1C(=O)O[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000759945213 841982096 /nfs/dbraw/zinc/98/20/96/841982096.db2.gz TWGOWICVBQJJAW-HOTGVXAUSA-N 0 1 395.419 3.831 20 5 GHBDMN C[C@H](CCNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)c1ccccc1 ZINC001211672506 842093057 /nfs/dbraw/zinc/09/30/57/842093057.db2.gz YQFGXDOGOFZUCU-LLVKDONJSA-N 0 1 386.832 3.859 20 5 GHBDMN CO[C@@H](c1ccccc1Cl)[C@H](C)NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000481411359 861308217 /nfs/dbraw/zinc/30/82/17/861308217.db2.gz RUJAICQUGSMVBD-ORAYPTAESA-N 0 1 391.855 3.577 20 5 GHBDMN C[C@H]1C[N@H+](Cc2cccc(C[NH2+][C@H]3CCCc4ccc([N+](=O)[O-])cc43)c2)CCO1 ZINC000249050644 842708600 /nfs/dbraw/zinc/70/86/00/842708600.db2.gz XIAGCBYGCMCDTQ-SBUREZEXSA-N 0 1 395.503 3.983 20 5 GHBDMN O=[N+]([O-])c1cnc(N2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)s1 ZINC000190309648 842935252 /nfs/dbraw/zinc/93/52/52/842935252.db2.gz OUUQGIAFGBMDBJ-UHFFFAOYSA-N 0 1 386.399 3.782 20 5 GHBDMN Cc1cc(OCC(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)ccc1[N+](=O)[O-] ZINC000430827525 843041084 /nfs/dbraw/zinc/04/10/84/843041084.db2.gz MGTQUMVZNRMLJG-UHFFFAOYSA-N 0 1 376.319 3.735 20 5 GHBDMN CCOC(=O)c1cnn(C2CCN([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)c1C ZINC000510608158 843041306 /nfs/dbraw/zinc/04/13/06/843041306.db2.gz JSDOFQUEEDRKDU-CQSZACIVSA-N 0 1 386.452 3.675 20 5 GHBDMN O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000541825236 843090924 /nfs/dbraw/zinc/09/09/24/843090924.db2.gz WZSGHBRHGFZVRE-ZDUSSCGKSA-N 0 1 394.758 3.830 20 5 GHBDMN O=C(CCN1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000610614537 843298187 /nfs/dbraw/zinc/29/81/87/843298187.db2.gz YNAHPKCWCVUKSE-RYUDHWBXSA-N 0 1 399.291 3.596 20 5 GHBDMN C[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1cc2ccccc2s1 ZINC000500485294 843527456 /nfs/dbraw/zinc/52/74/56/843527456.db2.gz JFCJZVLUMYGFQG-SNVBAGLBSA-N 0 1 380.422 3.988 20 5 GHBDMN CC(C)(C)c1ccc(-c2n[nH]c(NC(=O)COc3ccccc3[N+](=O)[O-])n2)cc1 ZINC000008115495 843535680 /nfs/dbraw/zinc/53/56/80/843535680.db2.gz NZNWENKASMGIMU-UHFFFAOYSA-N 0 1 395.419 3.695 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1CN[C@](C)(CO)c1ccc(Br)cc1 ZINC000512857124 843894731 /nfs/dbraw/zinc/89/47/31/843894731.db2.gz QEKBMIDXGJTTET-QGZVFWFLSA-N 0 1 379.254 3.663 20 5 GHBDMN COC(=O)c1ccc(CN[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc1OC ZINC000433300654 843987177 /nfs/dbraw/zinc/98/71/77/843987177.db2.gz TZAIUUZQHBJCCA-SFHVURJKSA-N 0 1 384.432 3.902 20 5 GHBDMN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N[C@H]3CCCc4cn[nH]c43)cc2[N+](=O)[O-])C1 ZINC000610833656 844644778 /nfs/dbraw/zinc/64/47/78/844644778.db2.gz MGXKSCYODYKDNW-CPUCHLNUSA-N 0 1 397.479 3.608 20 5 GHBDMN NC(=O)c1ccc(NC[C@@H](c2cccc(Cl)c2)N2CCCC2)c([N+](=O)[O-])c1 ZINC000513169702 844976803 /nfs/dbraw/zinc/97/68/03/844976803.db2.gz CHIQHBDZXQUWCP-SFHVURJKSA-N 0 1 388.855 3.596 20 5 GHBDMN COC[C@H](C)N(CC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@@H]1CCc2ccccc21 ZINC000599683284 861521650 /nfs/dbraw/zinc/52/16/50/861521650.db2.gz QLDXEELFASYQQH-QFBILLFUSA-N 0 1 397.475 3.866 20 5 GHBDMN COc1cccc([C@@H](CNC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)N2CCCC2)c1 ZINC000573780842 845019330 /nfs/dbraw/zinc/01/93/30/845019330.db2.gz LPXIGUVPPVBVIU-HRAATJIYSA-N 0 1 397.475 3.660 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N2CCc3ccc(Cl)cc3[C@@H](C)C2)c1[N+](=O)[O-] ZINC000593811932 861551477 /nfs/dbraw/zinc/55/14/77/861551477.db2.gz HSIKHQHADSSQQN-NSHDSACASA-N 0 1 376.844 3.897 20 5 GHBDMN C[C@@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000146498673 845762007 /nfs/dbraw/zinc/76/20/07/845762007.db2.gz WKMPDGQZAOTCKX-MRVPVSSYSA-N 0 1 376.768 3.566 20 5 GHBDMN CC[C@H]1C[C@]1(NCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1cccc(C)c1 ZINC000502532802 846192828 /nfs/dbraw/zinc/19/28/28/846192828.db2.gz WVRHLYIECBCGAV-YCRPNKLZSA-N 0 1 383.448 3.765 20 5 GHBDMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000421434767 846236304 /nfs/dbraw/zinc/23/63/04/846236304.db2.gz WLFWGKYXLVOSSV-UHFFFAOYSA-N 0 1 382.464 3.524 20 5 GHBDMN COC(=O)[C@H](Cc1ccccc1)[C@H](C)NCc1c(Cl)cccc1[N+](=O)[O-] ZINC000551715857 846488086 /nfs/dbraw/zinc/48/80/86/846488086.db2.gz JGMYLVABVIELMK-DZGCQCFKSA-N 0 1 376.840 3.758 20 5 GHBDMN O=[N+]([O-])c1ccc(NC2CCN(Cc3ccncc3)CC2)c(Br)c1 ZINC000478381954 847057423 /nfs/dbraw/zinc/05/74/23/847057423.db2.gz GLPOLCJTHBBGAD-UHFFFAOYSA-N 0 1 391.269 3.829 20 5 GHBDMN Cc1c(Cl)cc(S(=O)(=O)Nc2ccc(OC(C)C)nc2)cc1[N+](=O)[O-] ZINC000511133792 847351440 /nfs/dbraw/zinc/35/14/40/847351440.db2.gz DLDGVQDBRWKWFQ-UHFFFAOYSA-N 0 1 385.829 3.540 20 5 GHBDMN CCC(=O)c1ccc(Nc2ccc(CCN3CCOCC3)cc2)c([N+](=O)[O-])c1 ZINC000479369155 847611134 /nfs/dbraw/zinc/61/11/34/847611134.db2.gz WDPJMTUIUVLHSR-UHFFFAOYSA-N 0 1 383.448 3.806 20 5 GHBDMN Cc1nc(C)c([C@H](C)[N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)s1 ZINC000128578350 861863170 /nfs/dbraw/zinc/86/31/70/861863170.db2.gz JAZYHIDNIJNQII-NSHDSACASA-N 0 1 380.445 3.829 20 5 GHBDMN CCCCN(C)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000731785223 861891289 /nfs/dbraw/zinc/89/12/89/861891289.db2.gz UGMFTNUTENKPIR-UHFFFAOYSA-N 0 1 393.465 3.641 20 5 GHBDMN Cc1cccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)c1Br ZINC000135677824 848337394 /nfs/dbraw/zinc/33/73/94/848337394.db2.gz PRHBIFMPBFPRGH-UHFFFAOYSA-N 0 1 385.239 3.775 20 5 GHBDMN O=c1ccc([N+](=O)[O-])cn1CCN1Cc2ccccc2C[C@H]1c1ccccc1 ZINC000132247126 861983713 /nfs/dbraw/zinc/98/37/13/861983713.db2.gz GQTKRVVUWNTBTN-NRFANRHFSA-N 0 1 375.428 3.556 20 5 GHBDMN COc1cc(CN2CCc3ccccc3CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000522556130 862059101 /nfs/dbraw/zinc/05/91/01/862059101.db2.gz OUDJSXFUJIXEQZ-UHFFFAOYSA-N 0 1 378.375 3.806 20 5 GHBDMN Cc1c(CN(C)C[C@@H](O)COc2ccccc2C(F)(F)F)cccc1[N+](=O)[O-] ZINC000522553276 862076021 /nfs/dbraw/zinc/07/60/21/862076021.db2.gz KDVIIBAUTXONDZ-OAHLLOKOSA-N 0 1 398.381 3.794 20 5 GHBDMN Cc1ccc(Sc2ccc(CN3CC[C@]4(CNC(=O)C4)C3)cc2[N+](=O)[O-])cc1 ZINC000435054499 850027413 /nfs/dbraw/zinc/02/74/13/850027413.db2.gz CJNPXKJPDWRJEA-NRFANRHFSA-N 0 1 397.500 3.766 20 5 GHBDMN COc1ccc(OCCN2CCC[C@]3(C2)OCc2ccccc23)c([N+](=O)[O-])c1 ZINC000481697652 862090550 /nfs/dbraw/zinc/09/05/50/862090550.db2.gz XOFRFGDQBATWDI-OAQYLSRUSA-N 0 1 384.432 3.504 20 5 GHBDMN CCCc1[nH]nc(C(=O)N2CCc3c(ccc(Cl)c3Cl)C2)c1[N+](=O)[O-] ZINC000518860649 850259921 /nfs/dbraw/zinc/25/99/21/850259921.db2.gz BTAHHULPYRKMSN-UHFFFAOYSA-N 0 1 383.235 3.776 20 5 GHBDMN CN1CCN(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C2(CCCCC2)C1 ZINC001126473147 851054261 /nfs/dbraw/zinc/05/42/61/851054261.db2.gz SBTGLLDATHRMOB-UHFFFAOYSA-N 0 1 385.386 3.704 20 5 GHBDMN O=[N+]([O-])c1c(NCCCN2CCN(c3ccccc3)CC2)ccc2ncccc21 ZINC000515545847 851157600 /nfs/dbraw/zinc/15/76/00/851157600.db2.gz BANLXOKXKKJORI-UHFFFAOYSA-N 0 1 391.475 3.767 20 5 GHBDMN COc1ccc(CCC2CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)CC2)cc1 ZINC000505753269 851182336 /nfs/dbraw/zinc/18/23/36/851182336.db2.gz QJVSMSOOFLEHTD-UHFFFAOYSA-N 0 1 384.432 3.794 20 5 GHBDMN COc1c(F)cc(S(=O)(=O)Nc2cccc3ccsc32)cc1[N+](=O)[O-] ZINC000488218797 851276456 /nfs/dbraw/zinc/27/64/56/851276456.db2.gz GXMMPLLCVCQTQO-UHFFFAOYSA-N 0 1 382.394 3.758 20 5 GHBDMN COc1ccccc1[C@@H](CNc1cc(C(F)(F)F)ncc1[N+](=O)[O-])N(C)C ZINC000436271895 851416641 /nfs/dbraw/zinc/41/66/41/851416641.db2.gz RBXBUNFJVSALLH-CYBMUJFWSA-N 0 1 384.358 3.732 20 5 GHBDMN CCCCc1nc2ccc(NC(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)cc2[nH]1 ZINC000488491752 851561679 /nfs/dbraw/zinc/56/16/79/851561679.db2.gz RCVOIZBADFMLFN-UHFFFAOYSA-N 0 1 382.376 3.795 20 5 GHBDMN COc1ccc2c(c1)CCC[C@H]2N(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000488796644 851790020 /nfs/dbraw/zinc/79/00/20/851790020.db2.gz HLYISJMGSVXCIT-HXUWFJFHSA-N 0 1 383.448 3.860 20 5 GHBDMN O=C(Nc1cccc(-c2nnc[nH]2)c1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000151305153 851894883 /nfs/dbraw/zinc/89/48/83/851894883.db2.gz SPPQMXSLNZOQRV-UHFFFAOYSA-N 0 1 377.282 3.651 20 5 GHBDMN Cc1nnc(SCc2cc(O)ccc2[N+](=O)[O-])n1CCc1cccs1 ZINC000436474368 851961910 /nfs/dbraw/zinc/96/19/10/851961910.db2.gz LHHONTWWWPEWSG-UHFFFAOYSA-N 0 1 376.463 3.797 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C(=O)C(C)(C)C)cc1 ZINC000425949831 852060203 /nfs/dbraw/zinc/06/02/03/852060203.db2.gz JLCHESOASVQTMG-UHFFFAOYSA-N 0 1 376.434 3.933 20 5 GHBDMN CCC(=O)c1ccc(O)c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000436645793 852154563 /nfs/dbraw/zinc/15/45/63/852154563.db2.gz MVZLMFNDFGOLCE-JTQLQIEISA-N 0 1 392.795 3.953 20 5 GHBDMN COc1ccc(C[NH2+][C@H](C(=O)[O-])c2c(Cl)cccc2Cl)cc1[N+](=O)[O-] ZINC000426763057 852371129 /nfs/dbraw/zinc/37/11/29/852371129.db2.gz PMPRXSYQNJNXCB-HNNXBMFYSA-N 0 1 385.203 3.826 20 5 GHBDMN CC1CCN(c2ccc(C(=O)Nc3ncc(C(F)(F)F)[nH]3)cc2[N+](=O)[O-])CC1 ZINC000507026579 852470795 /nfs/dbraw/zinc/47/07/95/852470795.db2.gz HJZQZFXZQNAYNH-UHFFFAOYSA-N 0 1 397.357 3.825 20 5 GHBDMN CCN(C(=O)c1ccc([N+](=O)[O-])cc1[O-])[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000436960516 852532660 /nfs/dbraw/zinc/53/26/60/852532660.db2.gz QVAUZSIPALXBCW-QAPCUYQASA-N 0 1 383.448 3.598 20 5 GHBDMN C[C@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1cc(Cl)ccc1Cl ZINC000426114045 852744833 /nfs/dbraw/zinc/74/48/33/852744833.db2.gz PNAZIVFEXXDTKW-SMDDNHRTSA-N 0 1 385.247 3.992 20 5 GHBDMN Cc1cc(NCc2nccn2CCc2ccccc2)c2cc([N+](=O)[O-])ccc2n1 ZINC000509547232 852895410 /nfs/dbraw/zinc/89/54/10/852895410.db2.gz ZXMVNNVCYUQLNA-UHFFFAOYSA-N 0 1 387.443 3.925 20 5 GHBDMN Cc1ccc([C@H](CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)N2CCCC2)o1 ZINC000506386720 852949407 /nfs/dbraw/zinc/94/94/07/852949407.db2.gz CGZBOTSZEKXROI-KRWDZBQOSA-N 0 1 382.420 3.544 20 5 GHBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1ccc(OC(F)(F)F)cc1 ZINC000490368136 852967172 /nfs/dbraw/zinc/96/71/72/852967172.db2.gz NNJUDAPZWIAFOC-UHFFFAOYSA-N 0 1 393.281 3.531 20 5 GHBDMN CC[C@H](C)c1nc([C@H](C)NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])n[nH]1 ZINC000490349043 852971625 /nfs/dbraw/zinc/97/16/25/852971625.db2.gz MVXIZQHHYCSXDC-UWVGGRQHSA-N 0 1 397.888 3.849 20 5 GHBDMN C[C@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1c(F)cccc1F ZINC000516787785 852999758 /nfs/dbraw/zinc/99/97/58/852999758.db2.gz HBWQQHPEKKXNBJ-QMMMGPOBSA-N 0 1 376.768 3.566 20 5 GHBDMN CC(C)CN(C)c1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1 ZINC000490404140 853014923 /nfs/dbraw/zinc/01/49/23/853014923.db2.gz ZKYBTSZEHNXVOE-UHFFFAOYSA-N 0 1 394.435 3.724 20 5 GHBDMN O=[N+]([O-])c1cccc(CN(C[C@@H](O)COCc2ccccc2Cl)C2CC2)c1 ZINC000490435307 853028520 /nfs/dbraw/zinc/02/85/20/853028520.db2.gz IXSSWARFKZGDOU-LJQANCHMSA-N 0 1 390.867 3.790 20 5 GHBDMN O=C(NCC1(c2cccc(Br)c2)CC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000506474229 853240065 /nfs/dbraw/zinc/24/00/65/853240065.db2.gz LQRFRDVRRHZJLD-UHFFFAOYSA-N 0 1 391.221 3.525 20 5 GHBDMN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H](c2ccccc2)C(F)(F)F)cc1C ZINC000518344145 853241453 /nfs/dbraw/zinc/24/14/53/853241453.db2.gz SJCSRLGEIZIEHZ-OAHLLOKOSA-N 0 1 388.367 3.794 20 5 GHBDMN O=C(NCC[C@@H](c1ccccc1)C(F)(F)F)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000490842433 853305906 /nfs/dbraw/zinc/30/59/06/853305906.db2.gz MSSSNDKFHLHMJD-AWEZNQCLSA-N 0 1 392.337 3.937 20 5 GHBDMN COc1cccc([C@@H](CNC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)N(C)C)c1 ZINC000439251845 853488425 /nfs/dbraw/zinc/48/84/25/853488425.db2.gz XKAZOAARJOTNPI-HXUWFJFHSA-N 0 1 385.464 3.760 20 5 GHBDMN CN(CCc1ccccc1[N+](=O)[O-])Cc1cn2cc(Br)ccc2n1 ZINC000586773237 853534088 /nfs/dbraw/zinc/53/40/88/853534088.db2.gz BPHORODSZKGLOL-UHFFFAOYSA-N 0 1 389.253 3.680 20 5 GHBDMN COc1ccc(CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H](C)C2CC2)cc1 ZINC000052866987 853679040 /nfs/dbraw/zinc/67/90/40/853679040.db2.gz AKTFGMJBGBZCTB-CQSZACIVSA-N 0 1 383.448 3.503 20 5 GHBDMN CC(C)COc1ccc(CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1 ZINC000517370030 853718840 /nfs/dbraw/zinc/71/88/40/853718840.db2.gz CZJYVSVTNSKLMR-UHFFFAOYSA-N 0 1 395.419 3.596 20 5 GHBDMN COc1ccc(CN2CCC([C@@H](C)NC(=O)OC(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000171587332 862497159 /nfs/dbraw/zinc/49/71/59/862497159.db2.gz VPKNIQMNZHZFQF-CQSZACIVSA-N 0 1 393.484 3.729 20 5 GHBDMN Cc1ccc(-c2noc(-c3[nH]cnc3C(=O)c3ccccc3)n2)cc1[N+](=O)[O-] ZINC000589089380 854682100 /nfs/dbraw/zinc/68/21/00/854682100.db2.gz AICGPUDSVOURNC-UHFFFAOYSA-N 0 1 375.344 3.574 20 5 GHBDMN Cc1ccc(-c2noc(-c3nc[nH]c3C(=O)c3ccccc3)n2)cc1[N+](=O)[O-] ZINC000589089380 854682108 /nfs/dbraw/zinc/68/21/08/854682108.db2.gz AICGPUDSVOURNC-UHFFFAOYSA-N 0 1 375.344 3.574 20 5 GHBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000441481618 855254288 /nfs/dbraw/zinc/25/42/88/855254288.db2.gz OFAAIFHTUJJKNX-CQSZACIVSA-N 0 1 379.420 3.980 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N(C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC000273466123 855525339 /nfs/dbraw/zinc/52/53/39/855525339.db2.gz DTTYYUCBOBFGBM-GJZGRUSLSA-N 0 1 390.415 3.573 20 5 GHBDMN CCc1[nH]n(Cc2ccccc2C)c(=O)c1CCNc1cccnc1[N+](=O)[O-] ZINC000590715391 855558851 /nfs/dbraw/zinc/55/88/51/855558851.db2.gz HGIQFMLMWWXLDM-MRXNPFEDSA-N 0 1 381.436 3.525 20 5 GHBDMN COc1ccc(OCCN2CCC(OC3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000441544886 855602955 /nfs/dbraw/zinc/60/29/55/855602955.db2.gz KELNYDGLHUXFHX-UHFFFAOYSA-N 0 1 378.469 3.796 20 5 GHBDMN CC(C)[C@@H](CN(C)Cc1ccccc1)Nc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000520553595 855643540 /nfs/dbraw/zinc/64/35/40/855643540.db2.gz IWIPJZBXBTZXJV-LJQANCHMSA-N 0 1 395.463 3.812 20 5 GHBDMN COc1ccc([C@H](C)NCC(=O)Nc2c(C)cccc2[N+](=O)[O-])c(C)c1OC ZINC000553958414 855707019 /nfs/dbraw/zinc/70/70/19/855707019.db2.gz OCBPXSYLIKBGOR-AWEZNQCLSA-N 0 1 387.436 3.518 20 5 GHBDMN COc1ccc(NC(=O)CCN2CCc3cc(F)ccc3[C@@H]2C)c([N+](=O)[O-])c1 ZINC000591015045 855722416 /nfs/dbraw/zinc/72/24/16/855722416.db2.gz YPNKTILAYZVRSH-ZDUSSCGKSA-N 0 1 387.411 3.690 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCc2cccc(F)c2[C@@H]1C ZINC000591015001 855722638 /nfs/dbraw/zinc/72/26/38/855722638.db2.gz ALHVMRWPTNFWND-ZDUSSCGKSA-N 0 1 387.411 3.690 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCc2cc(F)ccc2[C@H]1C ZINC000591015046 855723305 /nfs/dbraw/zinc/72/33/05/855723305.db2.gz ZCYOCNIUEOXSJY-CYBMUJFWSA-N 0 1 387.411 3.690 20 5 GHBDMN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(F)c(CN(C)C)c1 ZINC000184792708 855889431 /nfs/dbraw/zinc/88/94/31/855889431.db2.gz VDLLVQBQVLZDKE-QGZVFWFLSA-N 0 1 387.455 3.681 20 5 GHBDMN CC(C)(C)c1nc2cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2o1 ZINC000482127578 862739705 /nfs/dbraw/zinc/73/97/05/862739705.db2.gz DLWYWXCIKGCLQT-UHFFFAOYSA-N 0 1 375.406 3.834 20 5 GHBDMN COc1cc(C(=O)N2CCC[C@H](c3nc4ccc(C)cc4[nH]3)C2)ccc1[N+](=O)[O-] ZINC000171194980 856023041 /nfs/dbraw/zinc/02/30/41/856023041.db2.gz WSLZKAWGCYVUMQ-HNNXBMFYSA-N 0 1 394.431 3.808 20 5 GHBDMN O=C(CCN1CC(c2nc3ccccc3s2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000536471043 856177235 /nfs/dbraw/zinc/17/72/35/856177235.db2.gz FUHKURZHIBSFDR-UHFFFAOYSA-N 0 1 382.445 3.633 20 5 GHBDMN C[C@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)[C@@H](C)CN1Cc1ccccc1 ZINC000499439647 856331341 /nfs/dbraw/zinc/33/13/41/856331341.db2.gz XFBVQKPNXWZLID-ROUUACIJSA-N 0 1 381.476 3.649 20 5 GHBDMN O=C(COc1cccc([N+](=O)[O-])c1)Nc1ccc2nc(-c3ccccn3)[nH]c2c1 ZINC000172295634 856393226 /nfs/dbraw/zinc/39/32/26/856393226.db2.gz HYLADDMJNMRCHJ-UHFFFAOYSA-N 0 1 389.371 3.551 20 5 GHBDMN O=C(N[C@@H]1CC=C(c2ccc(F)cc2)CC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000482197500 862796232 /nfs/dbraw/zinc/79/62/32/862796232.db2.gz FEGAEEOAHZRALH-OAHLLOKOSA-N 0 1 380.379 3.976 20 5 GHBDMN CN(C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)c1cccc(C(F)(F)F)c1 ZINC000184841609 856455354 /nfs/dbraw/zinc/45/53/54/856455354.db2.gz OEMDFUQQCUICAB-INIZCTEOSA-N 0 1 399.344 3.785 20 5 GHBDMN CC[C@@H](C)Oc1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1 ZINC000427952840 856923248 /nfs/dbraw/zinc/92/32/48/856923248.db2.gz VPZDJKGMSANXMM-GFCCVEGCSA-N 0 1 381.392 3.810 20 5 GHBDMN COc1ccc([C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2C)N2CCCCC2)cc1 ZINC000027667838 856993522 /nfs/dbraw/zinc/99/35/22/856993522.db2.gz XOQGGGDEFWBYLY-OAQYLSRUSA-N 0 1 397.475 3.869 20 5 GHBDMN CCCc1[nH]nc(C(=O)N2CCC[C@@H](c3nc(C(C)C)cs3)C2)c1[N+](=O)[O-] ZINC000173948989 857185206 /nfs/dbraw/zinc/18/52/06/857185206.db2.gz FCMVIBPCTMAVPA-GFCCVEGCSA-N 0 1 391.497 3.870 20 5 GHBDMN CC(C)Oc1ccc([C@H](C)N[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000520993127 857491262 /nfs/dbraw/zinc/49/12/62/857491262.db2.gz AEKNCVHSWNMXJS-MGPUTAFESA-N 0 1 383.448 3.838 20 5 GHBDMN CSc1cccc(C(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000486439592 857738464 /nfs/dbraw/zinc/73/84/64/857738464.db2.gz ZTAILDCEACGYLE-INIZCTEOSA-N 0 1 385.489 3.663 20 5 GHBDMN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cc(F)ccc2SCC(F)F)c1 ZINC000442357013 857749887 /nfs/dbraw/zinc/74/98/87/857749887.db2.gz OZGQDFWRLUJOKE-UHFFFAOYSA-N 0 1 392.380 3.892 20 5 GHBDMN Cc1nn(C(C)(C)C)cc1[C@@H](C)N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000157983314 858068028 /nfs/dbraw/zinc/06/80/28/858068028.db2.gz IYGKHZYOZBJKCU-HIFRSBDPSA-N 0 1 387.484 3.841 20 5 GHBDMN CS(=O)(=O)C1(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCCCC1 ZINC000594975052 858336009 /nfs/dbraw/zinc/33/60/09/858336009.db2.gz NPTBIOFGLCSVNL-UHFFFAOYSA-N 0 1 392.477 3.692 20 5 GHBDMN CN(Cc1cc(Cl)cc(Cl)c1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000059375278 858341816 /nfs/dbraw/zinc/34/18/16/858341816.db2.gz UJQJYOYUHGTGAE-MRXNPFEDSA-N 0 1 385.247 3.773 20 5 GHBDMN CCN1CC[C@@H](NCc2csc([N+](=O)[O-])c2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543101263 858362890 /nfs/dbraw/zinc/36/28/90/858362890.db2.gz RYSQQTYWXZFXRT-RHSMWYFYSA-N 0 1 385.411 3.999 20 5 GHBDMN CCCCN(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])[C@H]1CCc2ncsc2C1 ZINC000592903718 858376493 /nfs/dbraw/zinc/37/64/93/858376493.db2.gz XITMFMKXBBLIJG-LBPRGKRZSA-N 0 1 391.497 3.698 20 5 GHBDMN COc1ccc(CN2CCC(CN3CCc4ccccc43)CC2)cc1[N+](=O)[O-] ZINC000522097770 858617807 /nfs/dbraw/zinc/61/78/07/858617807.db2.gz ZHWBLEYGJPIFDA-UHFFFAOYSA-N 0 1 381.476 3.878 20 5 GHBDMN COc1cccc([C@@]2(C)CCN(Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C2)c1 ZINC000595765480 858663381 /nfs/dbraw/zinc/66/33/81/858663381.db2.gz LOENUDRVEXAJKG-NRFANRHFSA-N 0 1 394.431 3.817 20 5 GHBDMN Cc1c(NC(=O)[C@H](C)N2CCC[C@@H]([C@H]3CCCCO3)C2)cccc1[N+](=O)[O-] ZINC000595786962 858688211 /nfs/dbraw/zinc/68/82/11/858688211.db2.gz DIVUKACZQFPSFL-FRQCXROJSA-N 0 1 375.469 3.511 20 5 GHBDMN O=C(N[C@H](c1cccc(F)c1)c1ccccn1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000121091479 858704404 /nfs/dbraw/zinc/70/44/04/858704404.db2.gz MTGZDAROOMXBLY-GOSISDBHSA-N 0 1 391.362 3.525 20 5 GHBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000439184333 858712110 /nfs/dbraw/zinc/71/21/10/858712110.db2.gz GRZVCUQXMWUKEM-LAUBAEHRSA-N 0 1 389.415 3.613 20 5 GHBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC3(C=Cc4ccccc4O3)CC2)c1 ZINC000595879374 858725918 /nfs/dbraw/zinc/72/59/18/858725918.db2.gz RPZKLCSTPHRGBL-UHFFFAOYSA-N 0 1 394.427 3.822 20 5 GHBDMN COc1ccc(CC(=O)Nc2ccc3nc([C@@H]4CCCO4)[nH]c3c2)cc1[N+](=O)[O-] ZINC000067819658 858772977 /nfs/dbraw/zinc/77/29/77/858772977.db2.gz LALLDUYXAYCXPJ-SFHVURJKSA-N 0 1 396.403 3.512 20 5 GHBDMN COc1cc(NC2CCN(Cc3ccccn3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596081198 858776080 /nfs/dbraw/zinc/77/60/80/858776080.db2.gz UZZVHNDJOWYRBN-UHFFFAOYSA-N 0 1 376.844 3.728 20 5 GHBDMN Cc1ccc([C@H](C)N[C@@H](Cc2ccccc2)C(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000131028584 859060440 /nfs/dbraw/zinc/06/04/40/859060440.db2.gz SAVCNABRNAFWIK-PXNSSMCTSA-N 0 1 381.476 3.788 20 5 GHBDMN O=C1CC[C@@H]2CN(Cc3ccc(Oc4ccc(F)cc4)c([N+](=O)[O-])c3)CC[C@H]2N1 ZINC000597204653 859360252 /nfs/dbraw/zinc/36/02/52/859360252.db2.gz CEZYVLYTRAXCRB-CRAIPNDOSA-N 0 1 399.422 3.627 20 5 GHBDMN COc1ccc(NC(=O)[C@H](C)Sc2nc3ccc(C)cc3[nH]2)c([N+](=O)[O-])c1 ZINC000007060827 859469460 /nfs/dbraw/zinc/46/94/60/859469460.db2.gz PADAHZWKUMUKNE-NSHDSACASA-N 0 1 386.433 3.907 20 5 GHBDMN CN(C)[C@@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1ccsc1 ZINC000025330468 859649497 /nfs/dbraw/zinc/64/94/97/859649497.db2.gz QVYVPJBEQJEXSF-AWEZNQCLSA-N 0 1 375.475 3.904 20 5 GHBDMN O=C(c1csc([N+](=O)[O-])c1)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000611488372 859783077 /nfs/dbraw/zinc/78/30/77/859783077.db2.gz YDSPZRYGCOTEBY-ZDUSSCGKSA-N 0 1 389.481 3.842 20 5 GHBDMN CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cnn(-c2ccncc2)c1 ZINC000611539581 859800502 /nfs/dbraw/zinc/80/05/02/859800502.db2.gz ISGNYYMOKKAFTP-UHFFFAOYSA-N 0 1 383.433 3.930 20 5 GHBDMN C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000060690768 859832761 /nfs/dbraw/zinc/83/27/61/859832761.db2.gz QCTYFIQTUFYHTG-OAHLLOKOSA-N 0 1 383.448 3.605 20 5 GHBDMN CC[C@H](NCc1cccc(C(=O)NC[C@H]2CCCO2)c1)c1cccc([N+](=O)[O-])c1 ZINC000154248578 860031668 /nfs/dbraw/zinc/03/16/68/860031668.db2.gz QRBRAINWHYFPAE-RTWAWAEBSA-N 0 1 397.475 3.745 20 5 GHBDMN CCCc1[nH]nc(C(=O)N2CC[C@H](c3cc(C)c(Cl)cc3O)C2)c1[N+](=O)[O-] ZINC000598334690 860241717 /nfs/dbraw/zinc/24/17/17/860241717.db2.gz YCEYCEDHKYOQRT-NSHDSACASA-N 0 1 392.843 3.568 20 5 GHBDMN CC[C@@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000124137075 860242976 /nfs/dbraw/zinc/24/29/76/860242976.db2.gz VBTAIDBQXNNYPN-OAHLLOKOSA-N 0 1 377.828 3.936 20 5 GHBDMN COc1cc(NCc2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)ccc1[N+](=O)[O-] ZINC000301332222 860456457 /nfs/dbraw/zinc/45/64/57/860456457.db2.gz BMPNFJCDCOMLGS-HZPDHXFCSA-N 0 1 385.464 3.825 20 5 GHBDMN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)Nc2cccc3[nH]ccc32)c1 ZINC000108759531 860660379 /nfs/dbraw/zinc/66/03/79/860660379.db2.gz FIELFZQLGOBTAB-UHFFFAOYSA-N 0 1 396.222 3.639 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C)c1ccc(Br)cc1 ZINC000192851929 860909895 /nfs/dbraw/zinc/90/98/95/860909895.db2.gz CTNOLBGHDBGYHY-LBPRGKRZSA-N 0 1 392.253 3.955 20 5 GHBDMN C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1 ZINC000603671164 861001910 /nfs/dbraw/zinc/00/19/10/861001910.db2.gz PINKTQWFHBWCMM-HNNXBMFYSA-N 0 1 383.448 3.605 20 5 GHBDMN CC(C)Oc1ccc(F)cc1NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000156960557 861020747 /nfs/dbraw/zinc/02/07/47/861020747.db2.gz VWECYQXDFZXEPT-UHFFFAOYSA-N 0 1 382.413 3.506 20 5 GHBDMN CCO[C@@H]1C[C@H]([N@@H+](C)Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C12CCCCC2 ZINC000593738206 861117445 /nfs/dbraw/zinc/11/74/45/861117445.db2.gz ORNKFZVNTZFIJN-ZWKOTPCHSA-N 0 1 376.453 3.853 20 5 GHBDMN O=[N+]([O-])c1cc(NS(=O)(=O)c2ccccc2Br)ccc1Cl ZINC000007428306 863107680 /nfs/dbraw/zinc/10/76/80/863107680.db2.gz BWIVJYQGQANVHV-UHFFFAOYSA-N 0 1 391.630 3.812 20 5 GHBDMN CCc1[nH]nc(C(=O)N2CCC[C@H]2c2ccc(Br)cc2)c1[N+](=O)[O-] ZINC000444030740 863176537 /nfs/dbraw/zinc/17/65/37/863176537.db2.gz GODZPOYQPKATMY-ZDUSSCGKSA-N 0 1 393.241 3.620 20 5 GHBDMN CCN1CCC[C@@H]1CN(C)C(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444110504 863442210 /nfs/dbraw/zinc/44/22/10/863442210.db2.gz QOZIXNMAFWSTTH-CQSZACIVSA-N 0 1 399.441 3.516 20 5 GHBDMN C[C@@H]1SCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000522835198 863518866 /nfs/dbraw/zinc/51/88/66/863518866.db2.gz NOFADVNBOXNXLZ-CVAIRZPRSA-N 0 1 388.489 3.513 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1CN1CCC(c2ccc3cccnc3n2)CC1 ZINC000594020635 863761410 /nfs/dbraw/zinc/76/14/10/863761410.db2.gz KCIOIMURYWZPBD-UHFFFAOYSA-N 0 1 378.432 3.926 20 5 GHBDMN O=[N+]([O-])c1cccc2c1CCN(C[C@@H](O)Cc1ccc(C(F)(F)F)cc1)C2 ZINC000153053799 881694009 /nfs/dbraw/zinc/69/40/09/881694009.db2.gz UEQCQWRWVTVIAG-INIZCTEOSA-N 0 1 380.366 3.575 20 5 GHBDMN COC(=O)COc1ccc(CN2CCC(c3ccsc3)CC2)cc1[N+](=O)[O-] ZINC000475093552 864150889 /nfs/dbraw/zinc/15/08/89/864150889.db2.gz NZGLKGKXZZORRN-UHFFFAOYSA-N 0 1 390.461 3.588 20 5 GHBDMN Cc1ccc([C@H](CN2CCOCC2)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000480458781 864690765 /nfs/dbraw/zinc/69/07/65/864690765.db2.gz FQSWZCVNGWTUGQ-RXVVDRJESA-N 0 1 383.492 3.936 20 5 GHBDMN Cc1ccc([C@@H](CN2CCOCC2)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000480458783 864691122 /nfs/dbraw/zinc/69/11/22/864691122.db2.gz FQSWZCVNGWTUGQ-WIYYLYMNSA-N 0 1 383.492 3.936 20 5 GHBDMN CCN1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C[C@H]1c1ncc[nH]1 ZINC000475354100 864844698 /nfs/dbraw/zinc/84/46/98/864844698.db2.gz XETDQIGIIPNQIZ-SFHVURJKSA-N 0 1 397.504 3.925 20 5 GHBDMN Cn1c2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2nc1C(C)(C)C ZINC000534059130 866064735 /nfs/dbraw/zinc/06/47/35/866064735.db2.gz MSSXANZZPDSCAF-UHFFFAOYSA-N 0 1 388.449 3.580 20 5 GHBDMN C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000444399175 866065164 /nfs/dbraw/zinc/06/51/64/866065164.db2.gz JJSVUUVEKMCOOA-PIGZYNQJSA-N 0 1 376.796 3.556 20 5 GHBDMN COC[C@@H](CO)NCc1ccc(Oc2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])c1 ZINC000475509990 866123530 /nfs/dbraw/zinc/12/35/30/866123530.db2.gz QLQIMCBCRGNVTN-QGZVFWFLSA-N 0 1 388.464 3.782 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCNC(C)(C)c1nc2ccccc2n1C ZINC000186565011 866158480 /nfs/dbraw/zinc/15/84/80/866158480.db2.gz XJMJILGNTJWPHF-UHFFFAOYSA-N 0 1 395.463 3.643 20 5 GHBDMN C[C@H]1C[C@@H](C(F)(F)F)CCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000456130452 866162844 /nfs/dbraw/zinc/16/28/44/866162844.db2.gz PZWUFUNKORULJY-JQWIXIFHSA-N 0 1 382.342 3.788 20 5 GHBDMN CC(C)(C)c1ccc(C(=O)NC[C@@H](c2nc[nH]n2)c2ccccc2)cc1[N+](=O)[O-] ZINC000456708152 867048826 /nfs/dbraw/zinc/04/88/26/867048826.db2.gz VOBJEUZPWASTDI-MRXNPFEDSA-N 0 1 393.447 3.572 20 5 GHBDMN O=[N+]([O-])c1ccc(Sc2nc(-c3cc(F)cc(F)c3)n[nH]2)c([N+](=O)[O-])c1 ZINC000742415396 867281506 /nfs/dbraw/zinc/28/15/06/867281506.db2.gz UAYCDUWDJWJKDN-UHFFFAOYSA-N 0 1 379.304 3.718 20 5 GHBDMN CN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CCN(CCC(F)(F)F)CC1 ZINC000457081937 867628592 /nfs/dbraw/zinc/62/85/92/867628592.db2.gz IKDNJWLKPHYUSS-UHFFFAOYSA-N 0 1 393.793 3.737 20 5 GHBDMN CN(C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21)C1CCN(CCC(F)(F)F)CC1 ZINC000457093648 867650343 /nfs/dbraw/zinc/65/03/43/867650343.db2.gz YLKRFANGYRCKEY-UHFFFAOYSA-N 0 1 398.385 3.565 20 5 GHBDMN CCc1[nH]nc(C(=O)N(Cc2c(Cl)cccc2Cl)C2CC2)c1[N+](=O)[O-] ZINC000553638249 867807570 /nfs/dbraw/zinc/80/75/70/867807570.db2.gz AYGWALPMSKYPFE-UHFFFAOYSA-N 0 1 383.235 3.992 20 5 GHBDMN C[C@H](N[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C(=O)N1Cc2ccccc2C1 ZINC000479491523 867875781 /nfs/dbraw/zinc/87/57/81/867875781.db2.gz SZVHRYDAQMKYHC-XOBRGWDASA-N 0 1 379.460 3.838 20 5 GHBDMN CCN(CC)CC(=O)Nc1cccc(NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000553738609 868088547 /nfs/dbraw/zinc/08/85/47/868088547.db2.gz CBYNHSRHJKTSJZ-HNNXBMFYSA-N 0 1 398.463 3.617 20 5 GHBDMN O=C(NCc1ccccc1)[C@@H](Cc1ccccc1)NCc1cccc([N+](=O)[O-])c1 ZINC000524115046 868556805 /nfs/dbraw/zinc/55/68/05/868556805.db2.gz YPUOIRVIWQXSAL-JOCHJYFZSA-N 0 1 389.455 3.612 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2ccc(CN[C@@H]3C=C[C@H](CO)C3)o2)c(Br)c1 ZINC000129789949 868806930 /nfs/dbraw/zinc/80/69/30/868806930.db2.gz QWIIKAFYTLRRTF-NWDGAFQWSA-N 0 1 393.237 3.644 20 5 GHBDMN CCc1ccc(N2CCN(CCC(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)cc1 ZINC000744422550 868824616 /nfs/dbraw/zinc/82/46/16/868824616.db2.gz IQUFVORVMQVQMP-UHFFFAOYSA-N 0 1 396.491 3.616 20 5 GHBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC000535549668 868959789 /nfs/dbraw/zinc/95/97/89/868959789.db2.gz FORYLXFOGRHRTG-QZTJIDSGSA-N 0 1 380.510 3.869 20 5 GHBDMN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](C)N1CCc2ccccc2C1 ZINC000462416595 869398744 /nfs/dbraw/zinc/39/87/44/869398744.db2.gz KGTZLQLNAPIBIC-IEBWSBKVSA-N 0 1 395.503 3.727 20 5 GHBDMN Cc1ccc(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cc1 ZINC000462467837 869481918 /nfs/dbraw/zinc/48/19/18/869481918.db2.gz KTJMSCDLTXKLFG-UHFFFAOYSA-N 0 1 375.233 3.689 20 5 GHBDMN CC(C)(C)OC(=O)N1CC[C@@]2(CCN(C/C=C/c3ccccc3[N+](=O)[O-])C2)C1 ZINC000793604196 882306438 /nfs/dbraw/zinc/30/64/38/882306438.db2.gz ITUMFKSLTIAVRG-HSTAZWAASA-N 0 1 387.480 3.941 20 5 GHBDMN COc1ccc(CN2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)cc1[N+](=O)[O-] ZINC000539764957 869744125 /nfs/dbraw/zinc/74/41/25/869744125.db2.gz FHIKRASPZVAODG-KRWDZBQOSA-N 0 1 393.447 3.768 20 5 GHBDMN CNc1c(C(=O)Nc2ccc3nc([C@H]4CCCO4)[nH]c3c2)cccc1[N+](=O)[O-] ZINC000462781791 870059262 /nfs/dbraw/zinc/05/92/62/870059262.db2.gz SUSQDHVBEIRQGW-MRXNPFEDSA-N 0 1 381.392 3.617 20 5 GHBDMN Cc1ccc(NC(=O)c2ccc(N3CC[N@H+](C)[C@H](C)[C@@H]3C)c([N+](=O)[O-])c2)cc1 ZINC000540026515 870238945 /nfs/dbraw/zinc/23/89/45/870238945.db2.gz GHRAKNOHWVHLPF-CVEARBPZSA-N 0 1 382.464 3.684 20 5 GHBDMN Cc1ccc(NC(=O)c2ccc(N3CCN(C)[C@H](C)[C@@H]3C)c([N+](=O)[O-])c2)cc1 ZINC000540026515 870238957 /nfs/dbraw/zinc/23/89/57/870238957.db2.gz GHRAKNOHWVHLPF-CVEARBPZSA-N 0 1 382.464 3.684 20 5 GHBDMN O=C(CCCc1ccc(F)c(F)c1)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000446815746 870415886 /nfs/dbraw/zinc/41/58/86/870415886.db2.gz YPDVKBMTVFBHHK-UHFFFAOYSA-N 0 1 387.346 3.620 20 5 GHBDMN CC[C@H](CS(=O)(=O)c1ccccc1)N[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000540145217 870598879 /nfs/dbraw/zinc/59/88/79/870598879.db2.gz YPKMRAMHTBPRAS-HZPDHXFCSA-N 0 1 376.478 3.806 20 5 GHBDMN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccccc12 ZINC000181328985 870826782 /nfs/dbraw/zinc/82/67/82/870826782.db2.gz JVULRYJBJOEXJU-UHFFFAOYSA-N 0 1 385.401 3.507 20 5 GHBDMN CC(C)Oc1ccccc1[C@@H](C)NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000540324651 871022169 /nfs/dbraw/zinc/02/21/69/871022169.db2.gz DMZUEDOBRSUIKI-OAHLLOKOSA-N 0 1 383.448 3.622 20 5 GHBDMN C[C@@H](Cc1ccsc1)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000525689865 871247326 /nfs/dbraw/zinc/24/73/26/871247326.db2.gz DACQKBKTGVHFKY-QMMMGPOBSA-N 0 1 395.289 3.873 20 5 GHBDMN Cc1cccc(NC(=O)NC(=O)CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1C ZINC000181825034 871526715 /nfs/dbraw/zinc/52/67/15/871526715.db2.gz BIZULGMNLSLJIS-HNNXBMFYSA-N 0 1 384.436 3.519 20 5 GHBDMN C[C@H](NCCN1c2cccc3cccc(c23)S1(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000539280567 871629820 /nfs/dbraw/zinc/62/98/20/871629820.db2.gz MTXQGFFYJYUUTN-AWEZNQCLSA-N 0 1 397.456 3.608 20 5 GHBDMN COc1ccc(NC(=O)CCN[C@H](C)c2cccc(F)c2F)c([N+](=O)[O-])c1 ZINC000181968618 871695294 /nfs/dbraw/zinc/69/52/94/871695294.db2.gz QDJAYJSPQRGJBS-LLVKDONJSA-N 0 1 379.363 3.561 20 5 GHBDMN CCOc1ccc([C@H](C)NCc2ccc(C)c(S(C)(=O)=O)c2)cc1[N+](=O)[O-] ZINC000447566849 871877509 /nfs/dbraw/zinc/87/75/09/871877509.db2.gz WYKRQKZCJKSSIS-AWEZNQCLSA-N 0 1 392.477 3.556 20 5 GHBDMN O=C(NC1CC1)c1ccc(CNCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 ZINC000618731769 871922487 /nfs/dbraw/zinc/92/24/87/871922487.db2.gz HSIRNNQAXLDSGB-UHFFFAOYSA-N 0 1 393.365 3.796 20 5 GHBDMN CN(C)[C@H]1CCOc2c(NC(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)cccc21 ZINC000447728206 872170315 /nfs/dbraw/zinc/17/03/15/872170315.db2.gz LBQZUWGGCAOOLO-INIZCTEOSA-N 0 1 380.404 3.714 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC000447786515 872297466 /nfs/dbraw/zinc/29/74/66/872297466.db2.gz GQSFEYCMKVCMEX-UHFFFAOYSA-N 0 1 378.303 3.862 20 5 GHBDMN CC(C)(C)OC(=O)CC[C@H]1CCCCN1CCOc1ccccc1[N+](=O)[O-] ZINC001195384851 872382520 /nfs/dbraw/zinc/38/25/20/872382520.db2.gz GPUWELVOGPZNJI-MRXNPFEDSA-N 0 1 378.469 3.950 20 5 GHBDMN Cn1c(=O)sc2cc(CNCc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)ccc21 ZINC000526988366 872427599 /nfs/dbraw/zinc/42/75/99/872427599.db2.gz QAMBEIPERCDXQG-UHFFFAOYSA-N 0 1 397.378 3.817 20 5 GHBDMN CCOc1ccc(NC(=O)CN2CCC[C@@H]2CC2CCCC2)c([N+](=O)[O-])c1 ZINC001195637640 872526487 /nfs/dbraw/zinc/52/64/87/872526487.db2.gz ATLKPVJGVUEFJY-MRXNPFEDSA-N 0 1 375.469 3.977 20 5 GHBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCC[C@@H]([C@@H](C)O)C2)cc1OC ZINC000541059425 872816916 /nfs/dbraw/zinc/81/69/16/872816916.db2.gz GIPXEAYLEHPOFD-ARFHVFGLSA-N 0 1 380.485 3.621 20 5 GHBDMN CC(C)(CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1c(F)cccc1Cl ZINC000464142392 873308322 /nfs/dbraw/zinc/30/83/22/873308322.db2.gz RKCBASQJWIZICJ-UHFFFAOYSA-N 0 1 390.802 3.971 20 5 GHBDMN CCCc1[nH]nc(C(=O)N2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)c1[N+](=O)[O-] ZINC000768624436 873417423 /nfs/dbraw/zinc/41/74/23/873417423.db2.gz PGFAZWPSOHWGHQ-LBPRGKRZSA-N 0 1 396.369 3.919 20 5 GHBDMN COc1ccc(CN(Cc2ccc([N+](=O)[O-])cc2F)[C@H](CO)C(C)C)cc1 ZINC000491317463 873514549 /nfs/dbraw/zinc/51/45/49/873514549.db2.gz SYTCNPDZFQICRR-HXUWFJFHSA-N 0 1 376.428 3.762 20 5 GHBDMN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)c1 ZINC000768866798 873631150 /nfs/dbraw/zinc/63/11/50/873631150.db2.gz BZQLFZKLZABBNF-UHFFFAOYSA-N 0 1 385.785 3.574 20 5 GHBDMN Cc1c(CN2CCN(c3cccc([N+](=O)[O-])c3)CC2)sc2nc(C)nc(C)c12 ZINC000768901666 873659660 /nfs/dbraw/zinc/65/96/60/873659660.db2.gz LYMANYWGOABMCL-UHFFFAOYSA-N 0 1 397.504 3.847 20 5 GHBDMN Cc1c(C(=O)Nc2nc3ccc(Br)cc3[nH]2)cccc1[N+](=O)[O-] ZINC000464565769 874086733 /nfs/dbraw/zinc/08/67/33/874086733.db2.gz AYXKKQYEICQPBV-UHFFFAOYSA-N 0 1 375.182 3.794 20 5 GHBDMN O=C(Nc1nc2ccc(Br)cc2[nH]1)c1ccc([N+](=O)[O-])cc1F ZINC000464580689 874114481 /nfs/dbraw/zinc/11/44/81/874114481.db2.gz KYBCLNZDUOSTSL-UHFFFAOYSA-N 0 1 379.145 3.625 20 5 GHBDMN COc1cc(CN(C)CC(C)(C)CO)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000449415554 874811350 /nfs/dbraw/zinc/81/13/50/874811350.db2.gz OSDVSVKKAJTDBG-UHFFFAOYSA-N 0 1 388.464 3.633 20 5 GHBDMN CN(C)c1ccc(C2CCN(C(=O)c3[nH]nc4ccc([N+](=O)[O-])cc43)CC2)cc1 ZINC000775972960 875002227 /nfs/dbraw/zinc/00/22/27/875002227.db2.gz BBAJTDABIDMPQB-UHFFFAOYSA-N 0 1 393.447 3.557 20 5 GHBDMN C[C@H](N[C@@H](C)c1ccc(-n2cccn2)c(F)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000549886381 875784192 /nfs/dbraw/zinc/78/41/92/875784192.db2.gz MJWUSCWIEKMSGV-KBPBESRZSA-N 0 1 397.410 3.597 20 5 GHBDMN CCn1nc(C)c([N+](=O)[O-])c1NCc1ccccc1CN(C)Cc1ccco1 ZINC000192622086 882970517 /nfs/dbraw/zinc/97/05/17/882970517.db2.gz PJYCLBBRTGQVFI-UHFFFAOYSA-N 0 1 383.452 3.957 20 5 GHBDMN Cc1cc(N2C[C@@H](c3ccccc3)[C@](F)(CO)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000450659634 876743902 /nfs/dbraw/zinc/74/39/02/876743902.db2.gz QWMAMCNFYNBCRX-GHTZIAJQSA-N 0 1 381.407 3.756 20 5 GHBDMN Cc1cc(S(=O)(=O)Nc2ccc(Br)c(F)c2)ccc1[N+](=O)[O-] ZINC000460857485 876815753 /nfs/dbraw/zinc/81/57/53/876815753.db2.gz RIQCNKJJYVHIGJ-UHFFFAOYSA-N 0 1 389.202 3.606 20 5 GHBDMN CC(C)(C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000610060288 877343451 /nfs/dbraw/zinc/34/34/51/877343451.db2.gz OTUGKDMNUMZRLQ-LJQANCHMSA-N 0 1 381.476 3.653 20 5 GHBDMN C[C@H](NCC(=O)Nc1ccnn1CC1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000451104215 877401649 /nfs/dbraw/zinc/40/16/49/877401649.db2.gz QMWADXCQLAWWLB-HNNXBMFYSA-N 0 1 385.468 3.661 20 5 GHBDMN CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NC[C@@H](c1ccsc1)N(C)C ZINC000610128763 877442743 /nfs/dbraw/zinc/44/27/43/877442743.db2.gz GJKHSWVKBABNRZ-HNNXBMFYSA-N 0 1 381.429 3.687 20 5 GHBDMN COc1ccc(C(=O)N[C@H]2CCc3nc(C4CCCCC4)[nH]c3C2)cc1[N+](=O)[O-] ZINC000788242865 877942333 /nfs/dbraw/zinc/94/23/33/877942333.db2.gz JMYZSVCWGZXYDS-HNNXBMFYSA-N 0 1 398.463 3.662 20 5 GHBDMN Cc1c(CN2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)cccc1[N+](=O)[O-] ZINC000537853464 878432061 /nfs/dbraw/zinc/43/20/61/878432061.db2.gz KYZMJYNPWBPRLZ-HNNXBMFYSA-N 0 1 381.354 3.970 20 5 GHBDMN O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)cc1 ZINC000537854473 878434740 /nfs/dbraw/zinc/43/47/40/878434740.db2.gz DMZWBADVFXIPOX-INIZCTEOSA-N 0 1 381.354 3.704 20 5 GHBDMN COc1ccc(CN2CCC(COc3ccc(Cl)nc3)CC2)cc1[N+](=O)[O-] ZINC000789312379 878831010 /nfs/dbraw/zinc/83/10/10/878831010.db2.gz SHLOJIGTBNFAKQ-UHFFFAOYSA-N 0 1 391.855 3.943 20 5 GHBDMN O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000609161213 878856750 /nfs/dbraw/zinc/85/67/50/878856750.db2.gz CVYDTPJEUSOALC-JOCHJYFZSA-N 0 1 386.411 3.919 20 5 GHBDMN Cc1ccc(C=Cc2n[nH]c(SCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])n2)o1 ZINC000789907360 879352459 /nfs/dbraw/zinc/35/24/59/879352459.db2.gz HPFWEEOIMPAODK-VOTSOKGWSA-N 0 1 387.377 3.985 20 5 GHBDMN Cc1c(Cl)cccc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000790381822 879651655 /nfs/dbraw/zinc/65/16/55/879651655.db2.gz CIXWTZDASOOVCN-UHFFFAOYSA-N 0 1 399.812 3.882 20 5 GHBDMN Cc1c(CN[C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)cccc1[N+](=O)[O-] ZINC000790543120 879833417 /nfs/dbraw/zinc/83/34/17/879833417.db2.gz LZZVXSJPLOTQSB-INIZCTEOSA-N 0 1 377.803 3.591 20 5 GHBDMN COc1cc2c(cc1F)CN(CCc1ncc(-c3cccc([N+](=O)[O-])c3)o1)CC2 ZINC000538637738 879878299 /nfs/dbraw/zinc/87/82/99/879878299.db2.gz OIQUDMUGFZFOBJ-UHFFFAOYSA-N 0 1 397.406 3.998 20 5 GHBDMN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000494069004 879892677 /nfs/dbraw/zinc/89/26/77/879892677.db2.gz MALLAPNXMQBZPZ-WMLDXEAASA-N 0 1 387.867 3.949 20 5 GHBDMN Cc1[nH]nc2cc(NS(=O)(=O)c3cc([N+](=O)[O-])c(Cl)cc3C)ccc12 ZINC000093909383 912511996 /nfs/dbraw/zinc/51/19/96/912511996.db2.gz RPEWCCHTAPSDAV-UHFFFAOYSA-N 0 1 380.813 3.542 20 5 GHBDMN COc1ccc(CCN(Cc2ccccc2)C(=O)c2n[nH]c(C)c2[N+](=O)[O-])cc1 ZINC000609171193 880135190 /nfs/dbraw/zinc/13/51/90/880135190.db2.gz DYENLEXYGIEVKR-UHFFFAOYSA-N 0 1 394.431 3.520 20 5 GHBDMN CC(C)(C)S(=O)(=O)CCNCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000113344462 880520310 /nfs/dbraw/zinc/52/03/10/880520310.db2.gz PXHANHBJAWHMIO-UHFFFAOYSA-N 0 1 382.507 3.626 20 5 GHBDMN COc1ccc(C[C@H]2CCCN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)cc1 ZINC000520262433 880526715 /nfs/dbraw/zinc/52/67/15/880526715.db2.gz CBOIOSLRISGUEB-QGZVFWFLSA-N 0 1 398.459 3.925 20 5 GHBDMN C[C@]12CCCN1C[C@@H](c1noc(-c3cc(C(F)(F)F)ccc3[N+](=O)[O-])n1)OC2 ZINC000453174830 880541435 /nfs/dbraw/zinc/54/14/35/880541435.db2.gz AVGOXDOEYRZCCO-XJKSGUPXSA-N 0 1 398.341 3.589 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2nc(CNCCN3Cc4ccccc4C3)cs2)c1 ZINC000609598585 883431677 /nfs/dbraw/zinc/43/16/77/883431677.db2.gz BWGCYSCJJLVNCZ-UHFFFAOYSA-N 0 1 380.473 3.824 20 5 GHBDMN O=C1CCCN1C[C@H](N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000192684734 883576306 /nfs/dbraw/zinc/57/63/06/883576306.db2.gz RITDCJDAMJJNGM-RTWAWAEBSA-N 0 1 379.460 3.926 20 5 GHBDMN O=c1cc(CN2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c2c(ccc3ccccc32)o1 ZINC000286408162 912733436 /nfs/dbraw/zinc/73/34/36/912733436.db2.gz HTCNQNVOPCJNKS-WBVHZDCISA-N 0 1 391.389 3.939 20 5 GHBDMN C[C@H]1CN(c2cccc(Cl)c2)CCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC001170501121 884455391 /nfs/dbraw/zinc/45/53/91/884455391.db2.gz MWFONNLWOSKNNK-HNNXBMFYSA-N 0 1 375.856 3.838 20 5 GHBDMN O=C(c1cc([N+](=O)[O-])cc2ccccc21)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000860503376 884745912 /nfs/dbraw/zinc/74/59/12/884745912.db2.gz DANJEOGYQDGCQC-OAHLLOKOSA-N 0 1 391.431 3.763 20 5 GHBDMN Cc1cc2c[nH]nc2cc1NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C ZINC000130642546 884865734 /nfs/dbraw/zinc/86/57/34/884865734.db2.gz WMVOEUFZDQIOEF-UHFFFAOYSA-N 0 1 380.813 3.542 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1CCCCN1Cc1cccc(C)c1 ZINC001127483889 885484750 /nfs/dbraw/zinc/48/47/50/885484750.db2.gz GCJQAXSOSWUELA-HXUWFJFHSA-N 0 1 397.475 3.583 20 5 GHBDMN Cc1cc(C(=O)N2CCN(Cc3ccccc3)[C@@H](C(C)C)C2)cc([N+](=O)[O-])c1 ZINC001131027678 885644648 /nfs/dbraw/zinc/64/46/48/885644648.db2.gz ONCSFXGZZWJXLM-OAQYLSRUSA-N 0 1 381.476 3.886 20 5 GHBDMN COc1ccccc1[C@@H](CNC(=O)c1c(C)cccc1[N+](=O)[O-])N1CCCCC1 ZINC000193353925 885670812 /nfs/dbraw/zinc/67/08/12/885670812.db2.gz OGSVBPJTBQSBEH-LJQANCHMSA-N 0 1 397.475 3.869 20 5 GHBDMN Cc1ccc(CN2CC[C@H](N[C@H]3CCCc4ccc([N+](=O)[O-])cc43)C2=O)cc1 ZINC000193354084 885670832 /nfs/dbraw/zinc/67/08/32/885670832.db2.gz PTUJNNFRJKRVDW-SFTDATJTSA-N 0 1 379.460 3.671 20 5 GHBDMN COc1c(C(=O)N2CCC[C@H](c3nc4ccc(C)cc4[nH]3)C2)cccc1[N+](=O)[O-] ZINC000476432069 885786470 /nfs/dbraw/zinc/78/64/70/885786470.db2.gz KTMCLVASBNILPG-AWEZNQCLSA-N 0 1 394.431 3.808 20 5 GHBDMN O=C(OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1c(F)cc(O)cc1F ZINC000760520414 885911889 /nfs/dbraw/zinc/91/18/89/885911889.db2.gz SBGVDBZPQXEWMX-UHFFFAOYSA-N 0 1 376.271 3.591 20 5 GHBDMN CCN(CCCOc1ccc([N+](=O)[O-])cc1)CC(=O)Nc1c(C)cccc1C ZINC000130142310 885943735 /nfs/dbraw/zinc/94/37/35/885943735.db2.gz FHERBMWKFLEKPE-UHFFFAOYSA-N 0 1 385.464 3.941 20 5 GHBDMN COC(=O)c1cc(C)nc(Nc2c(C)nn(-c3ccccc3)c2C)c1[N+](=O)[O-] ZINC000550735235 886142671 /nfs/dbraw/zinc/14/26/71/886142671.db2.gz HLTHVQPTYAYJAD-UHFFFAOYSA-N 0 1 381.392 3.631 20 5 GHBDMN CC[C@H](CNC(=O)c1ccc(SC)c([N+](=O)[O-])c1)N1CCc2ccccc2C1 ZINC000032446308 886544990 /nfs/dbraw/zinc/54/49/90/886544990.db2.gz YRFQPMUVUJRGAR-GOSISDBHSA-N 0 1 399.516 3.883 20 5 GHBDMN O=C(Nc1ccc(-c2nc3ccc(F)cc3[nH]2)cc1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000193557795 886722564 /nfs/dbraw/zinc/72/25/64/886722564.db2.gz NQIANQJUYSWHKF-UHFFFAOYSA-N 0 1 393.334 3.630 20 5 GHBDMN C[C@@H](NCCOc1ccc([N+](=O)[O-])cc1)c1cc(Br)ncc1F ZINC000762760971 886805473 /nfs/dbraw/zinc/80/54/73/886805473.db2.gz IIRVSNDMFZFZOE-SNVBAGLBSA-N 0 1 384.205 3.621 20 5 GHBDMN COc1ccc(C[N@H+]2CCCN(C(=O)Nc3ccc([N+](=O)[O-])c(C)c3)CC2)cc1 ZINC000193618257 887006326 /nfs/dbraw/zinc/00/63/26/887006326.db2.gz BRDPXKFSICJVPP-UHFFFAOYSA-N 0 1 398.463 3.652 20 5 GHBDMN COc1ccc(CN2CCCN(C(=O)Nc3ccc([N+](=O)[O-])c(C)c3)CC2)cc1 ZINC000193618257 887006340 /nfs/dbraw/zinc/00/63/40/887006340.db2.gz BRDPXKFSICJVPP-UHFFFAOYSA-N 0 1 398.463 3.652 20 5 GHBDMN O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc(-c3ccc4[nH]cnc4c3)no2)c1 ZINC000809409862 887409549 /nfs/dbraw/zinc/40/95/49/887409549.db2.gz SZNOYCAKWGUPLQ-UHFFFAOYSA-N 0 1 376.376 3.788 20 5 GHBDMN C[C@@H](Cn1ccc2ccccc21)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000496073902 887468876 /nfs/dbraw/zinc/46/88/76/887468876.db2.gz SRDQICUQEUAZFT-ZDUSSCGKSA-N 0 1 390.403 3.609 20 5 GHBDMN Cc1ccc2nc([C@H]3CCCN3C(=O)Cc3cccc(F)c3[N+](=O)[O-])[nH]c2c1 ZINC000865052770 888160783 /nfs/dbraw/zinc/16/07/83/888160783.db2.gz GMAWQMMKCRJLKR-QGZVFWFLSA-N 0 1 382.395 3.825 20 5 GHBDMN COc1cc(CN[C@H](C)c2ccc(N3CCCCC3=O)cc2)ccc1[N+](=O)[O-] ZINC000810126112 888188191 /nfs/dbraw/zinc/18/81/91/888188191.db2.gz CPOUUVNCNWXKJD-OAHLLOKOSA-N 0 1 383.448 3.971 20 5 GHBDMN Cc1ccc(CN[C@@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000532858988 889102949 /nfs/dbraw/zinc/10/29/49/889102949.db2.gz SSCMQWAHGGBFMJ-APWZRJJASA-N 0 1 391.830 3.757 20 5 GHBDMN Cc1ccc(CN[C@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000532858990 889103167 /nfs/dbraw/zinc/10/31/67/889103167.db2.gz SSCMQWAHGGBFMJ-LPHOPBHVSA-N 0 1 391.830 3.757 20 5 GHBDMN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNC[C@H](O)COc1ccc(F)cc1 ZINC000811475458 889660945 /nfs/dbraw/zinc/66/09/45/889660945.db2.gz GBWZKQGGVIEOCS-ZDUSSCGKSA-N 0 1 389.210 3.570 20 5 GHBDMN C[C@@H](c1ccncc1)N1CCC(NC(=S)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000747717699 889664554 /nfs/dbraw/zinc/66/45/54/889664554.db2.gz PLONXSLNAKSBOS-AWEZNQCLSA-N 0 1 385.493 3.502 20 5 GHBDMN CCCN(CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@@H]1CCc2ccccc21 ZINC000533256444 890109103 /nfs/dbraw/zinc/10/91/03/890109103.db2.gz XXMLMOZTZYRBQA-QGZVFWFLSA-N 0 1 397.431 3.662 20 5 GHBDMN COc1ccc(NC(=O)[C@H](C)N2C[C@H](c3ccccc3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000533297970 890238171 /nfs/dbraw/zinc/23/81/71/890238171.db2.gz RHASGYKTIKNLMQ-YQQAZPJKSA-N 0 1 383.448 3.808 20 5 GHBDMN COc1c(C)cnc(CN2CCC(N(C)c3ccccc3[N+](=O)[O-])CC2)c1C ZINC000301198124 890855865 /nfs/dbraw/zinc/85/58/65/890855865.db2.gz OKBPPELKDUEEMD-UHFFFAOYSA-N 0 1 384.480 3.716 20 5 GHBDMN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1ccccc1Cn1cncn1 ZINC000872020289 891119637 /nfs/dbraw/zinc/11/96/37/891119637.db2.gz FHEXLBAPYCPMMW-CQSZACIVSA-N 0 1 383.477 3.807 20 5 GHBDMN C[C@@](O)(CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1ccsc1 ZINC000124123170 891276027 /nfs/dbraw/zinc/27/60/27/891276027.db2.gz YABDTHZTYJJNSF-QGZVFWFLSA-N 0 1 375.475 3.777 20 5 GHBDMN COc1ccc2cc(CNS(=O)(=O)c3cc(C)sc3[N+](=O)[O-])ccc2c1 ZINC001185010383 913575787 /nfs/dbraw/zinc/57/57/87/913575787.db2.gz HSJKVFFPQLZNMU-UHFFFAOYSA-N 0 1 392.458 3.605 20 5 GHBDMN C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000475992375 891907610 /nfs/dbraw/zinc/90/76/10/891907610.db2.gz VTFHGDNEDSYYBY-HNNXBMFYSA-N 0 1 383.448 3.605 20 5 GHBDMN CCOC(=O)c1csc(C2CCN(Cc3ccc([N+](=O)[O-])cc3C)CC2)n1 ZINC000192035997 892030724 /nfs/dbraw/zinc/03/07/24/892030724.db2.gz KOLVBOMBFWYQBC-UHFFFAOYSA-N 0 1 389.477 3.916 20 5 GHBDMN Cn1cc([N+](=O)[O-])c(C(=O)Nc2cccc(Cl)c2SCC(F)F)n1 ZINC000497735232 892290198 /nfs/dbraw/zinc/29/01/98/892290198.db2.gz WIQMJUWCBCIPHY-UHFFFAOYSA-N 0 1 376.772 3.591 20 5 GHBDMN CCCCCC[C@@H](C)C(=O)Nc1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC001134198121 892460849 /nfs/dbraw/zinc/46/08/49/892460849.db2.gz SAMKRWOGHNBKNY-MRXNPFEDSA-N 0 1 376.501 3.892 20 5 GHBDMN CC(C)(C)OC(=O)N1CCC2(C1)CCN(Cc1ccc([N+](=O)[O-])c(F)c1)CC2 ZINC000814646345 893038369 /nfs/dbraw/zinc/03/83/69/893038369.db2.gz ZHBRSTPDZMKANJ-UHFFFAOYSA-N 0 1 393.459 3.957 20 5 GHBDMN CCc1[nH]nc(C(=O)N2CCC(c3c[nH]c4ccc(F)cc43)CC2)c1[N+](=O)[O-] ZINC000288356588 913740905 /nfs/dbraw/zinc/74/09/05/913740905.db2.gz UCKFYZMUAPISSS-UHFFFAOYSA-N 0 1 385.399 3.521 20 5 GHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC3)cc1Br ZINC000918148286 893270186 /nfs/dbraw/zinc/27/01/86/893270186.db2.gz YKWLGUWVJRUZTE-UHFFFAOYSA-N 0 1 397.250 3.647 20 5 GHBDMN C[C@H](NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])c1c(F)cccc1F ZINC000814995632 893327725 /nfs/dbraw/zinc/32/77/25/893327725.db2.gz DIGZBAFXVBPWGO-ZETCQYMHSA-N 0 1 394.758 3.705 20 5 GHBDMN CC[C@@H](NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])c1nc(C)cs1 ZINC000815009954 893332620 /nfs/dbraw/zinc/33/26/20/893332620.db2.gz NMUPVZYFFDNSCT-SNVBAGLBSA-N 0 1 393.849 3.582 20 5 GHBDMN O=[N+]([O-])c1cnn(C2CC(N[C@H](c3cccc(Cl)c3)c3ccccn3)C2)c1 ZINC000877085771 893475543 /nfs/dbraw/zinc/47/55/43/893475543.db2.gz REDOWLROAVZDKV-LADRWXRNSA-N 0 1 383.839 3.922 20 5 GHBDMN Cc1ccc(CN[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c(OC[C@@H]2CCOC2)c1 ZINC000815587805 894027942 /nfs/dbraw/zinc/02/79/42/894027942.db2.gz UCWHFTIEABXFBW-HZPDHXFCSA-N 0 1 385.464 3.752 20 5 GHBDMN CCN(CC)CC(=O)Nc1cccc(N[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000815626709 894058870 /nfs/dbraw/zinc/05/88/70/894058870.db2.gz KIIGDQPHWXPYKU-CQSZACIVSA-N 0 1 385.468 3.630 20 5 GHBDMN Cc1ccc([C@H](C)N[C@H]2CCN(CCCc3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000536910572 894090214 /nfs/dbraw/zinc/09/02/14/894090214.db2.gz PIXYSRPVCHAQIG-PXNSSMCTSA-N 0 1 381.476 3.788 20 5 GHBDMN C[C@@H]1CN(Cc2ccccc2)CCN1c1ncnc2c(Cl)cc([N+](=O)[O-])cc21 ZINC001185402987 913840843 /nfs/dbraw/zinc/84/08/43/913840843.db2.gz FQDRVDDEOGUTDM-CQSZACIVSA-N 0 1 397.866 3.902 20 5 GHBDMN COC[C@H]1CCCC[N@@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC000878440958 894292609 /nfs/dbraw/zinc/29/26/09/894292609.db2.gz NRHWGYXPDBNEOU-LBPRGKRZSA-N 0 1 380.832 3.547 20 5 GHBDMN COC[C@H]1CCCCN(Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC000878440958 894292625 /nfs/dbraw/zinc/29/26/25/894292625.db2.gz NRHWGYXPDBNEOU-LBPRGKRZSA-N 0 1 380.832 3.547 20 5 GHBDMN CC(C)N1C[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1=O ZINC000537317968 894766645 /nfs/dbraw/zinc/76/66/45/894766645.db2.gz NZXQIKQSYKTLQA-GFCCVEGCSA-N 0 1 377.828 3.607 20 5 GHBDMN CCCCn1cc(CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c(C)n1 ZINC000537352631 894821448 /nfs/dbraw/zinc/82/14/48/894821448.db2.gz QCPYYAXXNQJGNM-UHFFFAOYSA-N 0 1 382.468 3.590 20 5 GHBDMN CCc1nc(COC(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)n[nH]1 ZINC000760300998 895096131 /nfs/dbraw/zinc/09/61/31/895096131.db2.gz AZWYHOPCCWCQRL-UHFFFAOYSA-N 0 1 378.454 3.771 20 5 GHBDMN O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1N1CCN(C2CCCC2)CC1 ZINC000564774349 895238323 /nfs/dbraw/zinc/23/83/23/895238323.db2.gz NGVYYCOGKMXFKT-UHFFFAOYSA-N 0 1 394.344 3.709 20 5 GHBDMN O=[N+]([O-])c1ccccc1-c1nnc(C[N@H+]2CC[C@]3(CCc4ccccc43)C2)o1 ZINC000879996634 895437442 /nfs/dbraw/zinc/43/74/42/895437442.db2.gz KINYGSGLUBOWND-OAQYLSRUSA-N 0 1 376.416 3.735 20 5 GHBDMN O=[N+]([O-])c1ccccc1-c1nnc(CN2CC[C@]3(CCc4ccccc43)C2)o1 ZINC000879996634 895437448 /nfs/dbraw/zinc/43/74/48/895437448.db2.gz KINYGSGLUBOWND-OAQYLSRUSA-N 0 1 376.416 3.735 20 5 GHBDMN Cc1cc(N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000567504874 897209095 /nfs/dbraw/zinc/20/90/95/897209095.db2.gz CZQDLQIIZCXUSN-QFIPXVFZSA-N 0 1 395.459 3.704 20 5 GHBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@@H](c2ccncc2)C1 ZINC000289338533 914147361 /nfs/dbraw/zinc/14/73/61/914147361.db2.gz LOMPUCIHCPKZTG-WMLDXEAASA-N 0 1 379.420 3.980 20 5 GHBDMN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1ccc(N2CCNC2=O)cc1 ZINC000883287742 897448993 /nfs/dbraw/zinc/44/89/93/897448993.db2.gz CQITUDPUKPIOKK-CYBMUJFWSA-N 0 1 386.477 3.697 20 5 GHBDMN CCC[N@@H+](C)[C@@H](CNc1nccc(C(=O)[O-])c1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000568752053 898082177 /nfs/dbraw/zinc/08/21/77/898082177.db2.gz LQCKWSQVBIKXPB-HNNXBMFYSA-N 0 1 392.843 3.836 20 5 GHBDMN CCC[N@@H+](C)[C@@H](CNC(=O)c1cccc([O-])c1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000569338504 898557377 /nfs/dbraw/zinc/55/73/77/898557377.db2.gz BWTLKZWJCNALBS-INIZCTEOSA-N 0 1 391.855 3.767 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2ccc(CN3CC[C@H](C(F)(F)F)[C@H](CO)C3)o2)cc1 ZINC000289771679 914339378 /nfs/dbraw/zinc/33/93/78/914339378.db2.gz RIAJGPCYESSCEM-BBRMVZONSA-N 0 1 384.354 3.848 20 5 GHBDMN CC(C)c1nc([C@H]2CCCCN2C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)n[nH]1 ZINC000332057633 899373792 /nfs/dbraw/zinc/37/37/92/899373792.db2.gz OPSCRKFSIHBIDQ-MLGOLLRUSA-N 0 1 389.431 3.833 20 5 GHBDMN COc1cc(CN[C@@H]2CCN(C)[C@H]2c2ccc(F)c(F)c2)c([N+](=O)[O-])cc1F ZINC000570640941 899461818 /nfs/dbraw/zinc/46/18/18/899461818.db2.gz FETITRQVQHOZOO-APWZRJJASA-N 0 1 395.381 3.556 20 5 GHBDMN COc1ccc(C[C@H]2CCCN([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000570984052 899701639 /nfs/dbraw/zinc/70/16/39/899701639.db2.gz BDZXKHNHMKSRRI-SJLPKXTDSA-N 0 1 397.475 3.885 20 5 GHBDMN O=[N+]([O-])c1cc(CN2CCCC[C@@H]2[C@H]2CCC[C@H]2O)ccc1Br ZINC000824697062 899746994 /nfs/dbraw/zinc/74/69/94/899746994.db2.gz YJAWUYNJZYGFMK-FRFSOERESA-N 0 1 383.286 3.873 20 5 GHBDMN COc1cc(CN2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000778942457 902024742 /nfs/dbraw/zinc/02/47/42/902024742.db2.gz DVBGQJHEEBEJTA-MRXNPFEDSA-N 0 1 393.484 3.682 20 5 GHBDMN O=[N+]([O-])c1ccc(C(F)(F)F)cc1N1CCC(CCN2CCOCC2)CC1 ZINC001186462734 914590861 /nfs/dbraw/zinc/59/08/61/914590861.db2.gz SZNFDGPFVZXGMK-UHFFFAOYSA-N 0 1 387.402 3.552 20 5 GHBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H](c3ccc(F)c(F)c3)C2)c1 ZINC000600673122 902810294 /nfs/dbraw/zinc/81/02/94/902810294.db2.gz COUHUHUTWMSQGF-CQSZACIVSA-N 0 1 376.359 3.951 20 5 GHBDMN O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000132180885 903218532 /nfs/dbraw/zinc/21/85/32/903218532.db2.gz XNWQDEJDGJSCNE-UHFFFAOYSA-N 0 1 391.830 3.782 20 5 GHBDMN Cc1cc(N2CCc3nnn(C4CC(C)C4)c3C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000601233213 903491238 /nfs/dbraw/zinc/49/12/38/903491238.db2.gz ZNKDGCJNAOLQFC-UHFFFAOYSA-N 0 1 378.436 3.577 20 5 GHBDMN COc1ccccc1[C@H](C)N(OC)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC001146563296 903564041 /nfs/dbraw/zinc/56/40/41/903564041.db2.gz HWMPSMDNDRMRBK-ZDUSSCGKSA-N 0 1 396.403 3.758 20 5 GHBDMN CC(C)OCc1ncn2c1CN([C@@H]1CCc3ccc([N+](=O)[O-])cc3CC1)CCC2 ZINC001172911091 906019035 /nfs/dbraw/zinc/01/90/35/906019035.db2.gz RILOVTXUNPVITI-LJQANCHMSA-N 0 1 398.507 3.870 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CCN(C)[C@@H](c3ccccc3)C2)c1F ZINC001173190962 906273991 /nfs/dbraw/zinc/27/39/91/906273991.db2.gz YMPIEJNZYWPTSJ-HNAYVOBHSA-N 0 1 387.455 3.662 20 5 GHBDMN Cc1ccc(CN2CC[C@H](NC(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC001174832238 907228834 /nfs/dbraw/zinc/22/88/34/907228834.db2.gz KTQQVMSEIMXLAD-WMZOPIPTSA-N 0 1 399.516 3.775 20 5 GHBDMN CCCN(C(=O)c1ccccc1NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C(C)C ZINC000773436870 907324295 /nfs/dbraw/zinc/32/42/95/907324295.db2.gz SFYNQADPBBCSOI-UHFFFAOYSA-N 0 1 385.420 3.813 20 5 GHBDMN C[C@H]1CN(Cc2ccccc2)C[C@@]2(CCN(Cc3c(F)cccc3[N+](=O)[O-])C2)O1 ZINC001175678435 907688988 /nfs/dbraw/zinc/68/89/88/907688988.db2.gz QIUYPWBQWVDDCR-JTSKRJEESA-N 0 1 399.466 3.599 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@H](C)c1ccc(F)cc1C ZINC001175992282 907855696 /nfs/dbraw/zinc/85/56/96/907855696.db2.gz OBFMQDPNIZZRON-CHWSQXEVSA-N 0 1 375.400 3.729 20 5 GHBDMN O=C(Nc1cccc(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)c1)[C@H]1CCCO1 ZINC000192731471 908818836 /nfs/dbraw/zinc/81/88/36/908818836.db2.gz HYHPPVWTDVWYOW-LEWJYISDSA-N 0 1 395.459 3.880 20 5 GHBDMN COc1ccccc1[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])c(C)c1)N1CCCC1 ZINC000195660988 909029629 /nfs/dbraw/zinc/02/96/29/909029629.db2.gz ZBNMFAFBRXGWNA-IBGZPJMESA-N 0 1 398.463 3.870 20 5 GHBDMN Cc1c(CN[C@@H]2CCCN([C@@H](C)c3ccc(F)cc3)C2=O)cccc1[N+](=O)[O-] ZINC001178791368 909229691 /nfs/dbraw/zinc/22/96/91/909229691.db2.gz ZBLXUFWIJPKINS-HNAYVOBHSA-N 0 1 385.439 3.884 20 5 GHBDMN Cc1c(CN[C@H]2CCCN([C@@H](C)c3ccc(F)cc3)C2=O)cccc1[N+](=O)[O-] ZINC001178791369 909230645 /nfs/dbraw/zinc/23/06/45/909230645.db2.gz ZBLXUFWIJPKINS-KXBFYZLASA-N 0 1 385.439 3.884 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(CNCC[C@@H]2CCCS2(=O)=O)o1 ZINC001179464046 909540870 /nfs/dbraw/zinc/54/08/70/909540870.db2.gz OJIAPFCDSYTTST-AWEZNQCLSA-N 0 1 398.868 3.565 20 5 GHBDMN CC(C)c1cc(Br)ccc1-c1noc(-c2[nH]cnc2[N+](=O)[O-])n1 ZINC001212893246 911373530 /nfs/dbraw/zinc/37/35/30/911373530.db2.gz TVAMXPAXCFLOSQ-UHFFFAOYSA-N 0 1 378.186 3.921 20 5 GHBDMN COc1c(O)ccc(CN2CCC(c3ccc4cccnc4n3)CC2)c1[N+](=O)[O-] ZINC001182634058 911911057 /nfs/dbraw/zinc/91/10/57/911911057.db2.gz JPOWVCROWKHNSR-UHFFFAOYSA-N 0 1 394.431 3.632 20 5 GHBDMN COCCOCc1ccc(CNCc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 ZINC000291045191 914936441 /nfs/dbraw/zinc/93/64/41/914936441.db2.gz LUWUZLMGGVEXAH-UHFFFAOYSA-N 0 1 396.390 3.649 20 5 GHBDMN CC[C@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1OC ZINC000775088496 915061720 /nfs/dbraw/zinc/06/17/20/915061720.db2.gz QLOBRFPVYRGEHR-AWEZNQCLSA-N 0 1 377.828 3.936 20 5 GHBDMN COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccc(Nc3ccncc3)cc2)c1 ZINC001187183094 915073989 /nfs/dbraw/zinc/07/39/89/915073989.db2.gz VBIQCDLMRUWILB-UHFFFAOYSA-N 0 1 378.388 3.554 20 5 GHBDMN CC[C@H](C)c1nc([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)n[nH]1 ZINC000294992543 917085350 /nfs/dbraw/zinc/08/53/50/917085350.db2.gz UFRUSGZEHHSCTH-IUCAKERBSA-N 0 1 385.346 3.736 20 5 GHBDMN O=C(Nc1cc2cccnc2c2ncccc12)c1cnc(-c2ccccn2)[nH]c1=O ZINC001190633761 917464421 /nfs/dbraw/zinc/46/44/21/917464421.db2.gz WHLPFNZYSZJHQP-UHFFFAOYSA-N 0 1 394.394 3.593 20 5 GHBDMN O=C1[C@@H](N2CCC[C@@H](Cc3ccccc3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC001190855110 917604952 /nfs/dbraw/zinc/60/49/52/917604952.db2.gz NUMUDQCKXAMXTR-RXVVDRJESA-N 0 1 379.460 3.655 20 5 GHBDMN CCn1ccnc1[C@H]1CCCCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000297100137 919055139 /nfs/dbraw/zinc/05/51/39/919055139.db2.gz OLYQIWJLLAYBDM-GOSISDBHSA-N 0 1 394.435 3.569 20 5 GHBDMN CCN(C[C@H]1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])C1)CC(F)(F)F ZINC000119281037 919617345 /nfs/dbraw/zinc/61/73/45/919617345.db2.gz WSRBXLKYMILIEU-GFCCVEGCSA-N 0 1 379.810 3.954 20 5 GHBDMN O=[N+]([O-])c1ccc(CN2CCN(Cc3cccc4cccnc43)CC2)cc1F ZINC000801510125 921085859 /nfs/dbraw/zinc/08/58/59/921085859.db2.gz FPHJAVUAZYISBX-UHFFFAOYSA-N 0 1 380.423 3.600 20 5 GHBDMN COc1cc([C@@H](C)N[C@@H](Cc2nccn2C)c2ccccc2)cc([N+](=O)[O-])c1 ZINC000903103556 922775711 /nfs/dbraw/zinc/77/57/11/922775711.db2.gz JVGCXIFIWLOWFD-QRWLVFNGSA-N 0 1 380.448 3.972 20 5 GHBDMN C[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000410224117 925431227 /nfs/dbraw/zinc/43/12/27/925431227.db2.gz KEWOSOMPXJPYAF-GHMZBOCLSA-N 0 1 393.346 3.594 20 5 GHBDMN CC(C)c1nc2c([nH]1)CC[C@H](C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)C2 ZINC000372453024 925441010 /nfs/dbraw/zinc/44/10/10/925441010.db2.gz FYAGUAPNPHATNI-INIZCTEOSA-N 0 1 384.480 3.685 20 5 GHBDMN CCN(CC)C(=O)CNCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000725847877 926466344 /nfs/dbraw/zinc/46/63/44/926466344.db2.gz GRPCJMLIZAZNHE-UHFFFAOYSA-N 0 1 391.855 3.999 20 5 GHBDMN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000726601920 926755733 /nfs/dbraw/zinc/75/57/33/926755733.db2.gz UAPAFPDPQXRPDN-CRAIPNDOSA-N 0 1 393.484 3.741 20 5 GHBDMN CC[C@H](CNC(=O)c1cccc(Cl)c1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000749909084 927344017 /nfs/dbraw/zinc/34/40/17/927344017.db2.gz VLZDSPVTOKEMBA-MRXNPFEDSA-N 0 1 387.867 3.815 20 5 GHBDMN COc1ccc(C[C@@H]2CCCN(Cn3nc(C)c4cc([N+](=O)[O-])cnc43)C2)cc1 ZINC000749954219 927368978 /nfs/dbraw/zinc/36/89/78/927368978.db2.gz MEBKRJQVMYOJQK-KRWDZBQOSA-N 0 1 395.463 3.569 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2noc(CN3CCCC[C@H]3[C@H](O)c3ccccc3)n2)c1 ZINC000750608415 927746862 /nfs/dbraw/zinc/74/68/62/927746862.db2.gz GMYJDCNABVPLSH-AZUAARDMSA-N 0 1 394.431 3.733 20 5 GHBDMN CN(C(=O)CSc1nc(C=Cc2ccccc2)n[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000012837774 927948261 /nfs/dbraw/zinc/94/82/61/927948261.db2.gz KVTGRBDABKWZBI-KPKJPENVSA-N 0 1 395.444 3.638 20 5 GHBDMN O=C(CN1CCCCC[C@@H]1C[C@@H](O)c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000751558984 928248633 /nfs/dbraw/zinc/24/86/33/928248633.db2.gz LPXWOLMGMVLELB-WIYYLYMNSA-N 0 1 397.475 3.902 20 5 GHBDMN C[C@H]1[C@@H](c2ccccc2)CCN1CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000752793585 929024443 /nfs/dbraw/zinc/02/44/43/929024443.db2.gz OZABFDQGFDZWPH-WMZOPIPTSA-N 0 1 380.448 3.672 20 5 GHBDMN CCN(Cc1ccccc1Br)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000467809207 929448609 /nfs/dbraw/zinc/44/86/09/929448609.db2.gz WGKUSNVYBHUGOC-UHFFFAOYSA-N 0 1 395.257 3.866 20 5 GHBDMN Cc1nc([C@@H](C)Nc2ccc(C(=O)Nc3ccc(C)cc3)cc2[N+](=O)[O-])n[nH]1 ZINC000557762554 931666401 /nfs/dbraw/zinc/66/64/01/931666401.db2.gz KZYOPLAAKLRFCA-GFCCVEGCSA-N 0 1 380.408 3.755 20 5 GHBDMN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(Cc3ccc([N+](=O)[O-])cc3F)C[C@H]21 ZINC000784504586 931916469 /nfs/dbraw/zinc/91/64/69/931916469.db2.gz AHDVIHWJKFWXTR-FDQGKXFDSA-N 0 1 393.459 3.859 20 5 GHBDMN NC(=O)c1ccc(CN2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)c([N+](=O)[O-])c1 ZINC000558399451 931979768 /nfs/dbraw/zinc/97/97/68/931979768.db2.gz NLNFCGQKXGURFP-MRXNPFEDSA-N 0 1 399.838 3.561 20 5 GHBDMN O=[N+]([O-])c1c(F)cccc1S(=O)(=O)Nc1cc(Cl)c(Cl)cc1F ZINC000799126646 932884322 /nfs/dbraw/zinc/88/43/22/932884322.db2.gz HPZRHHUQFRPJRK-UHFFFAOYSA-N 0 1 383.159 3.981 20 5 GHBDMN Cn1ccnc1[C@H](NCC1(C)Cc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000560545958 933332472 /nfs/dbraw/zinc/33/24/72/933332472.db2.gz OOYWDNQSSQURGU-HXUWFJFHSA-N 0 1 376.460 3.812 20 5 GHBDMN Cc1cccc(CN2CCCC[C@@H]2C(=O)N2CCc3c2cccc3[N+](=O)[O-])c1 ZINC001116105507 933337093 /nfs/dbraw/zinc/33/70/93/933337093.db2.gz XVQJDYOKBSTFOM-OAQYLSRUSA-N 0 1 379.460 3.847 20 5 GHBDMN CN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C[C@]1(O)CCc2ccccc21 ZINC000829365194 935801856 /nfs/dbraw/zinc/80/18/56/935801856.db2.gz CNZWHJOTNYCLKN-OAQYLSRUSA-N 0 1 379.416 3.516 20 5 GHBDMN O=c1[nH]cnc(O[C@@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)c1Br ZINC001226721636 1032092285 /nfs/dbraw/zinc/09/22/85/1032092285.db2.gz KYSUHNGQRIJEGK-VIFPVBQESA-N 0 1 394.103 3.535 20 5 GHBDMN O=[N+]([O-])c1cc(F)c(OC[C@H]2CN(Cc3ccccc3)CCCO2)c(F)c1 ZINC001226747409 1032110333 /nfs/dbraw/zinc/11/03/33/1032110333.db2.gz BKMDGMFIAWFPBJ-MRXNPFEDSA-N 0 1 378.375 3.543 20 5 GHBDMN C[C@](NCc1cccc(C[NH+]2CCCCC2)c1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593303717 994738062 /nfs/dbraw/zinc/73/80/62/994738062.db2.gz DVEJNCMXHAERAP-JOCHJYFZSA-N 0 1 397.475 3.670 20 5 GHBDMN CCc1c(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)[nH]nc1-c1ccncc1 ZINC000545493636 1015943882 /nfs/dbraw/zinc/94/38/82/1015943882.db2.gz JNZFLSCRBGQVMK-UHFFFAOYSA-N 0 1 376.376 3.676 20 5 GHBDMN COC[C@@H]([NH2+]Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001599176491 996854537 /nfs/dbraw/zinc/85/45/37/996854537.db2.gz CMPRQFSDCPNBPM-OAHLLOKOSA-N 0 1 398.337 3.789 20 5 GHBDMN CCOc1ccc(C(=O)Nc2cccc3c2OCC[C@@H]3N(C)C)cc1[N+](=O)[O-] ZINC000468924004 1016224910 /nfs/dbraw/zinc/22/49/10/1016224910.db2.gz JMCIMESYIKZQGW-INIZCTEOSA-N 0 1 385.420 3.631 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2cc(-c3nc(-c4ccc5nccnc5c4)no3)[nH]n2)c1 ZINC001212995168 1032277792 /nfs/dbraw/zinc/27/77/92/1032277792.db2.gz MERHMYCLOQHXJR-UHFFFAOYSA-N 0 1 385.343 3.645 20 5 GHBDMN COc1cc(Cl)cnc1-c1noc(-c2cc(-c3cccc([N+](=O)[O-])c3)n[nH]2)n1 ZINC001212995325 1032287932 /nfs/dbraw/zinc/28/79/32/1032287932.db2.gz UGBDCNLVHWECGK-UHFFFAOYSA-N 0 1 398.766 3.759 20 5 GHBDMN CCc1ccc([C@H](c2ccc([N+](=O)[O-])cc2)N2CCc3sc(CN)nc3C2)o1 ZINC000925748066 1017146668 /nfs/dbraw/zinc/14/66/68/1017146668.db2.gz LSKUJZLEVASDAW-FQEVSTJZSA-N 0 1 398.488 3.813 20 5 GHBDMN CCSc1cccc(F)c1NS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000570372635 1019594766 /nfs/dbraw/zinc/59/47/66/1019594766.db2.gz WOZBVQUSLBUIBM-UHFFFAOYSA-N 0 1 386.426 3.655 20 5 GHBDMN COc1cccc(C2CCN(Cn3cnc(-c4ccc([N+](=O)[O-])cc4)n3)CC2)c1 ZINC000194842074 1020967646 /nfs/dbraw/zinc/96/76/46/1020967646.db2.gz XLGPWRAXMGMCET-UHFFFAOYSA-N 0 1 393.447 3.699 20 5 GHBDMN C[C@@H]1C[C@H](C)[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])[C@@H](C)[C@H]1C(=O)[O-] ZINC000903952073 1021663142 /nfs/dbraw/zinc/66/31/42/1021663142.db2.gz JTMYXCBHQAXAHH-LMCGPQHNSA-N 0 1 385.258 3.677 20 5 GHBDMN O=[N+]([O-])c1ccc2ccnc(OC[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)c2c1 ZINC001229007150 1033228209 /nfs/dbraw/zinc/22/82/09/1033228209.db2.gz GDQPVKDPLMDLED-HXUWFJFHSA-N 0 1 393.443 3.813 20 5 GHBDMN C[C@]12CCN(C(=O)c3cc(-c4ccc([N+](=O)[O-])cc4)[nH]n3)C[C@H]1C2(Cl)Cl ZINC000831993931 1025097672 /nfs/dbraw/zinc/09/76/72/1025097672.db2.gz YFGWFTRFPMGEBO-ZBFHGGJFSA-N 0 1 395.246 3.641 20 5 GHBDMN O=C(N[C@H]1CCCN(Cc2ccccc2)C1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001141557401 1025532538 /nfs/dbraw/zinc/53/25/38/1025532538.db2.gz FWDGNIOMEPRTJZ-HNNXBMFYSA-N 0 1 391.830 3.782 20 5 GHBDMN CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC001141558865 1025535383 /nfs/dbraw/zinc/53/53/83/1025535383.db2.gz XTDKDEGZCGHUGP-INIZCTEOSA-N 0 1 385.489 3.711 20 5 GHBDMN CC[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)N1CCc2ccccc2C1 ZINC001141569429 1025598604 /nfs/dbraw/zinc/59/86/04/1025598604.db2.gz HYSAGXBKODPPPS-KRWDZBQOSA-N 0 1 387.867 3.815 20 5 GHBDMN CC(C)Oc1nc(N2CCC(c3ncc(C(F)(F)F)[nH]3)CC2)ccc1[N+](=O)[O-] ZINC001164212394 1026454787 /nfs/dbraw/zinc/45/47/87/1026454787.db2.gz OOGSYDJJJWDQIK-UHFFFAOYSA-N 0 1 399.373 3.903 20 5 GHBDMN O=[N+]([O-])c1cnc(Cl)nc1N1CC(c2ncn3cc(-c4ccoc4)ccc23)C1 ZINC001166495914 1027015087 /nfs/dbraw/zinc/01/50/87/1027015087.db2.gz XELQAETZNDXRMS-UHFFFAOYSA-N 0 1 396.794 3.550 20 5 GHBDMN C[C@H](c1ccccc1)[C@H](O)CNCc1c(Br)cccc1[N+](=O)[O-] ZINC001203234852 1027242091 /nfs/dbraw/zinc/24/20/91/1027242091.db2.gz LBORQIVJSSGXMX-SJKOYZFVSA-N 0 1 379.254 3.612 20 5 GHBDMN COc1cccc([C@H]2C[C@H](N(C)Cn3cnc(-c4cccc([N+](=O)[O-])c4)n3)C2)c1 ZINC000840147771 1027279627 /nfs/dbraw/zinc/27/96/27/1027279627.db2.gz JARXRCGQZQVKKV-UAPYVXQJSA-N 0 1 393.447 3.697 20 5 GHBDMN CCOC(=O)C1CCN(c2ccccc2Nc2ccc(O)c([N+](=O)[O-])c2)CC1 ZINC001210399809 1027490206 /nfs/dbraw/zinc/49/02/06/1027490206.db2.gz VPFXRNCSLISDLL-UHFFFAOYSA-N 0 1 385.420 3.824 20 5 GHBDMN CCS[C@@H]1CCC[C@H]1NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC001210632063 1027582549 /nfs/dbraw/zinc/58/25/49/1027582549.db2.gz ONHCNGIUEZFDEC-ZYHUDNBSSA-N 0 1 399.321 3.854 20 5 GHBDMN CCC(O)(CC)C(C)(C)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC001213478389 1028212545 /nfs/dbraw/zinc/21/25/45/1028212545.db2.gz CNFNVCHJJULFLG-UHFFFAOYSA-N 0 1 399.296 3.510 20 5 GHBDMN COc1cc(Br)c(CNCCc2ccccc2[N+](=O)[O-])c(OC)c1 ZINC001461464490 1069561512 /nfs/dbraw/zinc/56/15/12/1069561512.db2.gz WEPITABRTBNEAX-UHFFFAOYSA-N 0 1 395.253 3.707 20 5 GHBDMN O=c1[nH]cnc(Nc2c(Cl)ccc([N+](=O)[O-])c2Cl)c1Br ZINC001215582739 1029293367 /nfs/dbraw/zinc/29/33/67/1029293367.db2.gz ZPUSNNJATXUPFV-UHFFFAOYSA-N 0 1 379.985 3.903 20 5 GHBDMN COc1cc(Cl)c(-c2noc(-c3ccc(O)cc3[N+](=O)[O-])n2)cc1OC ZINC001216893735 1029983825 /nfs/dbraw/zinc/98/38/25/1029983825.db2.gz IIHODTKKVQJDKG-UHFFFAOYSA-N 0 1 377.740 3.688 20 5 GHBDMN COc1ccc(Br)c(-c2noc(-c3cc(O)cc([N+](=O)[O-])c3)n2)c1 ZINC001216924253 1030003712 /nfs/dbraw/zinc/00/37/12/1030003712.db2.gz AKANZTAQWHQEAK-UHFFFAOYSA-N 0 1 392.165 3.789 20 5 GHBDMN COC(=O)c1cccc(CO[C@@H]2CCCN([C@@H](C)c3ccccn3)C2)c1[N+](=O)[O-] ZINC001223663012 1030693001 /nfs/dbraw/zinc/69/30/01/1030693001.db2.gz QKTYJKJHGCVCSQ-DOTOQJQBSA-N 0 1 399.447 3.519 20 5 GHBDMN CCOc1ccc2c(c1)c(=N)c1ccc(N)cc1n2C(=O)c1ccc2cncn2c1 ZINC001152203195 1031145111 /nfs/dbraw/zinc/14/51/11/1031145111.db2.gz HAMQSJPEGSSNRT-UHFFFAOYSA-N 0 1 397.438 3.591 20 5 GHBDMN O=C(NCCc1nnc(-c2ccccc2)[nH]1)c1cccc2nc3ccccc3nc21 ZINC001153870543 1031784157 /nfs/dbraw/zinc/78/41/57/1031784157.db2.gz HGJGMVYVQHMZTJ-UHFFFAOYSA-N 0 1 394.438 3.541 20 5 GHBDMN C[C@H]1CCN(Cc2ccccc2)C[C@@H]1Oc1n[nH]c(=O)c2cccc([N+](=O)[O-])c21 ZINC001229374854 1033444772 /nfs/dbraw/zinc/44/47/72/1033444772.db2.gz SZTCGJWMKQPDAA-KSSFIOAISA-N 0 1 394.431 3.533 20 5 GHBDMN CN(C)c1ccc(-c2noc(-c3cc(-c4ccc([N+](=O)[O-])cc4)n[nH]3)n2)cc1 ZINC001213008466 1033579852 /nfs/dbraw/zinc/57/98/52/1033579852.db2.gz MRFSPTSKQYIIKS-UHFFFAOYSA-N 0 1 376.376 3.768 20 5 GHBDMN CCCSc1nc(O[C@@H]2CCc3c2nccc3Cl)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229790702 1033715986 /nfs/dbraw/zinc/71/59/86/1033715986.db2.gz CBBWPHLMRHHYAZ-SNVBAGLBSA-N 0 1 382.829 3.707 20 5 GHBDMN Cc1cnc(CN)n1-c1nc(-c2ccc(C)c([N+](=O)[O-])c2)nc2sccc21 ZINC001158167308 1033949041 /nfs/dbraw/zinc/94/90/41/1033949041.db2.gz SSIHJTOBMGDENC-UHFFFAOYSA-N 0 1 380.433 3.528 20 5 GHBDMN Cc1cc(O)c([N+](=O)[O-])c(O[C@H]2CCC[C@@]23CCN(C(=O)OC(C)(C)C)C3)n1 ZINC001231258794 1034489527 /nfs/dbraw/zinc/48/95/27/1034489527.db2.gz CNFUUPZXOUGCBR-LIRRHRJNSA-N 0 1 393.440 3.562 20 5 GHBDMN CCc1ccccc1C(=O)N(C)c1cc([N+](=O)[O-])cc(N2CCN(CC)CC2)c1 ZINC001462098333 1069992791 /nfs/dbraw/zinc/99/27/91/1069992791.db2.gz ZQIVCOYTKBQIFO-UHFFFAOYSA-N 0 1 396.491 3.576 20 5 GHBDMN CC(C)(C)OC(=O)NC[C@H](NCc1nc2cc([N+](=O)[O-])ccc2o1)C(C)(C)C ZINC001462150344 1070036987 /nfs/dbraw/zinc/03/69/87/1070036987.db2.gz UKDDDLNRPBVZMC-HNNXBMFYSA-N 0 1 392.456 3.765 20 5 GHBDMN COc1cc(CC[N+](=O)[O-])ccc1O[C@H]1CCN(Cc2ccc(Cl)cc2)C1 ZINC001233984172 1039742856 /nfs/dbraw/zinc/74/28/56/1039742856.db2.gz FCKHZLUWSYVOPA-SFHVURJKSA-N 0 1 390.867 3.821 20 5 GHBDMN COc1cc(CC[N+](=O)[O-])ccc1O[C@H]1CCCN([C@H](C)c2ccccn2)C1 ZINC001233985491 1039744710 /nfs/dbraw/zinc/74/47/10/1039744710.db2.gz YVWBRFDHNQIWKD-AEFFLSMTSA-N 0 1 385.464 3.514 20 5 GHBDMN Cc1ccc2c(n1)N(CC1CC1)CCN([C@H](C)Cc1ccccc1[N+](=O)[O-])C2 ZINC001254562573 1040335729 /nfs/dbraw/zinc/33/57/29/1040335729.db2.gz NCLUXKMMHQIRRV-QGZVFWFLSA-N 0 1 380.492 3.961 20 5 GHBDMN COc1ccc(C2=NO[C@@H](CNCc3c(C)ccc([N+](=O)[O-])c3C)C2)cc1C ZINC001462547890 1070350213 /nfs/dbraw/zinc/35/02/13/1070350213.db2.gz MDAKSFYOOWOWOL-QGZVFWFLSA-N 0 1 383.448 3.811 20 5 GHBDMN CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@H](NCc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC001462635725 1070431208 /nfs/dbraw/zinc/43/12/08/1070431208.db2.gz FPSKSTWPZXYFKD-WQVCFCJDSA-N 0 1 381.860 3.878 20 5 GHBDMN CCc1c(NC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)[nH]nc1-c1ccncc1 ZINC001292820944 1043896078 /nfs/dbraw/zinc/89/60/78/1043896078.db2.gz XOQJQEREFIRBPU-SJORKVTESA-N 0 1 377.404 3.685 20 5 GHBDMN Cc1cncc([N+](=O)[O-])c1NC[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC001258125806 1044413336 /nfs/dbraw/zinc/41/33/36/1044413336.db2.gz ZRGWWVTYEPRRRF-ACJLOTCBSA-N 0 1 378.835 3.618 20 5 GHBDMN CC(=O)c1ccc(O)c(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)c1 ZINC001295812380 1045152273 /nfs/dbraw/zinc/15/22/73/1045152273.db2.gz UCTWJEGKPKBHDL-UHFFFAOYSA-N 0 1 397.156 3.657 20 5 GHBDMN CN(C)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1N)c1ccc(Cl)c(Cl)c1 ZINC001302172893 1046854734 /nfs/dbraw/zinc/85/47/34/1046854734.db2.gz SOQSPJMQDZWYMF-MRXNPFEDSA-N 0 1 397.262 3.517 20 5 GHBDMN CC[C@@H](c1ccccc1)N1CCN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC001265498134 1047619468 /nfs/dbraw/zinc/61/94/68/1047619468.db2.gz QSUDTSJMXQKUKL-FQEVSTJZSA-N 0 1 399.466 3.962 20 5 GHBDMN CC(C)Oc1cc(Cl)ccc1CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001288416594 1049082465 /nfs/dbraw/zinc/08/24/65/1049082465.db2.gz BVVRAHYJHWNRBJ-UHFFFAOYSA-N 0 1 388.811 3.842 20 5 GHBDMN CC[C@H](c1ccccc1)N1CCN(Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC001307499251 1049339011 /nfs/dbraw/zinc/33/90/11/1049339011.db2.gz LGODVHFCELNZIM-HXUWFJFHSA-N 0 1 397.475 3.650 20 5 GHBDMN CC(C)(C)OC(=O)N1CC[C@H]([C@H]2CCCCN2Cc2cccnc2[N+](=O)[O-])C1 ZINC001307803332 1049601454 /nfs/dbraw/zinc/60/14/54/1049601454.db2.gz ITXDEWXBTCHLFJ-DOTOQJQBSA-N 0 1 390.484 3.601 20 5 GHBDMN COc1ccc(Cl)c2c1CCC[C@H]2N(C)CCn1c(C)ncc1[N+](=O)[O-] ZINC001307895071 1049673578 /nfs/dbraw/zinc/67/35/78/1049673578.db2.gz VTUDGFUKJNOSGX-OAHLLOKOSA-N 0 1 378.860 3.771 20 5 GHBDMN CC(C)(C)OC(=O)N1CC[C@]2(C1)CCCCN(Cc1cccnc1[N+](=O)[O-])C2 ZINC001308075733 1049822270 /nfs/dbraw/zinc/82/22/70/1049822270.db2.gz PHCNVHBVDHXWTB-HXUWFJFHSA-N 0 1 390.484 3.603 20 5 GHBDMN O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@@H]2CSc3ccccc3O2)c1 ZINC001308446972 1049978336 /nfs/dbraw/zinc/97/83/36/1049978336.db2.gz GHIZEABDMKVPDN-CYBMUJFWSA-N 0 1 382.388 3.839 20 5 GHBDMN CCc1noc([C@@H]2CC[C@@H](NCc3c(Br)cccc3[N+](=O)[O-])C2)n1 ZINC001308540365 1050003475 /nfs/dbraw/zinc/00/34/75/1050003475.db2.gz FVTFTLQWLRZOIM-GHMZBOCLSA-N 0 1 395.257 3.729 20 5 GHBDMN O=C(NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cccc([N+](=O)[O-])c1[O-] ZINC001327886663 1050315578 /nfs/dbraw/zinc/31/55/78/1050315578.db2.gz JNKSBBFVNQBOTI-AYHJJNSGSA-N 0 1 395.459 3.616 20 5 GHBDMN CCN(CCNc1ncnc2c(Cl)cc([N+](=O)[O-])cc12)CCC(F)(F)F ZINC001328024296 1050362225 /nfs/dbraw/zinc/36/22/25/1050362225.db2.gz OYSIOMYBWSZLHQ-UHFFFAOYSA-N 0 1 391.781 3.878 20 5 GHBDMN C[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccc2c(c1)CCCC2 ZINC001309385786 1050666123 /nfs/dbraw/zinc/66/61/23/1050666123.db2.gz WJSZCHGIWMPYDM-GFCCVEGCSA-N 0 1 378.425 3.652 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCCC[C@@H]1C=CCC1 ZINC001309817785 1050987865 /nfs/dbraw/zinc/98/78/65/1050987865.db2.gz QUQUVKZYPMVDLK-SNVBAGLBSA-N 0 1 379.265 3.926 20 5 GHBDMN CC[C@H](c1ccccc1)N1CCN(C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001311031580 1051787809 /nfs/dbraw/zinc/78/78/09/1051787809.db2.gz ACZBNMVEIFFFOM-LJQANCHMSA-N 0 1 398.463 3.904 20 5 GHBDMN CC[C@H](NC(=O)NC[C@@H]1CCN1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC001312432546 1052740572 /nfs/dbraw/zinc/74/05/72/1052740572.db2.gz BZMXRQSFNLQDOZ-PMACEKPBSA-N 0 1 382.464 3.620 20 5 GHBDMN CC(C)(C)OC(=O)N1CC[C@H](CCN2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001345025026 1054859445 /nfs/dbraw/zinc/85/94/45/1054859445.db2.gz VNKGLUYYPSDJMP-HNNXBMFYSA-N 0 1 375.469 3.600 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCCN(Cc2ccc(C)cc2)CC1 ZINC001320658997 1055919306 /nfs/dbraw/zinc/91/93/06/1055919306.db2.gz VIOJQJPLRVCKPH-UHFFFAOYSA-N 0 1 398.463 3.652 20 5 GHBDMN Cc1cc(Cl)c(C(=O)Nc2cccc(N3CCC[NH+]=C3[O-])c2)cc1[N+](=O)[O-] ZINC001354852581 1056964288 /nfs/dbraw/zinc/96/42/88/1056964288.db2.gz IAZXTXIDKDBENG-UHFFFAOYSA-N 0 1 388.811 3.729 20 5 GHBDMN Cc1cc(NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])ccc1N1CCN(C)CC1 ZINC001324429804 1057132469 /nfs/dbraw/zinc/13/24/69/1057132469.db2.gz IFLFDGPTHFHUNN-UHFFFAOYSA-N 0 1 396.491 3.571 20 5 GHBDMN Cc1cc(CN2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)n[nH]1 ZINC001324731588 1057214120 /nfs/dbraw/zinc/21/41/20/1057214120.db2.gz QPOWIUFFQDDIDL-UHFFFAOYSA-N 0 1 397.504 3.673 20 5 GHBDMN Cc1ccc(CN2CCC3(CN(C(=O)OC(C)(C)C)C3)CC2)cc1[N+](=O)[O-] ZINC000848918700 1057420565 /nfs/dbraw/zinc/42/05/65/1057420565.db2.gz ITRWVBJNGXVDOD-UHFFFAOYSA-N 0 1 375.469 3.736 20 5 GHBDMN Cc1ccnn1-c1ccccc1NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001447624807 1059989776 /nfs/dbraw/zinc/98/97/76/1059989776.db2.gz CBDJSJHNHUSIBI-UHFFFAOYSA-N 0 1 388.387 3.731 20 5 GHBDMN CC[C@H](C)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CC1 ZINC001449628833 1060435481 /nfs/dbraw/zinc/43/54/81/1060435481.db2.gz XMAQCSDVLNCOBH-INIZCTEOSA-N 0 1 383.448 3.943 20 5 GHBDMN Cc1ccc(CN2CC[C@@H](NC(=O)c3cc([N+](=O)[O-])c(C)cc3Cl)C2)cc1 ZINC001455008697 1061975224 /nfs/dbraw/zinc/97/52/24/1061975224.db2.gz GQBVJZFZHNACBV-MRXNPFEDSA-N 0 1 387.867 3.869 20 5 GHBDMN CC[C@H](c1ccccc1)N1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC001435308578 1062492992 /nfs/dbraw/zinc/49/29/92/1062492992.db2.gz CUBSVJBUOFRUMN-OAQYLSRUSA-N 0 1 381.476 3.823 20 5 GHBDMN CCN(CC)[C@@H](CNc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-])c1ccco1 ZINC001458140274 1063594922 /nfs/dbraw/zinc/59/49/22/1063594922.db2.gz WTYFLBQWQGVWDT-INIZCTEOSA-N 0 1 384.436 3.535 20 5 GHBDMN O=C(CCc1cc(F)ccc1[N+](=O)[O-])NC[C@@H](c1ccco1)N1CCCCC1 ZINC001349247909 1063612026 /nfs/dbraw/zinc/61/20/26/1063612026.db2.gz BZAAVXNZHMOEBI-SFHVURJKSA-N 0 1 389.427 3.603 20 5 GHBDMN Cc1ccc([C@@H](C)NCC(=O)Nc2ccc3c(c2)OC(F)(F)O3)cc1[N+](=O)[O-] ZINC001459824499 1064234015 /nfs/dbraw/zinc/23/40/15/1064234015.db2.gz LOVYQXJFPFBJFW-LLVKDONJSA-N 0 1 393.346 3.514 20 5 GHBDMN Cc1ccc2c(c1)N(C(=O)c1cc(-c3ccc([N+](=O)[O-])cc3)n[nH]1)C[C@@H](C)O2 ZINC001465689561 1065792535 /nfs/dbraw/zinc/79/25/35/1065792535.db2.gz JIONGIAJQAWZRJ-CYBMUJFWSA-N 0 1 378.388 3.721 20 5 GHBDMN O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001546162329 1067271497 /nfs/dbraw/zinc/27/14/97/1067271497.db2.gz FMPPBKIHHAXCHQ-AWEZNQCLSA-N 0 1 389.839 3.805 20 5 GHBDMN C[C@H](NC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC001469413321 1068151210 /nfs/dbraw/zinc/15/12/10/1068151210.db2.gz VRWBVCDUDDEUKI-BOFPYLFWSA-N 0 1 386.427 3.540 20 5 GHBDMN C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001470376425 1068708129 /nfs/dbraw/zinc/70/81/29/1068708129.db2.gz QNPSLVABMWJKHT-DLBZAZTESA-N 0 1 384.480 3.518 20 5 GHBDMN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CN[C@@H]([C@H]1CCCO1)C1(CO)CCC1 ZINC001460317754 1068923113 /nfs/dbraw/zinc/92/31/13/1068923113.db2.gz UPAJEJDFIVOAGB-ZBFHGGJFSA-N 0 1 389.279 3.701 20 5 GHBDMN CCO[C@@H]1CN([C@@H](C)c2ccccc2[N+](=O)[O-])C[C@H]1CNC(=O)OC(C)(C)C ZINC001460351618 1068936714 /nfs/dbraw/zinc/93/67/14/1068936714.db2.gz KJOXUDKLQZOXFX-HDMKZQKVSA-N 0 1 393.484 3.517 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](c1ncccc1C)C(C)(C)C ZINC001460912455 1069269783 /nfs/dbraw/zinc/26/97/83/1069269783.db2.gz YFMCDBZWPMKOOV-LJQANCHMSA-N 0 1 386.452 3.622 20 5 GHBDMN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCc2nc[nH]c2[C@H]1c1ccccc1 ZINC001471035234 1072895814 /nfs/dbraw/zinc/89/58/14/1072895814.db2.gz KKKDIBXGSHHVDV-HXUWFJFHSA-N 0 1 376.416 3.723 20 5 GHBDMN C[C@H](CCCc1ccccc1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC001472504212 1073519493 /nfs/dbraw/zinc/51/94/93/1073519493.db2.gz WONVOWBKACGIKM-CQSZACIVSA-N 0 1 379.420 3.977 20 5 GHBDMN C[C@@H]1CN(c2c3cc(F)ccc3ncc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC001472805659 1073674061 /nfs/dbraw/zinc/67/40/61/1073674061.db2.gz PASXGQZWHWJUTL-OAHLLOKOSA-N 0 1 380.423 3.993 20 5 GHBDMN C[C@H]1CN(c2c3cc(F)ccc3ncc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC001472805656 1073674261 /nfs/dbraw/zinc/67/42/61/1073674261.db2.gz PASXGQZWHWJUTL-HNNXBMFYSA-N 0 1 380.423 3.993 20 5 GHBDMN COc1ccc(NC(=O)CN2[C@H](C)C[C@@H](c3ccccc3)[C@@H]2C)c([N+](=O)[O-])c1 ZINC001473506988 1073993414 /nfs/dbraw/zinc/99/34/14/1073993414.db2.gz QWWICQYPDQLRGZ-RVKKMQEKSA-N 0 1 383.448 3.808 20 5 GHBDMN C[C@@]1(Cc2ccc(F)cc2)CCCN1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001473566405 1074019800 /nfs/dbraw/zinc/01/98/00/1074019800.db2.gz RFMVCUICKPPCBE-QFIPXVFZSA-N 0 1 397.450 3.720 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2ccc(CNCc3n[nH]c(C4CCOCC4)n3)s2)cc1 ZINC001474232378 1074301961 /nfs/dbraw/zinc/30/19/61/1074301961.db2.gz FESWZRIOLMTJSH-UHFFFAOYSA-N 0 1 399.476 3.625 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N[C@H]2CCCc3sccc32)c1 ZINC001475169714 1074767237 /nfs/dbraw/zinc/76/72/37/1074767237.db2.gz SOHQIIUHUVBSLQ-NSHDSACASA-N 0 1 390.845 3.805 20 5 GHBDMN CN(C)[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(F)cc1 ZINC000048053036 210843949 /nfs/dbraw/zinc/84/39/49/210843949.db2.gz FJZUCIFPYKEESA-INIZCTEOSA-N 0 1 380.807 3.812 20 5 GHBDMN Cc1[nH+]ccn1-c1ccccc1CNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000738895931 599841691 /nfs/dbraw/zinc/84/16/91/599841691.db2.gz ZPJTURGAZFNAQE-VQHVLOKHSA-N 0 1 378.388 3.799 20 5 GHBDMN CCCC[N@@H+](C)CC1CCN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000829381505 602251454 /nfs/dbraw/zinc/25/14/54/602251454.db2.gz VRUGIFRFKXVRJZ-UHFFFAOYSA-N 0 1 383.876 3.895 20 5 GHBDMN CCOc1cccc([C@H](C)N[C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c1 ZINC000180705157 837485612 /nfs/dbraw/zinc/48/56/12/837485612.db2.gz OBIPVIMMHYGXMR-KBPBESRZSA-N 0 1 387.436 3.680 20 5 GHBDMN CC(C)c1nnc(-c2ccccc2NC(=O)COc2cccc([N+](=O)[O-])c2)[nH]1 ZINC000363630702 834976463 /nfs/dbraw/zinc/97/64/63/834976463.db2.gz YJUIBANPFHUGDI-UHFFFAOYSA-N 0 1 381.392 3.521 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CC[C@@H](Cc2ccccc2)[C@H]1C ZINC000472333337 835047657 /nfs/dbraw/zinc/04/76/57/835047657.db2.gz BWJGSUKPZRKVDQ-RYRKJORJSA-N 0 1 397.475 3.884 20 5 GHBDMN CN(Cc1cccc(OC(F)(F)F)c1)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000126875948 835168160 /nfs/dbraw/zinc/16/81/60/835168160.db2.gz KTIBNVDFNJWDBY-UHFFFAOYSA-N 0 1 394.309 3.642 20 5 GHBDMN O=[N+]([O-])c1ccc(NC2CCN(Cc3cccnc3)CC2)cc1OC(F)F ZINC000278728231 835896393 /nfs/dbraw/zinc/89/63/93/835896393.db2.gz PTFVDJBHAIOSSB-UHFFFAOYSA-N 0 1 378.379 3.668 20 5 GHBDMN O=[N+]([O-])c1ccc(NS(=O)(=O)Cc2cccc(F)c2)cc1C(F)(F)F ZINC000179643613 835915707 /nfs/dbraw/zinc/91/57/07/835915707.db2.gz MCJAIRFHBAOTKK-UHFFFAOYSA-N 0 1 378.303 3.695 20 5 GHBDMN O=C(CNc1ccccc1[N+](=O)[O-])Nc1ccc2nc(-c3ccco3)[nH]c2c1 ZINC000065873956 836072467 /nfs/dbraw/zinc/07/24/67/836072467.db2.gz CHOZVBQNDMMWLI-UHFFFAOYSA-N 0 1 377.360 3.782 20 5 GHBDMN COc1cc(CN2CCC[C@H]2CSC)c([N+](=O)[O-])cc1OCC(F)F ZINC000180219460 836723297 /nfs/dbraw/zinc/72/32/97/836723297.db2.gz RTMZTRZKIMENLT-LBPRGKRZSA-N 0 1 376.425 3.575 20 5 GHBDMN CN(C)[C@@H](CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 ZINC000175308304 836760235 /nfs/dbraw/zinc/76/02/35/836760235.db2.gz IPZFVDFTECTFMD-SFHVURJKSA-N 0 1 388.443 3.571 20 5 GHBDMN O=C(CCN[C@H](c1ccccc1)c1ccccn1)Nc1cc([N+](=O)[O-])ccc1F ZINC000128970221 844201494 /nfs/dbraw/zinc/20/14/94/844201494.db2.gz LXLSNEJZQLLSKJ-OAQYLSRUSA-N 0 1 394.406 3.837 20 5 GHBDMN Cc1ccc([C@H](C)NCc2ccccc2OCC(=O)NCC2CC2)cc1[N+](=O)[O-] ZINC000180277515 836951940 /nfs/dbraw/zinc/95/19/40/836951940.db2.gz GNIFIXUKGIERNZ-INIZCTEOSA-N 0 1 397.475 3.659 20 5 GHBDMN Cc1ccc([C@@H](C)NCc2ccccc2OCC(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000180278729 836952593 /nfs/dbraw/zinc/95/25/93/836952593.db2.gz OMGOPWITEDVISO-QGZVFWFLSA-N 0 1 397.475 3.755 20 5 GHBDMN CCc1[nH]nc(C(=O)N2CCC(c3ccc(C(F)(F)F)cc3)CC2)c1[N+](=O)[O-] ZINC000180059307 836979491 /nfs/dbraw/zinc/97/94/91/836979491.db2.gz DYOCBPOVERAYCM-UHFFFAOYSA-N 0 1 396.369 3.919 20 5 GHBDMN O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000181365801 838020891 /nfs/dbraw/zinc/02/08/91/838020891.db2.gz IUCQZMKYULDOMG-AWEZNQCLSA-N 0 1 395.394 3.539 20 5 GHBDMN Cc1nc(-c2ccccc2)[nH]c1C(=O)OCCCOc1ccc([N+](=O)[O-])cc1 ZINC000728726213 838204048 /nfs/dbraw/zinc/20/40/48/838204048.db2.gz UWVVQILZGNYMFF-UHFFFAOYSA-N 0 1 381.388 3.919 20 5 GHBDMN CN(C)[C@@H]1CCOc2c(NC(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)cccc21 ZINC000412304057 838244729 /nfs/dbraw/zinc/24/47/29/838244729.db2.gz MZMGEAOFUDOQKL-YQVWRLOYSA-N 0 1 381.432 3.722 20 5 GHBDMN O=[N+]([O-])c1ccc(CCN2CCc3c(ncn3CCc3ccccc3)C2)cc1 ZINC000121075071 838277140 /nfs/dbraw/zinc/27/71/40/838277140.db2.gz YBGVKBKOOPNCDC-UHFFFAOYSA-N 0 1 376.460 3.635 20 5 GHBDMN Cc1nnc(NC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)[nH]1 ZINC000103254780 838371698 /nfs/dbraw/zinc/37/16/98/838371698.db2.gz GPBHSWYHWXJREJ-UHFFFAOYSA-N 0 1 386.799 3.539 20 5 GHBDMN Cc1n[nH]c(NC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)n1 ZINC000103254780 838371703 /nfs/dbraw/zinc/37/17/03/838371703.db2.gz GPBHSWYHWXJREJ-UHFFFAOYSA-N 0 1 386.799 3.539 20 5 GHBDMN COc1cc(CNC[C@@H]2CCC(C)(C)O2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000189731754 838390310 /nfs/dbraw/zinc/39/03/10/838390310.db2.gz FKGSCYOHAIXLDS-LBPRGKRZSA-N 0 1 392.374 3.592 20 5 GHBDMN COc1cc(C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)cc([N+](=O)[O-])c1C ZINC000189813097 838419548 /nfs/dbraw/zinc/41/95/48/838419548.db2.gz LRQSQFUMZIOFDZ-UHFFFAOYSA-N 0 1 376.319 3.978 20 5 GHBDMN Cc1ccc(-c2cc(CN3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)on2)cc1 ZINC000118866948 838744237 /nfs/dbraw/zinc/74/42/37/838744237.db2.gz ARLWIBDKZYCWCV-MRXNPFEDSA-N 0 1 379.420 3.640 20 5 GHBDMN C[C@@H](N[C@H](C)c1ccc(-n2cccn2)c(F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000549829475 844397870 /nfs/dbraw/zinc/39/78/70/844397870.db2.gz LCHNXZIFMXNGJQ-ZIAGYGMSSA-N 0 1 397.410 3.597 20 5 GHBDMN Cc1[nH]nc(C(=O)N2CCC[C@H](c3cccc(C(F)(F)F)c3)C2)c1[N+](=O)[O-] ZINC000579507407 839151519 /nfs/dbraw/zinc/15/15/19/839151519.db2.gz NSHVXCULPARXHT-LBPRGKRZSA-N 0 1 382.342 3.665 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000472715431 839248729 /nfs/dbraw/zinc/24/87/29/839248729.db2.gz RNYWGWAKNMFPSJ-GOSISDBHSA-N 0 1 398.463 3.732 20 5 GHBDMN Cc1ccc(S(=O)(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c(Br)c1 ZINC000028196714 844447473 /nfs/dbraw/zinc/44/74/73/844447473.db2.gz OICNAWUJZTZJOH-UHFFFAOYSA-N 0 1 389.202 3.606 20 5 GHBDMN O=[N+]([O-])c1ccc([O-])cc1CN1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000580846472 840330248 /nfs/dbraw/zinc/33/02/48/840330248.db2.gz MQTPAZPCOLWPEY-WIYYLYMNSA-N 0 1 381.476 3.787 20 5 GHBDMN COc1cc(CN[C@H](C)c2c(C)nn(CC(F)(F)F)c2C)ccc1[N+](=O)[O-] ZINC000541602512 840458586 /nfs/dbraw/zinc/45/85/86/840458586.db2.gz DOZJBAKGMKYLSJ-SNVBAGLBSA-N 0 1 386.374 3.830 20 5 GHBDMN CC[C@@H](CS(=O)(=O)c1ccccc1)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000181662690 840642907 /nfs/dbraw/zinc/64/29/07/840642907.db2.gz GOWZPPOPBNGGEJ-LPHOPBHVSA-N 0 1 376.478 3.888 20 5 GHBDMN Cc1ccc(CN[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)cc1S(C)(=O)=O ZINC000417334256 840737623 /nfs/dbraw/zinc/73/76/23/840737623.db2.gz RDNHQRFHAVUFPP-LJQANCHMSA-N 0 1 388.489 3.864 20 5 GHBDMN CN(Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)[C@@]1(CO)CCOC1 ZINC000600178210 861194270 /nfs/dbraw/zinc/19/42/70/861194270.db2.gz HJBNPVVKSWXSPA-LJQANCHMSA-N 0 1 392.839 3.624 20 5 GHBDMN COC(=O)[C@H](C)CN(Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccccc1 ZINC000610581533 841405995 /nfs/dbraw/zinc/40/59/95/841405995.db2.gz QBQLRNGFMUIDHK-CQSZACIVSA-N 0 1 383.404 3.547 20 5 GHBDMN O=[N+]([O-])c1cc(CN2CCC[C@@H]2Cc2cc(F)ccc2F)c2c(c1)COCO2 ZINC000418089067 841492750 /nfs/dbraw/zinc/49/27/50/841492750.db2.gz BGGXCMUHDINVKJ-QGZVFWFLSA-N 0 1 390.386 3.947 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133265 841849035 /nfs/dbraw/zinc/84/90/35/841849035.db2.gz PSBWARHDUJUQDL-PGRDOPGGSA-N 0 1 397.475 3.941 20 5 GHBDMN Cc1nc(CC(C)C)c(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])s1 ZINC000157350382 841872091 /nfs/dbraw/zinc/87/20/91/841872091.db2.gz JFNFYUBIZSOXEA-UHFFFAOYSA-N 0 1 383.495 3.543 20 5 GHBDMN Cc1sc(C(=O)Nc2cccc(CN3CCSCC3)c2)cc1[N+](=O)[O-] ZINC000109485934 841924098 /nfs/dbraw/zinc/92/40/98/841924098.db2.gz TZLJBTCOJMTHJT-UHFFFAOYSA-N 0 1 377.491 3.766 20 5 GHBDMN CCc1[nH]nc(C(=O)N2CCC[C@@]2(C)Cc2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000593784533 861293822 /nfs/dbraw/zinc/29/38/22/861293822.db2.gz QIHNRHFFTRAAJY-SFHVURJKSA-N 0 1 376.844 3.771 20 5 GHBDMN CC[C@H](C)NC(=O)[C@H](C)NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000101596002 842627339 /nfs/dbraw/zinc/62/73/39/842627339.db2.gz JGTOOJIRTQFXFE-KBPBESRZSA-N 0 1 389.427 3.919 20 5 GHBDMN CN(C(=O)CN1CCC[C@@H](c2cc3ccccc3[nH]2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000603890276 861336453 /nfs/dbraw/zinc/33/64/53/861336453.db2.gz XHJDBHUXKDOQSO-QGZVFWFLSA-N 0 1 392.459 3.919 20 5 GHBDMN O=C1C[C@@H](c2ccccc2)N(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCN1 ZINC000510541046 842930827 /nfs/dbraw/zinc/93/08/27/842930827.db2.gz YCWBACKJGMMITG-FQEVSTJZSA-N 0 1 391.427 3.918 20 5 GHBDMN COc1cc(C)c([C@H](C)N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000056154167 861437330 /nfs/dbraw/zinc/43/73/30/861437330.db2.gz UOWSWQYBHNLAPU-KBPBESRZSA-N 0 1 387.436 3.598 20 5 GHBDMN CN(Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H](CC(N)=O)c1ccccc1 ZINC000549615640 843666077 /nfs/dbraw/zinc/66/60/77/843666077.db2.gz WRNPBYRCMXBDJC-MRXNPFEDSA-N 0 1 381.354 3.662 20 5 GHBDMN COC(=O)c1cc([C@@H](C)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)oc1C ZINC000432821936 843981516 /nfs/dbraw/zinc/98/15/16/843981516.db2.gz KSTCGDZJOPBDPD-CYBMUJFWSA-N 0 1 388.420 3.887 20 5 GHBDMN COc1c(Cl)cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000509536910 843984376 /nfs/dbraw/zinc/98/43/76/843984376.db2.gz CFTXKWMKWWUHQL-UHFFFAOYSA-N 0 1 377.205 3.711 20 5 GHBDMN O=C(NCC1(c2cccc(C(F)(F)F)c2)CCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000119422056 844664287 /nfs/dbraw/zinc/66/42/87/844664287.db2.gz IBVFRRLBXLKXEK-UHFFFAOYSA-N 0 1 382.342 3.579 20 5 GHBDMN Cc1ccc([C@@H](C)N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1[N+](=O)[O-] ZINC000178690510 844850895 /nfs/dbraw/zinc/85/08/95/844850895.db2.gz NTNSYJJPPIFZQL-ZIAGYGMSSA-N 0 1 386.408 3.798 20 5 GHBDMN Cc1ccc(CN[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc1S(C)(=O)=O ZINC000433096122 845265748 /nfs/dbraw/zinc/26/57/48/845265748.db2.gz CMVPTZRCLGDRNC-SFHVURJKSA-N 0 1 388.489 3.819 20 5 GHBDMN Cc1cc(Cl)c(S(=O)(=O)Nc2ccc3ncsc3c2)cc1[N+](=O)[O-] ZINC000176638654 845374413 /nfs/dbraw/zinc/37/44/13/845374413.db2.gz LVJNHBCVBJLQLO-UHFFFAOYSA-N 0 1 383.838 3.967 20 5 GHBDMN COC(=O)c1cc(NC(=O)c2[nH]c(-c3cccc(C)c3)nc2C)cc([N+](=O)[O-])c1 ZINC000533842645 845456776 /nfs/dbraw/zinc/45/67/76/845456776.db2.gz NPVJTNLVIIEVMZ-UHFFFAOYSA-N 0 1 394.387 3.641 20 5 GHBDMN COc1cccc([C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2)N2CCCC2)c1 ZINC000071794461 845509980 /nfs/dbraw/zinc/50/99/80/845509980.db2.gz RSUJXKFXASTCTG-LJQANCHMSA-N 0 1 384.436 3.562 20 5 GHBDMN O=[N+]([O-])c1cccc([C@@H](NC[C@H](O)COc2ccccc2)c2ccccc2)c1 ZINC000538716145 845596752 /nfs/dbraw/zinc/59/67/52/845596752.db2.gz BVGPPKHOHHRFEF-UNMCSNQZSA-N 0 1 378.428 3.714 20 5 GHBDMN CN(C)C(=O)[C@@H](Cc1ccccc1)N[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433177900 845630659 /nfs/dbraw/zinc/63/06/59/845630659.db2.gz RDDAJFJPIRCPEX-WOJBJXKFSA-N 0 1 381.476 3.606 20 5 GHBDMN Cc1cc(CNCc2cc(I)cc([N+](=O)[O-])c2)cc(C)n1 ZINC000421389141 846206607 /nfs/dbraw/zinc/20/66/07/846206607.db2.gz WSLPNUIOLUMHMY-UHFFFAOYSA-N 0 1 397.216 3.501 20 5 GHBDMN CCc1cc(NCCCN2C[C@@H](C)O[C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000072018802 846235655 /nfs/dbraw/zinc/23/56/55/846235655.db2.gz AYRFMXRHOQRQOP-IYBDPMFKSA-N 0 1 399.495 3.525 20 5 GHBDMN C[C@@H](OC[C@H](O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000511082796 846461597 /nfs/dbraw/zinc/46/15/97/846461597.db2.gz UTLBCNGATHAGNI-DNVCBOLYSA-N 0 1 392.883 3.861 20 5 GHBDMN COc1ccc(CN2CCCN(c3ccc(F)c(F)c3)CC2)cc1[N+](=O)[O-] ZINC000551738733 846492680 /nfs/dbraw/zinc/49/26/80/846492680.db2.gz MPJRURYZAGFEKV-UHFFFAOYSA-N 0 1 377.391 3.594 20 5 GHBDMN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000421792760 846597466 /nfs/dbraw/zinc/59/74/66/846597466.db2.gz QXIAVDOVIWMCIZ-KRWDZBQOSA-N 0 1 391.431 3.974 20 5 GHBDMN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000421792760 846597471 /nfs/dbraw/zinc/59/74/71/846597471.db2.gz QXIAVDOVIWMCIZ-KRWDZBQOSA-N 0 1 391.431 3.974 20 5 GHBDMN COc1cc(CNC[C@H]2CCCCO2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000237275822 846650162 /nfs/dbraw/zinc/65/01/62/846650162.db2.gz DAIHKYRKBFFBHO-GOSISDBHSA-N 0 1 386.448 3.841 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2nc(CNCCOCC(F)(F)C(F)F)cs2)c1 ZINC000277527321 846730565 /nfs/dbraw/zinc/73/05/65/846730565.db2.gz UHPOYEKNWWQIPM-UHFFFAOYSA-N 0 1 393.362 3.725 20 5 GHBDMN COc1cc(CSc2nc(-c3ccccc3F)n[nH]2)c([N+](=O)[O-])cc1F ZINC000183822687 847194049 /nfs/dbraw/zinc/19/40/49/847194049.db2.gz FPMNHRIYXNDCLV-UHFFFAOYSA-N 0 1 378.360 3.959 20 5 GHBDMN O=C(Cn1ccc([N+](=O)[O-])n1)Nc1ccc2nc(-c3ccccc3Cl)[nH]c2c1 ZINC000063306281 847280010 /nfs/dbraw/zinc/28/00/10/847280010.db2.gz SAHOSJQQQGCEDI-UHFFFAOYSA-N 0 1 396.794 3.627 20 5 GHBDMN O=C(NCCCO[C@H]1CCCc2ccccc21)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000303591356 861805459 /nfs/dbraw/zinc/80/54/59/861805459.db2.gz MIWHJMNWQAJVRM-IBGZPJMESA-N 0 1 394.431 3.685 20 5 GHBDMN COc1cccc([C@@H](CNC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)N(C)C)c1 ZINC000127901346 847633822 /nfs/dbraw/zinc/63/38/22/847633822.db2.gz VOFWYCJJGKBGCG-GOSISDBHSA-N 0 1 386.452 3.645 20 5 GHBDMN CC[N@@H+](C)[C@@H](C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000479419099 847637500 /nfs/dbraw/zinc/63/75/00/847637500.db2.gz HBALNWCYYPLXCS-GOSISDBHSA-N 0 1 375.856 3.600 20 5 GHBDMN CCN(C)[C@@H](C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000479419099 847637505 /nfs/dbraw/zinc/63/75/05/847637505.db2.gz HBALNWCYYPLXCS-GOSISDBHSA-N 0 1 375.856 3.600 20 5 GHBDMN COC(=O)c1ccc(C)c(NC(=O)[C@H](C)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000178680856 848477969 /nfs/dbraw/zinc/47/79/69/848477969.db2.gz NWRSRPJLEZIMBX-CABCVRRESA-N 0 1 399.447 3.676 20 5 GHBDMN Cc1ccc([C@@H](C)N[C@@H](C)C(=O)NCCc2c[nH]c3ccccc23)cc1[N+](=O)[O-] ZINC000178690320 848542351 /nfs/dbraw/zinc/54/23/51/848542351.db2.gz INNYPIAEIULDKN-CVEARBPZSA-N 0 1 394.475 3.783 20 5 GHBDMN Cc1ccc([C@H](C)N[C@@H](C)C(=O)NCc2ccccc2Cl)cc1[N+](=O)[O-] ZINC000178688447 848546796 /nfs/dbraw/zinc/54/67/96/848546796.db2.gz TYRHVSWDTDAMMP-KBPBESRZSA-N 0 1 375.856 3.912 20 5 GHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000604244607 862016510 /nfs/dbraw/zinc/01/65/10/862016510.db2.gz WZBYJIRKRRQDDV-AWEZNQCLSA-N 0 1 389.415 3.972 20 5 GHBDMN Cc1ccc(Sc2ccc(CN3CCC[C@@H](C(N)=O)C3)cc2[N+](=O)[O-])cc1 ZINC000434990591 849978663 /nfs/dbraw/zinc/97/86/63/849978663.db2.gz JOFBJFNQDKZUAF-MRXNPFEDSA-N 0 1 385.489 3.752 20 5 GHBDMN CCc1cc(N[C@H](C)c2n[nH]c([C@H](C)CC)n2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000486794892 850102392 /nfs/dbraw/zinc/10/23/92/850102392.db2.gz ACGWOUJFOIMUQI-CHWSQXEVSA-N 0 1 395.467 3.841 20 5 GHBDMN C[N@H+]1CCC[C@H](CN=c2[n-]c(-c3ccc([N+](=O)[O-])cc3)no2)[C@@H]1c1cccs1 ZINC000486948384 850274110 /nfs/dbraw/zinc/27/41/10/850274110.db2.gz WZPDNJPKRDWCHO-RHSMWYFYSA-N 0 1 399.476 3.623 20 5 GHBDMN CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](c2cccs2)N2CCCC2)c1 ZINC000027606896 850488718 /nfs/dbraw/zinc/48/87/18/850488718.db2.gz MTLYADIZURFPEV-INIZCTEOSA-N 0 1 391.518 3.945 20 5 GHBDMN COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(Cl)c1O ZINC000487591611 850762449 /nfs/dbraw/zinc/76/24/49/850762449.db2.gz MPVIAPGDCZIUHH-UHFFFAOYSA-N 0 1 382.825 3.945 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N2CC(OCc3cccc4ccccc43)C2)c1[N+](=O)[O-] ZINC000434232849 850913425 /nfs/dbraw/zinc/91/34/25/850913425.db2.gz AFTYAOHKRHSQLT-UHFFFAOYSA-N 0 1 394.431 3.636 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N(C)[C@@H](Cc2ccc(F)cc2)C(C)C)c1[N+](=O)[O-] ZINC000434243955 850921348 /nfs/dbraw/zinc/92/13/48/850921348.db2.gz QDOCVFALRAUWBU-HNNXBMFYSA-N 0 1 376.432 3.920 20 5 GHBDMN O=C(NCc1ccc(OCc2ccccc2)cc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000505752499 851162130 /nfs/dbraw/zinc/16/21/30/851162130.db2.gz GBSRXUXGUCAROS-UHFFFAOYSA-N 0 1 378.384 3.809 20 5 GHBDMN C[C@@H](CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000488398833 851469499 /nfs/dbraw/zinc/46/94/99/851469499.db2.gz QRZFNLJNHGQNPC-INIZCTEOSA-N 0 1 396.491 3.576 20 5 GHBDMN COc1ccccc1[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1C)N1CCCC1 ZINC000163170560 862308945 /nfs/dbraw/zinc/30/89/45/862308945.db2.gz LECRYRDDUGCQLM-LJQANCHMSA-N 0 1 398.463 3.870 20 5 GHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)cc1 ZINC000028783564 852070424 /nfs/dbraw/zinc/07/04/24/852070424.db2.gz BIRYEJURPNVOMC-UHFFFAOYSA-N 0 1 390.417 3.827 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1CN1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000516169424 852238230 /nfs/dbraw/zinc/23/82/30/852238230.db2.gz XQHOUXYFVXJUHA-UHFFFAOYSA-N 0 1 377.391 3.594 20 5 GHBDMN CCN(CC)[C@H](CNC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccco1 ZINC000489439619 852341242 /nfs/dbraw/zinc/34/12/42/852341242.db2.gz ZBLYOHQVWTWUOM-CRAIPNDOSA-N 0 1 388.468 3.940 20 5 GHBDMN COc1ccc(-c2ccc(CN(CCO)Cc3ccccc3)o2)c([N+](=O)[O-])c1 ZINC000505887421 852392724 /nfs/dbraw/zinc/39/27/24/852392724.db2.gz ZMFHIOGVQKQANC-UHFFFAOYSA-N 0 1 382.416 3.858 20 5 GHBDMN O=C([O-])c1ccc([N+](=O)[O-])c(N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000517942145 852639583 /nfs/dbraw/zinc/63/95/83/852639583.db2.gz HHFUSGZYJIWOFE-OALUTQOASA-N 0 1 395.459 3.784 20 5 GHBDMN CN(c1ccccc1)c1ccc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)cn1 ZINC000437133966 852765236 /nfs/dbraw/zinc/76/52/36/852765236.db2.gz KFAJLTMBURNLLZ-UHFFFAOYSA-N 0 1 392.463 3.791 20 5 GHBDMN CC[N@@H+](CCC1CCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1)CC(C)C ZINC000507349677 852815990 /nfs/dbraw/zinc/81/59/90/852815990.db2.gz WKRIDOXCXRYHIW-UHFFFAOYSA-N 0 1 377.485 3.521 20 5 GHBDMN CCCN(CC)c1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1 ZINC000490399360 853010081 /nfs/dbraw/zinc/01/00/81/853010081.db2.gz OFVFSFKVZPDVOJ-UHFFFAOYSA-N 0 1 394.435 3.869 20 5 GHBDMN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc3nc(C4CCCCC4)[nH]c3c2)n1 ZINC000427373039 853017509 /nfs/dbraw/zinc/01/75/09/853017509.db2.gz UGBZJQNAJRJLDN-UHFFFAOYSA-N 0 1 382.424 3.988 20 5 GHBDMN Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000437476778 853179965 /nfs/dbraw/zinc/17/99/65/853179965.db2.gz FSFFCPDFSXUCCS-FOIQADDNSA-N 0 1 394.431 3.677 20 5 GHBDMN C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000518379394 853278033 /nfs/dbraw/zinc/27/80/33/853278033.db2.gz JKCHSWKMNJJEQQ-KGLIPLIRSA-N 0 1 395.887 3.680 20 5 GHBDMN COc1cccc(C2=CCN(CCOc3ccc(OC)cc3[N+](=O)[O-])CC2)c1 ZINC000437606892 853320065 /nfs/dbraw/zinc/32/00/65/853320065.db2.gz UMVQRGNVWKOZCV-UHFFFAOYSA-N 0 1 384.432 3.780 20 5 GHBDMN C[C@@H]1CCC[N@@H+](Cc2ccccc2CNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000519699681 853384911 /nfs/dbraw/zinc/38/49/11/853384911.db2.gz DGNJKXLJBDRAHL-CQSZACIVSA-N 0 1 384.436 3.532 20 5 GHBDMN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(-c3nncs3)cc2)c1C ZINC000439252366 853461610 /nfs/dbraw/zinc/46/16/10/853461610.db2.gz YRQFOHJKOLFANE-UHFFFAOYSA-N 0 1 390.446 3.531 20 5 GHBDMN COC(=O)COc1ccc(CN(C)C/C(C)=C/c2ccccc2)cc1[N+](=O)[O-] ZINC000426393872 853680973 /nfs/dbraw/zinc/68/09/73/853680973.db2.gz HPKPTGMOAGSGLV-LFIBNONCSA-N 0 1 384.432 3.682 20 5 GHBDMN C[C@@H]1CC(=O)NCCN1Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000589205726 854749479 /nfs/dbraw/zinc/74/94/79/854749479.db2.gz GXMRXWKMOOYERB-CYBMUJFWSA-N 0 1 389.839 3.751 20 5 GHBDMN CN1CC[C@H](NCc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H]1c1ccc(Cl)cc1 ZINC000589284699 854783379 /nfs/dbraw/zinc/78/33/79/854783379.db2.gz XBVIEBRBTJSWAJ-KXBFYZLASA-N 0 1 386.839 3.924 20 5 GHBDMN NC(=O)Cc1ccc(CN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)cc1 ZINC000589344809 854800041 /nfs/dbraw/zinc/80/00/41/854800041.db2.gz LFRXLTZWRLJLAC-JOCHJYFZSA-N 0 1 375.428 3.502 20 5 GHBDMN COc1cc(CN2CCC(Cc3nc([C@@H]4C[C@H]4C)no3)CC2)ccc1[N+](=O)[O-] ZINC000593076518 855096150 /nfs/dbraw/zinc/09/61/50/855096150.db2.gz KHNVCWSDMRQBJU-CZUORRHYSA-N 0 1 386.452 3.565 20 5 GHBDMN Cc1nc(C(C)C)sc1[C@@H](C)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000273425286 855375508 /nfs/dbraw/zinc/37/55/08/855375508.db2.gz KDJNTHGBDYQLJI-GFCCVEGCSA-N 0 1 397.522 3.608 20 5 GHBDMN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1c(=O)[nH][nH]c1-c1ccccc1 ZINC000590400345 855390785 /nfs/dbraw/zinc/39/07/85/855390785.db2.gz UFVMEKVAOPIPCD-NSHDSACASA-N 0 1 384.417 3.810 20 5 GHBDMN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1cccs1)N(C)C ZINC000184648508 855413837 /nfs/dbraw/zinc/41/38/37/855413837.db2.gz XXPSIFIYMPMHQO-WBVHZDCISA-N 0 1 375.494 3.644 20 5 GHBDMN Cc1ccc([C@@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C2CCCC2)o1 ZINC000542683807 855429380 /nfs/dbraw/zinc/42/93/80/855429380.db2.gz VYHWOZBEVLWJJA-IBGZPJMESA-N 0 1 392.477 3.791 20 5 GHBDMN Cc1ccc(C=Cc2n[nH]c(S[C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])n2)o1 ZINC000591374422 855956505 /nfs/dbraw/zinc/95/65/05/855956505.db2.gz DZRFHXPPHBJYDO-PRDAAYKISA-N 0 1 399.432 3.904 20 5 GHBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1C[C@@H](c2cnn(C)c2)C(C)(C)C1 ZINC000573281757 856009133 /nfs/dbraw/zinc/00/91/33/856009133.db2.gz SJTRVNGKYZSNCL-DYVFJYSZSA-N 0 1 396.451 3.565 20 5 GHBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000067446010 856033341 /nfs/dbraw/zinc/03/33/41/856033341.db2.gz HZFHWEYKGFDJKO-CQSZACIVSA-N 0 1 397.431 3.735 20 5 GHBDMN O=C(Nc1nc2ccc(C(F)(F)F)cc2[nH]1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000153808659 856186683 /nfs/dbraw/zinc/18/66/83/856186683.db2.gz BSZMCMXTIQFHDP-UHFFFAOYSA-N 0 1 390.281 3.619 20 5 GHBDMN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1nc2ccc(F)cc2[nH]1 ZINC000184834976 856451039 /nfs/dbraw/zinc/45/10/39/856451039.db2.gz VVZYERVOKASRHX-AWEZNQCLSA-N 0 1 384.411 3.538 20 5 GHBDMN CN(C)[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC000184835392 856454132 /nfs/dbraw/zinc/45/41/32/856454132.db2.gz QTBMBFWAZRNOHQ-INIZCTEOSA-N 0 1 381.354 3.646 20 5 GHBDMN O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)c1cc(-c2ccccc2)no1 ZINC000123277465 856471114 /nfs/dbraw/zinc/47/11/14/856471114.db2.gz GGBWDNWMULJRLJ-UHFFFAOYSA-N 0 1 381.344 3.663 20 5 GHBDMN C[C@H](NCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)C(=O)NC(C)(C)C ZINC000507940238 856692083 /nfs/dbraw/zinc/69/20/83/856692083.db2.gz JUCGVCVRQWMBIA-HNNXBMFYSA-N 0 1 384.480 3.756 20 5 GHBDMN O=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000058531620 856993495 /nfs/dbraw/zinc/99/34/95/856993495.db2.gz KHHQHTFZIOLETD-UHFFFAOYSA-N 0 1 396.422 3.610 20 5 GHBDMN C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000441826486 857139329 /nfs/dbraw/zinc/13/93/29/857139329.db2.gz RJPKTLUDPYZLSL-BBWFWOEESA-N 0 1 389.496 3.616 20 5 GHBDMN CCOc1ccc(NC(=O)CN(C)[C@H]2CC[C@H](SCC)C2)c([N+](=O)[O-])c1 ZINC000173867938 857170445 /nfs/dbraw/zinc/17/04/45/857170445.db2.gz UKRMAMAQNWFNAA-ZFWWWQNUSA-N 0 1 381.498 3.538 20 5 GHBDMN CO[C@@H]1COC[C@H]1NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000574202257 857281473 /nfs/dbraw/zinc/28/14/73/857281473.db2.gz JSKMQBPCQOFZPW-RDTXWAMCSA-N 0 1 378.812 3.544 20 5 GHBDMN COc1ccc(-c2nc(Cc3noc(-c4cc(O)cc([N+](=O)[O-])c4)n3)co2)cc1 ZINC000486060405 857375498 /nfs/dbraw/zinc/37/54/98/857375498.db2.gz LQAGAGDOCGXMLE-UHFFFAOYSA-N 0 1 394.343 3.605 20 5 GHBDMN CCS[C@H]1CCCCN([C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000246543200 857404653 /nfs/dbraw/zinc/40/46/53/857404653.db2.gz BYPSENXMLLZXIT-HIFRSBDPSA-N 0 1 381.498 3.538 20 5 GHBDMN C[C@H]1CN(Cc2ccccc2)CCN(C(=O)c2cccc([N+](=O)[O-])c2Cl)C1 ZINC000323699069 857694035 /nfs/dbraw/zinc/69/40/35/857694035.db2.gz FODGVMKMAFNWBN-HNNXBMFYSA-N 0 1 387.867 3.842 20 5 GHBDMN COc1ccc(C(=O)Nc2ccc3nc(-c4ccccn4)[nH]c3c2)cc1[N+](=O)[O-] ZINC000114100853 857894667 /nfs/dbraw/zinc/89/46/67/857894667.db2.gz YULVDAYRDFNNBY-UHFFFAOYSA-N 0 1 389.371 3.794 20 5 GHBDMN Cc1[nH]ncc1CCCNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000508395088 857935716 /nfs/dbraw/zinc/93/57/16/857935716.db2.gz AVBFZVPIAFDRFK-UHFFFAOYSA-N 0 1 380.404 3.781 20 5 GHBDMN O=C(N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1ccccc1[N+](=O)[O-] ZINC000114424945 858022310 /nfs/dbraw/zinc/02/23/10/858022310.db2.gz XVPDDKGIAKXIEB-OAHLLOKOSA-N 0 1 393.365 3.618 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2ccc(CNCc3nc([C@@H]4CCCO4)n[nH]3)s2)cc1 ZINC000594508777 858204606 /nfs/dbraw/zinc/20/46/06/858204606.db2.gz BZBDNGAUZWYBNW-HNNXBMFYSA-N 0 1 385.449 3.583 20 5 GHBDMN Cc1cnc(OC2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)CC2)nc1 ZINC000594612373 858241473 /nfs/dbraw/zinc/24/14/73/858241473.db2.gz IQJMSQXWOWENFM-UHFFFAOYSA-N 0 1 394.431 3.997 20 5 GHBDMN COc1ccc2nc(SCc3nc(-c4ccc([N+](=O)[O-])cc4)no3)[nH]c2c1 ZINC000008025786 863008138 /nfs/dbraw/zinc/00/81/38/863008138.db2.gz RXIHPHUYYHKQKB-UHFFFAOYSA-N 0 1 383.389 3.822 20 5 GHBDMN Cc1ccccc1C[N@H+]1CCCN(c2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)CC1 ZINC000592968793 858459433 /nfs/dbraw/zinc/45/94/33/858459433.db2.gz MWOOQYCXLYRWAX-UHFFFAOYSA-N 0 1 383.448 3.622 20 5 GHBDMN CC[C@H](NCc1cc(C(=O)OC)ccc1[N+](=O)[O-])c1ccc(OC)c(OC)c1 ZINC000593029052 858568069 /nfs/dbraw/zinc/56/80/69/858568069.db2.gz RXTZSYBFMORXOP-INIZCTEOSA-N 0 1 388.420 3.640 20 5 GHBDMN Cc1ccc(-c2cncc(F)c2)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000509383965 859255352 /nfs/dbraw/zinc/25/53/52/859255352.db2.gz KEJHEDPRSLYGBH-UHFFFAOYSA-N 0 1 387.392 3.905 20 5 GHBDMN COc1cc(CN(C)Cc2cnc[nH]2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000597171138 859316655 /nfs/dbraw/zinc/31/66/55/859316655.db2.gz BQYQBVKCTMSKPB-UHFFFAOYSA-N 0 1 382.420 3.538 20 5 GHBDMN Cc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(-c3nnc[nH]3)cc2F)cc1Cl ZINC001128482131 859331297 /nfs/dbraw/zinc/33/12/97/859331297.db2.gz FWBFHMZFASTKAK-UHFFFAOYSA-N 0 1 375.747 3.733 20 5 GHBDMN CNC(=O)[C@H](CC(C)C)NCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000611120320 859618019 /nfs/dbraw/zinc/61/80/19/859618019.db2.gz WPLBKEVKEFLZBD-SFHVURJKSA-N 0 1 384.480 3.613 20 5 GHBDMN Cc1cc(F)c(Br)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000317972382 859681113 /nfs/dbraw/zinc/68/11/13/859681113.db2.gz OWSRNTAFHZMIKX-UHFFFAOYSA-N 0 1 389.202 3.606 20 5 GHBDMN CC(C)(C)N1CC[C@@H]1CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000597861886 859878020 /nfs/dbraw/zinc/87/80/20/859878020.db2.gz XRXSDISPCWWTFP-QGZVFWFLSA-N 0 1 397.475 3.776 20 5 GHBDMN CCC[C@H](NCCS(=O)(=O)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000765329598 859910739 /nfs/dbraw/zinc/91/07/39/859910739.db2.gz WJQRKZRYNULIQH-IBGZPJMESA-N 0 1 376.478 3.641 20 5 GHBDMN COc1ccc(OCCN2CC[C@H](C(F)(F)F)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000484364398 859973435 /nfs/dbraw/zinc/97/34/35/859973435.db2.gz XAMOYIXCYACSND-HNNXBMFYSA-N 0 1 376.375 3.893 20 5 GHBDMN Cc1ccc(CNC(=O)C2CCN(Cc3ccc(C)c([N+](=O)[O-])c3)CC2)cc1 ZINC000092668078 860098705 /nfs/dbraw/zinc/09/87/05/860098705.db2.gz HHXUFZPRPPLEKO-UHFFFAOYSA-N 0 1 381.476 3.740 20 5 GHBDMN CC[C@@H](C)c1nc([C@@H](C)NCc2cc(Br)c([N+](=O)[O-])s2)n[nH]1 ZINC000602632372 860184503 /nfs/dbraw/zinc/18/45/03/860184503.db2.gz SRQFDJQMWMZOIG-HTQZYQBOSA-N 0 1 388.291 3.901 20 5 GHBDMN O=C(N[C@@H]1CCCc2cn[nH]c21)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000484730689 860309296 /nfs/dbraw/zinc/30/92/96/860309296.db2.gz SYDADPUVUAPCHM-GOSISDBHSA-N 0 1 391.431 3.737 20 5 GHBDMN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1cccc(CN2CCN(C)CC2)c1 ZINC000094055665 860402580 /nfs/dbraw/zinc/40/25/80/860402580.db2.gz MBTWBQXOZJINPX-UHFFFAOYSA-N 0 1 396.491 3.520 20 5 GHBDMN CCCC[N@@H+](CC)Cc1cccc(CNC(=O)c2cc([O-])ccc2[N+](=O)[O-])c1 ZINC000552326969 860509534 /nfs/dbraw/zinc/50/95/34/860509534.db2.gz LBXOICYQEZSGDE-UHFFFAOYSA-N 0 1 385.464 3.852 20 5 GHBDMN CSc1ccc(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000603601994 860888000 /nfs/dbraw/zinc/88/80/00/860888000.db2.gz SAUKTQOGUVQJHI-KRWDZBQOSA-N 0 1 385.489 3.711 20 5 GHBDMN CCOc1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1OC ZINC000603598558 860913484 /nfs/dbraw/zinc/91/34/84/860913484.db2.gz LDBXTQOVDPBLCC-KGLIPLIRSA-N 0 1 387.436 3.680 20 5 GHBDMN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN[C@H](c2nnc[nH]2)c2ccccc2)c1 ZINC000555460986 860950748 /nfs/dbraw/zinc/95/07/48/860950748.db2.gz GPSOCLOPQOQXRY-HNNXBMFYSA-N 0 1 377.326 3.611 20 5 GHBDMN COc1ccc(C[C@@H]2CCCC[N@H+]2Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])cc1 ZINC000593755672 861185042 /nfs/dbraw/zinc/18/50/42/861185042.db2.gz KNDHHEHGSKEPNU-SFHVURJKSA-N 0 1 384.432 3.899 20 5 GHBDMN O=[N+]([O-])c1ccc(Oc2cccc(NS(=O)(=O)c3cncc(F)c3)c2)cc1 ZINC000522693342 863094417 /nfs/dbraw/zinc/09/44/17/863094417.db2.gz SLSGQMGSYQZMAM-UHFFFAOYSA-N 0 1 389.364 3.722 20 5 GHBDMN CC[C@@H](Cc1ccc(C)cc1)N(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000444243450 863744504 /nfs/dbraw/zinc/74/45/04/863744504.db2.gz PYINMKZXKSWHKE-KRWDZBQOSA-N 0 1 385.464 3.803 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1CN1CCC(c2ccc3cccnc3n2)CC1 ZINC000594019304 863758854 /nfs/dbraw/zinc/75/88/54/863758854.db2.gz JRLUEAAAIUBBSN-UHFFFAOYSA-N 0 1 378.432 3.926 20 5 GHBDMN CCc1[nH]nc(C(=O)N2CCc3cc(Cl)c(Cl)cc3[C@H]2C)c1[N+](=O)[O-] ZINC000444298141 863833048 /nfs/dbraw/zinc/83/30/48/863833048.db2.gz VWNGNZWUOBJOMN-MRVPVSSYSA-N 0 1 383.235 3.947 20 5 GHBDMN O=c1ccccn1Cc1ccc(CNCc2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000172672028 863837428 /nfs/dbraw/zinc/83/74/28/863837428.db2.gz PSTMANHEHARWJJ-UHFFFAOYSA-N 0 1 383.835 3.748 20 5 GHBDMN CC[C@H](C(=O)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1)N(CC)CC ZINC000735991579 865096863 /nfs/dbraw/zinc/09/68/63/865096863.db2.gz ZFIOWQDNVZAWLZ-LJQANCHMSA-N 0 1 399.447 3.873 20 5 GHBDMN COc1ccc(-c2n[nH]c(SCc3cc(F)ccc3[N+](=O)[O-])n2)c(OC)c1 ZINC000144770681 865196040 /nfs/dbraw/zinc/19/60/40/865196040.db2.gz SKDDTXTZFJRPRJ-UHFFFAOYSA-N 0 1 390.396 3.829 20 5 GHBDMN O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3cccc(OC(F)(F)F)c3)C2)nc1 ZINC000537633002 881930008 /nfs/dbraw/zinc/93/00/08/881930008.db2.gz CGVYCHCZFDOQHJ-ZDUSSCGKSA-N 0 1 382.342 3.575 20 5 GHBDMN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000475550293 866239823 /nfs/dbraw/zinc/23/98/23/866239823.db2.gz HPEBQCADEXGCLW-UHFFFAOYSA-N 0 1 382.464 3.782 20 5 GHBDMN O=[N+]([O-])c1ccccc1OCCN1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000552835298 866301736 /nfs/dbraw/zinc/30/17/36/866301736.db2.gz HYULYANPFLCPHE-CQSZACIVSA-N 0 1 397.353 3.541 20 5 GHBDMN COC(=O)COc1ccc(CN(Cc2ccco2)C2CCCC2)cc1[N+](=O)[O-] ZINC000475582338 866428980 /nfs/dbraw/zinc/42/89/80/866428980.db2.gz SBGXKODNMDYZBN-UHFFFAOYSA-N 0 1 388.420 3.684 20 5 GHBDMN COC(=O)COc1ccc(CN(C)[C@@H](C)c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000475583023 866433602 /nfs/dbraw/zinc/43/36/02/866433602.db2.gz VFTCOHBFFAESPK-ZDUSSCGKSA-N 0 1 392.839 3.993 20 5 GHBDMN CC(C)CN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)CC1 ZINC000534276678 866494896 /nfs/dbraw/zinc/49/48/96/866494896.db2.gz OWGRLXQPGHYMPK-UHFFFAOYSA-N 0 1 396.491 3.621 20 5 GHBDMN C[C@H](N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000478906406 866856504 /nfs/dbraw/zinc/85/65/04/866856504.db2.gz QFFXJJQJKIGRLY-GTNSWQLSSA-N 0 1 377.803 3.843 20 5 GHBDMN COc1ccc(NC(=O)CCN(C)Cc2cc(C)ccc2F)c([N+](=O)[O-])c1 ZINC000444741261 867164125 /nfs/dbraw/zinc/16/41/25/867164125.db2.gz XUCDJPNHJZRJRB-UHFFFAOYSA-N 0 1 375.400 3.512 20 5 GHBDMN Cc1cccc(F)c1CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000742326567 867207683 /nfs/dbraw/zinc/20/76/83/867207683.db2.gz VNEKJCYHDGQBRU-UHFFFAOYSA-N 0 1 393.223 3.828 20 5 GHBDMN O=C(Nc1ccc2nc(-c3ccc(F)cc3)[nH]c2c1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000444843648 867332717 /nfs/dbraw/zinc/33/27/17/867332717.db2.gz BFQCVPHSAUYBSE-UHFFFAOYSA-N 0 1 393.334 3.630 20 5 GHBDMN COc1ccc(S(=O)(=O)Nc2cc(-c3ccccc3)cnc2C)c([N+](=O)[O-])c1 ZINC000534793579 867501666 /nfs/dbraw/zinc/50/16/66/867501666.db2.gz KVNWYSKVGFVUEX-UHFFFAOYSA-N 0 1 399.428 3.775 20 5 GHBDMN CCc1ccc([C@H](NC[C@@H]2CCCN(C(C)=O)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000479497184 867891720 /nfs/dbraw/zinc/89/17/20/867891720.db2.gz KOJWZLYRXXNDEN-HRAATJIYSA-N 0 1 385.464 3.688 20 5 GHBDMN COCC(C)(C)CCCNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000553915324 868458313 /nfs/dbraw/zinc/45/83/13/868458313.db2.gz TYJDULDDQQHMGQ-UHFFFAOYSA-N 0 1 399.296 3.633 20 5 GHBDMN Cn1c(C(=O)N2CCN(Cc3ccccc3)C3(CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000479858993 868612790 /nfs/dbraw/zinc/61/27/90/868612790.db2.gz IQNBQAZHHFERDQ-UHFFFAOYSA-N 0 1 396.491 3.594 20 5 GHBDMN COc1cc2c(cc1F)nccc2N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000479846927 868624573 /nfs/dbraw/zinc/62/45/73/868624573.db2.gz HAJDPEVGLHPQRB-UHFFFAOYSA-N 0 1 382.395 3.617 20 5 GHBDMN O=[N+]([O-])c1ccc(CNC[C@H](c2ccccc2Cl)N2CCOCC2)c(F)c1 ZINC000479997778 868879589 /nfs/dbraw/zinc/87/95/89/868879589.db2.gz NHBVBOAMGVTXQS-LJQANCHMSA-N 0 1 393.846 3.550 20 5 GHBDMN CCOc1ccc2c(c1)CCN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C2 ZINC000539849659 869896389 /nfs/dbraw/zinc/89/63/89/869896389.db2.gz JMWLPROADQFOLU-UHFFFAOYSA-N 0 1 392.459 3.952 20 5 GHBDMN CC(C)c1ccc(CN[C@@H]2CC(=O)N([C@@H]3C[C@H]3c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000462752791 870001390 /nfs/dbraw/zinc/00/13/90/870001390.db2.gz BYFPFEFLUZJYDQ-HLAWJBBLSA-N 0 1 393.487 3.965 20 5 GHBDMN C[C@@H]1C[C@@H]1N1C[C@@H](NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1=O ZINC000462745287 870012233 /nfs/dbraw/zinc/01/22/33/870012233.db2.gz KBSKGHSIWPIQSY-SKDZVZGDSA-N 0 1 399.422 3.625 20 5 GHBDMN CNc1c(C(=O)Nc2nc3ccc(C(F)(F)F)cc3[nH]2)cccc1[N+](=O)[O-] ZINC000462761524 870023069 /nfs/dbraw/zinc/02/30/69/870023069.db2.gz AHOXHHPSXRJFTM-UHFFFAOYSA-N 0 1 379.298 3.784 20 5 GHBDMN COCc1cc([N+](=O)[O-])ccc1NCc1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000525127848 870032113 /nfs/dbraw/zinc/03/21/13/870032113.db2.gz JBLTZUPVMKWJDK-IRXDYDNUSA-N 0 1 399.491 3.963 20 5 GHBDMN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000462756616 870036704 /nfs/dbraw/zinc/03/67/04/870036704.db2.gz UVVKIZHSXGPRIH-UZLBHIALSA-N 0 1 387.455 3.722 20 5 GHBDMN O=C(CCC(=O)c1ccc2ccc3cccc4ccc1c2c34)NCc1nnc[nH]1 ZINC000746245527 870138769 /nfs/dbraw/zinc/13/87/69/870138769.db2.gz SIFDUHVAYAMXFM-UHFFFAOYSA-N 0 1 382.423 3.981 20 5 GHBDMN O=C(CCN1CCc2ccc([N+](=O)[O-])cc2C1)N[C@H]1CCCc2ccccc21 ZINC000446713920 870218836 /nfs/dbraw/zinc/21/88/36/870218836.db2.gz BVZXYRIHCDNJNN-NRFANRHFSA-N 0 1 379.460 3.537 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H]1CC(=O)N(C)[C@H]1c1ccc(F)c(F)c1 ZINC000540142994 870592417 /nfs/dbraw/zinc/59/24/17/870592417.db2.gz BCSFSUFGNSAXES-OPURJYLOSA-N 0 1 389.402 3.804 20 5 GHBDMN Cc1ccc([C@H](C)N[C@H]2CC(=O)N(C)[C@@H]2c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000540145829 870599382 /nfs/dbraw/zinc/59/93/82/870599382.db2.gz ZADUVKZRCPJHAI-CYFODOTGSA-N 0 1 389.402 3.804 20 5 GHBDMN CCc1[nH]nc(C(=O)N2CCC[C@H]2c2cccc(Br)c2)c1[N+](=O)[O-] ZINC000195438642 882440357 /nfs/dbraw/zinc/44/03/57/882440357.db2.gz YCOHVFHWPQKLCW-ZDUSSCGKSA-N 0 1 393.241 3.620 20 5 GHBDMN Cc1ccc(S(=O)(=O)Nc2cc(F)c(OC(F)F)cc2F)c([N+](=O)[O-])c1 ZINC000447276127 871302512 /nfs/dbraw/zinc/30/25/12/871302512.db2.gz YFTQPSKDJHGKEQ-UHFFFAOYSA-N 0 1 394.302 3.584 20 5 GHBDMN Cc1ccc([C@H](C)NCC(=O)Nc2ccnn2CC2CCCCC2)cc1[N+](=O)[O-] ZINC000540479200 871361667 /nfs/dbraw/zinc/36/16/67/871361667.db2.gz UYUADTBTMHPHRW-INIZCTEOSA-N 0 1 399.495 3.969 20 5 GHBDMN Cc1ccc(NC(=O)NC(=O)CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(C)c1 ZINC000181833557 871537084 /nfs/dbraw/zinc/53/70/84/871537084.db2.gz LRVDYRPRJDKTAA-OAHLLOKOSA-N 0 1 384.436 3.519 20 5 GHBDMN C[C@@H](c1ccsc1)N1CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC001169539445 871615186 /nfs/dbraw/zinc/61/51/86/871615186.db2.gz MVZFSTKCPKZWCJ-INIZCTEOSA-N 0 1 375.494 3.804 20 5 GHBDMN CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CN(Cc2ccccc2)CC[C@@H]1C ZINC001169542496 871621262 /nfs/dbraw/zinc/62/12/62/871621262.db2.gz XDRQJDKJAKCZJK-KXBFYZLASA-N 0 1 399.516 3.957 20 5 GHBDMN CCc1ccc([C@@H]2CCN(CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C2)cc1 ZINC001194714094 871913215 /nfs/dbraw/zinc/91/32/15/871913215.db2.gz HCUCZXFSLOAVET-LJQANCHMSA-N 0 1 379.460 3.536 20 5 GHBDMN CC[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000182197793 872018598 /nfs/dbraw/zinc/01/85/98/872018598.db2.gz DEPKSBBIYZVVQT-QGZVFWFLSA-N 0 1 382.869 3.763 20 5 GHBDMN O=[N+]([O-])c1cc(CN[C@@H](CO)[C@H]2CCCO2)ccc1Oc1ccccc1Cl ZINC000447975869 872593037 /nfs/dbraw/zinc/59/30/37/872593037.db2.gz IGSLUUPSBUOOTQ-MAUKXSAKSA-N 0 1 392.839 3.670 20 5 GHBDMN Cc1c(CC(=O)N2C[C@@H](C)N(Cc3ccccc3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC001127247490 872912386 /nfs/dbraw/zinc/91/23/86/872912386.db2.gz XLNCUKZDHLJVDG-IAGOWNOFSA-N 0 1 381.476 3.567 20 5 GHBDMN CC(C)(C)OC(=O)NCC1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000768346007 873267230 /nfs/dbraw/zinc/26/72/30/873267230.db2.gz XBPMWQFNUVYQDQ-SOFGYWHQSA-N 0 1 375.469 3.845 20 5 GHBDMN CCc1[nH]nc(C(=O)N2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)c1[N+](=O)[O-] ZINC000768736206 873543341 /nfs/dbraw/zinc/54/33/41/873543341.db2.gz SWVKPCLKUPKQJU-LLVKDONJSA-N 0 1 382.342 3.529 20 5 GHBDMN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000448773293 873948141 /nfs/dbraw/zinc/94/81/41/873948141.db2.gz HCASVWNJBILPMH-VQIMIIECSA-N 0 1 395.459 3.509 20 5 GHBDMN C[C@H](NCc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000541687417 874092509 /nfs/dbraw/zinc/09/25/09/874092509.db2.gz SQTZFNMCJQRQIX-QHRIQVFBSA-N 0 1 380.404 3.688 20 5 GHBDMN O=C(CN1CC[C@H](CSc2ccccc2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000464772740 874503768 /nfs/dbraw/zinc/50/37/68/874503768.db2.gz LZZNWWIOMDQHSK-INIZCTEOSA-N 0 1 397.500 3.598 20 5 GHBDMN C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)N1C[C@@H]2CCC[C@@H]2C1 ZINC000464899718 874712332 /nfs/dbraw/zinc/71/23/32/874712332.db2.gz UCCLHLPJISATNW-AEGPPILISA-N 0 1 386.477 3.777 20 5 GHBDMN O=C(Nc1cccc(-c2cn[nH]n2)c1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000443683107 874875949 /nfs/dbraw/zinc/87/59/49/874875949.db2.gz QBUGZAMGOGGVCL-UHFFFAOYSA-N 0 1 392.400 3.756 20 5 GHBDMN COc1ccc(CN2CCOCC3(CC3)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000542173690 875085070 /nfs/dbraw/zinc/08/50/70/875085070.db2.gz GAWKLUAZJIQVFM-UHFFFAOYSA-N 0 1 398.459 3.795 20 5 GHBDMN COc1cc(CN(C)[C@@H]2C[C@@H](OC)C23CCC3)c([N+](=O)[O-])cc1OC(F)F ZINC000449627816 875149500 /nfs/dbraw/zinc/14/95/00/875149500.db2.gz AUGMDTWPPMYNMM-HZPDHXFCSA-N 0 1 386.395 3.594 20 5 GHBDMN Cc1ccc2nc(CNC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C(C)C)[nH]c2c1 ZINC000466752510 875352603 /nfs/dbraw/zinc/35/26/03/875352603.db2.gz ITEYSWMMOYVXGN-UHFFFAOYSA-N 0 1 381.436 3.900 20 5 GHBDMN CC[C@@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000029909127 875663680 /nfs/dbraw/zinc/66/36/80/875663680.db2.gz XYRXALBXLHVJBP-KRWDZBQOSA-N 0 1 387.867 3.815 20 5 GHBDMN Cc1[nH+]c2ccc(Cl)cn2c1[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000785551442 876104639 /nfs/dbraw/zinc/10/46/39/876104639.db2.gz WBIGLAGUTKSGKI-UHFFFAOYSA-N 0 1 394.840 3.622 20 5 GHBDMN O=[N+]([O-])c1ccccc1/C=C/CN[C@H](CO)c1ccc(Br)c(F)c1 ZINC000492224350 876480690 /nfs/dbraw/zinc/48/06/90/876480690.db2.gz JJGZHDJATABZKL-LLCTXKFZSA-N 0 1 395.228 3.833 20 5 GHBDMN O=[N+]([O-])c1ccccc1/C=C/CN[C@@H](CO)c1ccc(Br)c(F)c1 ZINC000492224353 876482048 /nfs/dbraw/zinc/48/20/48/876482048.db2.gz JJGZHDJATABZKL-WMHVBEDNSA-N 0 1 395.228 3.833 20 5 GHBDMN COc1ccc(NC(=O)[C@@H](C)N[C@H](C)c2cc(C)ccc2OC)c([N+](=O)[O-])c1 ZINC000152030589 876547040 /nfs/dbraw/zinc/54/70/40/876547040.db2.gz SVBMDABOVZEWIC-ZIAGYGMSSA-N 0 1 387.436 3.598 20 5 GHBDMN COc1cc(COC(=O)c2c(C)n[nH]c2C(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000786344203 876609627 /nfs/dbraw/zinc/60/96/27/876609627.db2.gz XTIHBPGWVMQIFL-UHFFFAOYSA-N 0 1 399.350 3.717 20 5 GHBDMN Cc1cc(N2C[C@H](c3ccccc3)[C@@](F)(CO)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000450659635 876744461 /nfs/dbraw/zinc/74/44/61/876744461.db2.gz QWMAMCNFYNBCRX-NQIIRXRSSA-N 0 1 381.407 3.756 20 5 GHBDMN COc1cc(CN2CCC(n3ccc(C(F)(F)F)n3)CC2)ccc1[N+](=O)[O-] ZINC000492515481 876979939 /nfs/dbraw/zinc/97/99/39/876979939.db2.gz NOGCNUSPCAEWSC-UHFFFAOYSA-N 0 1 384.358 3.656 20 5 GHBDMN CC[C@H](C)N1CCN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000450862375 876988096 /nfs/dbraw/zinc/98/80/96/876988096.db2.gz QTWKGAPWEVDQSC-JTQLQIEISA-N 0 1 382.333 3.564 20 5 GHBDMN C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000746639081 877174703 /nfs/dbraw/zinc/17/47/03/877174703.db2.gz CQZTVRCQYYVSKX-OAHLLOKOSA-N 0 1 387.867 3.985 20 5 GHBDMN CO[C@@H](CS(=O)(=O)Nc1cc([N+](=O)[O-])ccc1NC(C)C)c1ccccc1 ZINC000451093349 877357244 /nfs/dbraw/zinc/35/72/44/877357244.db2.gz FECPXZOYLDLJOB-SFHVURJKSA-N 0 1 393.465 3.545 20 5 GHBDMN CCOc1ccccc1[C@H](CC)NC(=O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451102002 877395540 /nfs/dbraw/zinc/39/55/40/877395540.db2.gz BBVNPYJZPMDRFU-KXBFYZLASA-N 0 1 385.464 3.912 20 5 GHBDMN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000610127875 877441570 /nfs/dbraw/zinc/44/15/70/877441570.db2.gz ORMGIRBJEBINCS-OAHLLOKOSA-N 0 1 387.867 3.985 20 5 GHBDMN CC[C@H]1Oc2cc([C@H](C)NCc3ccc([N+](=O)[O-])c(OC)c3)ccc2NC1=O ZINC000492757020 877519769 /nfs/dbraw/zinc/51/97/69/877519769.db2.gz NYUVZPHPQAEUPT-YVEFUNNKSA-N 0 1 385.420 3.564 20 5 GHBDMN C[C@H](C(=O)c1c[nH]c2ncccc12)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451545201 878117202 /nfs/dbraw/zinc/11/72/02/878117202.db2.gz HAEPNSJHUKFHEF-GDBMZVCRSA-N 0 1 378.432 3.922 20 5 GHBDMN Cc1cc(C)c(N2CC[C@@H](N[C@H](C)c3ccc(N)c([N+](=O)[O-])c3)C2=O)c(C)c1 ZINC000788775303 878337371 /nfs/dbraw/zinc/33/73/71/878337371.db2.gz HPQSRGZDKVXPCO-CRAIPNDOSA-N 0 1 382.464 3.558 20 5 GHBDMN Cc1ccc(-c2n[nH]c(NC(=O)CCCNc3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000530836253 878577690 /nfs/dbraw/zinc/57/76/90/878577690.db2.gz QLVFIWNRXVYUIK-UHFFFAOYSA-N 0 1 380.408 3.519 20 5 GHBDMN C[C@H](NC(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000530839798 878585551 /nfs/dbraw/zinc/58/55/51/878585551.db2.gz YUMCIQYUUDSZGS-UGSOOPFHSA-N 0 1 390.871 3.911 20 5 GHBDMN O=C(NC[C@H]1CCCN(c2ccc(C(F)(F)F)c([N+](=O)[O-])c2)C1)C(F)(F)F ZINC000853637066 879196601 /nfs/dbraw/zinc/19/66/01/879196601.db2.gz NEZOCPJXAZOOJM-SECBINFHSA-N 0 1 399.291 3.509 20 5 GHBDMN Cc1c(Cl)cc(S(=O)(=O)Nc2ccc3ncsc3c2)cc1[N+](=O)[O-] ZINC000520018745 879198603 /nfs/dbraw/zinc/19/86/03/879198603.db2.gz RTDZXOIBPLDVSM-UHFFFAOYSA-N 0 1 383.838 3.967 20 5 GHBDMN CCC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(OC)c2)CCN1Cc1ccccc1 ZINC000538330917 879282120 /nfs/dbraw/zinc/28/21/20/879282120.db2.gz CYYCPBJMOBCKKW-LJQANCHMSA-N 0 1 397.475 3.730 20 5 GHBDMN CN(C)[C@@H](CNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)c1cccs1 ZINC000493439714 879434655 /nfs/dbraw/zinc/43/46/55/879434655.db2.gz KJTBPCTZEQOCOB-INIZCTEOSA-N 0 1 375.494 3.987 20 5 GHBDMN CC(C)(C)[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000461271273 879492538 /nfs/dbraw/zinc/49/25/38/879492538.db2.gz KXVLHWGKCQZSCW-CYBMUJFWSA-N 0 1 384.358 3.724 20 5 GHBDMN C[C@H](N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000538501445 879584565 /nfs/dbraw/zinc/58/45/65/879584565.db2.gz MGMDXRJOJYFXIW-APPDUMDISA-N 0 1 377.803 3.843 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](c1ccc(Cl)cc1)N(C)C ZINC000531315403 879594731 /nfs/dbraw/zinc/59/47/31/879594731.db2.gz OMKBBDSRQPTQQM-MRXNPFEDSA-N 0 1 392.843 3.681 20 5 GHBDMN Cc1ccc(Sc2ccc(CN3CC[C@](C)(C(N)=O)C3)cc2[N+](=O)[O-])cc1 ZINC000475678010 879608437 /nfs/dbraw/zinc/60/84/37/879608437.db2.gz HCGQSONWIMMULD-FQEVSTJZSA-N 0 1 385.489 3.752 20 5 GHBDMN Cc1cc(Cl)ccc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000790381851 879651447 /nfs/dbraw/zinc/65/14/47/879651447.db2.gz DIVUFZIVVGROIJ-UHFFFAOYSA-N 0 1 399.812 3.882 20 5 GHBDMN COC1CCC(Cc2noc(-c3cc(-c4ccc([N+](=O)[O-])cc4)n[nH]3)n2)CC1 ZINC000453151649 880518486 /nfs/dbraw/zinc/51/84/86/880518486.db2.gz NRYBZJZEGPRYLG-UHFFFAOYSA-N 0 1 383.408 3.783 20 5 GHBDMN CCOC(=O)C1(CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCCC1 ZINC000792196552 880981266 /nfs/dbraw/zinc/98/12/66/880981266.db2.gz LGPBGCCEJMOVFY-UHFFFAOYSA-N 0 1 389.477 3.931 20 5 GHBDMN CCc1[nH]nc(C(=O)N(OC)[C@@H](C)c2cccc(C(F)(F)F)c2)c1[N+](=O)[O-] ZINC000856340914 881148123 /nfs/dbraw/zinc/14/81/23/881148123.db2.gz UYWQPOIJDRUXLO-VIFPVBQESA-N 0 1 386.330 3.664 20 5 GHBDMN Cc1ccc(S(=O)(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)cc1F ZINC000551114408 883305330 /nfs/dbraw/zinc/30/53/30/883305330.db2.gz NPWBTVSSXRWNON-UHFFFAOYSA-N 0 1 389.202 3.606 20 5 GHBDMN C[C@@H]1CN(c2ccc(CN[C@@H]3CCCc4ccc([N+](=O)[O-])cc43)cn2)C[C@@H](C)O1 ZINC000192675515 883490362 /nfs/dbraw/zinc/49/03/62/883490362.db2.gz SDIWUYQXYOABDF-WHSLLNHNSA-N 0 1 396.491 3.771 20 5 GHBDMN C[C@@H]1SCCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[C@@H]1c1ccccc1 ZINC000609822575 883697909 /nfs/dbraw/zinc/69/79/09/883697909.db2.gz KQIKQZWFDYQXEF-SGTLLEGYSA-N 0 1 382.445 3.790 20 5 GHBDMN O=C(Nc1ccc(-c2nc3ccc(F)cc3[nH]2)cc1)c1ccc([N+](=O)[O-])cn1 ZINC000532393421 883910328 /nfs/dbraw/zinc/91/03/28/883910328.db2.gz YJPWJRKGHVWVFL-UHFFFAOYSA-N 0 1 377.335 3.925 20 5 GHBDMN C[C@H]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000805789071 884073644 /nfs/dbraw/zinc/07/36/44/884073644.db2.gz YAKMELQPDUBDHM-BHDSKKPTSA-N 0 1 393.793 3.526 20 5 GHBDMN Cc1cnn(-c2cc[nH+]cc2[N-]C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])c1 ZINC001127451264 884534479 /nfs/dbraw/zinc/53/44/79/884534479.db2.gz QKSCEBNWUWTSDX-UHFFFAOYSA-N 0 1 391.309 3.755 20 5 GHBDMN CC[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)c1nc(C)cs1 ZINC000795826337 912879096 /nfs/dbraw/zinc/87/90/96/912879096.db2.gz ZJKAPXFBQBOSTP-SNVBAGLBSA-N 0 1 393.849 3.582 20 5 GHBDMN O=C(Nc1nccc2c1cccc2[N+](=O)[O-])c1ccc(CN2CCCCC2)o1 ZINC001130764793 885059686 /nfs/dbraw/zinc/05/96/86/885059686.db2.gz QZFLCVKXDXCWAJ-UHFFFAOYSA-N 0 1 380.404 3.974 20 5 GHBDMN CC1(C)C[C@@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C(C)(C)O1 ZINC000537564825 885397718 /nfs/dbraw/zinc/39/77/18/885397718.db2.gz JXXIIYNRAORZSQ-LLVKDONJSA-N 0 1 397.280 3.526 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(OC(F)(F)F)c1 ZINC000032590265 887426722 /nfs/dbraw/zinc/42/67/22/887426722.db2.gz FIABJWRSKJIMNT-UHFFFAOYSA-N 0 1 376.312 3.603 20 5 GHBDMN Cc1cc([N+](=O)[O-])cc(C(=O)N2CC(C)(C)N(Cc3ccccc3)CC2(C)C)n1 ZINC001131759944 887562012 /nfs/dbraw/zinc/56/20/12/887562012.db2.gz RGPAFGQVFWBFCE-UHFFFAOYSA-N 0 1 396.491 3.813 20 5 GHBDMN CCOc1ccc([C@H](C)NCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000809872960 887901651 /nfs/dbraw/zinc/90/16/51/887901651.db2.gz SLQBMQQQLIYDJQ-LBPRGKRZSA-N 0 1 377.828 3.936 20 5 GHBDMN O=C(NC[C@H](c1ccco1)N1CCCC1)Nc1cccc([N+](=O)[O-])c1Cl ZINC000809912494 887934246 /nfs/dbraw/zinc/93/42/46/887934246.db2.gz DWIKJYKEOWQILC-CQSZACIVSA-N 0 1 378.816 3.800 20 5 GHBDMN CC[N@@H+](CCNC(=O)Nc1cccc([N+](=O)[O-])c1Cl)CCC(F)(F)F ZINC000809920092 887970026 /nfs/dbraw/zinc/97/00/26/887970026.db2.gz MRLZCORSUKEMMG-UHFFFAOYSA-N 0 1 382.770 3.644 20 5 GHBDMN CCN(CCNC(=O)Nc1cccc([N+](=O)[O-])c1Cl)CCC(F)(F)F ZINC000809920092 887970028 /nfs/dbraw/zinc/97/00/28/887970028.db2.gz MRLZCORSUKEMMG-UHFFFAOYSA-N 0 1 382.770 3.644 20 5 GHBDMN CCN1CCN(c2cc(N(C)C(=O)C[C@@H](C)CC(C)C)cc([N+](=O)[O-])c2)CC1 ZINC001132279807 888531006 /nfs/dbraw/zinc/53/10/06/888531006.db2.gz SAUUXXIYSXTARC-KRWDZBQOSA-N 0 1 390.528 3.772 20 5 GHBDMN COc1cc(CN[C@H](C)c2ccnn2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000865839808 888603785 /nfs/dbraw/zinc/60/37/85/888603785.db2.gz UBXNABRQAVUTBK-OAHLLOKOSA-N 0 1 396.447 3.767 20 5 GHBDMN COc1cc(CN[C@@H](C)c2ccnn2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000865839807 888604360 /nfs/dbraw/zinc/60/43/60/888604360.db2.gz UBXNABRQAVUTBK-HNNXBMFYSA-N 0 1 396.447 3.767 20 5 GHBDMN CCN(C(=O)c1n[nH]c(C)c1[N+](=O)[O-])[C@@H](c1ccc(C)cc1)c1cccnc1 ZINC000496534440 888880160 /nfs/dbraw/zinc/88/01/60/888880160.db2.gz KAZVVGGTQBZJQY-IBGZPJMESA-N 0 1 379.420 3.581 20 5 GHBDMN CCc1nc([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)n[nH]1 ZINC000496772819 889062450 /nfs/dbraw/zinc/06/24/50/889062450.db2.gz ZJDSCMOPTJVYDE-LBPRGKRZSA-N 0 1 381.392 3.559 20 5 GHBDMN CCS(=O)(=O)c1cc(Cl)cc(CNCc2c(C)ccc([N+](=O)[O-])c2C)c1 ZINC000873131666 891479704 /nfs/dbraw/zinc/47/97/04/891479704.db2.gz WSSVCQCMTBEUTE-UHFFFAOYSA-N 0 1 396.896 3.948 20 5 GHBDMN CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1CNCc1cc([N+](=O)[O-])ccc1Cl ZINC000813789369 891976919 /nfs/dbraw/zinc/97/69/19/891976919.db2.gz QTTFEOXFDAXMQK-JSGCOSHPSA-N 0 1 387.839 3.685 20 5 GHBDMN C[C@@H](N[C@@H](C)c1ccc2c(c1)OCO2)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000192465106 892502007 /nfs/dbraw/zinc/50/20/07/892502007.db2.gz JIBLBNBKWZFSFI-WDEREUQCSA-N 0 1 391.811 3.655 20 5 GHBDMN O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+](CCc2ccccn2)Cc2ccc(F)cc2)c1 ZINC000154511215 892515593 /nfs/dbraw/zinc/51/55/93/892515593.db2.gz QFMAZBSADLBNKV-QFIPXVFZSA-N 0 1 395.434 3.907 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1CN[C@@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC000814657324 893012402 /nfs/dbraw/zinc/01/24/02/893012402.db2.gz ONORROLFIJDKGU-AWEZNQCLSA-N 0 1 385.420 3.801 20 5 GHBDMN Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)cc1F ZINC000918146400 893228804 /nfs/dbraw/zinc/22/88/04/893228804.db2.gz ZYJJFYPAGYOYEE-UHFFFAOYSA-N 0 1 389.202 3.606 20 5 GHBDMN Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@H](C[N@@H+](C)Cc2ccccc2)C(C)C)n1 ZINC000563208187 893481108 /nfs/dbraw/zinc/48/11/08/893481108.db2.gz QMRYFFWUGBHLBS-QGZVFWFLSA-N 0 1 386.452 3.565 20 5 GHBDMN O=C(OCc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccc(-c2nnc[nH]2)cc1 ZINC000815233567 893592986 /nfs/dbraw/zinc/59/29/86/893592986.db2.gz OKILACJIHCDZAH-UHFFFAOYSA-N 0 1 392.293 3.756 20 5 GHBDMN Cc1ccc([C@H](C)NCc2cccc(NC(=O)Cn3cccn3)c2)cc1[N+](=O)[O-] ZINC000129584193 893677621 /nfs/dbraw/zinc/67/76/21/893677621.db2.gz FIYPYOLKTWYGNA-INIZCTEOSA-N 0 1 393.447 3.589 20 5 GHBDMN COc1cc(COC(=O)[C@H]2CCCCN2C2CCCC2)c([N+](=O)[O-])cc1F ZINC000815448031 893848309 /nfs/dbraw/zinc/84/83/09/893848309.db2.gz DLTHQMJPOFXDTP-MRXNPFEDSA-N 0 1 380.416 3.583 20 5 GHBDMN COc1cc(CN2CC3(C2)CCCOC3)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000459603287 893890140 /nfs/dbraw/zinc/89/01/40/893890140.db2.gz HWBOHBXCZBBKFO-UHFFFAOYSA-N 0 1 398.459 3.795 20 5 GHBDMN Cc1nc(NS(=O)(=O)Cc2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-] ZINC000194678099 893894404 /nfs/dbraw/zinc/89/44/04/893894404.db2.gz FRLIJAQTSQDDES-UHFFFAOYSA-N 0 1 376.221 3.547 20 5 GHBDMN COCC1(C)CN(Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000459626302 893924181 /nfs/dbraw/zinc/92/41/81/893924181.db2.gz ZYLZPCFMAAYBEO-UHFFFAOYSA-N 0 1 392.459 3.916 20 5 GHBDMN Cc1ccc(CN[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c(OC[C@@H]2CCCO2)c1 ZINC000815588826 894029679 /nfs/dbraw/zinc/02/96/79/894029679.db2.gz ZZXXQGDYGZNZLK-QAPCUYQASA-N 0 1 385.464 3.894 20 5 GHBDMN COc1cc(CN[C@@H](C)Cn2cccn2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000536899443 894062753 /nfs/dbraw/zinc/06/27/53/894062753.db2.gz DOMZQMYQDGSCOZ-INIZCTEOSA-N 0 1 396.447 3.557 20 5 GHBDMN O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc2oc(CN3CCCC3)nc2c1 ZINC000816763758 895056067 /nfs/dbraw/zinc/05/60/67/895056067.db2.gz BIQOAAKSOAIFFC-UHFFFAOYSA-N 0 1 380.404 3.513 20 5 GHBDMN C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000565038808 895363261 /nfs/dbraw/zinc/36/32/61/895363261.db2.gz SZCOQVALLVBALR-GASCZTMLSA-N 0 1 398.463 3.778 20 5 GHBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1ccc(SC2CC2)cc1 ZINC000565326864 895535649 /nfs/dbraw/zinc/53/56/49/895535649.db2.gz WWLCRLDVINSGSL-UHFFFAOYSA-N 0 1 381.417 3.887 20 5 GHBDMN Cc1ccc(CN2CC[C@H](C)[C@@H](CNC(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC001170880056 895926369 /nfs/dbraw/zinc/92/63/69/895926369.db2.gz AYVLQYCIPGNVSW-YOEHRIQHSA-N 0 1 377.485 3.886 20 5 GHBDMN Cc1ccc(CN2CC[C@H](C)[C@H](CNC(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC001170880053 895927121 /nfs/dbraw/zinc/92/71/21/895927121.db2.gz AYVLQYCIPGNVSW-WMLDXEAASA-N 0 1 377.485 3.886 20 5 GHBDMN O=[N+]([O-])c1ccc(Cl)c(CNC[C@H](O)COCc2ccccc2Cl)c1 ZINC000819151556 896406678 /nfs/dbraw/zinc/40/66/78/896406678.db2.gz ZLXRCPYUXCWKCC-HNNXBMFYSA-N 0 1 385.247 3.569 20 5 GHBDMN CN(C(=O)c1ccncc1)c1ccc(CNCc2ccccc2[N+](=O)[O-])cc1 ZINC000130426141 897082560 /nfs/dbraw/zinc/08/25/60/897082560.db2.gz XBCUATNMMZIPST-UHFFFAOYSA-N 0 1 376.416 3.556 20 5 GHBDMN C/C(=C\c1ccc(Cl)cc1)CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000568141384 897631073 /nfs/dbraw/zinc/63/10/73/897631073.db2.gz GUWHBQGIFBOUJD-WYMLVPIESA-N 0 1 394.880 3.715 20 5 GHBDMN CCO[C@H]1C[C@H](N(C)Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C1(C)C ZINC000570609941 899435798 /nfs/dbraw/zinc/43/57/98/899435798.db2.gz GKBSMUJZTCGVEK-HOTGVXAUSA-N 0 1 388.411 3.840 20 5 GHBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H](c2nncn2C(C)C)C1 ZINC000118859946 899486089 /nfs/dbraw/zinc/48/60/89/899486089.db2.gz WWSYESNFPZBCOJ-MRXNPFEDSA-N 0 1 387.484 3.934 20 5 GHBDMN COc1ccc(C[C@@H]2CCCN([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000570984050 899702085 /nfs/dbraw/zinc/70/20/85/899702085.db2.gz BDZXKHNHMKSRRI-AEFFLSMTSA-N 0 1 397.475 3.885 20 5 GHBDMN COc1ccc(NC(=O)CCN2CCc3cccc(F)c3[C@@H]2C)c([N+](=O)[O-])c1 ZINC000572341653 900149413 /nfs/dbraw/zinc/14/94/13/900149413.db2.gz HDRUYJZAORGSPO-ZDUSSCGKSA-N 0 1 387.411 3.690 20 5 GHBDMN Cc1nc(C2CCN(c3ccc([N+](=O)[O-])c(C(=O)N4CCCC4)c3)CC2)[nH]c1C ZINC000884708113 900243033 /nfs/dbraw/zinc/24/30/33/900243033.db2.gz NGFQVDJLJQSHHK-UHFFFAOYSA-N 0 1 397.479 3.555 20 5 GHBDMN O=[N+]([O-])c1cccc([C@@H](NCc2cccc(-c3nn[nH]n3)c2)c2ccccc2)c1 ZINC000826499324 901299924 /nfs/dbraw/zinc/29/99/24/901299924.db2.gz DXCHZUSBMLELAV-FQEVSTJZSA-N 0 1 386.415 3.654 20 5 GHBDMN Cc1csc([C@@H](NCCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C2CC2)n1 ZINC000130016320 902884847 /nfs/dbraw/zinc/88/48/47/902884847.db2.gz MBPSYYSPFGJSPH-INIZCTEOSA-N 0 1 378.429 3.568 20 5 GHBDMN Cc1cc(N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000577876001 903299703 /nfs/dbraw/zinc/29/97/03/903299703.db2.gz JATNZIDWXZLMLW-AWEZNQCLSA-N 0 1 384.436 3.518 20 5 GHBDMN CC(C)[C@@H](NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1nc(C2CC2)no1 ZINC000772982395 903831618 /nfs/dbraw/zinc/83/16/18/903831618.db2.gz IQMNCHKCBMIZAY-GOSISDBHSA-N 0 1 385.468 3.811 20 5 GHBDMN CCOc1ccc([C@@H](C)NCc2ccccc2CN2CCCC2=O)cc1[N+](=O)[O-] ZINC000152843707 904305898 /nfs/dbraw/zinc/30/58/98/904305898.db2.gz YCKACOVVWMDPJQ-MRXNPFEDSA-N 0 1 397.475 3.967 20 5 GHBDMN Cc1c([C@@H](C)NCc2cccc(NC(=O)[C@H]3CCCO3)c2)cccc1[N+](=O)[O-] ZINC000153397724 904360466 /nfs/dbraw/zinc/36/04/66/904360466.db2.gz RGRUPRHFTLVDSR-FOIQADDNSA-N 0 1 383.448 3.872 20 5 GHBDMN CCOc1ccc([C@@H](C)N[C@@H]2CCN(c3ccc(C)cc3)C2=O)cc1[N+](=O)[O-] ZINC000773015865 904376878 /nfs/dbraw/zinc/37/68/78/904376878.db2.gz OULJDXGSYHFOJF-CRAIPNDOSA-N 0 1 383.448 3.758 20 5 GHBDMN C[C@@]1(Cc2cccc(F)c2)CCCN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001171426080 904577009 /nfs/dbraw/zinc/57/70/09/904577009.db2.gz JORVCSKIQCMSCX-QFIPXVFZSA-N 0 1 397.450 3.720 20 5 GHBDMN CC[C@H]1CN(c2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000579597826 904728160 /nfs/dbraw/zinc/72/81/60/904728160.db2.gz GGQNZEBYYVSBOU-KRWDZBQOSA-N 0 1 383.448 3.702 20 5 GHBDMN O=C(NC[C@@H](c1cccs1)N1CCCC1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000175086639 905445404 /nfs/dbraw/zinc/44/54/04/905445404.db2.gz QXAIKIRWGUUJFH-AWEZNQCLSA-N 0 1 379.869 3.877 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C[C@H](C)NCc2cn(Cc3ccccc3)cn2)c1F ZINC001173178713 906256261 /nfs/dbraw/zinc/25/62/61/906256261.db2.gz HTEPUIXHBPDPOR-HNNXBMFYSA-N 0 1 398.438 3.708 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CCN(C)[C@H](c3ccccc3)C2)c1F ZINC001173190963 906273370 /nfs/dbraw/zinc/27/33/70/906273370.db2.gz YMPIEJNZYWPTSJ-KXBFYZLASA-N 0 1 387.455 3.662 20 5 GHBDMN CCOC[C@@H]1CN([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)Cc2cnn(CC3CC3)c21 ZINC001173223213 906304363 /nfs/dbraw/zinc/30/43/63/906304363.db2.gz AHDCJDCUHRPOAL-JXFKEZNVSA-N 0 1 398.507 3.768 20 5 GHBDMN COc1ccc(C(=O)Nc2nc(-c3ccc(C(C)(C)C)cc3)n[nH]2)cc1[N+](=O)[O-] ZINC000008115521 921244717 /nfs/dbraw/zinc/24/47/17/921244717.db2.gz RMLNLBUTPZTMMT-UHFFFAOYSA-N 0 1 395.419 3.938 20 5 GHBDMN CC(C)[C@H](C(=O)OCc1ccc(Br)c([N+](=O)[O-])c1)N1CCCC1 ZINC000773424873 907283157 /nfs/dbraw/zinc/28/31/57/907283157.db2.gz KZGVMNJBTQBTKN-OAHLLOKOSA-N 0 1 385.258 3.521 20 5 GHBDMN Cc1n[nH]c(C(C)C)c1C(=O)OCc1ccc(Br)c([N+](=O)[O-])c1 ZINC000773469618 907428256 /nfs/dbraw/zinc/42/82/56/907428256.db2.gz NPXYVWMFOAGEDJ-UHFFFAOYSA-N 0 1 382.214 3.869 20 5 GHBDMN CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC001175576515 907642660 /nfs/dbraw/zinc/64/26/60/907642660.db2.gz DWXYVISOZXQBRE-WMLDXEAASA-N 0 1 391.468 3.522 20 5 GHBDMN CC[C@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)c1nc(C(F)(F)F)cs1 ZINC000185982436 907862657 /nfs/dbraw/zinc/86/26/57/907862657.db2.gz VMMAAYIVUCIGGC-NWDGAFQWSA-N 0 1 375.372 3.844 20 5 GHBDMN CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H](O)c1ccccc1C(F)(F)F ZINC001177548288 908638982 /nfs/dbraw/zinc/63/89/82/908638982.db2.gz CVQBRRHFLAOQJF-MRXNPFEDSA-N 0 1 384.354 3.836 20 5 GHBDMN CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H](O)c1cccc(Br)c1 ZINC000801735331 921436910 /nfs/dbraw/zinc/43/69/10/921436910.db2.gz SLXYILSJHYSBTP-MRXNPFEDSA-N 0 1 395.253 3.579 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)ccc1CCNCc1ncc(Br)cc1F ZINC001178326840 909018739 /nfs/dbraw/zinc/01/87/39/909018739.db2.gz RCUUAJCWBHOCQJ-UHFFFAOYSA-N 0 1 388.624 3.877 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N2CCCCC[C@@H]2C[C@H](O)c2ccco2)c1[N+](=O)[O-] ZINC000269841571 910365739 /nfs/dbraw/zinc/36/57/39/910365739.db2.gz VNGYJWNINAHNIO-KGLIPLIRSA-N 0 1 390.440 3.543 20 5 GHBDMN COc1ccc(-c2cc(C(=O)N3CCc4cc(C)c([N+](=O)[O-])cc43)[nH]n2)cc1 ZINC000773995524 911243781 /nfs/dbraw/zinc/24/37/81/911243781.db2.gz XXNLFMLFADSXHM-UHFFFAOYSA-N 0 1 378.388 3.505 20 5 GHBDMN CC(C)Oc1cc(Br)ccc1-c1noc(-c2[nH]cnc2[N+](=O)[O-])n1 ZINC001212892876 911379264 /nfs/dbraw/zinc/37/92/64/911379264.db2.gz AFYPLCQDPOQEDP-UHFFFAOYSA-N 0 1 394.185 3.585 20 5 GHBDMN Cc1cc(NC(=O)CNCc2cccc([N+](=O)[O-])c2C)ccc1Br ZINC001182490427 911840954 /nfs/dbraw/zinc/84/09/54/911840954.db2.gz QNIUNLIPPXPXCO-UHFFFAOYSA-N 0 1 392.253 3.702 20 5 GHBDMN CCOc1cc(CN[C@H](C)c2ccc(S(=O)(=O)CC)cc2)ccc1[N+](=O)[O-] ZINC000284746881 912014858 /nfs/dbraw/zinc/01/48/58/912014858.db2.gz LHEZWFKLFFROTA-CQSZACIVSA-N 0 1 392.477 3.638 20 5 GHBDMN CC[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1OC ZINC000775065438 914918817 /nfs/dbraw/zinc/91/88/17/914918817.db2.gz NSJPWIXXPOSYHC-HNNXBMFYSA-N 0 1 377.828 3.936 20 5 GHBDMN COc1ccc(NC(=O)CN2C[C@H](c3ccccc3C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000303754303 915085446 /nfs/dbraw/zinc/08/54/46/915085446.db2.gz MQMYQCCHNDDWIJ-HZPDHXFCSA-N 0 1 383.448 3.728 20 5 GHBDMN O=C([O-])c1cnc(C2CC[NH+](Cc3ccc([N+](=O)[O-])c(Cl)c3)CC2)s1 ZINC000901935296 921753544 /nfs/dbraw/zinc/75/35/44/921753544.db2.gz YSOZJKIUCORRKD-UHFFFAOYSA-N 0 1 381.841 3.783 20 5 GHBDMN CC(C)(C)OCCCN1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC001187454403 915262108 /nfs/dbraw/zinc/26/21/08/915262108.db2.gz LCXZUIGMNOCGKS-UHFFFAOYSA-N 0 1 389.418 3.941 20 5 GHBDMN CCOc1ccc2c(c1)c(=N)c1ccc(N)cc1n2C(=O)C1(C(=O)C2CC2)CC1 ZINC001187651237 915450509 /nfs/dbraw/zinc/45/05/09/915450509.db2.gz AMMZTKOSBGIRJJ-UHFFFAOYSA-N 0 1 389.455 3.654 20 5 GHBDMN Cc1ccc(-c2n[nH]c(S[C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])n2)cc1 ZINC000005867726 915997460 /nfs/dbraw/zinc/99/74/60/915997460.db2.gz RDJGPKMOJGUVTK-GFCCVEGCSA-N 0 1 383.433 3.808 20 5 GHBDMN Cc1nc2ccc(NS(=O)(=O)c3cc([N+](=O)[O-])cc(C)c3C)cc2s1 ZINC000007325610 919062126 /nfs/dbraw/zinc/06/21/26/919062126.db2.gz WWBCIORVUZTKHX-UHFFFAOYSA-N 0 1 377.447 3.931 20 5 GHBDMN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CC=C(c2ccc(F)cc2)CC1 ZINC000117334305 919537249 /nfs/dbraw/zinc/53/72/49/919537249.db2.gz GTLGTIYHXGNUBZ-UHFFFAOYSA-N 0 1 397.406 3.821 20 5 GHBDMN CN(CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Cc1nc2ccccc2s1 ZINC000117334148 919537953 /nfs/dbraw/zinc/53/79/53/919537953.db2.gz PTQYQUXMJUZUIS-UHFFFAOYSA-N 0 1 398.444 3.635 20 5 GHBDMN CC[C@@H](CSc1ccccc1[N+](=O)[O-])NCc1nc(CN(C)C)cs1 ZINC000903223267 922868401 /nfs/dbraw/zinc/86/84/01/922868401.db2.gz ZMUJLJDGGKJCOE-ZDUSSCGKSA-N 0 1 380.539 3.773 20 5 GHBDMN COc1ccc2c(c1)OCC[C@H]2NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000369672442 923534302 /nfs/dbraw/zinc/53/43/02/923534302.db2.gz OAFLAHFHILCHDN-LJQANCHMSA-N 0 1 394.431 3.617 20 5 GHBDMN C[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000410224119 925431281 /nfs/dbraw/zinc/43/12/81/925431281.db2.gz KEWOSOMPXJPYAF-QWRGUYRKSA-N 0 1 393.346 3.594 20 5 GHBDMN O=C(Nc1cnn(-c2ccncc2)c1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000681982951 925971749 /nfs/dbraw/zinc/97/17/49/925971749.db2.gz CYKBEZNZBKCWNZ-UHFFFAOYSA-N 0 1 381.395 3.514 20 5 GHBDMN C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1c(F)cccc1F ZINC000725825420 926459171 /nfs/dbraw/zinc/45/91/71/926459171.db2.gz BRLWKYZQFVFFRD-MRVPVSSYSA-N 0 1 376.768 3.566 20 5 GHBDMN Cc1nn(CN2CCC[C@@H]2Cc2ccccc2Cl)c2ncc([N+](=O)[O-])cc12 ZINC000749945452 927362749 /nfs/dbraw/zinc/36/27/49/927362749.db2.gz OIVIXYHVKZAIEH-OAHLLOKOSA-N 0 1 385.855 3.966 20 5 GHBDMN COc1ccccc1[C@H](CNc1ncc([N+](=O)[O-])cc1C(F)(F)F)N(C)C ZINC000413027186 928118623 /nfs/dbraw/zinc/11/86/23/928118623.db2.gz LNBUBOTWOTYDDD-AWEZNQCLSA-N 0 1 384.358 3.732 20 5 GHBDMN Cc1cc(Cl)c(S(=O)(=O)Nc2ccc(N3CCCC3)cc2)cc1[N+](=O)[O-] ZINC000752195165 928675834 /nfs/dbraw/zinc/67/58/34/928675834.db2.gz JDJCNLOSENNVML-UHFFFAOYSA-N 0 1 395.868 3.958 20 5 GHBDMN CC(C)(C)[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000544070846 928765226 /nfs/dbraw/zinc/76/52/26/928765226.db2.gz KYPOTHYYMXLLBL-SFHVURJKSA-N 0 1 394.468 3.885 20 5 GHBDMN COc1cccc([C@H]2C[C@H](C)CN2CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1 ZINC000544117277 928827216 /nfs/dbraw/zinc/82/72/16/928827216.db2.gz NJFYALRWPTXTDY-MGPUTAFESA-N 0 1 395.459 3.576 20 5 GHBDMN C[C@@H]1C[C@@H](c2ccccc2)CN1CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000752794132 929025802 /nfs/dbraw/zinc/02/58/02/929025802.db2.gz VPFXDZBEWOSJLI-SJLPKXTDSA-N 0 1 380.448 3.672 20 5 GHBDMN CCO[C@H](CCNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000467783673 929409430 /nfs/dbraw/zinc/40/94/30/929409430.db2.gz GDYJBRTWTMEYIN-CYBMUJFWSA-N 0 1 399.296 3.631 20 5 GHBDMN CC[C@@H]1CN(Cc2ccc(OC)c([N+](=O)[O-])c2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000757111319 929651006 /nfs/dbraw/zinc/65/10/06/929651006.db2.gz VOMBLYQYTMGZGZ-HZPDHXFCSA-N 0 1 393.484 3.729 20 5 GHBDMN O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000469524064 929966027 /nfs/dbraw/zinc/96/60/27/929966027.db2.gz UBDWFDVLUFBPCW-SFHVURJKSA-N 0 1 389.839 3.521 20 5 GHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[C@H]1COc1ccc(Cl)cc1 ZINC000780361372 930499463 /nfs/dbraw/zinc/49/94/63/930499463.db2.gz HYCGSTNKXJYFRL-AWEZNQCLSA-N 0 1 376.796 3.637 20 5 GHBDMN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](c2cccc(C(F)(F)F)c2)N(C)C)c1 ZINC000470604354 930746568 /nfs/dbraw/zinc/74/65/68/930746568.db2.gz BSKOYWZXXFTVJK-QGZVFWFLSA-N 0 1 395.381 3.955 20 5 GHBDMN O=C(O[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000781802315 930987995 /nfs/dbraw/zinc/98/79/95/930987995.db2.gz YLUJQOYOYIITPS-OAHLLOKOSA-N 0 1 392.358 3.628 20 5 GHBDMN Cc1ccc([C@H]2C[C@@H](C)[N@H+](Cn3cc([N+](=O)[O-])c(-c4ccncc4)n3)C2)cc1 ZINC000782955971 931374539 /nfs/dbraw/zinc/37/45/39/931374539.db2.gz SWFFYYANTXMPLO-APWZRJJASA-N 0 1 377.448 3.997 20 5 GHBDMN Cc1ccc([C@H]2C[C@@H](C)N(Cn3cc([N+](=O)[O-])c(-c4ccncc4)n3)C2)cc1 ZINC000782955971 931374549 /nfs/dbraw/zinc/37/45/49/931374549.db2.gz SWFFYYANTXMPLO-APWZRJJASA-N 0 1 377.448 3.997 20 5 GHBDMN C/C(=C\C(=O)NC[C@H](C)N1CCc2sccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000783895276 931707076 /nfs/dbraw/zinc/70/70/76/931707076.db2.gz YPGORIPUYVBILZ-GOFCXVBSSA-N 0 1 385.489 3.623 20 5 GHBDMN C/C(=C\C(=O)NC[C@H](C)N1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000783895751 931708101 /nfs/dbraw/zinc/70/81/01/931708101.db2.gz KOXQHCQOMPNGDJ-MAUBAPBLSA-N 0 1 379.460 3.561 20 5 GHBDMN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(Cc3cc(F)ccc3[N+](=O)[O-])C[C@H]21 ZINC000784531217 931927221 /nfs/dbraw/zinc/92/72/21/931927221.db2.gz ZZOHOUXSAQGWAD-KBRIMQKVSA-N 0 1 393.459 3.859 20 5 GHBDMN CC[C@@H]1C[N@@H+](C)CCN1c1ccc(C(=O)Nc2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000558980466 932352668 /nfs/dbraw/zinc/35/26/68/932352668.db2.gz ZMTJKWYCPDTZKA-GOSISDBHSA-N 0 1 382.464 3.686 20 5 GHBDMN CC[C@@H]1CN(C)CCN1c1ccc(C(=O)Nc2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000558980466 932352677 /nfs/dbraw/zinc/35/26/77/932352677.db2.gz ZMTJKWYCPDTZKA-GOSISDBHSA-N 0 1 382.464 3.686 20 5 GHBDMN COc1cc(CN2CC[C@@H](c3ccccn3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000798965405 932843147 /nfs/dbraw/zinc/84/31/47/932843147.db2.gz RRZAYODAMYEZAF-CYBMUJFWSA-N 0 1 393.390 3.632 20 5 GHBDMN CN(CCCOCc1ccccc1)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000799163565 932894524 /nfs/dbraw/zinc/89/45/24/932894524.db2.gz RHBNTECJGTVNIN-UHFFFAOYSA-N 0 1 380.448 3.955 20 5 GHBDMN CSc1ccc(C(=O)N2CCCN(Cc3ccc(C)cc3)CC2)cc1[N+](=O)[O-] ZINC001115821431 933212308 /nfs/dbraw/zinc/21/23/08/933212308.db2.gz QMGHZSOUYMOFHJ-UHFFFAOYSA-N 0 1 399.516 3.973 20 5 GHBDMN CC(=C(O)Nc1nc(-c2cccc(Cl)c2)ns1)c1cccc([N+](=O)[O-])c1 ZINC000562400450 934851746 /nfs/dbraw/zinc/85/17/46/934851746.db2.gz YQNMLLIQPAEQLZ-SNVBAGLBSA-N 0 1 388.836 3.931 20 5 GHBDMN CN(CCN1CC2(C1)CCOCC2)C(=O)c1cc2ccccc2c2cccnc12 ZINC000829281018 935788941 /nfs/dbraw/zinc/78/89/41/935788941.db2.gz VIVUSNNTNPNKKB-UHFFFAOYSA-N 0 1 389.499 3.572 20 5 GHBDMN CN(c1ccc2ncccc2c1[N+](=O)[O-])C1CCN(CCC(F)(F)F)CC1 ZINC000829572846 935829223 /nfs/dbraw/zinc/82/92/23/935829223.db2.gz ZQSLSTQPIINOLH-UHFFFAOYSA-N 0 1 382.386 3.996 20 5 GHBDMN Cc1cc([N+](=O)[O-])c(F)c(C(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)c1F ZINC000830010704 935890322 /nfs/dbraw/zinc/89/03/22/935890322.db2.gz YSBHVEUARKCNRH-UKRRQHHQSA-N 0 1 389.402 3.574 20 5 GHBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2C[C@@H](C(=O)[O-])CC[C@@H]2C)cc1OC ZINC001589459045 954857856 /nfs/dbraw/zinc/85/78/56/954857856.db2.gz SXQSMKSWKJHYRI-KKUMJFAQSA-N 0 1 394.468 3.713 20 5 GHBDMN O=C(NCc1ccc(-c2ccc3c(c2)CCO3)cc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC001625984656 1014636230 /nfs/dbraw/zinc/63/62/30/1014636230.db2.gz HTQASTVIPYMCNF-UHFFFAOYSA-N 0 1 390.395 3.832 20 5 GHBDMN CC[C@@](C)(C(=O)[O-])[N@H+](Cc1cc([N+](=O)[O-])ccc1Br)CC1CC1 ZINC001594788175 981834298 /nfs/dbraw/zinc/83/42/98/981834298.db2.gz UESJVJAWGVWERF-INIZCTEOSA-N 0 1 385.258 3.823 20 5 GHBDMN CC(C)N(Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001591596782 992824966 /nfs/dbraw/zinc/82/49/66/992824966.db2.gz PKBKPLAOHGGKTH-HXUWFJFHSA-N 0 1 397.475 3.778 20 5 GHBDMN C[N@H+]1CC[C@H](Nc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])[C@@H]1c1ccc(F)cc1 ZINC001598585974 993383411 /nfs/dbraw/zinc/38/34/11/993383411.db2.gz MXRXVZSVYBQBCO-TUUMFTSESA-N 0 1 385.395 3.689 20 5 GHBDMN C[C@H]([NH2+][C@H](C(=O)[O-])c1ccccc1Br)c1cccc([N+](=O)[O-])c1 ZINC001593194366 994134472 /nfs/dbraw/zinc/13/44/72/994134472.db2.gz FZOGEFPBIMSPEG-BONVTDFDSA-N 0 1 379.210 3.834 20 5 GHBDMN C[C@@H](c1cccc(Cl)c1)[N@@H+](C)Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001593699703 996171868 /nfs/dbraw/zinc/17/18/68/996171868.db2.gz WJJIZYBEQHLJHC-LBPRGKRZSA-N 0 1 378.812 3.905 20 5 GHBDMN C[C@@H]1CN(Cc2ccc(-c3nc(-c4ccc([N+](=O)[O-])cc4)no3)cc2)C[C@@H](C)O1 ZINC000545552624 1016027172 /nfs/dbraw/zinc/02/71/72/1016027172.db2.gz OUULBGYMQPRIQI-HUUCEWRRSA-N 0 1 394.431 3.921 20 5 GHBDMN COc1cc(Cc2noc(-c3cc(-c4cccs4)n[nH]3)n2)ccc1[N+](=O)[O-] ZINC000546491373 1016643860 /nfs/dbraw/zinc/64/38/60/1016643860.db2.gz BZAWOSGHFCYUMW-UHFFFAOYSA-N 0 1 383.389 3.696 20 5 GHBDMN COc1c(F)c(F)ccc1-c1noc(-c2cc(-c3cccc([N+](=O)[O-])c3)n[nH]2)n1 ZINC001212995224 1032277769 /nfs/dbraw/zinc/27/77/69/1032277769.db2.gz PIFLKCNIOBGBNS-UHFFFAOYSA-N 0 1 399.313 3.989 20 5 GHBDMN COCOc1ccccc1-c1noc(-c2cc(-c3cccc([N+](=O)[O-])c3)n[nH]2)n1 ZINC001212995444 1032289391 /nfs/dbraw/zinc/28/93/91/1032289391.db2.gz ZUKLCKOCHYDOJY-UHFFFAOYSA-N 0 1 393.359 3.685 20 5 GHBDMN C[C@@H](c1ccccn1)[N@H+]1CCC[C@@H](Oc2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC001227219524 1032327725 /nfs/dbraw/zinc/32/77/25/1032327725.db2.gz HZTWWCMKFBGHEF-GOEBONIOSA-N 0 1 394.431 3.848 20 5 GHBDMN C[C@@H](c1ccccn1)N1CCC[C@@H](Oc2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC001227219524 1032327735 /nfs/dbraw/zinc/32/77/35/1032327735.db2.gz HZTWWCMKFBGHEF-GOEBONIOSA-N 0 1 394.431 3.848 20 5 GHBDMN CO[C@H](CN1CCN(c2ccc3c(cccc3[N+](=O)[O-])n2)CC1)c1ccccc1 ZINC001155715663 1032659043 /nfs/dbraw/zinc/65/90/43/1032659043.db2.gz LEAWXUDQIWQIRS-OAQYLSRUSA-N 0 1 392.459 3.653 20 5 GHBDMN CO[C@H](CN1CCN(c2nccc3ccc([N+](=O)[O-])cc32)CC1)c1ccccc1 ZINC001155719811 1032662039 /nfs/dbraw/zinc/66/20/39/1032662039.db2.gz QUDHMLRRNATVOC-OAQYLSRUSA-N 0 1 392.459 3.653 20 5 GHBDMN C[C@H](CNc1ncnc2sc([N+](=O)[O-])cc21)N1CCc2sccc2C1 ZINC000561142227 1017802622 /nfs/dbraw/zinc/80/26/22/1017802622.db2.gz SIAPEWYYURLVCI-SNVBAGLBSA-N 0 1 375.479 3.520 20 5 GHBDMN COc1ccccc1NC(=O)[C@H]1CCCN(Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000932636393 1018547378 /nfs/dbraw/zinc/54/73/78/1018547378.db2.gz VWKMEWKQEMNZET-HNNXBMFYSA-N 0 1 387.411 3.593 20 5 GHBDMN O=C(Nc1cc(=O)[nH]c(Cl)n1)c1cc(=S)cc2[nH]c3ccccc3nc1-2 ZINC001155989500 1032824195 /nfs/dbraw/zinc/82/41/95/1032824195.db2.gz AEWDLPBFRVYDIQ-UHFFFAOYSA-N 0 1 383.820 3.798 20 5 GHBDMN CC(C)(C)OC(=O)N1CC=C(CNCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000189481185 1020451132 /nfs/dbraw/zinc/45/11/32/1020451132.db2.gz MFNMMXJRDVXODJ-UHFFFAOYSA-N 0 1 381.860 3.905 20 5 GHBDMN CC(C)(C)OC(=O)N1CCC[C@@H](CCN2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000801935944 1021456541 /nfs/dbraw/zinc/45/65/41/1021456541.db2.gz HFWSCLPQXMAYAG-INIZCTEOSA-N 0 1 389.496 3.990 20 5 GHBDMN C[C@@H](N[C@H](CCO)c1cccc(C(F)(F)F)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834879910 1021606261 /nfs/dbraw/zinc/60/62/61/1021606261.db2.gz YGPBIJVQDFKHBV-BDJLRTHQSA-N 0 1 383.370 3.970 20 5 GHBDMN Cc1ccc2nc([C@@H]3CCCN(c4ccc([N+](=O)[O-])c5nonc54)C3)[nH]c2c1 ZINC000754076031 1022464804 /nfs/dbraw/zinc/46/48/04/1022464804.db2.gz SMDSYKFUTHMQNX-GFCCVEGCSA-N 0 1 378.392 3.700 20 5 GHBDMN CCN(CCNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)CCC(F)(F)F ZINC000755212707 1023130874 /nfs/dbraw/zinc/13/08/74/1023130874.db2.gz QDXSJWZSVUMIKW-UHFFFAOYSA-N 0 1 382.770 3.644 20 5 GHBDMN CSc1cccc([C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])c2ccc(F)c(F)c2)c1 ZINC000839689833 1026205679 /nfs/dbraw/zinc/20/56/79/1026205679.db2.gz AWIPZPCTYUSMGA-XYPHTWIQSA-N 0 1 378.400 3.558 20 5 GHBDMN Cc1cc(N2c3ccccc3C[C@@H]2CNC(=O)C(F)(F)F)c(F)cc1[N+](=O)[O-] ZINC001163545247 1026230911 /nfs/dbraw/zinc/23/09/11/1026230911.db2.gz LUEBNYBHIONXBD-GFCCVEGCSA-N 0 1 397.328 3.784 20 5 GHBDMN O=C([O-])c1ccc(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)cc1[N+](=O)[O-] ZINC001164499473 1026535717 /nfs/dbraw/zinc/53/57/17/1026535717.db2.gz QYWNGRRRPBVHHE-AYOQOUSVSA-N 0 1 381.432 3.616 20 5 GHBDMN O=C([O-])c1ccc(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1[N+](=O)[O-] ZINC001164499474 1026536772 /nfs/dbraw/zinc/53/67/72/1026536772.db2.gz QYWNGRRRPBVHHE-KFKAGJAMSA-N 0 1 381.432 3.616 20 5 GHBDMN CCOc1ccc(C(=O)Nc2ccccc2Nc2ccncc2)cc1[N+](=O)[O-] ZINC001139684299 1026538606 /nfs/dbraw/zinc/53/86/06/1026538606.db2.gz OEBXTXBLILZGON-UHFFFAOYSA-N 0 1 378.388 3.806 20 5 GHBDMN CC[C@H](NS(=O)(=O)c1onc(C2CC2)c1Cl)c1cccc([N+](=O)[O-])c1 ZINC001211383237 1027932760 /nfs/dbraw/zinc/93/27/60/1027932760.db2.gz RLKHTQFADUGRLF-LBPRGKRZSA-N 0 1 385.829 3.543 20 5 GHBDMN O=[N+]([O-])c1c(F)cccc1-c1nc(-c2ncccc2/C=C/N2CCCC2)no1 ZINC001216517781 1029669862 /nfs/dbraw/zinc/66/98/62/1029669862.db2.gz HFJJVNCQXPMQAM-XYOKQWHBSA-N 0 1 381.367 3.912 20 5 GHBDMN Cc1cc(-c2nc(-c3ccc(N4CCN(C)CC4)cc3)no2)cc([N+](=O)[O-])c1C ZINC001217097332 1030159716 /nfs/dbraw/zinc/15/97/16/1030159716.db2.gz SLMFYWLXCPOJDI-UHFFFAOYSA-N 0 1 393.447 3.680 20 5 GHBDMN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001217146906 1030196469 /nfs/dbraw/zinc/19/64/69/1030196469.db2.gz JLAJOZWSFAENBX-DOTOQJQBSA-N 0 1 398.463 3.951 20 5 GHBDMN Cc1ccc(C(=O)c2cc([O-])c(O[C@@H]3CCC34CC[NH2+]CC4)c([N+](=O)[O-])c2)cc1 ZINC001218083545 1030762295 /nfs/dbraw/zinc/76/22/95/1030762295.db2.gz ROGKMMBVDFWASM-LJQANCHMSA-N 0 1 396.443 3.751 20 5 GHBDMN C[C@H](C(=O)N1CCc2nc[nH]c2[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC001151237193 1030818026 /nfs/dbraw/zinc/81/80/26/1030818026.db2.gz QTHJMLLXMUYPML-RBZFPXEDSA-N 0 1 394.406 3.735 20 5 GHBDMN Cn1ncc2cc(NC(=O)[C@@H](N)Cc3c4ccccc4cc4ccccc43)cnc21 ZINC001218614656 1031005153 /nfs/dbraw/zinc/00/51/53/1031005153.db2.gz HHPUDKYBKIXDCL-QFIPXVFZSA-N 0 1 395.466 3.783 20 5 GHBDMN C[C@H](CN1CCC(C)CC1)NC(=O)c1ccc2oc3ccccc3c(=O)c2c1 ZINC001153427058 1031585800 /nfs/dbraw/zinc/58/58/00/1031585800.db2.gz QLYLKZFXRQBHEK-MRXNPFEDSA-N 0 1 378.472 3.796 20 5 GHBDMN O=[N+]([O-])c1cccc(OC[C@@H]2CN(Cc3ccccc3)CCCO2)c1Cl ZINC001225789723 1031606190 /nfs/dbraw/zinc/60/61/90/1031606190.db2.gz WEVMKZOAINLLPT-INIZCTEOSA-N 0 1 376.840 3.918 20 5 GHBDMN COc1ccc2c(c1NC(=O)c1cc(-c3ccc([N+](=O)[O-])cc3)n[nH]1)CCC2 ZINC001154234055 1031995955 /nfs/dbraw/zinc/99/59/55/1031995955.db2.gz GHKQPMFLTDNONJ-UHFFFAOYSA-N 0 1 378.388 3.735 20 5 GHBDMN CCN1CC[C@H](Oc2ccc3c(c2)occ(-c2ccc([N+](=O)[O-])cc2)c3=O)C1 ZINC001229267815 1033380860 /nfs/dbraw/zinc/38/08/60/1033380860.db2.gz TUMPVFPMWXGLBN-KRWDZBQOSA-N 0 1 380.400 3.841 20 5 GHBDMN C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1Oc1n[nH]c(=O)c2ccc([N+](=O)[O-])cc21 ZINC001229361887 1033438472 /nfs/dbraw/zinc/43/84/72/1033438472.db2.gz PPAOHFZYPYWZAQ-KUHUBIRLSA-N 0 1 394.431 3.533 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2cc(-c3nc(-c4cnc5c(c4)CCCC5)no3)[nH]n2)cc1 ZINC001213008295 1033573320 /nfs/dbraw/zinc/57/33/20/1033573320.db2.gz DJCZCUAGEJGJSV-UHFFFAOYSA-N 0 1 388.387 3.976 20 5 GHBDMN CCCSc1nc(O[C@H](c2cccnc2)C(F)(F)F)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229791900 1033717486 /nfs/dbraw/zinc/71/74/86/1033717486.db2.gz OVJGLRGVHQJABC-SNVBAGLBSA-N 0 1 390.343 3.670 20 5 GHBDMN C[C@H]1CN(C(=O)OC(C)(C)C)CCC[C@@H]1Oc1cc2[nH]ncc2cc1[N+](=O)[O-] ZINC001230595701 1034139612 /nfs/dbraw/zinc/13/96/12/1034139612.db2.gz MWPPUDYJVZUELP-LRDDRELGSA-N 0 1 390.440 3.886 20 5 GHBDMN C[C@H](Oc1cc2[nH]ncc2cc1[N+](=O)[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001230596866 1034140038 /nfs/dbraw/zinc/14/00/38/1034140038.db2.gz VTMYNQUYAUBRCK-LBPRGKRZSA-N 0 1 390.440 3.886 20 5 GHBDMN C[C@@H]1CC[C@@H](Oc2cc3[nH]ncc3cc2[N+](=O)[O-])CN1C(=O)OC(C)(C)C ZINC001230600568 1034141233 /nfs/dbraw/zinc/14/12/33/1034141233.db2.gz HPYGMGVUDVYIRC-DGCLKSJQSA-N 0 1 376.413 3.638 20 5 GHBDMN O=C(Nc1n[nH]c2nc(C(F)(F)F)ccc12)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001159611164 1034688290 /nfs/dbraw/zinc/68/82/90/1034688290.db2.gz WDLYZZDWOLGSIA-NEPJUHHUSA-N 0 1 391.309 3.627 20 5 GHBDMN CSc1ccc(C=CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)s1 ZINC001160727814 1035044816 /nfs/dbraw/zinc/04/48/16/1035044816.db2.gz XVAWJZZPTCZFDR-FNORWQNLSA-N 0 1 387.446 3.815 20 5 GHBDMN CC(C)(C)C(=O)CN1CCC(Nc2ccc(-c3ccccc3[N+](=O)[O-])nn2)CC1 ZINC001161124930 1035149641 /nfs/dbraw/zinc/14/96/41/1035149641.db2.gz MXGBDLQBMWTUHP-UHFFFAOYSA-N 0 1 397.479 3.543 20 5 GHBDMN C[C@@H]1CN(Cc2ccc3ccc4cccnc4c3n2)CC[C@]1(O)C(F)(F)F ZINC001232217878 1035166984 /nfs/dbraw/zinc/16/69/84/1035166984.db2.gz BAPILASLRGNKKR-BFUOFWGJSA-N 0 1 375.394 3.918 20 5 GHBDMN C[C@]1(c2ccccc2)CC[C@@H](N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)C1 ZINC001462275877 1070138079 /nfs/dbraw/zinc/13/80/79/1070138079.db2.gz NESYVBKMQGLGIS-XXBNENTESA-N 0 1 393.487 3.863 20 5 GHBDMN CN(C)c1ccc(-c2nnc(-c3cc(-c4ccc([N+](=O)[O-])cc4)n[nH]3)o2)cc1 ZINC001252347806 1038949225 /nfs/dbraw/zinc/94/92/25/1038949225.db2.gz SDDWNMOOGRUUSR-UHFFFAOYSA-N 0 1 376.376 3.768 20 5 GHBDMN O=C(Nc1c2c(ccc1F)OCO2)c1sc(Br)cc1[N+](=O)[O-] ZINC001462341165 1070184589 /nfs/dbraw/zinc/18/45/89/1070184589.db2.gz NQFOYUBKDPLBHN-UHFFFAOYSA-N 0 1 389.158 3.539 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(CN[C@H](CO)CC(F)(F)F)o1 ZINC001253671589 1039760979 /nfs/dbraw/zinc/76/09/79/1039760979.db2.gz NLNMYTWWRWNEGP-JTQLQIEISA-N 0 1 378.734 3.911 20 5 GHBDMN C[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccc(Cl)c(F)c1 ZINC001253913334 1039897450 /nfs/dbraw/zinc/89/74/50/1039897450.db2.gz QGULZGUAOPMCRI-MRVPVSSYSA-N 0 1 376.768 3.566 20 5 GHBDMN COC(=O)c1ccccc1S(=O)(=O)Nc1ccc2nc3ccccc3cc2c1 ZINC001254044668 1039972616 /nfs/dbraw/zinc/97/26/16/1039972616.db2.gz FKJNJDVQFAQFJF-UHFFFAOYSA-N 0 1 392.436 3.975 20 5 GHBDMN C[C@@H](Cc1ccccc1[N+](=O)[O-])NCC(=O)c1cccc(Br)c1 ZINC001254531268 1040301684 /nfs/dbraw/zinc/30/16/84/1040301684.db2.gz CWTFVIUFODMOCI-LBPRGKRZSA-N 0 1 377.238 3.761 20 5 GHBDMN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC001254550607 1040318155 /nfs/dbraw/zinc/31/81/55/1040318155.db2.gz NCDHNGRBEHPUKG-WBVHZDCISA-N 0 1 377.485 3.905 20 5 GHBDMN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC001254550784 1040318827 /nfs/dbraw/zinc/31/88/27/1040318827.db2.gz QXBHSAQGCQILEZ-CVEARBPZSA-N 0 1 377.485 3.857 20 5 GHBDMN CC(C)(C)OC(=O)N1CCC[C@@]2(CCN2[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254594342 1040367607 /nfs/dbraw/zinc/36/76/07/1040367607.db2.gz QBDVBAWNZWLKGH-GHTZIAJQSA-N 0 1 387.480 3.537 20 5 GHBDMN C[C@H]1CN(CCc2nnc(-c3cc4c(cccc4[N+](=O)[O-])s3)o2)C[C@H](C)O1 ZINC001258037443 1044365493 /nfs/dbraw/zinc/36/54/93/1044365493.db2.gz XKWZNTVUZQAXHL-RYUDHWBXSA-N 0 1 388.449 3.511 20 5 GHBDMN CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC2(C)CC2)C[C@H]1C ZINC001296145110 1045263431 /nfs/dbraw/zinc/26/34/31/1045263431.db2.gz DAPSBHHHWIWUJV-MRXNPFEDSA-N 0 1 398.511 3.574 20 5 GHBDMN COc1ccc2nc([C@@H](C)NC(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)[nH]c2c1 ZINC001296768973 1045369760 /nfs/dbraw/zinc/36/97/60/1045369760.db2.gz SYSJXEGYYTYHCC-WDEREUQCSA-N 0 1 386.383 3.600 20 5 GHBDMN COc1ccc2nc([C@@H](C)NC(=O)c3cc(Cl)c(C)cc3[N+](=O)[O-])[nH]c2c1 ZINC001296779697 1045371975 /nfs/dbraw/zinc/37/19/75/1045371975.db2.gz USKNVFOMGKDMRO-SNVBAGLBSA-N 0 1 388.811 3.933 20 5 GHBDMN COc1nc2ccc(NC(=O)c3cc(-c4ccc([N+](=O)[O-])cc4)n[nH]3)cc2s1 ZINC001297046747 1045434516 /nfs/dbraw/zinc/43/45/16/1045434516.db2.gz HLQBRJRYNBBXBT-UHFFFAOYSA-N 0 1 395.400 3.856 20 5 GHBDMN O=C1COc2cc3[nH]c(-c4ccc(-c5ccccc5[N+](=O)[O-])o4)nc3cc2N1 ZINC000587264134 1047007239 /nfs/dbraw/zinc/00/72/39/1047007239.db2.gz CBIBUYSDVFRVBZ-UHFFFAOYSA-N 0 1 376.328 3.729 20 5 GHBDMN CCOC(=O)c1[nH]nc(NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)c1C ZINC001304110462 1047589216 /nfs/dbraw/zinc/58/92/16/1047589216.db2.gz JELRTWYNVYQHAB-UHFFFAOYSA-N 0 1 392.437 3.556 20 5 GHBDMN O=[N+]([O-])c1c(N2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)cccc1C(F)(F)F ZINC001307080706 1049059778 /nfs/dbraw/zinc/05/97/78/1049059778.db2.gz CPKVXPQYOIPFSY-LLVKDONJSA-N 0 1 381.358 3.993 20 5 GHBDMN O=[N+]([O-])c1c(N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)cccc1C(F)(F)F ZINC001307080706 1049059790 /nfs/dbraw/zinc/05/97/90/1049059790.db2.gz CPKVXPQYOIPFSY-LLVKDONJSA-N 0 1 381.358 3.993 20 5 GHBDMN CC(C)[C@]1(C(=O)[O-])CC[N@@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000901467426 1049065760 /nfs/dbraw/zinc/06/57/60/1049065760.db2.gz INDJEUQWDYHXMF-FQEVSTJZSA-N 0 1 375.469 3.518 20 5 GHBDMN COc1ccc2ncc([N+](=O)[O-])c(N3CCN(Cc4ccccc4)[C@@H](C)C3)c2c1 ZINC001307140783 1049099499 /nfs/dbraw/zinc/09/94/99/1049099499.db2.gz HNOXEENLJHCTDG-INIZCTEOSA-N 0 1 392.459 3.862 20 5 GHBDMN CC[C@@H](NCC(=O)N(C)CCOc1cc(C)cc(C)c1)c1cccc([N+](=O)[O-])c1 ZINC001307633971 1049463850 /nfs/dbraw/zinc/46/38/50/1049463850.db2.gz SHSBIBNULGOSRX-OAQYLSRUSA-N 0 1 399.491 3.790 20 5 GHBDMN O=[N+]([O-])c1ccccc1OCCN(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC001307651780 1049478957 /nfs/dbraw/zinc/47/89/57/1049478957.db2.gz CKWQURBPQDOHLY-UHFFFAOYSA-N 0 1 385.247 3.775 20 5 GHBDMN C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001307817871 1049613426 /nfs/dbraw/zinc/61/34/26/1049613426.db2.gz NAPQIBDRXIKLKX-UKRRQHHQSA-N 0 1 381.448 3.717 20 5 GHBDMN Cc1ccc(CN2CCCN(C(=O)c3c(Cl)cccc3[N+](=O)[O-])CC2)cc1 ZINC001290509261 1049863007 /nfs/dbraw/zinc/86/30/07/1049863007.db2.gz SBOKSQNZVWIEPX-UHFFFAOYSA-N 0 1 387.867 3.905 20 5 GHBDMN O=[N+]([O-])c1ccccc1CN1CCC[C@](O)(c2ccc(Br)cc2)C1 ZINC001308129991 1049873943 /nfs/dbraw/zinc/87/39/43/1049873943.db2.gz XEFLRGJGZMZTSO-GOSISDBHSA-N 0 1 391.265 3.841 20 5 GHBDMN C[C@@H](CNCc1cn(-c2ccc(F)cc2Cl)nn1)c1ccccc1[N+](=O)[O-] ZINC001308535225 1050001470 /nfs/dbraw/zinc/00/14/70/1050001470.db2.gz NNRCZPIYFNMXJH-LBPRGKRZSA-N 0 1 389.818 3.861 20 5 GHBDMN CCOc1cc(NC(=O)NC[C@H](c2ccc(F)cc2)N(C)C)ccc1[N+](=O)[O-] ZINC001310944395 1051722084 /nfs/dbraw/zinc/72/20/84/1051722084.db2.gz DRVZDRIZCYJFGP-QGZVFWFLSA-N 0 1 390.415 3.557 20 5 GHBDMN O=[N+]([O-])c1cc(CN2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c2c(c1)COCO2 ZINC001335030012 1052026615 /nfs/dbraw/zinc/02/66/15/1052026615.db2.gz CRCJUDKHNXFCPS-CQSZACIVSA-N 0 1 394.431 3.717 20 5 GHBDMN O=C(Nc1nc(-c2cccc(Cl)c2)n[nH]1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC001318237590 1054517445 /nfs/dbraw/zinc/51/74/45/1054517445.db2.gz WUSBPAYSXIWRGG-UHFFFAOYSA-N 0 1 398.810 3.860 20 5 GHBDMN COC[C@](C)(CC(=O)OC)NCc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001320263396 1055730575 /nfs/dbraw/zinc/73/05/75/1055730575.db2.gz JKYJLZWOFRZNJA-SFHVURJKSA-N 0 1 396.827 3.566 20 5 GHBDMN CC(C)(C)OC(=O)N1CC[C@@](C)(CN2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001321525490 1056303353 /nfs/dbraw/zinc/30/33/53/1056303353.db2.gz VAWVJDOPOXEKSX-FQEVSTJZSA-N 0 1 375.469 3.600 20 5 GHBDMN COc1ccccc1[C@H]1CCN(Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000848480606 1057117787 /nfs/dbraw/zinc/11/77/87/1057117787.db2.gz RJHQPBWWNZWJFS-INIZCTEOSA-N 0 1 378.432 3.914 20 5 GHBDMN O=[N+]([O-])c1ccccc1-c1cnn(CN2CCC(CCCn3ccnc3)CC2)c1 ZINC000848483872 1057120115 /nfs/dbraw/zinc/12/01/15/1057120115.db2.gz TXJFVWSTQUOUFA-UHFFFAOYSA-N 0 1 394.479 3.805 20 5 GHBDMN Cc1ccc(CN2CCCN(C(=O)[C@H](C)c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC001324610890 1057179231 /nfs/dbraw/zinc/17/92/31/1057179231.db2.gz LLCITQHJLGWSGH-GOSISDBHSA-N 0 1 381.476 3.741 20 5 GHBDMN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2cc(-n3cccc3)ccc2F)cc1C ZINC001325838254 1057371384 /nfs/dbraw/zinc/37/13/84/1057371384.db2.gz YKRWLCAIUGCQRF-UHFFFAOYSA-N 0 1 389.408 3.942 20 5 GHBDMN CSc1cccc(C(=O)N2CCCN(Cc3ccc(C)cc3)CC2)c1[N+](=O)[O-] ZINC001338391445 1058544349 /nfs/dbraw/zinc/54/43/49/1058544349.db2.gz RTAWXCCWTVBEAW-UHFFFAOYSA-N 0 1 399.516 3.973 20 5 GHBDMN O=C(N[C@@H](COc1ccccc1F)c1ccccc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC001441563751 1058816465 /nfs/dbraw/zinc/81/64/65/1058816465.db2.gz DKZWUYNRAURKAN-IBGZPJMESA-N 0 1 396.374 3.990 20 5 GHBDMN Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1ccc2nc(CC3CCCCC3)[nH]c2c1 ZINC001445232429 1059484277 /nfs/dbraw/zinc/48/42/77/1059484277.db2.gz KQXNPXOJESRNPH-UHFFFAOYSA-N 0 1 396.451 3.738 20 5 GHBDMN C[C@@H]1CN(Cc2ccc(-c3nnc(-c4cccc([N+](=O)[O-])c4)o3)cc2)C[C@@H](C)O1 ZINC001341253421 1060530091 /nfs/dbraw/zinc/53/00/91/1060530091.db2.gz UEVPECUCTCIOOU-HUUCEWRRSA-N 0 1 394.431 3.921 20 5 GHBDMN Cc1cc(C(=O)N2CCc3nc[nH]c3[C@@H]2c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC001455311888 1062099578 /nfs/dbraw/zinc/09/95/78/1062099578.db2.gz BQLDTZXIMCDXAQ-IBGZPJMESA-N 0 1 380.379 3.553 20 5 GHBDMN COC(=O)c1cnc(S[C@@H]2CCCN(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001458449362 1063813198 /nfs/dbraw/zinc/81/31/98/1063813198.db2.gz ZTOCKUYEKYVUFY-MRXNPFEDSA-N 0 1 387.461 3.533 20 5 GHBDMN O=C(NC[C@@H](c1ccco1)N1CCCC1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001350048252 1063972722 /nfs/dbraw/zinc/97/27/22/1063972722.db2.gz FEVZYIIMDFJUNW-SFHVURJKSA-N 0 1 383.448 3.563 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCC[C@@H]1C[C@H]1C1CC1 ZINC001464497101 1065047312 /nfs/dbraw/zinc/04/73/12/1065047312.db2.gz IDSDORLSGACBGE-KOLCDFICSA-N 0 1 379.265 3.616 20 5 GHBDMN O=C(Nc1ccccc1-c1nnc[nH]1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001466174433 1066012076 /nfs/dbraw/zinc/01/20/76/1066012076.db2.gz WWPKYNITIAHFII-UHFFFAOYSA-N 0 1 386.371 3.694 20 5 GHBDMN CC[N@@H+](CCCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CCCCC1 ZINC001300338368 1066030410 /nfs/dbraw/zinc/03/04/10/1066030410.db2.gz SHBNOKJHFQBYRG-UHFFFAOYSA-N 0 1 383.876 3.728 20 5 GHBDMN O=C([C@@H]1CC1[N+](=O)[O-])N(Cc1ccccc1)Cc1ccc(Br)cc1 ZINC001357961397 1067346324 /nfs/dbraw/zinc/34/63/24/1067346324.db2.gz DECWURGAUNMDES-IAGOWNOFSA-N 0 1 389.249 3.643 20 5 GHBDMN CCO[C@@H]1CN([C@H](C)c2ccccc2[N+](=O)[O-])C[C@H]1CNC(=O)OC(C)(C)C ZINC001460351619 1068937668 /nfs/dbraw/zinc/93/76/68/1068937668.db2.gz KJOXUDKLQZOXFX-IIDMSEBBSA-N 0 1 393.484 3.517 20 5 GHBDMN O=C(NCc1ccc(Nc2ccncc2)cc1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC001470596561 1072640518 /nfs/dbraw/zinc/64/05/18/1072640518.db2.gz QYGOQAAXAMAMMW-UHFFFAOYSA-N 0 1 387.399 3.567 20 5 GHBDMN CC(C)c1ccc(C(=O)N2CCN[C@@H](Cc3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC001470638224 1072662278 /nfs/dbraw/zinc/66/22/78/1072662278.db2.gz CSKHVHWKNOMEBG-SFHVURJKSA-N 0 1 385.439 3.514 20 5 GHBDMN Cc1ccc(-c2n[nH]c(NC(=O)CCc3ccc([N+](=O)[O-])cc3Cl)n2)cc1 ZINC001472483441 1073505747 /nfs/dbraw/zinc/50/57/47/1073505747.db2.gz FCGWPERIGQRVDE-UHFFFAOYSA-N 0 1 385.811 3.913 20 5 GHBDMN Cc1ccc(-c2n[nH]c(NC(=O)CCc3c(Cl)cccc3[N+](=O)[O-])n2)cc1 ZINC001472484099 1073506683 /nfs/dbraw/zinc/50/66/83/1073506683.db2.gz UCESSPSTJFSOQT-UHFFFAOYSA-N 0 1 385.811 3.913 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](CCC(=O)OC(C)(C)C)C1 ZINC001473558149 1074015416 /nfs/dbraw/zinc/01/54/16/1074015416.db2.gz GFJZXGMPAXUMON-OAHLLOKOSA-N 0 1 378.469 3.937 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@]1(C)Cc1cccs1 ZINC001473849033 1074174540 /nfs/dbraw/zinc/17/45/40/1074174540.db2.gz YTUIDBRZHSZHRU-IBGZPJMESA-N 0 1 389.477 3.701 20 5 GHBDMN CNC(=O)[C@@H](NCc1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1)C(C)C ZINC001474129242 1074271011 /nfs/dbraw/zinc/27/10/11/1074271011.db2.gz ZNIXSABDGQRZIK-IBGZPJMESA-N 0 1 387.505 3.915 20 5 GHBDMN CCn1nncc1CNCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC001474218178 1074297969 /nfs/dbraw/zinc/29/79/69/1074297969.db2.gz YCQIKZSVQFJYJE-UHFFFAOYSA-N 0 1 387.827 3.942 20 5 GHBDMN C[C@H]([NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])c1nc(C(F)(F)F)n[n-]1 ZINC001474724361 1074534854 /nfs/dbraw/zinc/53/48/54/1074534854.db2.gz PVDCUIVSDUYMBI-GVXVVHGQSA-N 0 1 383.374 3.794 20 5 GHBDMN C[C@@](CO)(Cc1ccc(F)cc1)NCc1ccc([N+](=O)[O-])cc1Br ZINC001655736957 1126256044 /nfs/dbraw/zinc/25/60/44/1126256044.db2.gz XLEMDHIQXPTWJX-KRWDZBQOSA-N 0 1 397.244 3.580 20 5 GHBDMN CC[N@@H+](Cc1ccc(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1)C(C)C ZINC000737102373 600187033 /nfs/dbraw/zinc/18/70/33/600187033.db2.gz YKKXLQZCXPKTDX-UHFFFAOYSA-N 0 1 385.420 3.776 20 5 GHBDMN C[C@@H](C(=O)[O-])[C@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1 ZINC000833408466 604921467 /nfs/dbraw/zinc/92/14/67/604921467.db2.gz VKDJSEUKQCALBS-ACJLOTCBSA-N 0 1 381.388 3.801 20 5 GHBDMN CC(C)(C(=O)[O-])[C@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccccc1 ZINC000833414946 605182799 /nfs/dbraw/zinc/18/27/99/605182799.db2.gz PRCMOJNIEYBXFF-QGZVFWFLSA-N 0 1 396.403 3.587 20 5 GHBDMN C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])[C@H](C(=O)[O-])c1cccc(Br)c1 ZINC000833694122 605213474 /nfs/dbraw/zinc/21/34/74/605213474.db2.gz KWVCMRCHTQKENA-HNNXBMFYSA-N 0 1 397.200 3.754 20 5 GHBDMN C[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])[C@H](C(=O)[O-])c1cccc(Br)c1 ZINC000833694122 605213478 /nfs/dbraw/zinc/21/34/78/605213478.db2.gz KWVCMRCHTQKENA-HNNXBMFYSA-N 0 1 397.200 3.754 20 5 GHBDMN O=[N+]([O-])c1ccc([O-])cc1CN1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000580846470 837414923 /nfs/dbraw/zinc/41/49/23/837414923.db2.gz MQTPAZPCOLWPEY-NQIIRXRSSA-N 0 1 381.476 3.787 20 5 GHBDMN COc1ccc(C[N@H+]2CCCN(c3cc([N+](=O)[O-])ccc3C(C)=O)CC2)cc1 ZINC000581095059 837460427 /nfs/dbraw/zinc/46/04/27/837460427.db2.gz XIADWLPJYNXKSF-UHFFFAOYSA-N 0 1 383.448 3.518 20 5 GHBDMN COc1ccc(CN2CCCN(c3cc([N+](=O)[O-])ccc3C(C)=O)CC2)cc1 ZINC000581095059 837460433 /nfs/dbraw/zinc/46/04/33/837460433.db2.gz XIADWLPJYNXKSF-UHFFFAOYSA-N 0 1 383.448 3.518 20 5 GHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(Cl)c(Br)c2)cc1 ZINC000126853226 835007015 /nfs/dbraw/zinc/00/70/15/835007015.db2.gz ZKRQYZWASVTDSM-UHFFFAOYSA-N 0 1 391.630 3.812 20 5 GHBDMN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1 ZINC000065857170 836039162 /nfs/dbraw/zinc/03/91/62/836039162.db2.gz HGJRYMMZOVGUMZ-GOSISDBHSA-N 0 1 395.419 3.641 20 5 GHBDMN O=[N+]([O-])c1ccccc1CN[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000136678029 836312019 /nfs/dbraw/zinc/31/20/19/836312019.db2.gz ZYPBAWUMOVBBTF-OAHLLOKOSA-N 0 1 377.326 3.611 20 5 GHBDMN COc1cc(OC)c(NC(=O)CN[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000180424385 837250645 /nfs/dbraw/zinc/25/06/45/837250645.db2.gz CGZMJSWENDTBBJ-NSHDSACASA-N 0 1 393.827 3.555 20 5 GHBDMN Cc1nc2c(n1[C@H]1CCN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])C1)CCCC2 ZINC000275566326 837260604 /nfs/dbraw/zinc/26/06/04/837260604.db2.gz HWPMLBRGHHCBOW-AWEZNQCLSA-N 0 1 388.855 3.719 20 5 GHBDMN C[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000180447538 837275688 /nfs/dbraw/zinc/27/56/88/837275688.db2.gz CQXMUMRYWWUTSA-QWRGUYRKSA-N 0 1 392.799 3.834 20 5 GHBDMN O=C(Nc1ccc2nc(C3CCC3)[nH]c2c1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000181235495 837904044 /nfs/dbraw/zinc/90/40/44/837904044.db2.gz PHDGSBYLERRSBW-UHFFFAOYSA-N 0 1 380.360 3.720 20 5 GHBDMN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC(c2c[nH]c3ncccc23)CC1 ZINC000118838230 837931443 /nfs/dbraw/zinc/93/14/43/837931443.db2.gz HHOJYHGLYBGIFF-AWEZNQCLSA-N 0 1 393.447 3.678 20 5 GHBDMN Cc1nc2c(n1[C@H]1CCN(C(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)C1)CCCC2 ZINC000275637917 838136965 /nfs/dbraw/zinc/13/69/65/838136965.db2.gz MOKUWVLKVXOKCN-HNNXBMFYSA-N 0 1 393.447 3.547 20 5 GHBDMN CCC[C@@H](N[C@H]1CCN(Cc2ccc(F)cc2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000189059895 838192797 /nfs/dbraw/zinc/19/27/97/838192797.db2.gz FKKPGUHZBDZCPE-UXHICEINSA-N 0 1 385.439 3.966 20 5 GHBDMN Cc1cc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c(F)cc1Br ZINC000319177465 838773907 /nfs/dbraw/zinc/77/39/07/838773907.db2.gz JAJQIMSOBQEBIH-UHFFFAOYSA-N 0 1 389.202 3.606 20 5 GHBDMN CCCN(Cc1ccc([N+](=O)[O-])cc1OC)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001167350604 838824861 /nfs/dbraw/zinc/82/48/61/838824861.db2.gz LXHHRLLNAJNLPZ-KRWDZBQOSA-N 0 1 393.484 3.825 20 5 GHBDMN CCCN(Cc1ccc([N+](=O)[O-])cc1OC)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001167350605 838825147 /nfs/dbraw/zinc/82/51/47/838825147.db2.gz LXHHRLLNAJNLPZ-QGZVFWFLSA-N 0 1 393.484 3.825 20 5 GHBDMN O=C(Cc1ccccc1C(F)(F)F)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000104898991 839265538 /nfs/dbraw/zinc/26/55/38/839265538.db2.gz CMNINALJWRPTJH-UHFFFAOYSA-N 0 1 391.309 3.580 20 5 GHBDMN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCNC[C@@H]1c1cccc(Cl)c1 ZINC000261660568 839520016 /nfs/dbraw/zinc/52/00/16/839520016.db2.gz FQBBRKUBVMOHFR-QGZVFWFLSA-N 0 1 394.258 3.617 20 5 GHBDMN CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCCN2Cc2ccccc2)c1 ZINC000549300885 839938053 /nfs/dbraw/zinc/93/80/53/839938053.db2.gz YWTCKAJNYCDOSN-GOSISDBHSA-N 0 1 397.475 3.778 20 5 GHBDMN O=[N+]([O-])c1cc(Br)cc(NS(=O)(=O)c2cccc(Cl)c2)c1 ZINC000566693781 840256651 /nfs/dbraw/zinc/25/66/51/840256651.db2.gz XORWCCPBRXOLPJ-UHFFFAOYSA-N 0 1 391.630 3.812 20 5 GHBDMN CC[C@H](CNC(=O)c1cc(F)cc(C)c1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000123004290 840912186 /nfs/dbraw/zinc/91/21/86/840912186.db2.gz PYYALMFRDHUQGB-GOSISDBHSA-N 0 1 385.439 3.609 20 5 GHBDMN COc1ccc(NC(=O)CN2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000511841045 840914547 /nfs/dbraw/zinc/91/45/47/840914547.db2.gz FKLBGTZBHMHDOE-GGPKGHCWSA-N 0 1 395.459 3.810 20 5 GHBDMN O=C(NCCN1CC=CCC1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000432169626 840920363 /nfs/dbraw/zinc/92/03/63/840920363.db2.gz BEMFUONJQBBKPC-UHFFFAOYSA-N 0 1 382.420 3.771 20 5 GHBDMN CCCCc1nc(C(=O)OCC)c(NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)[nH]1 ZINC000573544946 844590107 /nfs/dbraw/zinc/59/01/07/844590107.db2.gz UNLFVTMWHZDJDN-LBPRGKRZSA-N 0 1 388.424 3.579 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@H](C)c1ccc(C)c(F)c1 ZINC000126670063 841800458 /nfs/dbraw/zinc/80/04/58/841800458.db2.gz AYSNHOZKQUJCTN-OLZOCXBDSA-N 0 1 375.400 3.729 20 5 GHBDMN CCCc1[nH]nc(C(=O)N2CCc3[nH]c4ccc(Cl)cc4c3C2)c1[N+](=O)[O-] ZINC000609476701 842084768 /nfs/dbraw/zinc/08/47/68/842084768.db2.gz SYAZCUUAZMYJRM-UHFFFAOYSA-N 0 1 387.827 3.604 20 5 GHBDMN C[C@H](NCC(=O)Nc1ccccc1Br)c1cccc([N+](=O)[O-])c1 ZINC000182022322 842278338 /nfs/dbraw/zinc/27/83/38/842278338.db2.gz QZCFLKINDJGQGS-NSHDSACASA-N 0 1 378.226 3.647 20 5 GHBDMN CO[C@H](c1ccccc1Cl)[C@@H](C)NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000481407769 861299118 /nfs/dbraw/zinc/29/91/18/861299118.db2.gz LXSSNKJRTXGCRC-XIKOKIGWSA-N 0 1 392.839 3.981 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2cnn(CN3CCCN(c4ccccc4)CC3)c2)cc1 ZINC000728899723 842792559 /nfs/dbraw/zinc/79/25/59/842792559.db2.gz ZNNRGMPVIRIEEB-UHFFFAOYSA-N 0 1 377.448 3.628 20 5 GHBDMN CC(C)OC(=O)c1ccc(NC(=O)[C@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000056196171 842842852 /nfs/dbraw/zinc/84/28/52/842842852.db2.gz BCSUKELDHWZZIK-CABCVRRESA-N 0 1 399.447 3.838 20 5 GHBDMN CC(=O)Nc1cccc([C@H](C)N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000028339507 861351779 /nfs/dbraw/zinc/35/17/79/861351779.db2.gz WSWSMQNERDZSKJ-KBPBESRZSA-N 0 1 384.436 3.539 20 5 GHBDMN C[C@@H](N[C@H](C)c1ccc(NC(=O)C2CC2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000028348425 861352352 /nfs/dbraw/zinc/35/23/52/861352352.db2.gz GTRWJKLXXGVRGC-ZIAGYGMSSA-N 0 1 396.447 3.621 20 5 GHBDMN Cc1cccc(-c2n[nH]cc2CN2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000510505845 842869214 /nfs/dbraw/zinc/86/92/14/842869214.db2.gz JXEXDUNYGGTGEY-UHFFFAOYSA-N 0 1 377.448 3.616 20 5 GHBDMN COc1ccc(C(C)(C)NCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1F ZINC000599598243 861383946 /nfs/dbraw/zinc/38/39/46/861383946.db2.gz HXXGPFONBNCZIA-UHFFFAOYSA-N 0 1 375.400 3.514 20 5 GHBDMN CC[C@@H]1C[C@]1(NCc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)c1cccc(C)c1 ZINC000500507494 843555814 /nfs/dbraw/zinc/55/58/14/843555814.db2.gz JOVGRGJPNBXMOH-VGOFRKELSA-N 0 1 398.459 3.870 20 5 GHBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000556054305 861522825 /nfs/dbraw/zinc/52/28/25/861522825.db2.gz JMFHLQHFPKXNNU-GFCCVEGCSA-N 0 1 384.440 3.858 20 5 GHBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC(CO)(c2ccccc2)CC1 ZINC000433051703 845087979 /nfs/dbraw/zinc/08/79/79/845087979.db2.gz IUBVCDGWEAIRHH-UHFFFAOYSA-N 0 1 384.476 3.908 20 5 GHBDMN CCc1c(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)[nH]nc1-c1ccncc1 ZINC000185806616 861535798 /nfs/dbraw/zinc/53/57/98/861535798.db2.gz LULYVWAWIRNFTI-NSHDSACASA-N 0 1 383.383 3.824 20 5 GHBDMN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1cc(-c2ccccc2Cl)[nH]n1 ZINC000513349096 845262490 /nfs/dbraw/zinc/26/24/90/845262490.db2.gz RWHUVCSCRDOBTM-UHFFFAOYSA-N 0 1 384.823 3.953 20 5 GHBDMN Cn1ccnc1[C@@H](NC[C@@H]1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000611560615 845381803 /nfs/dbraw/zinc/38/18/03/845381803.db2.gz DRQFHDHQTFLHRT-IERDGZPVSA-N 0 1 376.460 3.812 20 5 GHBDMN COc1cccc([C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2)N2CCCC2)c1 ZINC000071794462 845509777 /nfs/dbraw/zinc/50/97/77/845509777.db2.gz RSUJXKFXASTCTG-IBGZPJMESA-N 0 1 384.436 3.562 20 5 GHBDMN C[C@@H](NCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1c(F)cccc1F ZINC000539234550 846019650 /nfs/dbraw/zinc/01/96/50/846019650.db2.gz UUFPRYZPAJFHPE-LLVKDONJSA-N 0 1 377.347 3.522 20 5 GHBDMN Cc1sc(NC(=O)c2ccc3cncn3c2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000551518615 846411447 /nfs/dbraw/zinc/41/14/47/846411447.db2.gz DWXWBZHLYJBSQU-UHFFFAOYSA-N 0 1 379.401 3.927 20 5 GHBDMN COc1ccc([C@@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C(F)(F)F)cc1 ZINC000183211371 846597454 /nfs/dbraw/zinc/59/74/54/846597454.db2.gz PAFTZKTVGFESJQ-OAHLLOKOSA-N 0 1 394.309 3.513 20 5 GHBDMN CC(C)(C)OC(=O)Nc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000204372207 846615059 /nfs/dbraw/zinc/61/50/59/846615059.db2.gz QPAPIIKIZLUKBQ-UHFFFAOYSA-N 0 1 393.421 3.743 20 5 GHBDMN C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@H]2C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)o1 ZINC000502967909 846670818 /nfs/dbraw/zinc/67/08/18/846670818.db2.gz FIRXSBWXQAFEGN-AQNFWKISSA-N 0 1 393.403 3.839 20 5 GHBDMN Cc1ccccc1CC1CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)C1 ZINC001167559057 846758672 /nfs/dbraw/zinc/75/86/72/846758672.db2.gz SZIVXGVMTWIUHG-UHFFFAOYSA-N 0 1 376.416 3.608 20 5 GHBDMN COc1ccc(-c2ccc(CN[C@@H]3CCCc4nn(C)cc43)o2)c([N+](=O)[O-])c1 ZINC000509961462 847308089 /nfs/dbraw/zinc/30/80/89/847308089.db2.gz ZTUSMTCYYOTTLM-QGZVFWFLSA-N 0 1 382.420 3.764 20 5 GHBDMN O=C(Nc1ccc(OC(F)F)c2cccnc12)c1cc(O)cc([N+](=O)[O-])c1 ZINC000479238356 847565944 /nfs/dbraw/zinc/56/59/44/847565944.db2.gz DMRVKMYRFOZJEJ-UHFFFAOYSA-N 0 1 375.287 3.702 20 5 GHBDMN CCn1nc(C)c([N+](=O)[O-])c1NC[C@H](c1ccccc1OC)N1CCCCC1 ZINC000479368856 847609582 /nfs/dbraw/zinc/60/95/82/847609582.db2.gz TXSZLIMKRGDKSU-QGZVFWFLSA-N 0 1 387.484 3.767 20 5 GHBDMN O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000127953253 847749963 /nfs/dbraw/zinc/74/99/63/847749963.db2.gz RLHBCFXWOAPQDH-GOSISDBHSA-N 0 1 391.431 3.676 20 5 GHBDMN O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000127953253 847749968 /nfs/dbraw/zinc/74/99/68/847749968.db2.gz RLHBCFXWOAPQDH-GOSISDBHSA-N 0 1 391.431 3.676 20 5 GHBDMN Cc1c2ccccc2oc1[C@@H](C)NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000183532897 847795533 /nfs/dbraw/zinc/79/55/33/847795533.db2.gz CVVQEGYJPVBMTR-GFCCVEGCSA-N 0 1 397.387 3.667 20 5 GHBDMN COc1ccc(C(=O)Nc2nc3ccc(C(F)(F)F)cc3[nH]2)cc1[N+](=O)[O-] ZINC000178638387 848072891 /nfs/dbraw/zinc/07/28/91/848072891.db2.gz AYKUSRMEUFIOGK-UHFFFAOYSA-N 0 1 380.282 3.751 20 5 GHBDMN O=[N+]([O-])c1ccc2ncnc(N3CCC[C@H]3c3n[nH]c(-c4ccccc4)n3)c2c1 ZINC000611712138 848230388 /nfs/dbraw/zinc/23/03/88/848230388.db2.gz GRVOJSZLYFQLFR-KRWDZBQOSA-N 0 1 387.403 3.665 20 5 GHBDMN O=[N+]([O-])c1ccc2ncnc(N3CCC[C@H]3c3nc(-c4ccccc4)n[nH]3)c2c1 ZINC000611712138 848230398 /nfs/dbraw/zinc/23/03/98/848230398.db2.gz GRVOJSZLYFQLFR-KRWDZBQOSA-N 0 1 387.403 3.665 20 5 GHBDMN Cc1ccc2nc([C@H]3CCCN3C(=O)COc3ccc([N+](=O)[O-])cc3)[nH]c2c1 ZINC000128130525 849179874 /nfs/dbraw/zinc/17/98/74/849179874.db2.gz AUQIARMUBTXRBM-GOSISDBHSA-N 0 1 380.404 3.522 20 5 GHBDMN CCN(C)Cc1cc(O[C@H]2CCN(c3cc(Cl)ccc3[N+](=O)[O-])C2)ccn1 ZINC000856533830 881342498 /nfs/dbraw/zinc/34/24/98/881342498.db2.gz OVSWQVMLXVGUFD-KRWDZBQOSA-N 0 1 390.871 3.753 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000504523621 850118714 /nfs/dbraw/zinc/11/87/14/850118714.db2.gz GDCBIFBXZVLFHG-QGZVFWFLSA-N 0 1 389.402 3.999 20 5 GHBDMN CC[C@H](N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(OC)c(OC)c1 ZINC000506639089 850231748 /nfs/dbraw/zinc/23/17/48/850231748.db2.gz HFCFPSJXPJKFPT-GUYCJALGSA-N 0 1 387.436 3.680 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2ncn(CN3CC[C@@H](c4ccc(Cl)cc4)C3)n2)cc1 ZINC000732187740 862112759 /nfs/dbraw/zinc/11/27/59/862112759.db2.gz ZEIUVYNAXVKPOG-MRXNPFEDSA-N 0 1 383.839 3.954 20 5 GHBDMN O=[N+]([O-])c1ccc(CN[C@@H]2CCN(c3cccc(Br)c3)C2)c(F)c1 ZINC000487188280 850535334 /nfs/dbraw/zinc/53/53/34/850535334.db2.gz NSDGCPWRLSKUCU-CQSZACIVSA-N 0 1 394.244 3.865 20 5 GHBDMN Cc1nc([C@@H]2CCCCN2Cc2ccc(Br)cc2[N+](=O)[O-])n[nH]1 ZINC000425416900 851014255 /nfs/dbraw/zinc/01/42/55/851014255.db2.gz HABYSDMKCFLSKY-ZDUSSCGKSA-N 0 1 380.246 3.511 20 5 GHBDMN Cc1nc(-c2ccc(CCNC(=O)c3cc(O)cc([N+](=O)[O-])c3)s2)cs1 ZINC000505748632 851146983 /nfs/dbraw/zinc/14/69/83/851146983.db2.gz YTJXLJIUFOUCDC-UHFFFAOYSA-N 0 1 389.458 3.766 20 5 GHBDMN C[C@H]1C[C@H](N(C)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000910353313 851167408 /nfs/dbraw/zinc/16/74/08/851167408.db2.gz FDRSKGRQGNWNDR-MAUKXSAKSA-N 0 1 383.448 3.782 20 5 GHBDMN O=C(CN1CCC[C@H]1C1CCC1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000436253808 851385689 /nfs/dbraw/zinc/38/56/89/851385689.db2.gz OCJFJQUMBARZGG-KRWDZBQOSA-N 0 1 386.477 3.921 20 5 GHBDMN O=C(Nc1cccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1)c1ccccc1 ZINC000505787195 851442394 /nfs/dbraw/zinc/44/23/94/851442394.db2.gz LTYXSPYTALFWGA-UHFFFAOYSA-N 0 1 377.356 3.805 20 5 GHBDMN O=C1[C@H](NCc2ccc([N+](=O)[O-])cc2)CCN1c1ccc(Cl)cc1Cl ZINC000473669467 851559991 /nfs/dbraw/zinc/55/99/91/851559991.db2.gz CFXZWMXJJIVFEP-OAHLLOKOSA-N 0 1 380.231 3.797 20 5 GHBDMN COCCSc1ccc([C@H](C)NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1 ZINC000506189340 852143701 /nfs/dbraw/zinc/14/37/01/852143701.db2.gz IITLWHFUOVRWCJ-LBPRGKRZSA-N 0 1 376.434 3.530 20 5 GHBDMN CC(C)[C@@H]1CN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CCN1C ZINC000489352020 852238168 /nfs/dbraw/zinc/23/81/68/852238168.db2.gz BKUIUSCOAWDAQS-NRFANRHFSA-N 0 1 396.491 3.619 20 5 GHBDMN CC(C)c1nnc(-c2ccccc2NC(=O)Cc2ccc([N+](=O)[O-])cc2F)[nH]1 ZINC000150754017 852314401 /nfs/dbraw/zinc/31/44/01/852314401.db2.gz VYPVPTFOYZUIQJ-UHFFFAOYSA-N 0 1 383.383 3.824 20 5 GHBDMN CCN(CC)[C@@H](C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C)c1ccccc1 ZINC000489736574 852560680 /nfs/dbraw/zinc/56/06/80/852560680.db2.gz AMNIJFWBMYZICG-LJQANCHMSA-N 0 1 399.447 3.711 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CC[C@H](c2ccccc2C)C1 ZINC000507202069 852651683 /nfs/dbraw/zinc/65/16/83/852651683.db2.gz GIODVJHETHUWRX-HOTGVXAUSA-N 0 1 383.448 3.728 20 5 GHBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(C(=O)NCCc2cccs2)CC1 ZINC000438684595 852705030 /nfs/dbraw/zinc/70/50/30/852705030.db2.gz WKZKQNJAVCUBDD-HNNXBMFYSA-N 0 1 387.505 3.788 20 5 GHBDMN CN(Cc1cscn1)Cc1cccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1 ZINC000506365622 852865892 /nfs/dbraw/zinc/86/58/92/852865892.db2.gz WXWLKODAWAMXHX-UHFFFAOYSA-N 0 1 398.444 3.641 20 5 GHBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)[C@H]1C[C@H]1c1ccccc1Cl ZINC000490366896 852966164 /nfs/dbraw/zinc/96/61/64/852966164.db2.gz MXBXHXJQFCJLTF-KBPBESRZSA-N 0 1 383.795 3.776 20 5 GHBDMN O=[N+]([O-])c1cccc(CN(C[C@H](O)COc2ccccc2Cl)C2CC2)c1 ZINC000490421764 853006566 /nfs/dbraw/zinc/00/65/66/853006566.db2.gz VSYMCSROAHCOFL-KRWDZBQOSA-N 0 1 376.840 3.653 20 5 GHBDMN Cc1nn(Cc2ccc(-c3nc([C@H](N)CC(C)C)no3)cc2)c(C)c1[N+](=O)[O-] ZINC000516926169 853164222 /nfs/dbraw/zinc/16/42/22/853164222.db2.gz CIWFCXYVBUTTAL-MRXNPFEDSA-N 0 1 384.440 3.552 20 5 GHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000517038076 853288266 /nfs/dbraw/zinc/28/82/66/853288266.db2.gz QQGDKRZLXZRLDG-WDYCEAGBSA-N 0 1 376.416 3.879 20 5 GHBDMN CN(CCNC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)Cc1ccc(F)cc1 ZINC000519844316 853539462 /nfs/dbraw/zinc/53/94/62/853539462.db2.gz FPWJFSFGIQEBCF-UHFFFAOYSA-N 0 1 399.344 3.615 20 5 GHBDMN C[C@H]1CCCC[N@H+]1Cc1ccccc1CNc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000574455723 853604433 /nfs/dbraw/zinc/60/44/33/853604433.db2.gz HNLFUICIEWOVMZ-AWEZNQCLSA-N 0 1 384.436 3.675 20 5 GHBDMN CCN(C(=O)c1cc(F)c([N+](=O)[O-])cc1F)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000129554986 853636320 /nfs/dbraw/zinc/63/63/20/853636320.db2.gz ZMDKYMSRAKYBCA-OAHLLOKOSA-N 0 1 389.402 3.610 20 5 GHBDMN Cc1c([C@@H](C)NCc2cccc(NC(=O)Cn3cccn3)c2)cccc1[N+](=O)[O-] ZINC000129594672 853930111 /nfs/dbraw/zinc/93/01/11/853930111.db2.gz TWSWCZVCCBLYKP-MRXNPFEDSA-N 0 1 393.447 3.589 20 5 GHBDMN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000843769367 854432941 /nfs/dbraw/zinc/43/29/41/854432941.db2.gz JHAONIBQEYJZTG-UHFFFAOYSA-N 0 1 389.402 3.576 20 5 GHBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H](C)[C@H](OC)c2ccccc2Cl)c1 ZINC000589509602 854910199 /nfs/dbraw/zinc/91/01/99/854910199.db2.gz QOHVEBULNUEQPG-SGTLLEGYSA-N 0 1 392.839 3.901 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2nc(CN[C@@H]3CC[C@](O)(C(F)(F)F)C3)cs2)c1 ZINC000589938377 855193855 /nfs/dbraw/zinc/19/38/55/855193855.db2.gz NSXOLTHEAWBHGO-IAQYHMDHSA-N 0 1 387.383 3.654 20 5 GHBDMN CCCc1[nH]nc(C(=O)N2CCC(Oc3ccc(C)c(C)c3)CC2)c1[N+](=O)[O-] ZINC000171803933 856271868 /nfs/dbraw/zinc/27/18/68/856271868.db2.gz HGFUBOJBOMDHOU-UHFFFAOYSA-N 0 1 386.452 3.571 20 5 GHBDMN CN(C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(C(F)(F)F)c1 ZINC000184839329 856454976 /nfs/dbraw/zinc/45/49/76/856454976.db2.gz PURDYXSEUIYJMA-INIZCTEOSA-N 0 1 381.354 3.646 20 5 GHBDMN Cc1ccc(C)c([C@@H]2CN(C(=O)c3[nH]nc4ccc([N+](=O)[O-])cc43)[C@@H](C)CO2)c1 ZINC000172729539 856578690 /nfs/dbraw/zinc/57/86/90/856578690.db2.gz WCBAAFHHVVISRX-LIRRHRJNSA-N 0 1 394.431 3.690 20 5 GHBDMN O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3cc(Cl)nc4ccccc34)C2)nc1 ZINC000129080684 857151640 /nfs/dbraw/zinc/15/16/40/857151640.db2.gz DMAGABVBVHTXOU-AWEZNQCLSA-N 0 1 383.839 3.878 20 5 GHBDMN COc1ccc(-c2ccc(CNCc3ccc4c(c3)OCCO4)o2)c([N+](=O)[O-])c1 ZINC000520956374 857436434 /nfs/dbraw/zinc/43/64/34/857436434.db2.gz UZQGRWJDRFVWIZ-UHFFFAOYSA-N 0 1 396.399 3.924 20 5 GHBDMN CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1c1cc(C)c([N+](=O)[O-])cn1 ZINC000301764890 857606319 /nfs/dbraw/zinc/60/63/19/857606319.db2.gz CTRXEIKUBYXLNT-YWZLYKJASA-N 0 1 383.496 3.739 20 5 GHBDMN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2cc(Cl)cc(F)c2F)c1C ZINC000442214391 857627140 /nfs/dbraw/zinc/62/71/40/857627140.db2.gz AZODLKYWKHKOQR-UHFFFAOYSA-N 0 1 376.768 3.944 20 5 GHBDMN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2cc(Cl)cc(F)c2F)cc1C ZINC000442251949 857656114 /nfs/dbraw/zinc/65/61/14/857656114.db2.gz RQHKTQOJRRYNQY-UHFFFAOYSA-N 0 1 376.768 3.944 20 5 GHBDMN Cc1cccc(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1C ZINC000521278314 857809747 /nfs/dbraw/zinc/80/97/47/857809747.db2.gz HMUZLWOREOAIEO-UHFFFAOYSA-N 0 1 385.239 3.775 20 5 GHBDMN O=C(Nc1ccc(Oc2ccc(F)cc2)c(Br)c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001128368655 858010387 /nfs/dbraw/zinc/01/03/87/858010387.db2.gz GLXMCPCGAIYGPN-TZMCWYRMSA-N 0 1 395.184 3.984 20 5 GHBDMN CCN(Cc1c[nH]c2ccccc12)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000442886879 858208083 /nfs/dbraw/zinc/20/80/83/858208083.db2.gz VEMFHEVGJVNOLW-HXUWFJFHSA-N 0 1 378.432 3.704 20 5 GHBDMN COc1cccc2c1OCC[C@H]2NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000594524174 858209565 /nfs/dbraw/zinc/20/95/65/858209565.db2.gz WTRUOUJLDIADBY-GOSISDBHSA-N 0 1 394.431 3.617 20 5 GHBDMN Cc1cnc(OC2CCN(c3cc(C)nc4ccc([N+](=O)[O-])cc43)CC2)nc1 ZINC000594591557 858215485 /nfs/dbraw/zinc/21/54/85/858215485.db2.gz OWHPLOBVDFZQNH-UHFFFAOYSA-N 0 1 379.420 3.598 20 5 GHBDMN CC(C)Oc1ccccc1[C@H](C)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000521771914 858299755 /nfs/dbraw/zinc/29/97/55/858299755.db2.gz ACRMNQAGAMUENM-LBPRGKRZSA-N 0 1 382.413 3.561 20 5 GHBDMN O=C1N(CCN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C[C@@H]2CCCCN12 ZINC000595105844 858406544 /nfs/dbraw/zinc/40/65/44/858406544.db2.gz TTYCJLGBXMZARZ-LEWJYISDSA-N 0 1 394.475 3.564 20 5 GHBDMN Cc1ccc2nc([C@H]3CCCN(C(=O)c4ccc([N+](=O)[O-])cc4F)C3)[nH]c2c1 ZINC000067158237 858457828 /nfs/dbraw/zinc/45/78/28/858457828.db2.gz IYDPVIISIMSOKW-ZDUSSCGKSA-N 0 1 382.395 3.938 20 5 GHBDMN COc1ccccc1-c1n[nH]c(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)n1 ZINC000042376902 863042346 /nfs/dbraw/zinc/04/23/46/863042346.db2.gz DCKYRLPFJWQIGF-NSHDSACASA-N 0 1 399.432 3.508 20 5 GHBDMN COc1cccc(C2(NCC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])CCC2)c1 ZINC000595863520 858697993 /nfs/dbraw/zinc/69/79/93/858697993.db2.gz YTBQVOFMJCXJAC-UHFFFAOYSA-N 0 1 389.839 3.864 20 5 GHBDMN CCOc1ccc(NC(=O)CNC2(c3cccc(OC)c3)CCC2)c([N+](=O)[O-])c1 ZINC000595861885 858698293 /nfs/dbraw/zinc/69/82/93/858698293.db2.gz SKIIAETXAHERBG-UHFFFAOYSA-N 0 1 399.447 3.610 20 5 GHBDMN O=[N+]([O-])c1ccc(NC2CCN(Cc3cccnc3)CC2)nc1-c1ccccc1 ZINC000429310396 858992691 /nfs/dbraw/zinc/99/26/91/858992691.db2.gz WZHBXFHMNHBVBA-UHFFFAOYSA-N 0 1 389.459 3.550 20 5 GHBDMN CC(C)(C)OCc1cccc(CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c1 ZINC000522352048 859141067 /nfs/dbraw/zinc/14/10/67/859141067.db2.gz NIVFNWOOHZSLJS-UHFFFAOYSA-N 0 1 396.440 3.528 20 5 GHBDMN O=C(NC[C@H](c1ccco1)N1CCCC1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000160753683 859160593 /nfs/dbraw/zinc/16/05/93/859160593.db2.gz ITHLLDKZYXTGQV-LJQANCHMSA-N 0 1 398.463 3.699 20 5 GHBDMN Cc1n[nH]c(C(F)F)c1NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000543295893 859185216 /nfs/dbraw/zinc/18/52/16/859185216.db2.gz AXVNRJYQCORRPQ-UHFFFAOYSA-N 0 1 376.772 3.948 20 5 GHBDMN Cc1cc(C)c(S(=O)(=O)Nc2ccc(C(F)(F)F)nc2C)cc1[N+](=O)[O-] ZINC000509389764 859277844 /nfs/dbraw/zinc/27/78/44/859277844.db2.gz UYOOTGHAYUEJOQ-UHFFFAOYSA-N 0 1 389.355 3.735 20 5 GHBDMN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CCCN(C)Cc1ccco1 ZINC000483416442 859350448 /nfs/dbraw/zinc/35/04/48/859350448.db2.gz LCNGCWOUKBDCHH-UHFFFAOYSA-N 0 1 390.440 3.572 20 5 GHBDMN COc1cc(CN2CC[C@H]3COC[C@@H]3C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000597231654 859365426 /nfs/dbraw/zinc/36/54/26/859365426.db2.gz PFTJSMJJCTXCFZ-HKUYNNGSSA-N 0 1 398.459 3.651 20 5 GHBDMN COc1cc(CNc2ncc(Cc3ccc(F)cc3)s2)cc([N+](=O)[O-])c1O ZINC000543678130 859391095 /nfs/dbraw/zinc/39/10/95/859391095.db2.gz YTVDTDVAKXOFKF-UHFFFAOYSA-N 0 1 389.408 3.529 20 5 GHBDMN O=[N+]([O-])c1cc2c(cc1CN1CCC(c3nc4ccccc4[nH]3)CC1)OCCO2 ZINC000611253587 859666857 /nfs/dbraw/zinc/66/68/57/859666857.db2.gz VHKQQQBCWCPKOJ-UHFFFAOYSA-N 0 1 394.431 3.622 20 5 GHBDMN O=[N+]([O-])c1cc2c(cc1CN(CCCO)[C@@H]1CCCc3ccccc31)OCCO2 ZINC000611274527 859678237 /nfs/dbraw/zinc/67/82/37/859678237.db2.gz KONWPCWSFPMUJW-LJQANCHMSA-N 0 1 398.459 3.628 20 5 GHBDMN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1N1CCN(C)CC1 ZINC000764974532 859704656 /nfs/dbraw/zinc/70/46/56/859704656.db2.gz DWALDOYTPYPMGS-SFHVURJKSA-N 0 1 396.491 3.554 20 5 GHBDMN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H]1COc2c1cccc2Cl ZINC000611336797 859712795 /nfs/dbraw/zinc/71/27/95/859712795.db2.gz KGMDOUSKCMAZTP-MEDUHNTESA-N 0 1 375.812 3.689 20 5 GHBDMN O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000611488534 859783616 /nfs/dbraw/zinc/78/36/16/859783616.db2.gz SFQFPZRWUOIYPL-KRWDZBQOSA-N 0 1 397.479 3.709 20 5 GHBDMN CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1cccs1)N(C)C ZINC000161276178 859787644 /nfs/dbraw/zinc/78/76/44/859787644.db2.gz FUQGNHOQSOWINL-CQSZACIVSA-N 0 1 379.507 3.801 20 5 GHBDMN O=C(Nc1ncc(Cc2cc(F)cc(F)c2)s1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000611553658 859809607 /nfs/dbraw/zinc/80/96/07/859809607.db2.gz FQFWXMHCPYTLBV-UHFFFAOYSA-N 0 1 391.355 3.878 20 5 GHBDMN CC(C)[C@@](C)(NCc1c([N+](=O)[O-])ncn1C)c1ccc(Br)cc1 ZINC000484343439 859962769 /nfs/dbraw/zinc/96/27/69/859962769.db2.gz SHUXRWCUYNYQFJ-MRXNPFEDSA-N 0 1 381.274 3.752 20 5 GHBDMN O=[N+]([O-])c1ccc(NCC2(N3CCOCC3)CCCCC2)cc1OC(F)F ZINC000301342040 860458342 /nfs/dbraw/zinc/45/83/42/860458342.db2.gz GJZOHMFHFMGFSW-UHFFFAOYSA-N 0 1 385.411 3.643 20 5 GHBDMN Cc1cc(C)c(CCNC(=O)CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(C)c1 ZINC001168553581 860514753 /nfs/dbraw/zinc/51/47/53/860514753.db2.gz ULHKBOKHOIXULC-SFHVURJKSA-N 0 1 383.492 3.838 20 5 GHBDMN Cc1cccc(C)c1NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000108759289 860666915 /nfs/dbraw/zinc/66/69/15/860666915.db2.gz QKDCIQKTDAWOAN-UHFFFAOYSA-N 0 1 385.239 3.775 20 5 GHBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCCc1ccc(Cl)cc1Cl ZINC000392769086 860843439 /nfs/dbraw/zinc/84/34/39/860843439.db2.gz VIPTWLHRZSNLHY-UHFFFAOYSA-N 0 1 393.223 3.562 20 5 GHBDMN COc1ccc2nc(S[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)[nH]c2c1 ZINC000021828830 860950219 /nfs/dbraw/zinc/95/02/19/860950219.db2.gz KIJJOJSELWPXIF-LLVKDONJSA-N 0 1 386.433 3.907 20 5 GHBDMN CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCCC[C@@H]2CC(=O)[O-])cc1OC ZINC000593744570 861135832 /nfs/dbraw/zinc/13/58/32/861135832.db2.gz GQGFWFOMZWNCSX-GDBMZVCRSA-N 0 1 394.468 3.858 20 5 GHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC000159961010 863202354 /nfs/dbraw/zinc/20/23/54/863202354.db2.gz XAGAXYMBGXXGIS-GUYCJALGSA-N 0 1 398.419 3.573 20 5 GHBDMN CC[NH+](CC)Cc1cccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000444063036 863247370 /nfs/dbraw/zinc/24/73/70/863247370.db2.gz DHHFASAHSFSFIJ-UHFFFAOYSA-N 0 1 377.466 3.546 20 5 GHBDMN COc1ccc([C@@H](CCO)NCc2ccc(Br)c([N+](=O)[O-])c2)cc1 ZINC000128695296 863368357 /nfs/dbraw/zinc/36/83/57/863368357.db2.gz IYWODKBUADTYCD-MRXNPFEDSA-N 0 1 395.253 3.579 20 5 GHBDMN C[C@@H]1SCCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000522835200 863518638 /nfs/dbraw/zinc/51/86/38/863518638.db2.gz NOFADVNBOXNXLZ-QSFXBCCZSA-N 0 1 388.489 3.513 20 5 GHBDMN O=C(c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CCC(c2cnc[nH]2)CC1 ZINC000444252834 863762570 /nfs/dbraw/zinc/76/25/70/863762570.db2.gz XBAVXABBWDYHKF-UHFFFAOYSA-N 0 1 390.418 3.563 20 5 GHBDMN Cc1ccc(NC(=O)[C@H](N[C@@H]2CCO[C@@H]2C2CC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000494436554 881721917 /nfs/dbraw/zinc/72/19/17/881721917.db2.gz LHCRXORXBHEEGD-HMXCVIKNSA-N 0 1 395.459 3.740 20 5 GHBDMN Cc1ccc([N+](=O)[O-])c(C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)c1C ZINC000897157954 864675728 /nfs/dbraw/zinc/67/57/28/864675728.db2.gz SBUXAOVDXSHQRN-INIZCTEOSA-N 0 1 382.464 3.562 20 5 GHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(F)ccc2N2CCCCC2)cc1 ZINC000608887258 865818274 /nfs/dbraw/zinc/81/82/74/865818274.db2.gz VTQCIDULLBYSTC-UHFFFAOYSA-N 0 1 379.413 3.525 20 5 GHBDMN Cc1nc(-c2ccccc2)sc1CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000608970908 865865688 /nfs/dbraw/zinc/86/56/88/865865688.db2.gz FWPPYSOZECSHPQ-UHFFFAOYSA-N 0 1 393.428 3.833 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC(c2nc3ccccc3s2)C1 ZINC000534216479 866318468 /nfs/dbraw/zinc/31/84/68/866318468.db2.gz PZDPSDJHVLPOPU-UHFFFAOYSA-N 0 1 396.472 3.941 20 5 GHBDMN Cc1ccccc1[C@H]1C[C@@H](C)N(Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000742149726 867102876 /nfs/dbraw/zinc/10/28/76/867102876.db2.gz PHHZQCPLQPZPPR-AEFFLSMTSA-N 0 1 377.448 3.997 20 5 GHBDMN Cc1ccccc1[C@H]1C[C@H](C)N(Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000742149729 867103625 /nfs/dbraw/zinc/10/36/25/867103625.db2.gz PHHZQCPLQPZPPR-WMZOPIPTSA-N 0 1 377.448 3.997 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)Cc1cc(C)ccc1F ZINC000444741846 867163344 /nfs/dbraw/zinc/16/33/44/867163344.db2.gz ZMTHGQAHXJIWAJ-UHFFFAOYSA-N 0 1 375.400 3.512 20 5 GHBDMN O=C(Nc1cccc(F)c1)c1cccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1 ZINC000475618327 867544016 /nfs/dbraw/zinc/54/40/16/867544016.db2.gz AIHXAYYLCAGNAJ-UHFFFAOYSA-N 0 1 395.346 3.944 20 5 GHBDMN Cc1ccc(S(=O)(=O)C[C@H](C)NCc2ccc(C(C)C)c([N+](=O)[O-])c2)cc1 ZINC000479402223 867675065 /nfs/dbraw/zinc/67/50/65/867675065.db2.gz MJOYOHUQMTURKR-INIZCTEOSA-N 0 1 390.505 3.979 20 5 GHBDMN CCc1ccc([C@H](NC[C@H]2CCCN(C(C)=O)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000479497186 867892012 /nfs/dbraw/zinc/89/20/12/867892012.db2.gz KOJWZLYRXXNDEN-IIBYNOLFSA-N 0 1 385.464 3.688 20 5 GHBDMN COc1cc(CNC[C@H](C)C(F)(F)F)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000479585292 868139064 /nfs/dbraw/zinc/13/90/64/868139064.db2.gz AEMPVZGSGBTOTP-QMMMGPOBSA-N 0 1 390.280 3.833 20 5 GHBDMN C[C@H](NC(=O)NC[C@H](c1ccco1)N1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000457432516 868267205 /nfs/dbraw/zinc/26/72/05/868267205.db2.gz CLGWNTKBZBXYIE-MAUKXSAKSA-N 0 1 386.452 3.775 20 5 GHBDMN C[C@H](NC(=O)NC[C@@H](c1ccco1)N1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000457432517 868267726 /nfs/dbraw/zinc/26/77/26/868267726.db2.gz CLGWNTKBZBXYIE-YJBOKZPZSA-N 0 1 386.452 3.775 20 5 GHBDMN Cc1cccc(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])c1 ZINC000462446947 869451652 /nfs/dbraw/zinc/45/16/52/869451652.db2.gz MBFCYZBVWYHBNV-UHFFFAOYSA-N 0 1 375.233 3.689 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCc1ccccc1F ZINC000462480298 869518144 /nfs/dbraw/zinc/51/81/44/869518144.db2.gz KWQVSSKVVHEKOZ-UHFFFAOYSA-N 0 1 379.196 3.519 20 5 GHBDMN CCOc1ccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1Br ZINC000428435822 869522568 /nfs/dbraw/zinc/52/25/68/869522568.db2.gz DBJQASHQKTYCEA-UHFFFAOYSA-N 0 1 381.182 3.714 20 5 GHBDMN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)CCCOc1ccccc1 ZINC000029852190 869566983 /nfs/dbraw/zinc/56/69/83/869566983.db2.gz VOYKJCRAZZUEDZ-CQSZACIVSA-N 0 1 391.855 3.976 20 5 GHBDMN CC(C)CN(CCc1ccc(F)cc1)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000746065831 870004338 /nfs/dbraw/zinc/00/43/38/870004338.db2.gz LDHFZABMZCFOLB-UHFFFAOYSA-N 0 1 387.411 3.800 20 5 GHBDMN O=C(c1cc(-c2ccccc2)[nH]n1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000461687397 870731320 /nfs/dbraw/zinc/73/13/20/870731320.db2.gz WJZZZEMZGKAIPO-IBGZPJMESA-N 0 1 380.429 3.873 20 5 GHBDMN CCc1nn(C)c(NC[C@H](c2ccccc2Cl)N2CCCC2)c1[N+](=O)[O-] ZINC000537640462 882472496 /nfs/dbraw/zinc/47/24/96/882472496.db2.gz JJHFOOHIFKFWAJ-MRXNPFEDSA-N 0 1 377.876 3.793 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2nc(CN[C@H]3CCO[C@@H]3c3cccnc3)cs2)c1 ZINC000285232218 912215080 /nfs/dbraw/zinc/21/50/80/912215080.db2.gz YFVDCTWQZYIWSS-ZWKOTPCHSA-N 0 1 382.445 3.733 20 5 GHBDMN C[C@@H](NCC(=O)NCc1ccccc1OC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000540376067 871107114 /nfs/dbraw/zinc/10/71/14/871107114.db2.gz AQUJACIOPZHWCI-MRXNPFEDSA-N 0 1 397.475 3.883 20 5 GHBDMN COc1cc(C)c(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)cc1C ZINC000766585612 871192684 /nfs/dbraw/zinc/19/26/84/871192684.db2.gz PYVNSOYKVCMRHX-UHFFFAOYSA-N 0 1 384.841 3.983 20 5 GHBDMN COc1ccc(NC(=O)CN[C@H](C)c2ccccc2C(F)(F)F)c([N+](=O)[O-])c1 ZINC000540457551 871351072 /nfs/dbraw/zinc/35/10/72/871351072.db2.gz FGWKDLVUHRRBGH-LLVKDONJSA-N 0 1 397.353 3.912 20 5 GHBDMN COc1ccccc1C[C@H]1CCCN1Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000069690134 871392559 /nfs/dbraw/zinc/39/25/59/871392559.db2.gz BBUYRRWYEDMMRK-GOSISDBHSA-N 0 1 393.447 3.527 20 5 GHBDMN C[C@@H]1CN(Cc2ccc(CNc3ncc([N+](=O)[O-])cc3Cl)cc2)C[C@@H](C)O1 ZINC000301259056 871482080 /nfs/dbraw/zinc/48/20/80/871482080.db2.gz FKOIARYRYNAUMH-ZIAGYGMSSA-N 0 1 390.871 3.865 20 5 GHBDMN Cc1ccc(NC(=O)NC(=O)CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(C)c1 ZINC000181833542 871535802 /nfs/dbraw/zinc/53/58/02/871535802.db2.gz LRVDYRPRJDKTAA-HNNXBMFYSA-N 0 1 384.436 3.519 20 5 GHBDMN CC[NH+](CC)Cc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cc1 ZINC000468963447 871628540 /nfs/dbraw/zinc/62/85/40/871628540.db2.gz LXDUQXDNRTUWQZ-UHFFFAOYSA-N 0 1 377.466 3.546 20 5 GHBDMN COc1ccccc1[C@H](CNc1ccc([N+](=O)[O-])c(OC(F)F)c1)N(C)C ZINC000462115300 871639022 /nfs/dbraw/zinc/63/90/22/871639022.db2.gz FPXROMNHEPDYHI-HNNXBMFYSA-N 0 1 381.379 3.920 20 5 GHBDMN COc1ccc(C(=O)CCN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000509657149 872011459 /nfs/dbraw/zinc/01/14/59/872011459.db2.gz KQDBPWSVGANUIG-UHFFFAOYSA-N 0 1 384.432 3.720 20 5 GHBDMN CSc1cccc(C(=O)Nc2cccc3c2OCC[C@H]3N(C)C)c1[N+](=O)[O-] ZINC000447721665 872208916 /nfs/dbraw/zinc/20/89/16/872208916.db2.gz GYVNLCQIRPOZIL-OAHLLOKOSA-N 0 1 387.461 3.954 20 5 GHBDMN C[C@@H](c1ccccc1F)[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000460350994 872792279 /nfs/dbraw/zinc/79/22/79/872792279.db2.gz LDDPEKCTUFRPSI-AWEZNQCLSA-N 0 1 383.427 3.884 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@](F)(c2ccccc2)C1 ZINC000619784392 872998296 /nfs/dbraw/zinc/99/82/96/872998296.db2.gz KSQFITHTABPVBO-HXUWFJFHSA-N 0 1 387.411 3.503 20 5 GHBDMN COc1ccc(NC(=O)CN[C@H](C)c2cc3cccc(F)c3o2)c([N+](=O)[O-])c1 ZINC000475715721 882697209 /nfs/dbraw/zinc/69/72/09/882697209.db2.gz NIEVZMYBLCUTSB-LLVKDONJSA-N 0 1 387.367 3.778 20 5 GHBDMN Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)c(C)c1 ZINC000768495394 873336300 /nfs/dbraw/zinc/33/63/00/873336300.db2.gz DWIGZQDUSWWNOH-UHFFFAOYSA-N 0 1 385.239 3.775 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1C[C@H]2[C@H](C[C@@H]2c2ccccc2)C1 ZINC001196899195 873465877 /nfs/dbraw/zinc/46/58/77/873465877.db2.gz NWJYFGPRGGMHMW-OPNNQBFTSA-N 0 1 395.459 3.666 20 5 GHBDMN CN1C(=O)C[C@H](NCc2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)cc1 ZINC000768653742 873474342 /nfs/dbraw/zinc/47/43/42/873474342.db2.gz WNDGGBYONDKYPF-MAUKXSAKSA-N 0 1 394.258 3.963 20 5 GHBDMN CC(C)c1cc([C@H]2CCCN([C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C2)[nH]n1 ZINC001197543128 873888559 /nfs/dbraw/zinc/88/85/59/873888559.db2.gz PELDHZKFHONQSP-GJZGRUSLSA-N 0 1 385.468 3.648 20 5 GHBDMN CC(C)[C@H]1CN(Cc2ccccc2)CCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001197815383 874076258 /nfs/dbraw/zinc/07/62/58/874076258.db2.gz KVPIRYBVSFSAQD-HXUWFJFHSA-N 0 1 382.464 3.969 20 5 GHBDMN CN(C)[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)c1ccc(Cl)cc1 ZINC000541785500 874299382 /nfs/dbraw/zinc/29/93/82/874299382.db2.gz UZRBBPDGCVUBTC-INIZCTEOSA-N 0 1 380.807 3.812 20 5 GHBDMN CC(C)(C)OC(=O)NC[C@H](NCc1c(F)cccc1[N+](=O)[O-])C1CCCC1 ZINC000769921823 874345286 /nfs/dbraw/zinc/34/52/86/874345286.db2.gz UVQJPDFDMIVJJN-INIZCTEOSA-N 0 1 381.448 3.907 20 5 GHBDMN Cc1cccnc1[C@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C(C)(C)C ZINC001198509033 874471402 /nfs/dbraw/zinc/47/14/02/874471402.db2.gz ZNORGXGLBOGMKQ-FQEVSTJZSA-N 0 1 382.464 3.564 20 5 GHBDMN Cc1c(CN2CCC[C@]23CCN(C(=O)OC(C)(C)C)C3)cccc1[N+](=O)[O-] ZINC001198555454 874501966 /nfs/dbraw/zinc/50/19/66/874501966.db2.gz ZALBELGMMZYSKU-HXUWFJFHSA-N 0 1 375.469 3.879 20 5 GHBDMN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2C[C@@H](Cc3ccccc3)[C@H](O)C2)c1 ZINC001198597626 874508782 /nfs/dbraw/zinc/50/87/82/874508782.db2.gz VQSNCJIPOUQRSQ-CRAIPNDOSA-N 0 1 380.366 3.649 20 5 GHBDMN CCN(C(=O)OC(C)(C)C)C1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC001198882305 874697470 /nfs/dbraw/zinc/69/74/70/874697470.db2.gz MIKOVFQLDHCHOI-UHFFFAOYSA-N 0 1 393.484 3.695 20 5 GHBDMN O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1NCc1ncc(C(F)(F)F)cn1 ZINC000449469554 874898749 /nfs/dbraw/zinc/89/87/49/874898749.db2.gz HZYZYNOZGVMFSC-IUODEOHRSA-N 0 1 380.370 3.905 20 5 GHBDMN O=[N+]([O-])c1sc(CN[C@H]2C[C@@](CO)(c3ccccc3)C2)cc1Br ZINC000897357444 875255220 /nfs/dbraw/zinc/25/52/20/875255220.db2.gz OCJMVGGVIMIWOA-DRQUAOQDSA-N 0 1 397.294 3.601 20 5 GHBDMN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000761659355 882975658 /nfs/dbraw/zinc/97/56/58/882975658.db2.gz WVGBELFEMOBWNB-INIZCTEOSA-N 0 1 381.354 3.612 20 5 GHBDMN COC(=O)COc1ccc(CN[C@@H]2CCc3ccc(Cl)cc32)cc1[N+](=O)[O-] ZINC000858320336 883022458 /nfs/dbraw/zinc/02/24/58/883022458.db2.gz ANQQRSFHFXZMLV-MRXNPFEDSA-N 0 1 390.823 3.577 20 5 GHBDMN COc1ccc(NC(=O)[C@@H](C)N(C)CCc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000492419138 876774911 /nfs/dbraw/zinc/77/49/11/876774911.db2.gz BXFPXIPCDZHZOV-CYBMUJFWSA-N 0 1 391.855 3.758 20 5 GHBDMN CC(C)n1nc2c(c1NC(=O)c1cc(-c3ccc([N+](=O)[O-])cc3)n[nH]1)CCC2 ZINC000450966930 877140616 /nfs/dbraw/zinc/14/06/16/877140616.db2.gz WJLYHELCRYQTNE-UHFFFAOYSA-N 0 1 380.408 3.503 20 5 GHBDMN CCOc1cc(CN2CCC[C@@H](CNC(=O)c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000492660563 877317613 /nfs/dbraw/zinc/31/76/13/877317613.db2.gz YEOBJTTUIKHINY-SFHVURJKSA-N 0 1 397.475 3.636 20 5 GHBDMN C[C@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)N(C)Cc1nc2ccccc2s1 ZINC000451102135 877394022 /nfs/dbraw/zinc/39/40/22/877394022.db2.gz HTSOACXETQHGJB-KBPBESRZSA-N 0 1 398.488 3.902 20 5 GHBDMN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000610127874 877441330 /nfs/dbraw/zinc/44/13/30/877441330.db2.gz ORMGIRBJEBINCS-HNNXBMFYSA-N 0 1 387.867 3.985 20 5 GHBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@](C)(COC)C2)cc1OC ZINC000451203003 877571142 /nfs/dbraw/zinc/57/11/42/877571142.db2.gz OSGYJIIKYAUUQI-YWZLYKJASA-N 0 1 380.485 3.887 20 5 GHBDMN Cc1ccccc1[C@H]([C@@H](C)NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)N(C)C ZINC000451267102 877681245 /nfs/dbraw/zinc/68/12/45/877681245.db2.gz NNSONUZJRONSMJ-ZHRRBRCNSA-N 0 1 397.475 3.674 20 5 GHBDMN O=[N+]([O-])c1cc(F)ccc1CN1CCN(Cc2cccc3cccnc32)CC1 ZINC000851729262 877884218 /nfs/dbraw/zinc/88/42/18/877884218.db2.gz JGEFSQVEAAKHTB-UHFFFAOYSA-N 0 1 380.423 3.600 20 5 GHBDMN O=C(CN1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)N1CCC[C@H](C(F)(F)F)C1 ZINC000451546368 878120395 /nfs/dbraw/zinc/12/03/95/878120395.db2.gz JDGQMQCIDSPGAZ-HOTGVXAUSA-N 0 1 399.413 3.575 20 5 GHBDMN CC(C)(C)OC(=O)CC1(NCc2cc([N+](=O)[O-])ccc2Cl)CCOCC1 ZINC000852180005 878122951 /nfs/dbraw/zinc/12/29/51/878122951.db2.gz FAFACKFDUMVMMQ-UHFFFAOYSA-N 0 1 384.860 3.619 20 5 GHBDMN C[C@H](C(=O)N1CCc2sccc2C1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451550829 878129882 /nfs/dbraw/zinc/12/98/82/878129882.db2.gz SEJVRGVFWWIBTO-WBVHZDCISA-N 0 1 399.516 3.809 20 5 GHBDMN O=[N+]([O-])c1ccc([C@H](O)CN2CCc3nc(-c4ccccc4)sc3C2)cc1 ZINC000852476261 878362646 /nfs/dbraw/zinc/36/26/46/878362646.db2.gz JXXXLWRUZMLFAV-GOSISDBHSA-N 0 1 381.457 3.810 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451839476 878553379 /nfs/dbraw/zinc/55/33/79/878553379.db2.gz CNVUGQQNRKGBDY-IBGZPJMESA-N 0 1 385.420 3.752 20 5 GHBDMN O=C(OCc1nc2ccc(Br)cc2[nH]1)c1cc(F)ccc1[N+](=O)[O-] ZINC000789038455 878562147 /nfs/dbraw/zinc/56/21/47/878562147.db2.gz ZXOCCCXMDSBXGF-UHFFFAOYSA-N 0 1 394.156 3.730 20 5 GHBDMN CCOc1ccc(C(=O)NC[C@H](c2ccc(Cl)cc2)N(C)C)cc1[N+](=O)[O-] ZINC000530829273 878563274 /nfs/dbraw/zinc/56/32/74/878563274.db2.gz ZMUUSUUUCJCGLC-QGZVFWFLSA-N 0 1 391.855 3.680 20 5 GHBDMN Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)OCc1ncc(C)c([N+](=O)[O-])c1C ZINC000789442805 878979300 /nfs/dbraw/zinc/97/93/00/878979300.db2.gz QLMPNYRQHJGLFK-UHFFFAOYSA-N 0 1 380.404 3.971 20 5 GHBDMN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1nc(Br)ccc1O ZINC000790045873 879396399 /nfs/dbraw/zinc/39/63/99/879396399.db2.gz AMGYUDRCSWPPGS-UHFFFAOYSA-N 0 1 386.589 3.672 20 5 GHBDMN Cc1ccc(C[NH2+][C@H](C(=O)[O-])c2ccccc2Br)cc1[N+](=O)[O-] ZINC000617345472 879616305 /nfs/dbraw/zinc/61/63/05/879616305.db2.gz XFKFLSGERWXUHU-HNNXBMFYSA-N 0 1 379.210 3.581 20 5 GHBDMN Cc1cc(C)n(-c2ccccc2NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000031535278 879643856 /nfs/dbraw/zinc/64/38/56/879643856.db2.gz GNHOXIYMEOTPLM-UHFFFAOYSA-N 0 1 386.433 3.507 20 5 GHBDMN Cc1c(CN[C@@H]2CCN(c3ccccc3C(F)(F)F)C2=O)cccc1[N+](=O)[O-] ZINC000790544393 879837831 /nfs/dbraw/zinc/83/78/31/879837831.db2.gz XCFBNTCRUDJERX-OAHLLOKOSA-N 0 1 393.365 3.817 20 5 GHBDMN Cc1c(CNCc2cc3ccccc3nc2N2CCOCC2)cccc1[N+](=O)[O-] ZINC000790998858 880126013 /nfs/dbraw/zinc/12/60/13/880126013.db2.gz LOFMGVGDMJQTJG-UHFFFAOYSA-N 0 1 392.459 3.578 20 5 GHBDMN O=C1[C@H](NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C[C@@H]2CCCCN12 ZINC000453614492 881152924 /nfs/dbraw/zinc/15/29/24/881152924.db2.gz FCBJADCFMSCDMH-FUHWJXTLSA-N 0 1 399.422 3.769 20 5 GHBDMN CC(C)(C)[C@H](NCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(F)cc1 ZINC000919941541 881219217 /nfs/dbraw/zinc/21/92/17/881219217.db2.gz JECYCDKYFVUGFC-QGZVFWFLSA-N 0 1 385.395 3.664 20 5 GHBDMN COc1ccc(CN2CCC(CN(C)C(=O)OC(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000103494723 881222582 /nfs/dbraw/zinc/22/25/82/881222582.db2.gz XJGMYHXEJPXVID-UHFFFAOYSA-N 0 1 393.484 3.682 20 5 GHBDMN CCCc1[nH]nc(C(=O)N(C)Cc2ccc3cc(OC)ccc3c2)c1[N+](=O)[O-] ZINC000609463178 883224026 /nfs/dbraw/zinc/22/40/26/883224026.db2.gz XICDUWKLRAGZQZ-UHFFFAOYSA-N 0 1 382.420 3.704 20 5 GHBDMN COc1ccc(CN2CCC([C@@H]3CCCCCN3C(C)=O)CC2)cc1[N+](=O)[O-] ZINC000609464615 883226868 /nfs/dbraw/zinc/22/68/68/883226868.db2.gz RRCXVBHPFHZKTH-IBGZPJMESA-N 0 1 389.496 3.607 20 5 GHBDMN O=C(NC[C@@H](c1cccs1)N1CCCC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000609873705 883760041 /nfs/dbraw/zinc/76/00/41/883760041.db2.gz RDBODATUSBQGIY-HNNXBMFYSA-N 0 1 379.869 3.877 20 5 GHBDMN O=C(OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1cc(-c2ccco2)n[nH]1 ZINC000760487329 884157464 /nfs/dbraw/zinc/15/74/64/884157464.db2.gz OXCIQONJKBOSBZ-UHFFFAOYSA-N 0 1 380.316 3.590 20 5 GHBDMN COc1cccc(C(=O)Nc2nc3ccc(C(F)(F)F)cc3[nH]2)c1[N+](=O)[O-] ZINC000194747798 884469860 /nfs/dbraw/zinc/46/98/60/884469860.db2.gz YVYQAAOPABUVNJ-UHFFFAOYSA-N 0 1 380.282 3.751 20 5 GHBDMN C[C@@H](c1ccncc1)N1CCC(NC(=O)c2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000860337466 884575512 /nfs/dbraw/zinc/57/55/12/884575512.db2.gz HZKQKAYRIXFYFI-ZDUSSCGKSA-N 0 1 388.855 3.599 20 5 GHBDMN C[C@H]1Cc2cc(S(=O)(=O)Nc3cc(F)cc([N+](=O)[O-])c3)cc(Cl)c2O1 ZINC000475834950 884804794 /nfs/dbraw/zinc/80/47/94/884804794.db2.gz QNQSYTFMBNLSIV-QMMMGPOBSA-N 0 1 386.788 3.512 20 5 GHBDMN C[C@@H](NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2n1C(F)F ZINC000914795404 884833213 /nfs/dbraw/zinc/83/32/13/884833213.db2.gz PWYRLJPSPOMCAW-BDJLRTHQSA-N 0 1 376.363 3.724 20 5 GHBDMN CC(C)[C@@H](CO)N(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1ccccc1 ZINC000173413466 885168617 /nfs/dbraw/zinc/16/86/17/885168617.db2.gz MYXITPHKLCGVTJ-LJQANCHMSA-N 0 1 396.447 3.664 20 5 GHBDMN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc3nc(-c4cccc(F)c4)[nH]c3c2)n1 ZINC000191554988 885371726 /nfs/dbraw/zinc/37/17/26/885371726.db2.gz LTEVBAUDVRQSIQ-UHFFFAOYSA-N 0 1 394.366 3.746 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000532574478 886145777 /nfs/dbraw/zinc/14/57/77/886145777.db2.gz JWAUQCSVUZDCFL-ZOBUZTSGSA-N 0 1 383.448 3.808 20 5 GHBDMN C[C@@H]1CCNC(=O)[C@@H]1NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000193695305 887262967 /nfs/dbraw/zinc/26/29/67/887262967.db2.gz KRPXWYGSDLAVMB-KZULUSFZSA-N 0 1 389.839 3.655 20 5 GHBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[C@H](NC(=O)OC(C)(C)C)[C@@H]1C ZINC000809770608 887758324 /nfs/dbraw/zinc/75/83/24/887758324.db2.gz CNPNJNGHXPHWAT-ZZVGLVNZSA-N 0 1 375.469 3.986 20 5 GHBDMN COc1ccc(Cl)cc1NC(=O)[C@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000194059763 887996283 /nfs/dbraw/zinc/99/62/83/887996283.db2.gz OSDDDLIFJWMROS-NEPJUHHUSA-N 0 1 377.828 3.935 20 5 GHBDMN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CN[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000809986063 888043107 /nfs/dbraw/zinc/04/31/07/888043107.db2.gz XNUIGCZHAAMUFV-CQSZACIVSA-N 0 1 378.219 3.899 20 5 GHBDMN O=[N+]([O-])c1ccc(Cl)cc1OC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000809995676 888051731 /nfs/dbraw/zinc/05/17/31/888051731.db2.gz UJLQETWFEZVHFI-KRWDZBQOSA-N 0 1 376.840 3.918 20 5 GHBDMN CN(Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C1CCN(c2cnccn2)CC1 ZINC000809998080 888066754 /nfs/dbraw/zinc/06/67/54/888066754.db2.gz LSSYVZLQOHKQCK-UHFFFAOYSA-N 0 1 396.278 3.792 20 5 GHBDMN O=C(Nc1ccc(OC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1)c1cccs1 ZINC000794846898 888403210 /nfs/dbraw/zinc/40/32/10/888403210.db2.gz KSJWHBGEKJJWOJ-UHFFFAOYSA-N 0 1 384.369 3.833 20 5 GHBDMN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc3[nH]ccc3c2)ccc1Br ZINC000120748425 888578545 /nfs/dbraw/zinc/57/85/45/888578545.db2.gz ANSASERPHCNQEU-UHFFFAOYSA-N 0 1 396.222 3.639 20 5 GHBDMN C[C@H](CCc1ccccc1)NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC001184545310 913276352 /nfs/dbraw/zinc/27/63/52/913276352.db2.gz NYTGIAYSTBNNFT-LLVKDONJSA-N 0 1 386.832 3.687 20 5 GHBDMN CC1=C(C(=O)OCC(C)C)[C@@H](c2ccc(C(C)C)c([N+](=O)[O-])c2)NC(=S)N1 ZINC000916190864 888826928 /nfs/dbraw/zinc/82/69/28/888826928.db2.gz CUORZXWPAMKMCW-QGZVFWFLSA-N 0 1 391.493 3.710 20 5 GHBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)N[C@@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC001212217285 890504240 /nfs/dbraw/zinc/50/42/40/890504240.db2.gz RRWRNMGZOQQKKJ-UKRRQHHQSA-N 0 1 395.868 3.648 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1cccc(C(=O)NC[C@H]2CCCO2)c1 ZINC000154234182 890605138 /nfs/dbraw/zinc/60/51/38/890605138.db2.gz YBPRFFRQWPMLQY-OXJNMPFZSA-N 0 1 397.475 3.663 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1CN1CCC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000812770258 890944992 /nfs/dbraw/zinc/94/49/92/890944992.db2.gz IVKIAFRZPPVYRJ-UHFFFAOYSA-N 0 1 375.469 3.879 20 5 GHBDMN COCC(=O)Nc1cccc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2SC)c1 ZINC000872022312 891121309 /nfs/dbraw/zinc/12/13/09/891121309.db2.gz XFAOASICMSTOMF-CYBMUJFWSA-N 0 1 389.477 3.752 20 5 GHBDMN O=[N+]([O-])c1ccccc1-c1ccc(CNCc2ccccc2Cn2cncn2)o1 ZINC000508728820 893011557 /nfs/dbraw/zinc/01/15/57/893011557.db2.gz FRXUCGHFWNEUQX-UHFFFAOYSA-N 0 1 389.415 3.784 20 5 GHBDMN Cc1cc(Cl)c(C(=O)NCc2ccc(F)c(CN(C)C)c2)cc1[N+](=O)[O-] ZINC000825863824 893021938 /nfs/dbraw/zinc/02/19/38/893021938.db2.gz VTBNDHPIWQFNTD-UHFFFAOYSA-N 0 1 379.819 3.687 20 5 GHBDMN Cc1nn(C)c(C(=O)Nc2ccc3nc(C4CCCCC4)[nH]c3c2)c1[N+](=O)[O-] ZINC000154619494 893046731 /nfs/dbraw/zinc/04/67/31/893046731.db2.gz GPQHEVUYPUYGIP-UHFFFAOYSA-N 0 1 382.424 3.813 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H](c1ccccc1)C1(CO)CCCC1 ZINC000459529504 893738795 /nfs/dbraw/zinc/73/87/95/893738795.db2.gz MCDRLDIILJFLPO-NRFANRHFSA-N 0 1 397.475 3.725 20 5 GHBDMN CN(Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C[C@H](O)COCc1ccccc1 ZINC000563519711 893859431 /nfs/dbraw/zinc/85/94/31/893859431.db2.gz ZRALPHVZNDTTQB-KRWDZBQOSA-N 0 1 398.381 3.623 20 5 GHBDMN COc1cc(CNCc2ccc(Br)c(C)c2)c([N+](=O)[O-])cc1O ZINC000459664820 894021987 /nfs/dbraw/zinc/02/19/87/894021987.db2.gz QFTDWEGSWZFGPF-UHFFFAOYSA-N 0 1 381.226 3.670 20 5 GHBDMN CCC[C@@H]1CN(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000537240368 894638016 /nfs/dbraw/zinc/63/80/16/894638016.db2.gz ZUADHCHYYXGWCC-LJQANCHMSA-N 0 1 397.475 3.730 20 5 GHBDMN CCO[C@@H]1C[C@H](NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])[C@@H]1n1cccn1 ZINC000816672504 895017908 /nfs/dbraw/zinc/01/79/08/895017908.db2.gz BPDMBFALUAKAJU-LZWOXQAQSA-N 0 1 385.251 3.606 20 5 GHBDMN Cc1ccc([C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2Cl)N2CCCC2)o1 ZINC000816915262 895201136 /nfs/dbraw/zinc/20/11/36/895201136.db2.gz UUJCYZMUPOVZFV-OAHLLOKOSA-N 0 1 377.828 3.717 20 5 GHBDMN C[N@H+]1CCC[C@H](CNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000565036009 895361049 /nfs/dbraw/zinc/36/10/49/895361049.db2.gz OPZREFQZGNTNNX-AUUYWEPGSA-N 0 1 389.477 3.778 20 5 GHBDMN O=[N+]([O-])c1ccc(NS(=O)(=O)c2cccc(Br)c2)cc1Cl ZINC000211620275 896348120 /nfs/dbraw/zinc/34/81/20/896348120.db2.gz PDAYECOSYMSROZ-UHFFFAOYSA-N 0 1 391.630 3.812 20 5 GHBDMN Cc1cc(F)cc(S(=O)(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)c1 ZINC000567032631 896816689 /nfs/dbraw/zinc/81/66/89/896816689.db2.gz APVHGCGJCXNWNW-UHFFFAOYSA-N 0 1 389.202 3.606 20 5 GHBDMN O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@@H](c2ccco2)N2CCCC2)c1 ZINC000131301681 897400234 /nfs/dbraw/zinc/40/02/34/897400234.db2.gz IPOFZBBAENOWGD-HNNXBMFYSA-N 0 1 381.379 3.716 20 5 GHBDMN CC[C@@H](NCc1cc(I)cc([N+](=O)[O-])c1)c1ccncc1 ZINC000289416097 914176875 /nfs/dbraw/zinc/17/68/75/914176875.db2.gz BYZQQZOBGSAJHA-OAHLLOKOSA-N 0 1 397.216 3.835 20 5 GHBDMN CCc1[nH]nc(C(=O)N2CCC[C@@H]2c2ccc(Br)s2)c1[N+](=O)[O-] ZINC000331401481 898465726 /nfs/dbraw/zinc/46/57/26/898465726.db2.gz MZCVXKAQDPIENX-SECBINFHSA-N 0 1 399.270 3.682 20 5 GHBDMN CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]([C@@H](C)C(=O)[O-])C2CCC2)cc1OC ZINC000569260233 898480651 /nfs/dbraw/zinc/48/06/51/898480651.db2.gz OFWNNLIKQVEVDS-KGLIPLIRSA-N 0 1 394.468 3.856 20 5 GHBDMN CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCCN(Cc1ccccc1[N+](=O)[O-])C2 ZINC000805794527 898507159 /nfs/dbraw/zinc/50/71/59/898507159.db2.gz VVMBBYYROBRMMB-FQEVSTJZSA-N 0 1 375.469 3.818 20 5 GHBDMN CNC(=O)CC[C@@H]1CCCCN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000289631726 914273681 /nfs/dbraw/zinc/27/36/81/914273681.db2.gz MAOYYTFLMVOLEB-INIZCTEOSA-N 0 1 388.493 3.599 20 5 GHBDMN Cc1cc([N+](=O)[O-])c(F)c(C(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)c1F ZINC000823268330 898930020 /nfs/dbraw/zinc/93/00/20/898930020.db2.gz HZYFSWHADJWWRX-UKRRQHHQSA-N 0 1 389.402 3.747 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2ccc(CN3CC[C@@H](C(F)(F)F)[C@@H](CO)C3)o2)cc1 ZINC000289771681 914339078 /nfs/dbraw/zinc/33/90/78/914339078.db2.gz RIAJGPCYESSCEM-CZUORRHYSA-N 0 1 384.354 3.848 20 5 GHBDMN CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)c1 ZINC000572018143 900035072 /nfs/dbraw/zinc/03/50/72/900035072.db2.gz CVNQFDLTNGRIJK-QGZVFWFLSA-N 0 1 397.475 3.730 20 5 GHBDMN Cc1cc(Cl)c(S(=O)(=O)Nc2ccc3ncccc3c2)cc1[N+](=O)[O-] ZINC000135924401 900516982 /nfs/dbraw/zinc/51/69/82/900516982.db2.gz HKXCSORNVMMILD-UHFFFAOYSA-N 0 1 377.809 3.906 20 5 GHBDMN O=C(NC[C@H](c1cccs1)N1CCCC1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000136169176 900601797 /nfs/dbraw/zinc/60/17/97/900601797.db2.gz XADMSBYCPJFVJM-OAHLLOKOSA-N 0 1 379.869 3.877 20 5 GHBDMN Cc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)N2CCCC2)o1 ZINC000136807566 900757687 /nfs/dbraw/zinc/75/76/87/900757687.db2.gz XXYVGSDWJDTTRX-INIZCTEOSA-N 0 1 377.828 3.717 20 5 GHBDMN Cn1ccnc1[C@H](NC[C@@]1(C)CCOC2(CCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000886776531 901267641 /nfs/dbraw/zinc/26/76/41/901267641.db2.gz JEDQMEMHMLVELT-QUCCMNQESA-N 0 1 384.480 3.747 20 5 GHBDMN C[N@@H+](Cc1ccc2nc(NC(=O)c3ccc([N+](=O)[O-])cc3[O-])sc2c1)C1CC1 ZINC001146750363 903602279 /nfs/dbraw/zinc/60/22/79/903602279.db2.gz RDHJLSMIUTWJCP-UHFFFAOYSA-N 0 1 398.444 3.757 20 5 GHBDMN C[C@@H](Sc1nc(-c2ccccc2)n[nH]1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000005209983 914738704 /nfs/dbraw/zinc/73/87/04/914738704.db2.gz BPTOGQWBAYLTTC-SNVBAGLBSA-N 0 1 387.396 3.638 20 5 GHBDMN Cc1ccc(-c2n[nH]c(NC(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)n2)cc1 ZINC000578273576 903678747 /nfs/dbraw/zinc/67/87/47/903678747.db2.gz QBLJBWOPDVHLSE-UHFFFAOYSA-N 0 1 389.318 3.542 20 5 GHBDMN CCOc1ccc2c(c1)c(=N)c1ccc(N)cc1n2C(=O)c1ccc[nH]c1=S ZINC001147681042 903847565 /nfs/dbraw/zinc/84/75/65/903847565.db2.gz VVTPOOPLDGZMQG-UHFFFAOYSA-N 0 1 390.468 3.627 20 5 GHBDMN CC[C@@H](CSc1ccccc1[N+](=O)[O-])NCc1cn(-c2ccccc2)nn1 ZINC000773037409 904391834 /nfs/dbraw/zinc/39/18/34/904391834.db2.gz UZOBNNIHHFZLSD-HNNXBMFYSA-N 0 1 383.477 3.836 20 5 GHBDMN C[C@@H]1CCC[N@@H+](Cc2ccccc2CNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000579359022 904540085 /nfs/dbraw/zinc/54/00/85/904540085.db2.gz DIEIMTJIEJTQKV-CQSZACIVSA-N 0 1 384.436 3.532 20 5 GHBDMN Cc1cc([C@@H]2CCCN2C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)no1 ZINC001173010697 906087329 /nfs/dbraw/zinc/08/73/29/906087329.db2.gz XVLSOKBSHOPVEC-SFHVURJKSA-N 0 1 392.406 3.975 20 5 GHBDMN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC001173221968 906299091 /nfs/dbraw/zinc/29/90/91/906299091.db2.gz OAASGAIRYJSJJH-MRXNPFEDSA-N 0 1 389.496 3.859 20 5 GHBDMN COc1ccc(NC(=O)CN2CCC[C@]2(C)Cc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC001175034544 907346773 /nfs/dbraw/zinc/34/67/73/907346773.db2.gz ABBLBJVUCYEMBS-JOCHJYFZSA-N 0 1 397.475 3.948 20 5 GHBDMN C[C@@H](N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC001175332066 907506125 /nfs/dbraw/zinc/50/61/25/907506125.db2.gz BKPIRIJAUXCQQR-NJAPINKUSA-N 0 1 389.839 3.695 20 5 GHBDMN CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC001175576514 907642940 /nfs/dbraw/zinc/64/29/40/907642940.db2.gz DWXYVISOZXQBRE-RHSMWYFYSA-N 0 1 391.468 3.522 20 5 GHBDMN C[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(F)c2)CC[C@@H]1CNC(=O)OC(C)(C)C ZINC001176699133 908215558 /nfs/dbraw/zinc/21/55/58/908215558.db2.gz HBOFAJKJLRBGNH-UKRRQHHQSA-N 0 1 381.448 3.717 20 5 GHBDMN C[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000194059531 908856032 /nfs/dbraw/zinc/85/60/32/908856032.db2.gz JMMCULSACCDPEP-GHMZBOCLSA-N 0 1 392.799 3.834 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2noc(CSc3nc(Cc4ccccc4)n[nH]3)n2)cc1 ZINC000194587134 908898225 /nfs/dbraw/zinc/89/82/25/908898225.db2.gz UTLQTXCGZHDHMP-UHFFFAOYSA-N 0 1 394.416 3.646 20 5 GHBDMN C[C@@H](N[C@H](C)c1ccccc1[N+](=O)[O-])c1cccc(N2CCCS2(=O)=O)c1 ZINC000266501249 909198106 /nfs/dbraw/zinc/19/81/06/909198106.db2.gz VPGMJHGSWRLORO-HUUCEWRRSA-N 0 1 389.477 3.547 20 5 GHBDMN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1ccc2nc(-c3ccco3)[nH]c2c1 ZINC000801828960 921530132 /nfs/dbraw/zinc/53/01/32/921530132.db2.gz MPRSSAMJVNYMTI-UHFFFAOYSA-N 0 1 381.323 3.705 20 5 GHBDMN C[C@@H](NCc1ccc(Br)c([N+](=O)[O-])c1)c1ccc([S@](C)=O)cc1 ZINC000270136852 910454915 /nfs/dbraw/zinc/45/49/15/910454915.db2.gz QKCIBYKGOWEIHR-BGJPBQGDSA-N 0 1 397.294 3.946 20 5 GHBDMN CN(CCc1cccc([N+](=O)[O-])c1)Cc1ccc(C(=O)OCc2ccccc2)[nH]1 ZINC001181154923 910575031 /nfs/dbraw/zinc/57/50/31/910575031.db2.gz XCEOTVNUKCIZSC-UHFFFAOYSA-N 0 1 393.443 3.954 20 5 GHBDMN CC(C)c1n[nH]c(COC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)n1 ZINC000795530944 910975639 /nfs/dbraw/zinc/97/56/39/910975639.db2.gz NVROEGLEEPVDCK-UHFFFAOYSA-N 0 1 398.369 3.558 20 5 GHBDMN CC(C)c1nc(COC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)n[nH]1 ZINC000795530944 910975653 /nfs/dbraw/zinc/97/56/53/910975653.db2.gz NVROEGLEEPVDCK-UHFFFAOYSA-N 0 1 398.369 3.558 20 5 GHBDMN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2NCc2cc([N+](=O)[O-])ccc2Cl)n1 ZINC000774259286 911579212 /nfs/dbraw/zinc/57/92/12/911579212.db2.gz HTHFOGYNVADKJM-HUUCEWRRSA-N 0 1 379.804 3.626 20 5 GHBDMN COC(=O)COc1ccc(CN2CC(c3ccccc3)(C(C)C)C2)cc1[N+](=O)[O-] ZINC001182424458 911615556 /nfs/dbraw/zinc/61/55/56/911615556.db2.gz UISVGTPFCPGPRP-UHFFFAOYSA-N 0 1 398.459 3.556 20 5 GHBDMN O=C(Cc1c[nH]c2cccc(Cl)c12)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC001182600945 911915305 /nfs/dbraw/zinc/91/53/05/911915305.db2.gz WONHZSNLXXVJOO-UHFFFAOYSA-N 0 1 396.794 3.696 20 5 GHBDMN CC[C@@H](N[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1ccccc1OC ZINC000775080343 914988334 /nfs/dbraw/zinc/98/83/34/914988334.db2.gz LRMSTLHHPCXQEG-CZUORRHYSA-N 0 1 387.436 3.680 20 5 GHBDMN O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3ccc(OC(F)(F)F)cc3)C2)nc1 ZINC000303743143 915084311 /nfs/dbraw/zinc/08/43/11/915084311.db2.gz ZSXUDGDGFUSQQK-ZDUSSCGKSA-N 0 1 382.342 3.575 20 5 GHBDMN Cc1ccc([N+](=O)[O-])c(N2CC[C@]3(C2)CN(Cc2ccccc2)C[C@H](C)O3)c1 ZINC001187430829 915285585 /nfs/dbraw/zinc/28/55/85/915285585.db2.gz QGYPHORHTSNMNB-PGRDOPGGSA-N 0 1 381.476 3.773 20 5 GHBDMN O=[N+]([O-])c1ccccc1-c1nnc(CSc2nc(-c3ccccc3F)n[nH]2)o1 ZINC001188037681 915695455 /nfs/dbraw/zinc/69/54/55/915695455.db2.gz FXRNENLLHOXTFK-UHFFFAOYSA-N 0 1 398.379 3.861 20 5 GHBDMN Cc1nc([C@H]2CCCN2C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)cs1 ZINC000295215222 917211237 /nfs/dbraw/zinc/21/12/37/917211237.db2.gz PZSAMSJCJJRJDD-QGZVFWFLSA-N 0 1 383.433 3.727 20 5 GHBDMN Cc1c(CN2CCC(c3nc(-c4ccccn4)no3)CC2)cccc1[N+](=O)[O-] ZINC000363953428 919001648 /nfs/dbraw/zinc/00/16/48/919001648.db2.gz KPWRKWKCGWDWHS-UHFFFAOYSA-N 0 1 379.420 3.728 20 5 GHBDMN NC(=O)C[C@@H]1CCN(Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000367711449 922277651 /nfs/dbraw/zinc/27/76/51/922277651.db2.gz YEMVLDABPCFUMH-AWEZNQCLSA-N 0 1 389.839 3.738 20 5 GHBDMN COc1cc([C@@H](C)NCc2ccc(CN3CCCC3=O)cc2)cc([N+](=O)[O-])c1 ZINC000903074516 922748754 /nfs/dbraw/zinc/74/87/54/922748754.db2.gz NMAVGMXHUOQDIR-OAHLLOKOSA-N 0 1 383.448 3.577 20 5 GHBDMN COc1cc([C@H](C)N[C@H](C)c2ccc(N3CCNC3=O)cc2)cc([N+](=O)[O-])c1 ZINC000903192401 922843818 /nfs/dbraw/zinc/84/38/18/922843818.db2.gz MHJONDPWYKNIOA-KGLIPLIRSA-N 0 1 384.436 3.545 20 5 GHBDMN C[C@@H](C(=O)Nc1cccc2ccccc21)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369692102 923546646 /nfs/dbraw/zinc/54/66/46/923546646.db2.gz HGLIHUAWDYTQFS-HNNXBMFYSA-N 0 1 393.447 3.609 20 5 GHBDMN O=[N+]([O-])c1ccccc1-c1ccc(CN[C@H](c2nnc[nH]2)c2ccccc2)o1 ZINC000372922776 925773121 /nfs/dbraw/zinc/77/31/21/925773121.db2.gz MMXAVPMYJPJNTB-IBGZPJMESA-N 0 1 375.388 3.852 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2noc(CN3CCCC[C@@H]3[C@@H](O)c3ccccc3)n2)cc1 ZINC000750609082 927747830 /nfs/dbraw/zinc/74/78/30/927747830.db2.gz PONFORCLRQCSHN-QUCCMNQESA-N 0 1 394.431 3.733 20 5 GHBDMN C/C(=C\C(=O)NC[C@@H](c1ccc(C)o1)N1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000751874495 928442404 /nfs/dbraw/zinc/44/24/04/928442404.db2.gz JLRPMVHOIPXXMS-LLLGYDHXSA-N 0 1 383.448 3.853 20 5 GHBDMN CCCCO[C@H]1C[C@@H](N(C)Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1(C)C ZINC000751942584 928498995 /nfs/dbraw/zinc/49/89/95/928498995.db2.gz KKTOXRIACSJZPV-SJORKVTESA-N 0 1 375.473 3.521 20 5 GHBDMN Nc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc2nc(-c3ccc(F)cc3)[nH]c2c1 ZINC000544737164 929518890 /nfs/dbraw/zinc/51/88/90/929518890.db2.gz MPNKCPCQSLAQOZ-UHFFFAOYSA-N 0 1 392.350 3.507 20 5 GHBDMN CCN(CC)[C@@H](CNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)c1ccco1 ZINC000757203224 929675871 /nfs/dbraw/zinc/67/58/71/929675871.db2.gz KSWZUUALGIVOMH-INIZCTEOSA-N 0 1 394.859 3.724 20 5 GHBDMN O=C(Nc1nc(C2CCC2)n[nH]1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000546150690 929907963 /nfs/dbraw/zinc/90/79/63/929907963.db2.gz GGKNXAXSAOBTPC-UHFFFAOYSA-N 0 1 392.419 3.845 20 5 GHBDMN O=C(Nc1n[nH]c(C2CCC2)n1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000546150690 929907965 /nfs/dbraw/zinc/90/79/65/929907965.db2.gz GGKNXAXSAOBTPC-UHFFFAOYSA-N 0 1 392.419 3.845 20 5 GHBDMN Cc1cc(F)cc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(Br)c2)c1 ZINC000782265753 931147721 /nfs/dbraw/zinc/14/77/21/931147721.db2.gz UQFCWJHZLXGDER-UHFFFAOYSA-N 0 1 389.202 3.606 20 5 GHBDMN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)CCCN(C)Cc1ccco1 ZINC000557166279 931243111 /nfs/dbraw/zinc/24/31/11/931243111.db2.gz YBJDKODPYGJUMO-HNNXBMFYSA-N 0 1 391.493 3.649 20 5 GHBDMN C/C(=C/C(=O)NC[C@H](c1ccco1)N1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000783731511 931634915 /nfs/dbraw/zinc/63/49/15/931634915.db2.gz XJYQMJUMOJHFAF-WLGQOEQESA-N 0 1 383.448 3.935 20 5 GHBDMN C/C(=C\C(=O)NC[C@@H](C)N1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000783895750 931708236 /nfs/dbraw/zinc/70/82/36/931708236.db2.gz KOXQHCQOMPNGDJ-HJUDDPQBSA-N 0 1 379.460 3.561 20 5 GHBDMN COc1ccc2c(c1)CCC[C@H]2N(C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000558063658 931823391 /nfs/dbraw/zinc/82/33/91/931823391.db2.gz RMEDRJZLZSHSPH-OAQYLSRUSA-N 0 1 395.459 3.502 20 5 GHBDMN CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1 ZINC001116291649 933461122 /nfs/dbraw/zinc/46/11/22/933461122.db2.gz SZKGOSAPGDRDBE-KRWDZBQOSA-N 0 1 381.392 3.617 20 5 GHBDMN CC(C)CN1Cc2cccc(NC(=O)COc3ccc([N+](=O)[O-])c(F)c3)c2C1 ZINC001116441428 933559883 /nfs/dbraw/zinc/55/98/83/933559883.db2.gz VUTIWVBKLCYBBA-UHFFFAOYSA-N 0 1 387.411 3.723 20 5 GHBDMN COC(=O)c1cc([N+](=O)[O-])c(C)cc1Sc1nc(-c2ccccc2F)n[nH]1 ZINC000561104104 933868763 /nfs/dbraw/zinc/86/87/63/933868763.db2.gz WJYLBPHJKSBQGL-UHFFFAOYSA-N 0 1 388.380 3.765 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2cnn(CN3CCC(Cc4cccnc4)CC3)c2)c1 ZINC000777956862 934384657 /nfs/dbraw/zinc/38/46/57/934384657.db2.gz AUGDYWIVAYULTI-UHFFFAOYSA-N 0 1 377.448 3.766 20 5 GHBDMN Cc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)cc1[N+](=O)[O-] ZINC001594350148 958344533 /nfs/dbraw/zinc/34/45/33/958344533.db2.gz SWQNNXZHUQMASO-ZBFHGGJFSA-N 0 1 387.436 3.648 20 5 GHBDMN O=C([O-])[C@@H]1CC[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])[C@@H]2CCCC[C@H]12 ZINC000903907348 981032611 /nfs/dbraw/zinc/03/26/11/981032611.db2.gz VNXITIUIHZYJAO-LALPHHSUSA-N 0 1 397.269 3.823 20 5 GHBDMN CN(C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)[C@@H](c1nnc[nH]1)c1ccccc1 ZINC001626079204 1014861454 /nfs/dbraw/zinc/86/14/54/1014861454.db2.gz REASCHQYXRUGMU-GOSISDBHSA-N 0 1 393.447 3.872 20 5 GHBDMN C[N@@H+](Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC001598507876 992530657 /nfs/dbraw/zinc/53/06/57/992530657.db2.gz WBXIRBONQLMVON-IEBWSBKVSA-N 0 1 388.395 3.784 20 5 GHBDMN CN1CC[C@H](NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)[C@@H]1c1ccccc1 ZINC000545845336 1016508432 /nfs/dbraw/zinc/50/84/32/1016508432.db2.gz RKSARIZKAAIOBY-OALUTQOASA-N 0 1 385.439 3.573 20 5 GHBDMN COc1ccc(F)cc1-c1noc(-c2cc(-c3cccc([N+](=O)[O-])c3)n[nH]2)n1 ZINC001212995316 1032309944 /nfs/dbraw/zinc/30/99/44/1032309944.db2.gz SYNOINJSLXMPJA-UHFFFAOYSA-N 0 1 381.323 3.850 20 5 GHBDMN CO[C@@H](CN1CCN(c2ccc3c(cccc3[N+](=O)[O-])n2)CC1)c1ccccc1 ZINC001155715662 1032658189 /nfs/dbraw/zinc/65/81/89/1032658189.db2.gz LEAWXUDQIWQIRS-NRFANRHFSA-N 0 1 392.459 3.653 20 5 GHBDMN CO[C@@H](CN1CCN(c2nccc3ccc([N+](=O)[O-])cc32)CC1)c1ccccc1 ZINC001155719810 1032662274 /nfs/dbraw/zinc/66/22/74/1032662274.db2.gz QUDHMLRRNATVOC-NRFANRHFSA-N 0 1 392.459 3.653 20 5 GHBDMN COC(=O)c1cc(NC(=O)c2ccnc3c2ccc2cccnc23)cc2[nH]ncc21 ZINC001155816253 1032722730 /nfs/dbraw/zinc/72/27/30/1032722730.db2.gz VAXAWLYIAXQCTG-UHFFFAOYSA-N 0 1 397.394 3.698 20 5 GHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC(c2cccc(F)c2F)CC1 ZINC000568824249 1019447337 /nfs/dbraw/zinc/44/73/37/1019447337.db2.gz NYABFXQKENBRFZ-UHFFFAOYSA-N 0 1 386.358 3.769 20 5 GHBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000576523431 1020023999 /nfs/dbraw/zinc/02/39/99/1020023999.db2.gz PMDGYNUCOAUXSE-RTBURBONSA-N 0 1 384.432 3.682 20 5 GHBDMN COc1cc(CN(C2CC2)[C@H]2CCN(C(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000778951941 1020045434 /nfs/dbraw/zinc/04/54/34/1020045434.db2.gz PYBGFWLHKFZEPQ-INIZCTEOSA-N 0 1 391.468 3.577 20 5 GHBDMN CC[C@H](N[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1c(C)nn(C)c1C ZINC000754433117 1022702282 /nfs/dbraw/zinc/70/22/82/1022702282.db2.gz AFSWZERJTXOILF-ABAIWWIYSA-N 0 1 393.875 3.666 20 5 GHBDMN Cc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](c2cccc(F)c2)N(C)C)cc1Cl ZINC000836251153 1022771243 /nfs/dbraw/zinc/77/12/43/1022771243.db2.gz DHPNBSFQYLNWGB-KRWDZBQOSA-N 0 1 379.819 3.728 20 5 GHBDMN CC(C)c1ccc(CN[C@H]2CCN(c3c(F)cccc3F)C2=O)cc1[N+](=O)[O-] ZINC000756151924 1023537575 /nfs/dbraw/zinc/53/75/75/1023537575.db2.gz WEMWQPDPBKUCFX-KRWDZBQOSA-N 0 1 389.402 3.892 20 5 GHBDMN O=[N+]([O-])c1c(O)cc(C(F)(F)F)nc1O[C@H]1CCc2c1nccc2Cl ZINC001228862830 1033144925 /nfs/dbraw/zinc/14/49/25/1033144925.db2.gz PFKRAPALVFRKEO-VIFPVBQESA-N 0 1 375.690 3.829 20 5 GHBDMN CN(C(=O)c1cccc(Cl)c1[N+](=O)[O-])C1CCN(CCC(F)(F)F)CC1 ZINC000837185231 1024205208 /nfs/dbraw/zinc/20/52/08/1024205208.db2.gz VMMBQGQFQCISOJ-UHFFFAOYSA-N 0 1 393.793 3.737 20 5 GHBDMN CC[C@@](C)(CN1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)OC ZINC001205015960 1033208377 /nfs/dbraw/zinc/20/83/77/1033208377.db2.gz OUSBICUVGDYNSW-INIZCTEOSA-N 0 1 375.391 3.551 20 5 GHBDMN CC(=O)Nc1ccc(NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)cc1C ZINC001141414981 1024948943 /nfs/dbraw/zinc/94/89/43/1024948943.db2.gz CHWROJXYAHFYDZ-UHFFFAOYSA-N 0 1 379.376 3.504 20 5 GHBDMN CN(C)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1F)c1cccc(C(F)(F)F)c1 ZINC000832303293 1025427226 /nfs/dbraw/zinc/42/72/26/1025427226.db2.gz YQZJZGNLNDXRQT-MRXNPFEDSA-N 0 1 399.344 3.785 20 5 GHBDMN C[C@@H]1[C@@H](C)N(Cc2ccccc2)[C@@H](C)CN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC001164480233 1026522876 /nfs/dbraw/zinc/52/28/76/1026522876.db2.gz OZOISILQTDCBGL-ARFHVFGLSA-N 0 1 385.439 3.857 20 5 GHBDMN Cc1cnc(N2CC(c3ncn4cc(-c5ccoc5)ccc34)C2)c([N+](=O)[O-])c1 ZINC001166495239 1027014015 /nfs/dbraw/zinc/01/40/15/1027014015.db2.gz HVEDVAYKUKSYKW-UHFFFAOYSA-N 0 1 375.388 3.810 20 5 GHBDMN CNc1ccc(C(=O)N2CCN(Cc3ccccc3)[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC001166807621 1027088750 /nfs/dbraw/zinc/08/87/50/1027088750.db2.gz RGCTWJZXUHNODA-NRFANRHFSA-N 0 1 396.491 3.619 20 5 GHBDMN CCOC(=O)c1c(Nc2ccc(O)c([N+](=O)[O-])c2)sc2c1CCCC2=O ZINC001210392459 1027484766 /nfs/dbraw/zinc/48/47/66/1027484766.db2.gz DODZYHDFLGMWTE-UHFFFAOYSA-N 0 1 376.390 3.801 20 5 GHBDMN CCOC(=O)Cc1ccc(Nc2ccc(O)c([N+](=O)[O-])c2)c(Br)c1 ZINC001210398283 1027488319 /nfs/dbraw/zinc/48/83/19/1027488319.db2.gz UMTIFDKAMZOAPW-UHFFFAOYSA-N 0 1 395.209 3.912 20 5 GHBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)N[C@@H](c1ccc(F)cc1)C1CCCCC1 ZINC001213395913 1028162022 /nfs/dbraw/zinc/16/20/22/1028162022.db2.gz RSUREIIGQVTFNH-QGZVFWFLSA-N 0 1 393.440 3.729 20 5 GHBDMN Cc1cc([C@@H](OC(=O)[C@@H]2CC2[N+](=O)[O-])C(F)(F)F)ccc1Br ZINC000841201743 1028272552 /nfs/dbraw/zinc/27/25/52/1028272552.db2.gz VIHGDTUQNPVJSE-FBIMIBRVSA-N 0 1 382.132 3.569 20 5 GHBDMN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC001142379651 1028785634 /nfs/dbraw/zinc/78/56/34/1028785634.db2.gz VONHKJIKUZWLPZ-UHFFFAOYSA-N 0 1 381.476 3.778 20 5 GHBDMN Cc1ccc([N+](=O)[O-])c(C)c1CNc1ccc(Cl)c(CN(C)CCO)c1 ZINC001461460455 1069559639 /nfs/dbraw/zinc/55/96/39/1069559639.db2.gz POFCLUAHEDTGQR-UHFFFAOYSA-N 0 1 377.872 3.901 20 5 GHBDMN CN1CCN(c2cccc(-c3noc(-c4ccc([N+](=O)[O-])c(Cl)c4)n3)c2)CC1 ZINC001215800194 1029397253 /nfs/dbraw/zinc/39/72/53/1029397253.db2.gz VRBQZRFZFQRBNI-UHFFFAOYSA-N 0 1 399.838 3.717 20 5 GHBDMN COC(=O)c1ccc(CO[C@@H]2CCCN([C@@H](C)c3ccccn3)C2)c([N+](=O)[O-])c1 ZINC001223414966 1030566235 /nfs/dbraw/zinc/56/62/35/1030566235.db2.gz UFFPGHLJIOXDPA-MAUKXSAKSA-N 0 1 399.447 3.519 20 5 GHBDMN C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1Oc1c([N+](=O)[O-])cc(F)cc1[N+](=O)[O-] ZINC001225887140 1031675227 /nfs/dbraw/zinc/67/52/27/1031675227.db2.gz VAOPJTKXNJECEN-ACJLOTCBSA-N 0 1 389.383 3.932 20 5 GHBDMN C[C@H]1CCN(Cc2ccccc2)C[C@H]1Oc1n[nH]c(=O)c2ccc([N+](=O)[O-])cc21 ZINC001229361886 1033438669 /nfs/dbraw/zinc/43/86/69/1033438669.db2.gz PPAOHFZYPYWZAQ-IFXJQAMLSA-N 0 1 394.431 3.533 20 5 GHBDMN COc1cc(OC)cc(-c2noc(-c3cc(-c4ccc([N+](=O)[O-])cc4)n[nH]3)n2)c1 ZINC001213008639 1033599085 /nfs/dbraw/zinc/59/90/85/1033599085.db2.gz VODJGKHBJFQWHV-UHFFFAOYSA-N 0 1 393.359 3.719 20 5 GHBDMN C[C@@H](c1ccccn1)N1CCC[C@H](Oc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC001231056489 1034369845 /nfs/dbraw/zinc/36/98/45/1034369845.db2.gz SSJVBVMDDMSFAT-GJZGRUSLSA-N 0 1 379.420 3.537 20 5 GHBDMN Cc1cc(O)c([N+](=O)[O-])c(O[C@H]2CCC[C@]23CCN(C(=O)OC(C)(C)C)C3)n1 ZINC001231258791 1034490018 /nfs/dbraw/zinc/49/00/18/1034490018.db2.gz CNFUUPZXOUGCBR-IFXJQAMLSA-N 0 1 393.440 3.562 20 5 GHBDMN CC[C@@H](Oc1nc(C)cc(O)c1[N+](=O)[O-])c1cc(OC)c(OC)c(OC)c1 ZINC001231262347 1034491418 /nfs/dbraw/zinc/49/14/18/1034491418.db2.gz FSSJOWNXMRCVJW-CYBMUJFWSA-N 0 1 378.381 3.560 20 5 GHBDMN Cc1cc(O)c([N+](=O)[O-])c(O[C@H]2CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)n1 ZINC001231265134 1034492536 /nfs/dbraw/zinc/49/25/36/1034492536.db2.gz YXOFDFJCSYXCKT-ZDUSSCGKSA-N 0 1 393.440 3.705 20 5 GHBDMN COC(=O)c1nc(Cl)nc(N[C@@H](c2ccccc2)C(F)(F)F)c1[N+](=O)[O-] ZINC001159762943 1034735263 /nfs/dbraw/zinc/73/52/63/1034735263.db2.gz CTVUFDFBHOVOOZ-JTQLQIEISA-N 0 1 390.705 3.540 20 5 GHBDMN O=[N+]([O-])c1cc(-c2ccc(NCCN3CCC(F)(F)CC3)nn2)ccc1Cl ZINC001160753403 1035057519 /nfs/dbraw/zinc/05/75/19/1035057519.db2.gz DDVWJAKRMUIMTA-UHFFFAOYSA-N 0 1 397.813 3.848 20 5 GHBDMN CC(C)Oc1ccc2c(c1)oc1ccc(C(=O)N3C[C@H](C)N[C@@H](C)C3)cc1c2=O ZINC001161239314 1035187997 /nfs/dbraw/zinc/18/79/97/1035187997.db2.gz YVAPDDCBXBWJCQ-GJZGRUSLSA-N 0 1 394.471 3.556 20 5 GHBDMN C[C@H](Cc1ccccc1[N+](=O)[O-])NC1(c2ccc(Br)cc2)COC1 ZINC001254538179 1040309080 /nfs/dbraw/zinc/30/90/80/1040309080.db2.gz QRIYFDQCWQLILK-CYBMUJFWSA-N 0 1 391.265 3.804 20 5 GHBDMN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC[C@@H](C)N(C(=O)OC(C)(C)C)CC1 ZINC001254552297 1040321421 /nfs/dbraw/zinc/32/14/21/1040321421.db2.gz KCGKYNPRDZSLCH-HZPDHXFCSA-N 0 1 377.485 3.857 20 5 GHBDMN C[C@H](Cc1ccccc1[N+](=O)[O-])N1C[C@@H](NC(=O)OC(C)(C)C)CC[C@H]1C ZINC001254559207 1040330471 /nfs/dbraw/zinc/33/04/71/1040330471.db2.gz JQLICKRYAXNOOH-INMHGKMJSA-N 0 1 377.485 3.903 20 5 GHBDMN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001254564407 1040338030 /nfs/dbraw/zinc/33/80/30/1040338030.db2.gz LRGSCERHONBIEH-INMHGKMJSA-N 0 1 377.485 3.761 20 5 GHBDMN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1C[C@H](C)C[C@H](NC(=O)OC(C)(C)C)C1 ZINC001254563977 1040339278 /nfs/dbraw/zinc/33/92/78/1040339278.db2.gz HNSKTYLUTDPXBW-VYDXJSESSA-N 0 1 377.485 3.761 20 5 GHBDMN CCOC(=O)c1ccc(N2CCN([C@@H](C)Cc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC001254566274 1040342132 /nfs/dbraw/zinc/34/21/32/1040342132.db2.gz SFHNCXHQJMNEOW-KRWDZBQOSA-N 0 1 397.475 3.525 20 5 GHBDMN O=C(NCc1cc(F)cc(NCCc2ccc([N+](=O)[O-])cc2)c1)C(F)(F)F ZINC001462485607 1070294983 /nfs/dbraw/zinc/29/49/83/1070294983.db2.gz RKAYOBKMCSPPND-UHFFFAOYSA-N 0 1 385.317 3.567 20 5 GHBDMN C[C@@H]1CN(CCc2nnc(-c3cc4c(cccc4[N+](=O)[O-])s3)o2)C[C@H](C)O1 ZINC001258037444 1044365155 /nfs/dbraw/zinc/36/51/55/1044365155.db2.gz XKWZNTVUZQAXHL-TXEJJXNPSA-N 0 1 388.449 3.511 20 5 GHBDMN C[C@@H]1CN(CCc2nnc(-c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)o2)C[C@@H](C)O1 ZINC001258118083 1044405506 /nfs/dbraw/zinc/40/55/06/1044405506.db2.gz ANRHWGBFZDCUDK-ZIAGYGMSSA-N 0 1 398.419 3.557 20 5 GHBDMN CCC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2NC)CCN1Cc1ccccc1 ZINC001295601431 1045066021 /nfs/dbraw/zinc/06/60/21/1045066021.db2.gz RSPJEWHGTLVYBE-LJQANCHMSA-N 0 1 396.491 3.763 20 5 GHBDMN O=C(N[C@@H]1CCc2nc(C3CCCCC3)[nH]c2C1)c1cc([N+](=O)[O-])ccc1F ZINC001297051903 1045436161 /nfs/dbraw/zinc/43/61/61/1045436161.db2.gz WROPMWUKJYQPMS-CYBMUJFWSA-N 0 1 386.427 3.792 20 5 GHBDMN Cc1ccc(-c2n[nH]c(NC(=O)c3cc([N+](=O)[O-])c(N(C)C)cc3F)c2C)o1 ZINC001298969358 1045992300 /nfs/dbraw/zinc/99/23/00/1045992300.db2.gz DOHLSZISQKBWNF-UHFFFAOYSA-N 0 1 387.371 3.652 20 5 GHBDMN CN(C)C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1N)c1ccc(Cl)c(Cl)c1 ZINC001302171998 1046853078 /nfs/dbraw/zinc/85/30/78/1046853078.db2.gz NKDPWILCPCCNNA-AWEZNQCLSA-N 0 1 397.262 3.517 20 5 GHBDMN O=C(Nc1nnc(Cc2ccccc2F)s1)c1c(F)cccc1[N+](=O)[O-] ZINC001265092903 1047553745 /nfs/dbraw/zinc/55/37/45/1047553745.db2.gz KZTABXFTJIKZAL-UHFFFAOYSA-N 0 1 376.344 3.568 20 5 GHBDMN Cc1ccc(CN2CC[C@H](Oc3cncc(Br)c3)C2)cc1[N+](=O)[O-] ZINC001307882866 1049664605 /nfs/dbraw/zinc/66/46/05/1049664605.db2.gz RYHSJFBNPOWWRW-HNNXBMFYSA-N 0 1 392.253 3.714 20 5 GHBDMN C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC001290893713 1049946017 /nfs/dbraw/zinc/94/60/17/1049946017.db2.gz HPHHQXKDKGAMBD-HNNXBMFYSA-N 0 1 383.448 3.605 20 5 GHBDMN O=[N+]([O-])c1ccc(CN2CCC[C@H](c3nc4ccccc4[nH]3)C2)c([N+](=O)[O-])c1 ZINC001327716163 1050260533 /nfs/dbraw/zinc/26/05/33/1050260533.db2.gz HZVHWIBGXFFFKF-AWEZNQCLSA-N 0 1 381.392 3.759 20 5 GHBDMN Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2Cl)ccc1N1CCN(C)CC1 ZINC001331520413 1051310575 /nfs/dbraw/zinc/31/05/75/1051310575.db2.gz MFMAHIXSXLGGBM-UHFFFAOYSA-N 0 1 388.855 3.561 20 5 GHBDMN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc([C@H]2CN3CCC2CC3)no1 ZINC001320496218 1055842672 /nfs/dbraw/zinc/84/26/72/1055842672.db2.gz QEUGEMSMKGJBIL-GWCFXTLKSA-N 0 1 378.816 3.580 20 5 GHBDMN Cc1cc(C2CCN(Cc3ccc([N+](=O)[O-])cc3Br)CC2)[nH]n1 ZINC001320530659 1055862356 /nfs/dbraw/zinc/86/23/56/1055862356.db2.gz ACSUETFGXOPWQA-UHFFFAOYSA-N 0 1 379.258 3.768 20 5 GHBDMN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC001320876731 1055996716 /nfs/dbraw/zinc/99/67/16/1055996716.db2.gz QLKWBAXVJARPPO-LLVKDONJSA-N 0 1 393.875 3.728 20 5 GHBDMN CN(Cc1nc2ccc(C(F)(F)F)cc2[nH]1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC001300670043 1056817214 /nfs/dbraw/zinc/81/72/14/1056817214.db2.gz NXSXMLFGLSFDHX-UHFFFAOYSA-N 0 1 392.337 3.691 20 5 GHBDMN CN(Cc1nc2ccc(C(F)(F)F)cc2[nH]1)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC001300669946 1056817385 /nfs/dbraw/zinc/81/73/85/1056817385.db2.gz MLAINYHUVJSRJA-UHFFFAOYSA-N 0 1 396.300 3.901 20 5 GHBDMN COc1ccccc1[C@@H]1CCN(Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000848480610 1057117675 /nfs/dbraw/zinc/11/76/75/1057117675.db2.gz RJHQPBWWNZWJFS-MRXNPFEDSA-N 0 1 378.432 3.914 20 5 GHBDMN C[C@](O)(CNCc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C(F)(F)F ZINC001324503678 1057150828 /nfs/dbraw/zinc/15/08/28/1057150828.db2.gz WRUNAEDVWYCRJY-AWEZNQCLSA-N 0 1 378.734 3.911 20 5 GHBDMN COC(=O)CC1(NCc2ccc([N+](=O)[O-])cc2Br)CCCCC1 ZINC001325785987 1057363867 /nfs/dbraw/zinc/36/38/67/1057363867.db2.gz OHMPRVFFBVTSNF-UHFFFAOYSA-N 0 1 385.258 3.713 20 5 GHBDMN CN(Cc1cc(F)c(F)c(F)c1)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC001446846638 1059880864 /nfs/dbraw/zinc/88/08/64/1059880864.db2.gz SIYNMGRSCXUJMS-UHFFFAOYSA-N 0 1 390.321 3.674 20 5 GHBDMN Cc1ccc(-c2n[nH]c(NC(=O)CCC(=O)c3cccc([N+](=O)[O-])c3)c2C)o1 ZINC001450902894 1060712988 /nfs/dbraw/zinc/71/29/88/1060712988.db2.gz RIKFXKBEXTUWEJ-UHFFFAOYSA-N 0 1 382.376 3.796 20 5 GHBDMN CC(C)c1cc([C@H]2CCCN(C(=O)CCNc3ccccc3[N+](=O)[O-])C2)n[nH]1 ZINC001455460311 1062164671 /nfs/dbraw/zinc/16/46/71/1062164671.db2.gz BVOCOGGBIPZOGV-HNNXBMFYSA-N 0 1 385.468 3.650 20 5 GHBDMN CC(C)c1cc([C@H]2CCCN(C(=O)c3cc(Cl)c(N)c([N+](=O)[O-])c3)C2)n[nH]1 ZINC001455464238 1062166549 /nfs/dbraw/zinc/16/65/49/1062166549.db2.gz LATIBGVRZHVEOP-NSHDSACASA-N 0 1 391.859 3.697 20 5 GHBDMN CS[C@H]1CN(c2c(Cl)c(Cl)ccc2[N+](=O)[O-])C[C@@H]1N1CCCC1 ZINC001458325014 1063745347 /nfs/dbraw/zinc/74/53/47/1063745347.db2.gz COHLMBBJRHUZFT-STQMWFEESA-N 0 1 376.309 3.918 20 5 GHBDMN COc1ccc(CN(Cc2cn(C)nc2[N+](=O)[O-])C2CCCCC2)cc1OC ZINC001459785485 1064216729 /nfs/dbraw/zinc/21/67/29/1064216729.db2.gz JUGHCOPXUSBQLY-UHFFFAOYSA-N 0 1 388.468 3.680 20 5 GHBDMN O=C(NCc1cc([N+](=O)[O-])c(F)cc1F)c1cccc(C(F)(F)F)c1O ZINC001469453016 1068168985 /nfs/dbraw/zinc/16/89/85/1068168985.db2.gz FRLFFBIBFWNQSE-UHFFFAOYSA-N 0 1 376.237 3.527 20 5 GHBDMN CCOc1cc(CN2C[C@H](C(=O)OC(C)(C)C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC001460258730 1068889182 /nfs/dbraw/zinc/88/91/82/1068889182.db2.gz QYRTVIYJQRAZTH-GOEBONIOSA-N 0 1 378.469 3.793 20 5 GHBDMN CC(C)(NC[C@H](O)c1cccc([N+](=O)[O-])c1)c1nc2cc(Cl)ccc2o1 ZINC001460620714 1069036587 /nfs/dbraw/zinc/03/65/87/1069036587.db2.gz UDAVMNRCBWNGFQ-HNNXBMFYSA-N 0 1 375.812 3.948 20 5 GHBDMN Cc1ccc(CN2CC[C@@H](NC(=O)c3cc(Cl)c(F)c([N+](=O)[O-])c3)C2)cc1 ZINC001471316393 1073015568 /nfs/dbraw/zinc/01/55/68/1073015568.db2.gz RSSDDBKEVQJDST-OAHLLOKOSA-N 0 1 391.830 3.700 20 5 GHBDMN COC(=O)c1ccc2[nH]cc(C3CCN(Cc4cccnc4[N+](=O)[O-])CC3)c2c1 ZINC001473815143 1074157569 /nfs/dbraw/zinc/15/75/69/1074157569.db2.gz UZOMYVPFOCLENC-UHFFFAOYSA-N 0 1 394.431 3.637 20 5 GHBDMN CCc1ccc2c(c1)CCN(CCCn1c3cc([N+](=O)[O-])ccc3oc1=O)C2 ZINC001473900421 1074196754 /nfs/dbraw/zinc/19/67/54/1074196754.db2.gz ATBNZKGSWGDCGM-UHFFFAOYSA-N 0 1 381.432 3.514 20 5 GHBDMN O=C(NCC1(c2ccc(F)cc2)CCCC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000072010274 222204539 /nfs/dbraw/zinc/20/45/39/222204539.db2.gz QZODNVFVYADVDJ-UHFFFAOYSA-N 0 1 382.395 3.852 20 5 GHBDMN O=C([O-])[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1ccc(Br)cc1 ZINC000739499157 600406261 /nfs/dbraw/zinc/40/62/61/600406261.db2.gz GAEWUPGZTLVTJL-AWEZNQCLSA-N 0 1 399.628 3.926 20 5 GHBDMN C[N@@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000833694437 604644884 /nfs/dbraw/zinc/64/48/84/604644884.db2.gz QYVSFABBSRRUKS-OAHLLOKOSA-N 0 1 379.210 3.615 20 5 GHBDMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000833420005 605549300 /nfs/dbraw/zinc/54/93/00/605549300.db2.gz NBOCYEHABNIHNJ-LLVKDONJSA-N 0 1 385.258 3.680 20 5 GHBDMN CCOc1ccc([C@@H](C)N[C@H](C)c2ccc(-c3nn[nH]n3)cc2)cc1[N+](=O)[O-] ZINC000825632262 608493424 /nfs/dbraw/zinc/49/34/24/608493424.db2.gz NLSNMYCKSGGSRU-CHWSQXEVSA-N 0 1 382.424 3.585 20 5 GHBDMN Clc1ccc2ccc3ccc(N4CCN(C[C@H]5CCCO5)CC4)nc3c2n1 ZINC001165038606 721911040 /nfs/dbraw/zinc/91/10/40/721911040.db2.gz MOFQMGGHWSBKGM-QGZVFWFLSA-N 0 1 382.895 3.737 20 5 GHBDMN O=[N+]([O-])c1ccc([O-])cc1CN1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000580846469 837414975 /nfs/dbraw/zinc/41/49/75/837414975.db2.gz MQTPAZPCOLWPEY-GHTZIAJQSA-N 0 1 381.476 3.787 20 5 GHBDMN Cc1[nH]ncc1C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000573228966 834528095 /nfs/dbraw/zinc/52/80/95/834528095.db2.gz JBKQHROSWMIHFB-UHFFFAOYSA-N 0 1 382.342 3.665 20 5 GHBDMN CCCc1[nH]nc(C(=O)N(Cc2ccccc2Cl)CC2CC2)c1[N+](=O)[O-] ZINC000583517021 834553120 /nfs/dbraw/zinc/55/31/20/834553120.db2.gz YTULPEBYRLDXOE-UHFFFAOYSA-N 0 1 376.844 3.976 20 5 GHBDMN O=C(N[C@H]1CCCN(Cc2ccccc2)C1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000510072165 834868278 /nfs/dbraw/zinc/86/82/78/834868278.db2.gz UDVVCFUJWMWQHB-KRWDZBQOSA-N 0 1 379.416 3.735 20 5 GHBDMN CCN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H](COC)Cc1ccccc1 ZINC000472330441 834948899 /nfs/dbraw/zinc/94/88/99/834948899.db2.gz SFYOYENTGYOPEM-IBGZPJMESA-N 0 1 396.447 3.724 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CC[C@H](Cc2ccccc2)[C@H]1C ZINC000472333338 835048215 /nfs/dbraw/zinc/04/82/15/835048215.db2.gz BWJGSUKPZRKVDQ-SOLBZPMBSA-N 0 1 397.475 3.884 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N[C@@H](c1ccccc1)C(F)F ZINC000431614222 835208609 /nfs/dbraw/zinc/20/86/09/835208609.db2.gz MMPQAUSPAHSDEN-ZDUSSCGKSA-N 0 1 376.768 3.533 20 5 GHBDMN O=[N+]([O-])c1ccc(N2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)cc1C(F)(F)F ZINC000179598333 835895238 /nfs/dbraw/zinc/89/52/38/835895238.db2.gz ZMQOODHOFUGEEM-NSHDSACASA-N 0 1 381.358 3.993 20 5 GHBDMN O=[N+]([O-])c1ccc(N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)cc1C(F)(F)F ZINC000179598333 835895241 /nfs/dbraw/zinc/89/52/41/835895241.db2.gz ZMQOODHOFUGEEM-NSHDSACASA-N 0 1 381.358 3.993 20 5 GHBDMN CCOc1ccccc1[C@@H](CC)NCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000179755076 835967703 /nfs/dbraw/zinc/96/77/03/835967703.db2.gz CRVWYRJMZWEPPA-MRXNPFEDSA-N 0 1 387.436 3.682 20 5 GHBDMN O=C(OCc1nc2ccc(Br)cc2[nH]1)c1ccccc1[N+](=O)[O-] ZINC000780519564 836253795 /nfs/dbraw/zinc/25/37/95/836253795.db2.gz DGQQBVJMVXEQON-UHFFFAOYSA-N 0 1 376.166 3.591 20 5 GHBDMN C[C@@H]1CN(Cc2ccc(CNc3ccc([N+](=O)[O-])c(N)c3F)cc2)C[C@@H](C)O1 ZINC000471244444 836300361 /nfs/dbraw/zinc/30/03/61/836300361.db2.gz OIPHBLHQDDTTSH-ZIAGYGMSSA-N 0 1 388.443 3.537 20 5 GHBDMN COc1ccccc1[C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1C)N1CCCC1 ZINC000043348028 836654236 /nfs/dbraw/zinc/65/42/36/836654236.db2.gz OZWPXEWFULBAIZ-LJQANCHMSA-N 0 1 398.463 3.870 20 5 GHBDMN Cc1ccc([C@H](C)NC(=O)NC[C@@H](c2ccco2)N2CCCC2)cc1[N+](=O)[O-] ZINC000175553390 836679258 /nfs/dbraw/zinc/67/92/58/836679258.db2.gz LEBMGDIYELUMEB-YJBOKZPZSA-N 0 1 386.452 3.694 20 5 GHBDMN Cc1ccc(CN(C)C[C@@H](O)COc2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000510192952 836718124 /nfs/dbraw/zinc/71/81/24/836718124.db2.gz MMAACULVWVOLTK-MRXNPFEDSA-N 0 1 398.381 3.794 20 5 GHBDMN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000170912660 836935067 /nfs/dbraw/zinc/93/50/67/836935067.db2.gz CYEPYSUALARTGO-WBAXXEDZSA-N 0 1 399.447 3.598 20 5 GHBDMN O=[N+]([O-])c1cc2c(ncnc2N2CCC(c3ncc(C(F)(F)F)[nH]3)CC2)s1 ZINC000376396342 836943846 /nfs/dbraw/zinc/94/38/46/836943846.db2.gz ORFGHAUUWTXOOV-UHFFFAOYSA-N 0 1 398.370 3.725 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000181105044 837838048 /nfs/dbraw/zinc/83/80/48/837838048.db2.gz XHQOACSSSLGMRS-UHFFFAOYSA-N 0 1 391.334 3.739 20 5 GHBDMN Cc1ccc2[nH]cc(C(=O)N3CCS[C@H]3c3ccc([N+](=O)[O-])cc3)c(=O)c2c1 ZINC000578896874 838074352 /nfs/dbraw/zinc/07/43/52/838074352.db2.gz GCDZPHXTANHFKB-FQEVSTJZSA-N 0 1 395.440 3.633 20 5 GHBDMN CC[C@@H](C)c1nc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)n[nH]1 ZINC000412281508 838128806 /nfs/dbraw/zinc/12/88/06/838128806.db2.gz FYOVZTNCAOZOLZ-NEPJUHHUSA-N 0 1 375.429 3.505 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N(C)CC1(c2ccccc2)CC1 ZINC000189323008 838253436 /nfs/dbraw/zinc/25/34/36/838253436.db2.gz VHVKYKQXCJILND-HNNXBMFYSA-N 0 1 383.448 3.594 20 5 GHBDMN CC[C@@](C)(O)CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1C)Cc1ccccc1 ZINC000189731421 838390004 /nfs/dbraw/zinc/39/00/04/838390004.db2.gz FRAIUAPTJZBCSV-OAQYLSRUSA-N 0 1 385.464 3.505 20 5 GHBDMN CCN1CCC(NC(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)(C(F)(F)F)CC1 ZINC000891211337 838850160 /nfs/dbraw/zinc/85/01/60/838850160.db2.gz FDUXSSSUHUZADW-UHFFFAOYSA-N 0 1 393.793 3.703 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@H]1CCc1ccccc1 ZINC000053181982 839066469 /nfs/dbraw/zinc/06/64/69/839066469.db2.gz RCAMLDVZBGACNK-QGZVFWFLSA-N 0 1 383.448 3.639 20 5 GHBDMN Cc1c(CN[C@](C)(CO)c2ccc(Br)cc2)cccc1[N+](=O)[O-] ZINC000511573744 839518748 /nfs/dbraw/zinc/51/87/48/839518748.db2.gz JBBWTCPXYSMWCS-QGZVFWFLSA-N 0 1 379.254 3.663 20 5 GHBDMN Cc1ccc2nc([C@@H]3CCCN(C(=O)Cc4cccc([N+](=O)[O-])c4)C3)[nH]c2c1 ZINC000175833292 840103506 /nfs/dbraw/zinc/10/35/06/840103506.db2.gz UHYROHMWRHAHMD-MRXNPFEDSA-N 0 1 378.432 3.728 20 5 GHBDMN Cc1ccc(Sc2ccc(CN[C@H](C)C(=O)NCCF)cc2[N+](=O)[O-])cc1 ZINC000500424409 840457696 /nfs/dbraw/zinc/45/76/96/840457696.db2.gz DWKFODZQLXMUBM-CQSZACIVSA-N 0 1 391.468 3.618 20 5 GHBDMN Cc1ccc([N+](=O)[O-])c(C(=O)OCc2nc3ccc(Br)cc3[nH]2)c1 ZINC000780523349 840482353 /nfs/dbraw/zinc/48/23/53/840482353.db2.gz YDPVMUWLQYPSAL-UHFFFAOYSA-N 0 1 390.193 3.899 20 5 GHBDMN Cc1cc(N[C@@H](C)Cn2ncc3ccccc3c2=O)c2cc([N+](=O)[O-])ccc2n1 ZINC000302062000 861192313 /nfs/dbraw/zinc/19/23/13/861192313.db2.gz CSLGZKNAFCEJKW-AWEZNQCLSA-N 0 1 389.415 3.662 20 5 GHBDMN Cc1c(CN(Cc2ccccc2)[C@@H](C)CN2CCOCC2)cccc1[N+](=O)[O-] ZINC000111057233 840992613 /nfs/dbraw/zinc/99/26/13/840992613.db2.gz PRRGXZKRFJSGPN-SFHVURJKSA-N 0 1 383.492 3.626 20 5 GHBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN(Cc1ccccc1)C1(CO)CCCC1 ZINC000599433944 861205087 /nfs/dbraw/zinc/20/50/87/861205087.db2.gz NPPQVMDEUANELC-UHFFFAOYSA-N 0 1 397.475 3.649 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)c(OC[C@@H](O)CN2CCc3ccccc3C2)c(Cl)c1 ZINC000555544610 861211673 /nfs/dbraw/zinc/21/16/73/861211673.db2.gz VXYJRVVAACYRTL-HNNXBMFYSA-N 0 1 397.258 3.700 20 5 GHBDMN Cc1ccc(NC(=O)NC[C@@H]2CCC[N@H+](Cc3cc([O-])ccc3[N+](=O)[O-])C2)cc1 ZINC000092708760 841786934 /nfs/dbraw/zinc/78/69/34/841786934.db2.gz ZUOBOOVAXUTOJA-INIZCTEOSA-N 0 1 398.463 3.643 20 5 GHBDMN Cc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3cc([O-])ccc3[N+](=O)[O-])C2)cc1 ZINC000092708760 841786941 /nfs/dbraw/zinc/78/69/41/841786941.db2.gz ZUOBOOVAXUTOJA-INIZCTEOSA-N 0 1 398.463 3.643 20 5 GHBDMN CCN(CC)[C@@H](CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1ccco1 ZINC000109302228 841849787 /nfs/dbraw/zinc/84/97/87/841849787.db2.gz ORVDNQKSOCRJMF-SFHVURJKSA-N 0 1 386.452 3.575 20 5 GHBDMN CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CCCC[C@H]2CCO)cc1OC ZINC000541985236 842062499 /nfs/dbraw/zinc/06/24/99/842062499.db2.gz XSZICPJCHWRCRP-WBVHZDCISA-N 0 1 380.485 3.765 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(OCc2cccnc2)c1 ZINC000055632192 861274658 /nfs/dbraw/zinc/27/46/58/861274658.db2.gz ANHSZFATVHAGMT-UHFFFAOYSA-N 0 1 399.428 3.678 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2noc(CN3CCC[C@@H]3Cc3ccc(F)cc3)n2)cc1 ZINC000055908039 842288134 /nfs/dbraw/zinc/28/81/34/842288134.db2.gz SWJJICRHMDDIMM-GOSISDBHSA-N 0 1 382.395 3.991 20 5 GHBDMN COc1ccc2oc([C@H](C)NCC(=O)Nc3ccccc3[N+](=O)[O-])c(C)c2c1 ZINC000178206588 842479979 /nfs/dbraw/zinc/47/99/79/842479979.db2.gz LFLWGIWVNWVGHN-ZDUSSCGKSA-N 0 1 383.404 3.947 20 5 GHBDMN C[C@@H](NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)C(=O)NC(C)(C)C ZINC000101595770 842626376 /nfs/dbraw/zinc/62/63/76/842626376.db2.gz ZWZWHLHBBMPAKX-CYBMUJFWSA-N 0 1 389.427 3.919 20 5 GHBDMN Cn1nccc1[C@@H]1CCCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000510676441 843172324 /nfs/dbraw/zinc/17/23/24/843172324.db2.gz XSKIKXWKKSZRHI-OAHLLOKOSA-N 0 1 383.477 3.831 20 5 GHBDMN Cc1ccc(CN[C@@H]2CCCN([C@H](C)c3ccccc3F)C2=O)cc1[N+](=O)[O-] ZINC000555607342 861400373 /nfs/dbraw/zinc/40/03/73/861400373.db2.gz YXXXBRFXKBVNCN-DNVCBOLYSA-N 0 1 385.439 3.884 20 5 GHBDMN CCOc1cc(CN2CCC[C@@H](c3nnc4n3CCCCC4)C2)ccc1[N+](=O)[O-] ZINC000276886678 843639074 /nfs/dbraw/zinc/63/90/74/843639074.db2.gz JKZCEMVCGKKUGV-QGZVFWFLSA-N 0 1 399.495 3.691 20 5 GHBDMN CCCc1c(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cnn1-c1cccc(F)c1 ZINC000548460807 843753252 /nfs/dbraw/zinc/75/32/52/843753252.db2.gz WXVRHZCVBROUDI-UHFFFAOYSA-N 0 1 384.367 3.830 20 5 GHBDMN Cc1c(NC(=O)CCN2CC(c3nc4ccccc4s3)C2)cccc1[N+](=O)[O-] ZINC000535664992 843810891 /nfs/dbraw/zinc/81/08/91/843810891.db2.gz FSPIFWVFNWNCSL-UHFFFAOYSA-N 0 1 396.472 3.941 20 5 GHBDMN COC[C@H](NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000433209218 843872030 /nfs/dbraw/zinc/87/20/30/843872030.db2.gz QUDWARJQKPODHL-HKUYNNGSSA-N 0 1 390.411 3.810 20 5 GHBDMN CCc1c(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)[nH]nc1-c1ccncc1 ZINC000185806639 861535883 /nfs/dbraw/zinc/53/58/83/861535883.db2.gz LULYVWAWIRNFTI-LLVKDONJSA-N 0 1 383.383 3.824 20 5 GHBDMN Cn1ccnc1[C@@H](NC[C@H]1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000611560617 845382369 /nfs/dbraw/zinc/38/23/69/845382369.db2.gz DRQFHDHQTFLHRT-KKSFZXQISA-N 0 1 376.460 3.812 20 5 GHBDMN C[C@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccc(C(F)(F)F)cc1 ZINC000182432594 845441507 /nfs/dbraw/zinc/44/15/07/845441507.db2.gz MGOYFRUUHFDATF-LBPRGKRZSA-N 0 1 393.365 3.854 20 5 GHBDMN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000843812709 861568594 /nfs/dbraw/zinc/56/85/94/861568594.db2.gz YVDFGTHJUUQTFD-OAHLLOKOSA-N 0 1 385.439 3.779 20 5 GHBDMN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2NCc2ccsc2Br)n1 ZINC000511037360 845810817 /nfs/dbraw/zinc/81/08/17/845810817.db2.gz IOHQFCKKZIEIEM-NWDGAFQWSA-N 0 1 385.287 3.889 20 5 GHBDMN O=C(NCCNCc1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccc(F)cc1 ZINC000731452476 861651830 /nfs/dbraw/zinc/65/18/30/861651830.db2.gz ACNSHLNJKOZDFV-UHFFFAOYSA-N 0 1 383.379 3.514 20 5 GHBDMN C[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@H]2C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)o1 ZINC000502967916 846671186 /nfs/dbraw/zinc/67/11/86/846671186.db2.gz FIRXSBWXQAFEGN-SDJAHQOYSA-N 0 1 393.403 3.839 20 5 GHBDMN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000120016150 846728655 /nfs/dbraw/zinc/72/86/55/846728655.db2.gz ZQNXSYRZDWMTFF-MRXNPFEDSA-N 0 1 397.479 3.954 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000503186658 846894992 /nfs/dbraw/zinc/89/49/92/846894992.db2.gz LFRWLLWDZKJKSB-QGZVFWFLSA-N 0 1 379.420 3.726 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000503186658 846895001 /nfs/dbraw/zinc/89/50/01/846895001.db2.gz LFRWLLWDZKJKSB-QGZVFWFLSA-N 0 1 379.420 3.726 20 5 GHBDMN CC(C)c1nc([C@H]2CCCCCN2C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)no1 ZINC000501845417 847243844 /nfs/dbraw/zinc/24/38/44/847243844.db2.gz UUPIZOBCUCTTFL-OAHLLOKOSA-N 0 1 398.423 3.735 20 5 GHBDMN COc1ccc(NC(=O)CN2CCC[C@H]2Cc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000303604923 861807789 /nfs/dbraw/zinc/80/77/89/861807789.db2.gz OCLPCOCUPGWTLS-KRWDZBQOSA-N 0 1 383.448 3.557 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@]1(c2ccc(Cl)cc2)C[C@@H]1C ZINC000503412823 847677612 /nfs/dbraw/zinc/67/76/12/847677612.db2.gz PRMYQVYZHBJBIE-HXPMCKFVSA-N 0 1 389.839 3.720 20 5 GHBDMN COc1ccccc1C[C@@H]1CCCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000479931271 847953949 /nfs/dbraw/zinc/95/39/49/847953949.db2.gz XMPCLQHTXAHMIN-SFHVURJKSA-N 0 1 394.431 3.861 20 5 GHBDMN O=C([O-])Cc1ccc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000582788779 848375693 /nfs/dbraw/zinc/37/56/93/848375693.db2.gz NLHJYGDQJWKHIW-YQQQUEKLSA-N 0 1 395.459 3.829 20 5 GHBDMN COc1ccccc1[C@H](C)NC(=O)[C@@H](C)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178680376 848477139 /nfs/dbraw/zinc/47/71/39/848477139.db2.gz MLCBZDSFGYRKFW-HRCADAONSA-N 0 1 385.464 3.828 20 5 GHBDMN Cc1ccc([C@H](C)N[C@H](C)C(=O)NCc2ccccc2Cl)cc1[N+](=O)[O-] ZINC000178688479 848547728 /nfs/dbraw/zinc/54/77/28/848547728.db2.gz TYRHVSWDTDAMMP-UONOGXRCSA-N 0 1 375.856 3.912 20 5 GHBDMN Cc1ccc(NC(=O)NC(=O)[C@@H](C)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(C)c1 ZINC000178689874 848549344 /nfs/dbraw/zinc/54/93/44/848549344.db2.gz NSJVBTGHJSVLRI-HZPDHXFCSA-N 0 1 398.463 3.907 20 5 GHBDMN Cc1ccc2nc([C@H]3CCCN3C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)[nH]c2c1 ZINC000061234829 848583743 /nfs/dbraw/zinc/58/37/43/848583743.db2.gz BYZDLNMJVVRZCV-QGZVFWFLSA-N 0 1 395.375 3.665 20 5 GHBDMN O=C(NCc1nc2ccc(Cl)cc2[nH]1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000731889408 861934680 /nfs/dbraw/zinc/93/46/80/861934680.db2.gz IFESXOWSBCWKTR-UHFFFAOYSA-N 0 1 399.838 3.655 20 5 GHBDMN Cc1ccc(NC(=O)[C@H](c2ccccc2)N(C)C[C@@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000178776124 849066726 /nfs/dbraw/zinc/06/67/26/849066726.db2.gz NXMDXBGJGYPZBQ-JXFKEZNVSA-N 0 1 383.448 3.551 20 5 GHBDMN Cc1ccc(Sc2ccc(CN3CC[C@@]4(CNC(=O)C4)C3)cc2[N+](=O)[O-])cc1 ZINC000435054500 850027308 /nfs/dbraw/zinc/02/73/08/850027308.db2.gz CJNPXKJPDWRJEA-OAQYLSRUSA-N 0 1 397.500 3.766 20 5 GHBDMN COC(=O)c1ccc([N+](=O)[O-])c(S[C@@H]2CCCN(Cc3ccccc3)C2)n1 ZINC000425277242 850066820 /nfs/dbraw/zinc/06/68/20/850066820.db2.gz FDCRLLYWYVIUCM-OAHLLOKOSA-N 0 1 387.461 3.533 20 5 GHBDMN Cc1cnn(-c2ccc(C)cc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000435145811 850146479 /nfs/dbraw/zinc/14/64/79/850146479.db2.gz HEJAHUTZGQRFKB-UHFFFAOYSA-N 0 1 386.433 3.507 20 5 GHBDMN CN(C)[C@@H](CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccsc1 ZINC000437933400 850186809 /nfs/dbraw/zinc/18/68/09/850186809.db2.gz LEUBJZHYCYTNEN-SFHVURJKSA-N 0 1 388.493 3.633 20 5 GHBDMN Cc1nc([C@H]2CCCCN2Cc2ccc(Br)cc2[N+](=O)[O-])n[nH]1 ZINC000425416898 851013933 /nfs/dbraw/zinc/01/39/33/851013933.db2.gz HABYSDMKCFLSKY-CYBMUJFWSA-N 0 1 380.246 3.511 20 5 GHBDMN O=C(Nc1ncc(Cc2ccc(F)c(F)c2)s1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000505728497 851024039 /nfs/dbraw/zinc/02/40/39/851024039.db2.gz BQDNSEPHFRDGCN-UHFFFAOYSA-N 0 1 391.355 3.878 20 5 GHBDMN Cc1[nH]nc(C(=O)N2CCc3ccccc3[C@@H](c3ccccc3)[C@@H]2C)c1[N+](=O)[O-] ZINC000435959092 851024973 /nfs/dbraw/zinc/02/49/73/851024973.db2.gz BRKWOECHQOQAEB-HNAYVOBHSA-N 0 1 390.443 3.845 20 5 GHBDMN C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436132387 851241334 /nfs/dbraw/zinc/24/13/34/851241334.db2.gz ASLCXTFYLRKHRF-LSDHHAIUSA-N 0 1 395.478 3.671 20 5 GHBDMN C[C@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(Oc2cccnc2)cc1 ZINC000516210772 852293428 /nfs/dbraw/zinc/29/34/28/852293428.db2.gz YJSJUYFUPVGAMH-AWEZNQCLSA-N 0 1 392.415 3.732 20 5 GHBDMN COc1ccc(CN2CCC[C@H](c3nc(C(F)(F)F)cn3C)C2)cc1[N+](=O)[O-] ZINC000489680970 852528106 /nfs/dbraw/zinc/52/81/06/852528106.db2.gz DFHFBCZFDMNSKZ-ZDUSSCGKSA-N 0 1 398.385 3.735 20 5 GHBDMN O=[N+]([O-])c1ccc(OC(F)F)c(CN2CCN(CCc3cccs3)CC2)c1 ZINC000507087603 852552721 /nfs/dbraw/zinc/55/27/21/852552721.db2.gz QSDYANNAPIDALE-UHFFFAOYSA-N 0 1 397.447 3.618 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000490005100 852700955 /nfs/dbraw/zinc/70/09/55/852700955.db2.gz OPFUZKCQAFEIQJ-YOEHRIQHSA-N 0 1 386.427 3.999 20 5 GHBDMN O=[N+]([O-])c1cccc([C@@H](NC[C@@H](O)COc2ccc(F)cc2)c2ccccc2)c1 ZINC000490112810 852760566 /nfs/dbraw/zinc/76/05/66/852760566.db2.gz LNXGZHVKLHDTTA-IRLDBZIGSA-N 0 1 396.418 3.853 20 5 GHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000507315993 852775084 /nfs/dbraw/zinc/77/50/84/852775084.db2.gz STGXOOWHBJQCCR-GFCCVEGCSA-N 0 1 387.461 3.656 20 5 GHBDMN CN(C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccsc1 ZINC000437145148 852791602 /nfs/dbraw/zinc/79/16/02/852791602.db2.gz LGAADCKKHIMLKW-AWEZNQCLSA-N 0 1 387.383 3.708 20 5 GHBDMN CN(C)[C@H](CNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccsc1 ZINC000437145149 852792429 /nfs/dbraw/zinc/79/24/29/852792429.db2.gz LGAADCKKHIMLKW-CQSZACIVSA-N 0 1 387.383 3.708 20 5 GHBDMN CC(C)COc1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1 ZINC000490361726 852981596 /nfs/dbraw/zinc/98/15/96/852981596.db2.gz FYLNJCMSYCMATO-UHFFFAOYSA-N 0 1 381.392 3.667 20 5 GHBDMN O=C(N[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000437448502 853132963 /nfs/dbraw/zinc/13/29/63/853132963.db2.gz FHBVEGXCTUNDOU-YEORSEQZSA-N 0 1 380.322 3.995 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(NCc2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)c1 ZINC000518350220 853229814 /nfs/dbraw/zinc/22/98/14/853229814.db2.gz JCAMRJYRFWEQNU-HZPDHXFCSA-N 0 1 385.464 3.825 20 5 GHBDMN C[C@H](NC(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000518403011 853291042 /nfs/dbraw/zinc/29/10/42/853291042.db2.gz ZDFITTIDRHQEMD-TXPKVOOTSA-N 0 1 382.464 3.791 20 5 GHBDMN C[C@H](CCc1cccc(F)c1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000439194842 853399232 /nfs/dbraw/zinc/39/92/32/853399232.db2.gz YQBJGZZJZBVRED-GFCCVEGCSA-N 0 1 383.383 3.726 20 5 GHBDMN Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2NCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000185942781 862477207 /nfs/dbraw/zinc/47/72/07/862477207.db2.gz WBHRNHLXIHPQIM-VQTJNVASSA-N 0 1 388.489 3.778 20 5 GHBDMN Cc1sc(S(=O)(=O)Nc2ccc(Br)cc2F)cc1[N+](=O)[O-] ZINC000163921388 853626273 /nfs/dbraw/zinc/62/62/73/853626273.db2.gz OUDABZJZHWPOIR-UHFFFAOYSA-N 0 1 395.231 3.667 20 5 GHBDMN O=[N+]([O-])c1ccc2[nH]c(N3CCC(c4cc(-c5ccncc5)[nH]n4)CC3)nc2c1 ZINC000571106047 853746073 /nfs/dbraw/zinc/74/60/73/853746073.db2.gz VFELGXBBBOLELD-UHFFFAOYSA-N 0 1 389.419 3.640 20 5 GHBDMN C[C@@H](N[C@H](C)c1ccc(OC(F)F)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000044802668 853846654 /nfs/dbraw/zinc/84/66/54/853846654.db2.gz DKFMYOTVSXRUIP-VXGBXAGGSA-N 0 1 379.363 3.874 20 5 GHBDMN Cc1ccc(S(=O)(=O)Nc2nc(C)c(Cl)cc2Cl)c([N+](=O)[O-])c1 ZINC000481903504 862522095 /nfs/dbraw/zinc/52/20/95/862522095.db2.gz WGTYZDLNNLAZRN-UHFFFAOYSA-N 0 1 376.221 3.714 20 5 GHBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN(C)C[C@H]2CCCO[C@@H]2c2ccccc2)c1 ZINC000589499444 854911480 /nfs/dbraw/zinc/91/14/80/854911480.db2.gz QSTWWAHNXDYVNP-WIYYLYMNSA-N 0 1 398.459 3.981 20 5 GHBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cnc(C(F)(F)F)cc1C ZINC000589557709 855026370 /nfs/dbraw/zinc/02/63/70/855026370.db2.gz LGPNGLPRWQUTCC-UHFFFAOYSA-N 0 1 389.355 3.680 20 5 GHBDMN Cc1nc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)n[nH]1 ZINC000553617660 855156514 /nfs/dbraw/zinc/15/65/14/855156514.db2.gz JHLKDGUTYLJRRF-LLVKDONJSA-N 0 1 383.433 3.664 20 5 GHBDMN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1cccc(OC)c1)N(C)C ZINC000184655436 855469459 /nfs/dbraw/zinc/46/94/59/855469459.db2.gz NJOJSWBEVXNPTR-UTKZUKDTSA-N 0 1 399.491 3.591 20 5 GHBDMN COc1ccc([C@@H](C)N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c(C)c1OC ZINC000553960458 855706925 /nfs/dbraw/zinc/70/69/25/855706925.db2.gz AJBOYXZMEIUWIC-ZIAGYGMSSA-N 0 1 387.436 3.598 20 5 GHBDMN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCc1n[nH]c(COc2ccccc2)n1 ZINC000184775703 855828047 /nfs/dbraw/zinc/82/80/47/855828047.db2.gz HRRRVKLVSZFCBU-UHFFFAOYSA-N 0 1 393.325 3.923 20 5 GHBDMN CCOc1ccc(C(=O)NC[C@@H](c2cccs2)N2CCCC2)cc1[N+](=O)[O-] ZINC000032239029 855937978 /nfs/dbraw/zinc/93/79/78/855937978.db2.gz BRVMCZJXYDHBKV-INIZCTEOSA-N 0 1 389.477 3.622 20 5 GHBDMN Cc1ccc(C=Cc2n[nH]c(SCC(=O)Nc3c(C)cccc3[N+](=O)[O-])n2)o1 ZINC000591374617 855956445 /nfs/dbraw/zinc/95/64/45/855956445.db2.gz OIZWBPMFTLLHJW-HJWRWDBZSA-N 0 1 399.432 3.824 20 5 GHBDMN O=[N+]([O-])c1ccc2[nH]cc(Cc3noc(-c4ccc(-c5nnc[nH]5)cc4)n3)c2c1 ZINC000554818278 856180982 /nfs/dbraw/zinc/18/09/82/856180982.db2.gz XJYBLMITWXMBBZ-UHFFFAOYSA-N 0 1 387.359 3.502 20 5 GHBDMN COc1ccc(NC(=O)CCN2CCc3ccc([N+](=O)[O-])cc3C2)cc1Cl ZINC000485436250 856523669 /nfs/dbraw/zinc/52/36/69/856523669.db2.gz JAVQLOOOAOOTMW-UHFFFAOYSA-N 0 1 389.839 3.644 20 5 GHBDMN CCOc1cc(N2CCN(c3ccnc(C)c3Cl)CC2)ccc1[N+](=O)[O-] ZINC000507874545 856611375 /nfs/dbraw/zinc/61/13/75/856611375.db2.gz QFSGFYBJCILCED-UHFFFAOYSA-N 0 1 376.844 3.677 20 5 GHBDMN O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000173085322 856728874 /nfs/dbraw/zinc/72/88/74/856728874.db2.gz ZENKNZOJYKJEDD-LJQANCHMSA-N 0 1 387.867 3.744 20 5 GHBDMN CN(Cc1cc(Br)ccc1Cl)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000427781718 856731924 /nfs/dbraw/zinc/73/19/24/856731924.db2.gz IZCJFPVWPOBUMP-UHFFFAOYSA-N 0 1 399.628 3.989 20 5 GHBDMN CN(C)[C@H](CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cccc(F)c1 ZINC000173131505 856754262 /nfs/dbraw/zinc/75/42/62/856754262.db2.gz DFOMWQIACJLNMR-MRXNPFEDSA-N 0 1 399.344 3.785 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc2nc(-c3ccco3)[nH]c2c1 ZINC000427824450 856774326 /nfs/dbraw/zinc/77/43/26/856774326.db2.gz WECMSALNORPDRA-UHFFFAOYSA-N 0 1 378.344 3.992 20 5 GHBDMN O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3cc(Cl)nc4ccccc34)C2)nc1 ZINC000129080914 857151792 /nfs/dbraw/zinc/15/17/92/857151792.db2.gz DMAGABVBVHTXOU-CQSZACIVSA-N 0 1 383.839 3.878 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)c(-n2ccc(-c3nc([C@H]4CCCN4)no3)n2)c(Cl)c1 ZINC000592356670 857193788 /nfs/dbraw/zinc/19/37/88/857193788.db2.gz DITFFHLVPWSHQK-LLVKDONJSA-N 0 1 395.206 3.562 20 5 GHBDMN C[C@@H]1CCCC[N@H+]1Cc1ccc(CNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])cc1 ZINC000574086168 857217052 /nfs/dbraw/zinc/21/70/52/857217052.db2.gz ACTOFBUVEHEZGW-CQSZACIVSA-N 0 1 384.436 3.675 20 5 GHBDMN Cc1ccc(NC(=O)[C@H](c2ccccc2)N(C)C[C@H]2CCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000246173929 857264505 /nfs/dbraw/zinc/26/45/05/857264505.db2.gz CVEPUGPGCIVWEJ-QMMLZNLJSA-N 0 1 397.475 3.676 20 5 GHBDMN CC[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1nc(C(F)(F)F)cs1 ZINC000174857886 857397074 /nfs/dbraw/zinc/39/70/74/857397074.db2.gz KBLQZKKIFDPTSB-SECBINFHSA-N 0 1 399.354 3.828 20 5 GHBDMN CC(C)Oc1ccc([C@@H](C)N[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000520993128 857491756 /nfs/dbraw/zinc/49/17/56/857491756.db2.gz AEKNCVHSWNMXJS-QRWLVFNGSA-N 0 1 383.448 3.838 20 5 GHBDMN O=C(c1ccccc1Sc1ccccc1[N+](=O)[O-])N1CCN(CC2CC2)CC1 ZINC000442287000 857702289 /nfs/dbraw/zinc/70/22/89/857702289.db2.gz ALVFPMNSAVFLAX-UHFFFAOYSA-N 0 1 397.500 3.914 20 5 GHBDMN O=[N+]([O-])c1ccc(OCCN2CCC(Oc3cncc(Cl)c3)CC2)cc1 ZINC000521366349 857936774 /nfs/dbraw/zinc/93/67/74/857936774.db2.gz JJAOCEFGTCBQIQ-UHFFFAOYSA-N 0 1 377.828 3.565 20 5 GHBDMN CC[C@H](C)Oc1cccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2COC)c1 ZINC000594720200 858263493 /nfs/dbraw/zinc/26/34/93/858263493.db2.gz HUXCPSWRJAZYBK-ZDUSSCGKSA-N 0 1 394.449 3.719 20 5 GHBDMN CN(C)[C@H](CNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000059356542 858305263 /nfs/dbraw/zinc/30/52/63/858305263.db2.gz JZMYNJXJIVSTNT-MRXNPFEDSA-N 0 1 380.807 3.812 20 5 GHBDMN COc1ccc(-c2ccc(CNCc3ccc(N(C)C)nc3)o2)c([N+](=O)[O-])c1 ZINC000521819514 858353628 /nfs/dbraw/zinc/35/36/28/858353628.db2.gz OPPGREKZSJDRDM-UHFFFAOYSA-N 0 1 382.420 3.614 20 5 GHBDMN COc1cc(CNC[C@H]2CCC[C@H](C)O2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000594985309 858357479 /nfs/dbraw/zinc/35/74/79/858357479.db2.gz LDMKNHBHRIFHDG-WCQYABFASA-N 0 1 392.374 3.592 20 5 GHBDMN COc1cc(CN[C@H]2C[C@H](O)C23CCC3)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000594986731 858358961 /nfs/dbraw/zinc/35/89/61/858358961.db2.gz HBMOXJWNOCGPTL-SFTDATJTSA-N 0 1 398.459 3.576 20 5 GHBDMN CCOc1ccc([C@H](C)N[C@@H]2CCCN(C3CCCCC3)C2=O)cc1[N+](=O)[O-] ZINC000443096982 858375847 /nfs/dbraw/zinc/37/58/47/858375847.db2.gz VQWQRQFIXSACBE-MAUKXSAKSA-N 0 1 389.496 3.968 20 5 GHBDMN Cn1ccnc1[C@@H](NC1CCC2(CC2(F)F)CC1)c1cccc([N+](=O)[O-])c1 ZINC000595097911 858404773 /nfs/dbraw/zinc/40/47/73/858404773.db2.gz NDKFVLQHVMWUHF-HQVVEAJESA-N 0 1 376.407 3.975 20 5 GHBDMN CCN(CC)[C@H](CN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000575189682 858597620 /nfs/dbraw/zinc/59/76/20/858597620.db2.gz QIMIRTIFDNRBTD-QUCCMNQESA-N 0 1 397.479 3.683 20 5 GHBDMN CN(c1ccccc1)[C@H]1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000595828514 858701223 /nfs/dbraw/zinc/70/12/23/858701223.db2.gz TXCCYGZAURWLBB-FQEVSTJZSA-N 0 1 378.432 3.961 20 5 GHBDMN COC(=O)c1cnc([C@H]2CCCN(Cc3cccc([N+](=O)[O-])c3C)C2)s1 ZINC000595913661 858718258 /nfs/dbraw/zinc/71/82/58/858718258.db2.gz JDEWNUPPTQRBGS-AWEZNQCLSA-N 0 1 375.450 3.526 20 5 GHBDMN COC(=O)c1cnc([C@H]2CCCN([C@@H](C)c3ccccc3[N+](=O)[O-])C2)s1 ZINC000595921084 858735017 /nfs/dbraw/zinc/73/50/17/858735017.db2.gz SSDRALNVKKNXFX-STQMWFEESA-N 0 1 375.450 3.779 20 5 GHBDMN COc1cc(N2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596178862 858798490 /nfs/dbraw/zinc/79/84/90/858798490.db2.gz STJVSDKGGKHIKW-LLVKDONJSA-N 0 1 377.832 3.636 20 5 GHBDMN COc1cc(N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596178862 858798498 /nfs/dbraw/zinc/79/84/98/858798498.db2.gz STJVSDKGGKHIKW-LLVKDONJSA-N 0 1 377.832 3.636 20 5 GHBDMN O=[N+]([O-])c1cccc(Br)c1N1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000596178753 858814771 /nfs/dbraw/zinc/81/47/71/858814771.db2.gz SCEQSXKKKFIDCP-NSHDSACASA-N 0 1 392.257 3.737 20 5 GHBDMN O=[N+]([O-])c1cccc(Br)c1N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000596178753 858814777 /nfs/dbraw/zinc/81/47/77/858814777.db2.gz SCEQSXKKKFIDCP-NSHDSACASA-N 0 1 392.257 3.737 20 5 GHBDMN COc1ccc(-c2nc(CN[C@H](C)Cc3ccc(OC)cc3[N+](=O)[O-])co2)cc1 ZINC001170319251 881350898 /nfs/dbraw/zinc/35/08/98/881350898.db2.gz VZFZGZJAQGGRJX-CQSZACIVSA-N 0 1 397.431 3.988 20 5 GHBDMN O=C(CCOc1ccccc1[N+](=O)[O-])Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1 ZINC000068198710 858933607 /nfs/dbraw/zinc/93/36/07/858933607.db2.gz DWDDPFXUTFQWJJ-SFHVURJKSA-N 0 1 396.403 3.730 20 5 GHBDMN Cc1cc(F)cc(C(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000760593618 859197075 /nfs/dbraw/zinc/19/70/75/859197075.db2.gz VUHNUIDLPDOCQK-GOSISDBHSA-N 0 1 385.439 3.779 20 5 GHBDMN O=[N+]([O-])c1cc(CN2CC[C@H](Cn3ccnn3)C2)ccc1Oc1ccc(F)cc1 ZINC000597173097 859335067 /nfs/dbraw/zinc/33/50/67/859335067.db2.gz DWQNLWCCFPCZTN-INIZCTEOSA-N 0 1 397.410 3.640 20 5 GHBDMN COc1cc(CN2C[C@@H]3COC[C@]3(C)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000597209907 859349253 /nfs/dbraw/zinc/34/92/53/859349253.db2.gz FMUVEUUDJYGHNU-GCJKJVERSA-N 0 1 398.459 3.651 20 5 GHBDMN CN(C)C(=O)N(C)[C@H]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000597224599 859374656 /nfs/dbraw/zinc/37/46/56/859374656.db2.gz MCMYUDUFACGJOX-AWEZNQCLSA-N 0 1 388.493 3.511 20 5 GHBDMN CCN(CC)[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)c1ccco1 ZINC000117770117 859616015 /nfs/dbraw/zinc/61/60/15/859616015.db2.gz UKQJLOGHCGBZCJ-MRXNPFEDSA-N 0 1 379.844 3.583 20 5 GHBDMN CCOC(=O)CCC1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000611172209 859633358 /nfs/dbraw/zinc/63/33/58/859633358.db2.gz RDPWKIAMAXIWGF-UHFFFAOYSA-N 0 1 387.436 3.805 20 5 GHBDMN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(c2nc[nH]n2)CC1 ZINC000611479071 859776501 /nfs/dbraw/zinc/77/65/01/859776501.db2.gz DJDABEOXVBZXCK-UHFFFAOYSA-N 0 1 389.481 3.625 20 5 GHBDMN COc1cc(CN2CC[C@@H](c3ccco3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000611518490 859797016 /nfs/dbraw/zinc/79/70/16/859797016.db2.gz GKUYPBMRABYQCX-GFCCVEGCSA-N 0 1 382.363 3.830 20 5 GHBDMN CC[C@@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1C)c1ccccc1OCC(=O)NC ZINC000611517091 859797036 /nfs/dbraw/zinc/79/70/36/859797036.db2.gz YCWRHUIEGFRNOH-DNVCBOLYSA-N 0 1 385.464 3.830 20 5 GHBDMN CC[C@@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1C)c1ccccc1OCC(=O)NC ZINC000611517092 859797090 /nfs/dbraw/zinc/79/70/90/859797090.db2.gz YCWRHUIEGFRNOH-HNAYVOBHSA-N 0 1 385.464 3.830 20 5 GHBDMN Cc1c([C@@H](C)N[C@H](Cc2ccccc2)C(=O)N2CCCC2)cccc1[N+](=O)[O-] ZINC000131058933 859819347 /nfs/dbraw/zinc/81/93/47/859819347.db2.gz AJLDWDOVMODKHJ-YLJYHZDGSA-N 0 1 381.476 3.788 20 5 GHBDMN COC(=O)COc1ccc(CN[C@@H]2CCc3c2cccc3Cl)cc1[N+](=O)[O-] ZINC000474359032 859921807 /nfs/dbraw/zinc/92/18/07/859921807.db2.gz ZFTPVQISXDWVJJ-MRXNPFEDSA-N 0 1 390.823 3.577 20 5 GHBDMN COC(=O)c1cc([N+](=O)[O-])c(NC[C@H](c2ccsc2)N(C)C)cc1Cl ZINC000765467531 859983124 /nfs/dbraw/zinc/98/31/24/859983124.db2.gz XSRDXDQPSMZMRK-OAHLLOKOSA-N 0 1 383.857 3.811 20 5 GHBDMN C[N@@H+](Cc1ccc2nc(NC(=O)c3ccc([O-])c([N+](=O)[O-])c3)sc2c1)C1CC1 ZINC000598031521 860012196 /nfs/dbraw/zinc/01/21/96/860012196.db2.gz YNPJXBJKRGKPPI-UHFFFAOYSA-N 0 1 398.444 3.757 20 5 GHBDMN CN(CC1CN(C)C1)C(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000598164049 860089446 /nfs/dbraw/zinc/08/94/46/860089446.db2.gz SQFOPSJKXUQJBC-UHFFFAOYSA-N 0 1 389.839 3.674 20 5 GHBDMN CC1(C)[C@H](NCc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)[C@H]2CCCO[C@H]21 ZINC001170387529 881503488 /nfs/dbraw/zinc/50/34/88/881503488.db2.gz UCESCIAHLUBWAL-DAXOMENPSA-N 0 1 392.843 3.591 20 5 GHBDMN NC(=O)c1ccc(CN2Cc3ccccc3[C@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000025458368 860177134 /nfs/dbraw/zinc/17/71/34/860177134.db2.gz AAHDKQJERRJIPP-NRFANRHFSA-N 0 1 387.439 3.841 20 5 GHBDMN O=C(N[C@@H]1CCCc2cn[nH]c21)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000484750296 860321159 /nfs/dbraw/zinc/32/11/59/860321159.db2.gz JEBVUQWUZIEZBX-QGZVFWFLSA-N 0 1 377.404 3.869 20 5 GHBDMN Cc1nsc(N2CCCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)CC2)n1 ZINC000093716865 860336107 /nfs/dbraw/zinc/33/61/07/860336107.db2.gz WBWKBGUEQVADBG-UHFFFAOYSA-N 0 1 399.476 3.727 20 5 GHBDMN COc1cc(-c2nc3cccnc3n2Cc2ccccc2)cc([N+](=O)[O-])c1O ZINC000155204217 860439173 /nfs/dbraw/zinc/43/91/73/860439173.db2.gz LIOQPOLRQSULRC-UHFFFAOYSA-N 0 1 376.372 3.769 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2nc(CNC[C@]3(CO)CCc4ccccc43)cs2)c1 ZINC000593652629 860704075 /nfs/dbraw/zinc/70/40/75/860704075.db2.gz IOLWPWMKKAYYDP-NRFANRHFSA-N 0 1 395.484 3.684 20 5 GHBDMN Cc1ccc(CC[N@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@H]2CCCO2)cc1 ZINC000593738794 861119522 /nfs/dbraw/zinc/11/95/22/861119522.db2.gz YVKSAWDCYHAHTK-HXUWFJFHSA-N 0 1 398.459 3.825 20 5 GHBDMN Cc1c(NC(=O)[C@@H](C)N2CC[C@@H](COCc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000444162987 863570021 /nfs/dbraw/zinc/57/00/21/863570021.db2.gz AJRMYWYVNOIYGF-IEBWSBKVSA-N 0 1 397.475 3.769 20 5 GHBDMN O=[N+]([O-])c1cccc2c1CCN(C[C@@H](O)Cc1ccccc1C(F)(F)F)C2 ZINC000153054495 881693445 /nfs/dbraw/zinc/69/34/45/881693445.db2.gz CSIANTSWLKBYLC-HNNXBMFYSA-N 0 1 380.366 3.575 20 5 GHBDMN O=[N+]([O-])c1cccc2c1CCN(C[C@H](O)Cc1ccccc1C(F)(F)F)C2 ZINC000153054589 881694176 /nfs/dbraw/zinc/69/41/76/881694176.db2.gz CSIANTSWLKBYLC-OAHLLOKOSA-N 0 1 380.366 3.575 20 5 GHBDMN CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC000043137001 864159127 /nfs/dbraw/zinc/15/91/27/864159127.db2.gz PRZAIYCIHHZLTA-GOSISDBHSA-N 0 1 386.452 3.556 20 5 GHBDMN CC(C)[C@@H](NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000792876053 881764799 /nfs/dbraw/zinc/76/47/99/881764799.db2.gz KMVMEAVMVSCODC-LJQANCHMSA-N 0 1 387.392 3.761 20 5 GHBDMN O=[N+]([O-])c1ccc(CN[C@@H](CN2CCCCC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000792875719 881765051 /nfs/dbraw/zinc/76/50/51/881765051.db2.gz JCYCENCEBIUIPQ-IBGZPJMESA-N 0 1 384.436 3.820 20 5 GHBDMN Cc1[nH]nc(C(=O)N2CCC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)c1[N+](=O)[O-] ZINC000440098505 865976673 /nfs/dbraw/zinc/97/66/73/865976673.db2.gz ONOPHHUSZGLMPF-NSHDSACASA-N 0 1 399.234 3.617 20 5 GHBDMN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC(=Cc2cccc(F)c2)CC1 ZINC000575401504 866135985 /nfs/dbraw/zinc/13/59/85/866135985.db2.gz HUPYROIONNJLHX-IBGZPJMESA-N 0 1 386.423 3.653 20 5 GHBDMN COCC[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC000456307742 866398645 /nfs/dbraw/zinc/39/86/45/866398645.db2.gz YGVQFLWDKWPAFR-INIZCTEOSA-N 0 1 398.337 3.827 20 5 GHBDMN CN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000444690793 867070854 /nfs/dbraw/zinc/07/08/54/867070854.db2.gz VNGVNLOJLREKGK-BEFAXECRSA-N 0 1 384.411 3.962 20 5 GHBDMN Cc1cc(S(=O)(=O)Nc2ccc(OC(F)F)c(Cl)c2)ccc1[N+](=O)[O-] ZINC000523726822 867839521 /nfs/dbraw/zinc/83/95/21/867839521.db2.gz QCXMFQBOSFYATD-UHFFFAOYSA-N 0 1 392.767 3.959 20 5 GHBDMN COC1(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)CCC(c2ccccc2)CC1 ZINC000553678382 867905874 /nfs/dbraw/zinc/90/58/74/867905874.db2.gz QQZVDNMCTFRJML-UHFFFAOYSA-N 0 1 384.432 3.773 20 5 GHBDMN CCCN(C(=O)c1cc([N+](=O)[O-])cnc1C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000195366641 882171047 /nfs/dbraw/zinc/17/10/47/882171047.db2.gz XKCMCDKCHVXIFI-LJQANCHMSA-N 0 1 396.491 3.815 20 5 GHBDMN COc1ccc([C@H](C)NCC(=O)Nc2ccc([N+](=O)[O-])cc2C)c(C)c1OC ZINC000553960128 868501947 /nfs/dbraw/zinc/50/19/47/868501947.db2.gz VRQVCIULAPVJNV-AWEZNQCLSA-N 0 1 387.436 3.518 20 5 GHBDMN CC[C@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000524126498 868575117 /nfs/dbraw/zinc/57/51/17/868575117.db2.gz VXCNCNCTVNRJFY-ZDUSSCGKSA-N 0 1 390.795 3.956 20 5 GHBDMN Cn1cc([N+](=O)[O-])cc1C(=O)OCCN(Cc1ccccc1)Cc1ccccc1 ZINC000744203836 868661282 /nfs/dbraw/zinc/66/12/82/868661282.db2.gz UROUPZCIHOCXFE-UHFFFAOYSA-N 0 1 393.443 3.793 20 5 GHBDMN CC(C)c1ccc(CN2CCC(CN=[S@](C)(=O)N(C)C)CC2)cc1[N+](=O)[O-] ZINC000898398068 868812596 /nfs/dbraw/zinc/81/25/96/868812596.db2.gz ATALTHCRXTVUGG-MHZLTWQESA-N 0 1 396.557 3.505 20 5 GHBDMN Cc1sc(Br)cc1S(=O)(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000122207204 869020331 /nfs/dbraw/zinc/02/03/31/869020331.db2.gz RWFCLZDEUBDPJV-UHFFFAOYSA-N 0 1 391.268 3.836 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@H]1CCCc2occc21 ZINC000462458642 869490056 /nfs/dbraw/zinc/49/00/56/869490056.db2.gz JYULNBXPSIYXAH-NSHDSACASA-N 0 1 391.232 3.851 20 5 GHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC3)c(Br)c1 ZINC000446985905 870811522 /nfs/dbraw/zinc/81/15/22/870811522.db2.gz CHJWSYRYZHSLQD-UHFFFAOYSA-N 0 1 397.250 3.647 20 5 GHBDMN C[C@@H](C(=O)Nc1nc2ccc(Br)cc2[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000617739615 870842358 /nfs/dbraw/zinc/84/23/58/870842358.db2.gz QSGQUTXPKPLHJK-SECBINFHSA-N 0 1 389.209 3.976 20 5 GHBDMN Cc1cccc(C(=O)N2CCC[C@H](c3nnc(-c4ccccc4)[nH]3)C2)c1[N+](=O)[O-] ZINC000181357100 870914236 /nfs/dbraw/zinc/91/42/36/870914236.db2.gz QHULCAGAIJOSKF-INIZCTEOSA-N 0 1 391.431 3.708 20 5 GHBDMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000447062625 870944207 /nfs/dbraw/zinc/94/42/07/870944207.db2.gz CBPPACVLRCUQTE-UHFFFAOYSA-N 0 1 395.257 3.650 20 5 GHBDMN C[C@@H](NCc1cc(Br)c2c(c1)OCCO2)c1ccc([N+](=O)[O-])cc1 ZINC000539082750 871276988 /nfs/dbraw/zinc/27/69/88/871276988.db2.gz GUNCSBVMCVTRIB-LLVKDONJSA-N 0 1 393.237 3.979 20 5 GHBDMN COc1ccc(S(=O)(=O)Nc2ccc(-c3ccco3)cc2F)c([N+](=O)[O-])c1 ZINC000447261855 871280494 /nfs/dbraw/zinc/28/04/94/871280494.db2.gz BIBGAWJRMHBNQE-UHFFFAOYSA-N 0 1 392.364 3.803 20 5 GHBDMN C[C@@H](N[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1cccnc1 ZINC000181639191 871318469 /nfs/dbraw/zinc/31/84/69/871318469.db2.gz SUTNJVTXCQEEBQ-OLZOCXBDSA-N 0 1 397.460 3.791 20 5 GHBDMN O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N[C@@H]1c2ccccc2CC[C@H]1F ZINC001194047162 871462822 /nfs/dbraw/zinc/46/28/22/871462822.db2.gz WOIUZUANEBKOAP-CZUORRHYSA-N 0 1 384.816 3.552 20 5 GHBDMN CCCOc1ccc(CNC(=O)CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000181824253 871526886 /nfs/dbraw/zinc/52/68/86/871526886.db2.gz OGPSLUVLCQILNE-MRXNPFEDSA-N 0 1 385.464 3.659 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@H](C)c1cccc(F)c1F ZINC000182001617 871714950 /nfs/dbraw/zinc/71/49/50/871714950.db2.gz QIDBNROOOAAQKX-LLVKDONJSA-N 0 1 379.363 3.561 20 5 GHBDMN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000182165620 871938061 /nfs/dbraw/zinc/93/80/61/871938061.db2.gz DBTBELWRUYPTRC-KNQAVFIVSA-N 0 1 396.418 3.853 20 5 GHBDMN O=[N+]([O-])c1ccc2[nH]c(N3CCC[C@H]3c3n[nH]c(-c4ccccc4)n3)nc2c1 ZINC000447688743 872121611 /nfs/dbraw/zinc/12/16/11/872121611.db2.gz HXTGMOIQWXEOGO-INIZCTEOSA-N 0 1 375.392 3.598 20 5 GHBDMN O=[N+]([O-])c1ccc2[nH]c(N3CCC[C@H]3c3nc(-c4ccccc4)n[nH]3)nc2c1 ZINC000447688743 872121624 /nfs/dbraw/zinc/12/16/24/872121624.db2.gz HXTGMOIQWXEOGO-INIZCTEOSA-N 0 1 375.392 3.598 20 5 GHBDMN CN(C)[C@@H]1CCOc2c(NC(=O)CSc3ccccc3[N+](=O)[O-])cccc21 ZINC000447723907 872212418 /nfs/dbraw/zinc/21/24/18/872212418.db2.gz SBYYGFZSGXUJJA-OAHLLOKOSA-N 0 1 387.461 3.711 20 5 GHBDMN C[C@H](CN1CCC(C)CC1)NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000618986182 872216090 /nfs/dbraw/zinc/21/60/90/872216090.db2.gz VLSNOYBFTOPANQ-MRXNPFEDSA-N 0 1 377.488 3.532 20 5 GHBDMN CC(C)Oc1cccc([C@@H](C)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000182399799 872283912 /nfs/dbraw/zinc/28/39/12/872283912.db2.gz ZXHPMYMDSPYMOJ-OAHLLOKOSA-N 0 1 392.477 3.507 20 5 GHBDMN O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000540850265 872315991 /nfs/dbraw/zinc/31/59/91/872315991.db2.gz DANLJZWZIAGDEC-AWEZNQCLSA-N 0 1 395.394 3.539 20 5 GHBDMN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000448029982 872754507 /nfs/dbraw/zinc/75/45/07/872754507.db2.gz RIOHRBYTICOUDA-QRWLVFNGSA-N 0 1 382.464 3.825 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000192019590 882704608 /nfs/dbraw/zinc/70/46/08/882704608.db2.gz GNNBLKCULQQSCT-IEBWSBKVSA-N 0 1 389.839 3.615 20 5 GHBDMN CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CCCN2Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC001197167521 873633837 /nfs/dbraw/zinc/63/38/37/873633837.db2.gz IEYNEPWRWVWVCX-DOTOQJQBSA-N 0 1 393.459 3.955 20 5 GHBDMN COc1cc(CN2CCOC[C@H](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000769454975 874080595 /nfs/dbraw/zinc/08/05/95/874080595.db2.gz CAGYMLYOQWSJGW-MRXNPFEDSA-N 0 1 386.448 3.651 20 5 GHBDMN CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000775836716 874333131 /nfs/dbraw/zinc/33/31/31/874333131.db2.gz IJTKHRPCBICBRF-NQYYFHDYSA-N 0 1 390.480 3.603 20 5 GHBDMN CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000775836717 874333461 /nfs/dbraw/zinc/33/34/61/874333461.db2.gz IJTKHRPCBICBRF-WNHJNPCNSA-N 0 1 390.480 3.603 20 5 GHBDMN CC(C)(C)OC(=O)NCC[C@H]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001198319126 874350718 /nfs/dbraw/zinc/35/07/18/874350718.db2.gz QJUGJVSCNCTCIL-ZDUSSCGKSA-N 0 1 383.876 3.985 20 5 GHBDMN CCN(CC)CC(=O)Nc1cccc(N[C@@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000449332528 874716255 /nfs/dbraw/zinc/71/62/55/874716255.db2.gz RWBHYAMNPADUQU-INIZCTEOSA-N 0 1 384.480 3.918 20 5 GHBDMN COc1cc(CN(C)[C@H]2C[C@H](OC)C23CCC3)c([N+](=O)[O-])cc1OC(F)F ZINC000449627813 875149954 /nfs/dbraw/zinc/14/99/54/875149954.db2.gz AUGMDTWPPMYNMM-HOTGVXAUSA-N 0 1 386.395 3.594 20 5 GHBDMN O=[N+]([O-])c1ccc(CCNCc2cn(-c3ccc(Cl)c(Cl)c3)nn2)cc1 ZINC000542318734 875361132 /nfs/dbraw/zinc/36/11/32/875361132.db2.gz ZGDSHGJVGPYMRK-UHFFFAOYSA-N 0 1 392.246 3.815 20 5 GHBDMN CC[C@H](c1ccncc1)N(CC)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000449973851 875739355 /nfs/dbraw/zinc/73/93/55/875739355.db2.gz SFXYCBXDZWASIX-LJQANCHMSA-N 0 1 379.420 3.993 20 5 GHBDMN O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@H](O)c2cc(F)cc(Cl)c2)c1 ZINC000785614085 876147513 /nfs/dbraw/zinc/14/75/13/876147513.db2.gz IWTWLTCZJASWMG-AWEZNQCLSA-N 0 1 390.745 3.812 20 5 GHBDMN C[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000785868489 876314434 /nfs/dbraw/zinc/31/44/34/876314434.db2.gz GOAXLXFVEXVQRO-OAHLLOKOSA-N 0 1 399.495 3.753 20 5 GHBDMN O=C(Nc1nnc(Cc2ccccc2F)s1)c1cc(F)ccc1[N+](=O)[O-] ZINC000108206967 876443769 /nfs/dbraw/zinc/44/37/69/876443769.db2.gz GPPKHUYEDYVSFK-UHFFFAOYSA-N 0 1 376.344 3.568 20 5 GHBDMN CC1(C)[C@H](C(F)(F)F)CCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000451271352 877688835 /nfs/dbraw/zinc/68/88/35/877688835.db2.gz DPIBVAMKQWXHDL-CQSZACIVSA-N 0 1 382.342 3.788 20 5 GHBDMN CC(C)(C)OC(=O)CC1(NCc2cc(Cl)ccc2[N+](=O)[O-])CCOCC1 ZINC000852180582 878125718 /nfs/dbraw/zinc/12/57/18/878125718.db2.gz RFAZJSKPDWTPCU-UHFFFAOYSA-N 0 1 384.860 3.619 20 5 GHBDMN C[C@H](C(=O)N1CCc2sccc2C1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451550827 878129806 /nfs/dbraw/zinc/12/98/06/878129806.db2.gz SEJVRGVFWWIBTO-NVXWUHKLSA-N 0 1 399.516 3.809 20 5 GHBDMN Cc1c(NC(=O)NC[C@H](c2ccc(Cl)cc2)N(C)C)cccc1[N+](=O)[O-] ZINC000530598493 878150422 /nfs/dbraw/zinc/15/04/22/878150422.db2.gz JBIUCSVQXQIQBY-QGZVFWFLSA-N 0 1 376.844 3.981 20 5 GHBDMN O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3cnc(-c4ccsc4)s3)C2)nc1 ZINC000093534435 912321791 /nfs/dbraw/zinc/32/17/91/912321791.db2.gz OIPPKUXOTJTPPL-CYBMUJFWSA-N 0 1 387.490 3.861 20 5 GHBDMN Cc1ccc(OC(F)F)c(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000093534808 912322376 /nfs/dbraw/zinc/32/23/76/912322376.db2.gz HLXSNKBQPMKIGT-AWEZNQCLSA-N 0 1 378.379 3.586 20 5 GHBDMN COc1cc(Br)ccc1CN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788762426 878300127 /nfs/dbraw/zinc/30/01/27/878300127.db2.gz GYGTYEULSNYLTD-JTQLQIEISA-N 0 1 380.242 3.799 20 5 GHBDMN C[C@@H]1[C@H](C)N(C)CCN1C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000537808456 878322127 /nfs/dbraw/zinc/32/21/27/878322127.db2.gz ASOCYEDNEWBNAW-LSDHHAIUSA-N 0 1 385.489 3.911 20 5 GHBDMN Cc1c([C@H](C)NCCOc2ccc([N+](=O)[O-])cc2)nnn1-c1ccc(C)cc1 ZINC000537967186 878639286 /nfs/dbraw/zinc/63/92/86/878639286.db2.gz XMMLEWQVXTVEAP-HNNXBMFYSA-N 0 1 381.436 3.522 20 5 GHBDMN O=[N+]([O-])c1ccc2nc(NCC3(N4CCOCC4)CCCCC3)sc2c1 ZINC000111103386 878825681 /nfs/dbraw/zinc/82/56/81/878825681.db2.gz NVAQXHDVLADFAU-UHFFFAOYSA-N 0 1 376.482 3.652 20 5 GHBDMN C[C@H](N[C@@H](C)c1ccccc1OC(F)F)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000538145847 878896500 /nfs/dbraw/zinc/89/65/00/878896500.db2.gz QTIVVDSOVZMNBG-RYUDHWBXSA-N 0 1 379.363 3.874 20 5 GHBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(C(=O)NCCc2cccs2)CC1 ZINC000068827627 879079184 /nfs/dbraw/zinc/07/91/84/879079184.db2.gz GPHDAPBNFVELFH-HNNXBMFYSA-N 0 1 387.505 3.788 20 5 GHBDMN CC1(C)CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)[C@H]1c1ccncc1 ZINC000452398493 879388679 /nfs/dbraw/zinc/38/86/79/879388679.db2.gz ANLMJSYPXUUKAT-SFHVURJKSA-N 0 1 377.404 3.603 20 5 GHBDMN CN(C)[C@H]1CCOc2c(NC(=O)c3ccc([N+](=O)[O-])c(Cl)c3)cccc21 ZINC000790239638 879540980 /nfs/dbraw/zinc/54/09/80/879540980.db2.gz UOYITYOWUFDITB-HNNXBMFYSA-N 0 1 375.812 3.886 20 5 GHBDMN Cc1cc([N+](=O)[O-])cc(C(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)c1F ZINC000790812083 879985722 /nfs/dbraw/zinc/98/57/22/879985722.db2.gz CYHZHXXFXATWDV-QGZVFWFLSA-N 0 1 385.439 3.779 20 5 GHBDMN O=C1[C@@H](NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C[C@H]2CCCCN12 ZINC000453614491 881152620 /nfs/dbraw/zinc/15/26/20/881152620.db2.gz FCBJADCFMSCDMH-AEFFLSMTSA-N 0 1 399.422 3.769 20 5 GHBDMN Cc1ccc(NC(=O)[C@H](N[C@]2(C)CCO[C@@H]2C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000494231147 881303600 /nfs/dbraw/zinc/30/36/00/881303600.db2.gz PINJVPDOGMTWBP-QFIXIFRTSA-N 0 1 383.448 3.740 20 5 GHBDMN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCS[C@H](c2ccccc2)C1 ZINC000609800870 883664073 /nfs/dbraw/zinc/66/40/73/883664073.db2.gz ULCYNJRQEOOHBS-IBGZPJMESA-N 0 1 399.472 3.683 20 5 GHBDMN O=C(Nc1cc(Cl)c(O)cc1F)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000805257017 883722162 /nfs/dbraw/zinc/72/21/62/883722162.db2.gz NRTIHIRAVBVWKY-UHFFFAOYSA-N 0 1 379.775 3.945 20 5 GHBDMN O=C(CN[C@@H](CCO)c1ccc(Cl)cc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000805822370 884136020 /nfs/dbraw/zinc/13/60/20/884136020.db2.gz RPKHYLCQGYBFSJ-HNNXBMFYSA-N 0 1 398.246 3.553 20 5 GHBDMN C[C@@H](NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2n1C(F)F ZINC000914795405 884834065 /nfs/dbraw/zinc/83/40/65/884834065.db2.gz PWYRLJPSPOMCAW-BZNIZROVSA-N 0 1 376.363 3.724 20 5 GHBDMN CCC(=O)c1ccc(Cl)c(NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c1 ZINC000475839287 885059882 /nfs/dbraw/zinc/05/98/82/885059882.db2.gz VXQFWPIWQDRVER-UHFFFAOYSA-N 0 1 386.788 3.781 20 5 GHBDMN O=C1[C@H](N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCN1Cc1ccc(F)cc1 ZINC000193353797 885670131 /nfs/dbraw/zinc/67/01/31/885670131.db2.gz KMPGFPAVBGCCKB-VQTJNVASSA-N 0 1 383.423 3.502 20 5 GHBDMN CC[C@H](NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(Cl)s1 ZINC000542555959 885674297 /nfs/dbraw/zinc/67/42/97/885674297.db2.gz IDLVYOKNUKPKGK-VIFPVBQESA-N 0 1 397.840 3.718 20 5 GHBDMN CC[C@@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)N1CCc2ccccc2C1 ZINC000032446053 886544548 /nfs/dbraw/zinc/54/45/48/886544548.db2.gz RILNKEAKZGALHN-SFHVURJKSA-N 0 1 399.516 3.640 20 5 GHBDMN COC[C@@H]1CCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000556908964 886642968 /nfs/dbraw/zinc/64/29/68/886642968.db2.gz OBXHAYKQSYDHBY-LBPRGKRZSA-N 0 1 381.226 3.838 20 5 GHBDMN CCN(CC)[C@@H](CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000272541949 887665513 /nfs/dbraw/zinc/66/55/13/887665513.db2.gz PDVBSWNWLVLKFJ-AZUAARDMSA-N 0 1 397.479 3.683 20 5 GHBDMN Cc1ccc([C@H](C)NC(=O)c2ccc(CN3CCSCC3)cc2)cc1[N+](=O)[O-] ZINC000488066949 888591170 /nfs/dbraw/zinc/59/11/70/888591170.db2.gz IDDVJZQIHXSOEG-INIZCTEOSA-N 0 1 399.516 3.943 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@H](C)c1ccc(Cl)cc1 ZINC000032810717 888931707 /nfs/dbraw/zinc/93/17/07/888931707.db2.gz XZZANKWWJGFDGB-NEPJUHHUSA-N 0 1 377.828 3.935 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@H](C)c1ccc(Cl)cc1 ZINC000032810712 888932309 /nfs/dbraw/zinc/93/23/09/888932309.db2.gz XZZANKWWJGFDGB-RYUDHWBXSA-N 0 1 377.828 3.935 20 5 GHBDMN CCOc1ccc(NC(=O)CN(CC)CCc2cccs2)c([N+](=O)[O-])c1 ZINC000532939510 889340507 /nfs/dbraw/zinc/34/05/07/889340507.db2.gz YYVIIBSQLKZPAF-UHFFFAOYSA-N 0 1 377.466 3.558 20 5 GHBDMN CCO[C@@H]1C[C@@H](NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])[C@@]12CCCO2 ZINC000811490079 889640481 /nfs/dbraw/zinc/64/04/81/889640481.db2.gz LYHDHLQAUNYHRI-FMKPAKJESA-N 0 1 375.252 3.718 20 5 GHBDMN Cc1ccc([C@H](C)NCC(=O)Nc2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000533202406 889990473 /nfs/dbraw/zinc/99/04/73/889990473.db2.gz HRBOZPDBRLZFLS-LBPRGKRZSA-N 0 1 392.253 3.955 20 5 GHBDMN CSc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1ccc(CS(C)(=O)=O)cc1 ZINC000872024475 891122475 /nfs/dbraw/zinc/12/24/75/891122475.db2.gz AXFCMFDVELSKJY-ZDUSSCGKSA-N 0 1 394.518 3.712 20 5 GHBDMN CSc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H](C)Cn1ncc2ccccc2c1=O ZINC000872053705 891132354 /nfs/dbraw/zinc/13/23/54/891132354.db2.gz ZIHWFSDODRSDIA-KBPBESRZSA-N 0 1 398.488 3.766 20 5 GHBDMN CN(C)[C@H](CNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1ccsc1 ZINC000813406437 891584995 /nfs/dbraw/zinc/58/49/95/891584995.db2.gz LIWYKRGKLCLSII-CYBMUJFWSA-N 0 1 388.276 3.996 20 5 GHBDMN COc1ccc(-c2ccc(CN[C@@H]3CCCc4c3cnn4C)o2)c([N+](=O)[O-])c1 ZINC000237424632 891700508 /nfs/dbraw/zinc/70/05/08/891700508.db2.gz PYKBBGUUAFEWHP-QGZVFWFLSA-N 0 1 382.420 3.764 20 5 GHBDMN O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N[C@@H](c1ccccc1)C(F)F ZINC000814285457 892491203 /nfs/dbraw/zinc/49/12/03/892491203.db2.gz INSQYOXYKASDMO-ZDUSSCGKSA-N 0 1 376.768 3.533 20 5 GHBDMN COC[C@H](c1ccc(Cl)cc1)N(C)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000428607325 892665671 /nfs/dbraw/zinc/66/56/71/892665671.db2.gz OBFGGVRKFYJOMI-CYBMUJFWSA-N 0 1 380.832 3.554 20 5 GHBDMN C/C(=C/c1ccc(F)cc1)C(=O)Nc1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC001134416295 892828340 /nfs/dbraw/zinc/82/83/40/892828340.db2.gz UIVLIDYAMOHTLL-SQFISAMPSA-N 0 1 398.438 3.528 20 5 GHBDMN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(CN(C)C)c(F)c1 ZINC000154643004 893124425 /nfs/dbraw/zinc/12/44/25/893124425.db2.gz KYKBVBNRIZYCJV-CYBMUJFWSA-N 0 1 391.468 3.593 20 5 GHBDMN CCO[C@@H]1C[C@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H]1Sc1ccccc1 ZINC000459513533 893671862 /nfs/dbraw/zinc/67/18/62/893671862.db2.gz RWZKFYQOYAVKAR-NLWGTHIKSA-N 0 1 398.488 3.899 20 5 GHBDMN CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](c1ccc(Cl)cc1)N(C)C ZINC001137123045 893728824 /nfs/dbraw/zinc/72/88/24/893728824.db2.gz CRNONBLYQXSCRO-MRXNPFEDSA-N 0 1 391.855 3.680 20 5 GHBDMN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1cccc(OC(C)(C)C)n1 ZINC000536845216 893921208 /nfs/dbraw/zinc/92/12/08/893921208.db2.gz KUTCFWDPANTFDZ-AWEZNQCLSA-N 0 1 386.452 3.674 20 5 GHBDMN COc1ccc(CN2C[C@@H]3C[C@H]2CS3)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000459744210 894170439 /nfs/dbraw/zinc/17/04/39/894170439.db2.gz DFTKTJGTDVWYOB-ROUUACIJSA-N 0 1 386.473 3.872 20 5 GHBDMN CN(C)[C@@H](CNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000778301757 894183584 /nfs/dbraw/zinc/18/35/84/894183584.db2.gz KFVACKSFKGJXII-INIZCTEOSA-N 0 1 397.809 3.759 20 5 GHBDMN CCC[N@@H+](C)[C@H](CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000565035949 895361768 /nfs/dbraw/zinc/36/17/68/895361768.db2.gz NGPLBVJXMOFCQB-MRXNPFEDSA-N 0 1 392.843 3.836 20 5 GHBDMN Cc1csc([C@H]2CCN([C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)n1 ZINC000880007537 895445572 /nfs/dbraw/zinc/44/55/72/895445572.db2.gz JCBOCFOAKXQWJO-JSGCOSHPSA-N 0 1 385.449 3.960 20 5 GHBDMN C[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccc(C(F)(F)F)nc1Cl ZINC000817873928 895944147 /nfs/dbraw/zinc/94/41/47/895944147.db2.gz AEAIZRDOSDKEIW-SSDOTTSWSA-N 0 1 389.717 3.859 20 5 GHBDMN O=[N+]([O-])c1ccc(Cl)c(CNC[C@@H](O)COCc2ccc(Cl)cc2)c1 ZINC000819149688 896404935 /nfs/dbraw/zinc/40/49/35/896404935.db2.gz KUXIIUDQZDVJBV-MRXNPFEDSA-N 0 1 385.247 3.569 20 5 GHBDMN O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC001136219164 896702724 /nfs/dbraw/zinc/70/27/24/896702724.db2.gz LPILLIHDBAQATM-QGZVFWFLSA-N 0 1 389.839 3.521 20 5 GHBDMN C[C@@H](NCc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc2c(c1)CCC(=O)N2 ZINC000289408076 914175431 /nfs/dbraw/zinc/17/54/31/914175431.db2.gz HKOPLUNEZNEVND-LLVKDONJSA-N 0 1 391.374 3.932 20 5 GHBDMN CC(C)(C)c1ccc(-c2nc([C@@H]3CN4CCC[C@]4(C)CO3)no2)cc1[N+](=O)[O-] ZINC000569530002 898751720 /nfs/dbraw/zinc/75/17/20/898751720.db2.gz FXKOXVKIZXHPBW-OXJNMPFZSA-N 0 1 386.452 3.868 20 5 GHBDMN COc1cc(CNCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc(OC)c1O ZINC000289665751 914287634 /nfs/dbraw/zinc/28/76/34/914287634.db2.gz MDJMCNUOTIUSLJ-UHFFFAOYSA-N 0 1 386.326 3.626 20 5 GHBDMN CCc1nc2c(s1)[C@H](N(C)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])CCC2 ZINC000331428952 898883508 /nfs/dbraw/zinc/88/35/08/898883508.db2.gz ITMPWTACUUZDOT-LLVKDONJSA-N 0 1 377.470 3.610 20 5 GHBDMN Cc1cc([N+](=O)[O-])c(F)c(C(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)c1F ZINC000823268329 898929975 /nfs/dbraw/zinc/92/99/75/898929975.db2.gz HZYFSWHADJWWRX-HIFRSBDPSA-N 0 1 389.402 3.747 20 5 GHBDMN COc1cc(CNC[C@H]2CC[C@@H](C)O2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC001202690791 899325138 /nfs/dbraw/zinc/32/51/38/899325138.db2.gz DGHHPRFALXUBST-CRAIPNDOSA-N 0 1 386.448 3.840 20 5 GHBDMN C[C@@H](c1ccc(Br)cc1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000332446850 899676275 /nfs/dbraw/zinc/67/62/75/899676275.db2.gz KOUQOLNMBPZEOL-LBPRGKRZSA-N 0 1 379.258 3.952 20 5 GHBDMN CC(=O)c1cc(NCCCN2CCN(C)C[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000571067832 899733112 /nfs/dbraw/zinc/73/31/12/899733112.db2.gz OCQTYXNVQWLMLI-QFIPXVFZSA-N 0 1 396.491 3.588 20 5 GHBDMN O=C([O-])/C=C\c1ccc(NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000844209864 900603792 /nfs/dbraw/zinc/60/37/92/900603792.db2.gz YCOWJKJBZKYUDF-YPLUBFQTSA-N 0 1 381.432 3.627 20 5 GHBDMN O=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000136519763 900694942 /nfs/dbraw/zinc/69/49/42/900694942.db2.gz SUJSJHVDLYGSQV-UHFFFAOYSA-N 0 1 391.830 3.782 20 5 GHBDMN Cn1ccnc1[C@H](NC[C@]1(C)CCOC2(CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000886776324 901267617 /nfs/dbraw/zinc/26/76/17/901267617.db2.gz CLIZAHJLXJTNJA-UYAOXDASSA-N 0 1 384.480 3.747 20 5 GHBDMN O=C(CCN1CC(c2nc3ccccc3s2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000577402106 902743148 /nfs/dbraw/zinc/74/31/48/902743148.db2.gz BOTSPBJGLCMQAX-UHFFFAOYSA-N 0 1 382.445 3.633 20 5 GHBDMN O=C([O-])/C=C/c1ccc(OCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000846236535 902810229 /nfs/dbraw/zinc/81/02/29/902810229.db2.gz MFGOHQBPDRYDAO-LFYBBSHMSA-N 0 1 382.416 3.736 20 5 GHBDMN O=C(Nc1cccc(CN2CCSCC2)c1)c1c(F)cccc1[N+](=O)[O-] ZINC000601022243 903236330 /nfs/dbraw/zinc/23/63/30/903236330.db2.gz HYRCHQUQRQBFFO-UHFFFAOYSA-N 0 1 375.425 3.535 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1-c1noc(-c2[nH]cnc2C(=O)c2ccccc2)n1 ZINC000577898795 903321830 /nfs/dbraw/zinc/32/18/30/903321830.db2.gz PEHHUPIVGQHGNW-UHFFFAOYSA-N 0 1 375.344 3.574 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1-c1noc(-c2nc[nH]c2C(=O)c2ccccc2)n1 ZINC000577898795 903321839 /nfs/dbraw/zinc/32/18/39/903321839.db2.gz PEHHUPIVGQHGNW-UHFFFAOYSA-N 0 1 375.344 3.574 20 5 GHBDMN C[C@](CO)(NCc1cccc(OCC(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC000601148389 903393273 /nfs/dbraw/zinc/39/32/73/903393273.db2.gz BCJJTMSKSBSKFD-QGZVFWFLSA-N 0 1 384.354 3.533 20 5 GHBDMN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H](c2ccccc2)c2ccc3nc[nH]c3c2)n1 ZINC001146612834 903571562 /nfs/dbraw/zinc/57/15/62/903571562.db2.gz UOSJJGXAGKMEAT-HXUWFJFHSA-N 0 1 387.399 3.694 20 5 GHBDMN O=C(NC[C@@H](c1cccs1)N1CCCC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000136168726 903764441 /nfs/dbraw/zinc/76/44/41/903764441.db2.gz AJOTVHLVQLTTIT-AWEZNQCLSA-N 0 1 379.869 3.877 20 5 GHBDMN O=C(NCC/C=C\c1ccc(Br)cc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC001148839904 904225988 /nfs/dbraw/zinc/22/59/88/904225988.db2.gz WAYHLSRBISHOCI-IWQZZHSRSA-N 0 1 391.221 3.896 20 5 GHBDMN CCOc1ccc([C@H](C)NCc2ccc(-n3ccnc3C)nc2)cc1[N+](=O)[O-] ZINC000153076334 904328129 /nfs/dbraw/zinc/32/81/29/904328129.db2.gz BHHDOTHAWVLBQT-AWEZNQCLSA-N 0 1 381.436 3.733 20 5 GHBDMN O=[N+]([O-])c1ccc(N2CCC(NCc3c(F)c(F)cc(F)c3F)CC2)cc1 ZINC000773049657 904398641 /nfs/dbraw/zinc/39/86/41/904398641.db2.gz UMITXLZCJOOGAV-UHFFFAOYSA-N 0 1 383.345 3.910 20 5 GHBDMN C[C@H]1CCC[N@@H+](Cc2ccccc2CNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000579359021 904539829 /nfs/dbraw/zinc/53/98/29/904539829.db2.gz DIEIMTJIEJTQKV-AWEZNQCLSA-N 0 1 384.436 3.532 20 5 GHBDMN Cn1cc(CN2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000290905319 914863769 /nfs/dbraw/zinc/86/37/69/914863769.db2.gz MLLNAOUOZTVWJB-QUCCMNQESA-N 0 1 382.464 3.529 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2nnc(CN3CC[C@@H](COCc4ccccc4)C3)o2)cc1 ZINC000173984595 905177597 /nfs/dbraw/zinc/17/75/97/905177597.db2.gz CSVDUMZPYWWGNQ-QGZVFWFLSA-N 0 1 394.431 3.684 20 5 GHBDMN O=C1Nc2ccccc2CN1C1CN([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172913684 905984071 /nfs/dbraw/zinc/98/40/71/905984071.db2.gz UFKCQNKETKXXHS-GOSISDBHSA-N 0 1 392.459 3.574 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C[C@H](C)N[C@H](CO)c2ccccc2Cl)c1F ZINC001173177534 906255311 /nfs/dbraw/zinc/25/53/11/906255311.db2.gz BUMPAWWXGMRKCI-XHDPSFHLSA-N 0 1 382.819 3.650 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CC[C@@H](Oc3ncccc3C)C2)c1F ZINC001173191143 906273799 /nfs/dbraw/zinc/27/37/99/906273799.db2.gz ARKNNTBJHVFDBO-LSDHHAIUSA-N 0 1 389.427 3.530 20 5 GHBDMN CCOC(=O)C1(CC)CCN([C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CC1 ZINC001173191688 906276045 /nfs/dbraw/zinc/27/60/45/906276045.db2.gz GAJQULOJLZSMTG-AWEZNQCLSA-N 0 1 396.459 3.729 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C[C@H](C)N(C)Cc2cccc(OC)c2OC)c1F ZINC001173193437 906278166 /nfs/dbraw/zinc/27/81/66/906278166.db2.gz SDNGBKWOMMFGDE-ZDUSSCGKSA-N 0 1 392.427 3.823 20 5 GHBDMN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCc2ncc(Br)cc2C1 ZINC001173227310 906311200 /nfs/dbraw/zinc/31/12/00/906311200.db2.gz POAFSVZGCFSIQG-LBPRGKRZSA-N 0 1 376.254 3.742 20 5 GHBDMN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCN(Cc3ccc(C)cc3)C2)c1 ZINC001174833981 907229492 /nfs/dbraw/zinc/22/94/92/907229492.db2.gz ZEEGZAPIFATLPT-INIZCTEOSA-N 0 1 385.489 3.629 20 5 GHBDMN CC1(C)[C@H](c2ccccc2F)CCN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001175454711 907581503 /nfs/dbraw/zinc/58/15/03/907581503.db2.gz WHLDRLQGGSVKFK-SFHVURJKSA-N 0 1 397.450 3.891 20 5 GHBDMN C[C@H](N[C@@H]1CCc2c1cccc2F)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC001176244419 908003663 /nfs/dbraw/zinc/00/36/63/908003663.db2.gz XWUZZKOCVTYRRT-MGPLVRAMSA-N 0 1 377.803 3.991 20 5 GHBDMN COc1cccc2c1CCN(Cc1coc(-c3ccc([N+](=O)[O-])cc3)n1)CC2 ZINC000193713750 908643822 /nfs/dbraw/zinc/64/38/22/908643822.db2.gz JQEBCRULQLRXJN-UHFFFAOYSA-N 0 1 379.416 3.859 20 5 GHBDMN C[C@@](CO)(NCc1cc2nc(Cl)ccc2s1)c1cccc([N+](=O)[O-])c1 ZINC001179353997 909481101 /nfs/dbraw/zinc/48/11/01/909481101.db2.gz ZEUDCDRBANSXIK-KRWDZBQOSA-N 0 1 377.853 3.855 20 5 GHBDMN O=[N+]([O-])c1nc[nH]c1-c1nc(-c2ccc3c(c2)CO[C@@H]3c2ccc(F)cc2)no1 ZINC001212892941 911378234 /nfs/dbraw/zinc/37/82/34/911378234.db2.gz DYHKOEXYLJIISE-MRXNPFEDSA-N 0 1 393.334 3.794 20 5 GHBDMN COc1cc(CNCc2cc(C)nn2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000283799360 911650986 /nfs/dbraw/zinc/65/09/86/911650986.db2.gz BGKGDUSDHAOSSM-UHFFFAOYSA-N 0 1 396.447 3.514 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2nc(CN3CC[C@](CO)(c4ccccc4)C3)cs2)c1 ZINC000291175591 915018762 /nfs/dbraw/zinc/01/87/62/915018762.db2.gz FCCGQNIXQFKVRH-NRFANRHFSA-N 0 1 395.484 3.854 20 5 GHBDMN COc1ccc(NC(=O)CN2C[C@@H](c3ccccc3C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000303754301 915083879 /nfs/dbraw/zinc/08/38/79/915083879.db2.gz MQMYQCCHNDDWIJ-HOTGVXAUSA-N 0 1 383.448 3.728 20 5 GHBDMN Cn1ccnc1COc1ccc(CNC(C)(C)c2ccccc2[N+](=O)[O-])cc1 ZINC000291749958 915347958 /nfs/dbraw/zinc/34/79/58/915347958.db2.gz PZIAMRXBTSDLHP-UHFFFAOYSA-N 0 1 380.448 3.932 20 5 GHBDMN CN(C)[C@H](CNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])c1ccsc1 ZINC000294354124 916759644 /nfs/dbraw/zinc/75/96/44/916759644.db2.gz LZCZEOPZKYKCPC-CQSZACIVSA-N 0 1 387.383 3.708 20 5 GHBDMN Cc1ccc(C(=O)C2CCN(C(=O)c3[nH]nc4ccc([N+](=O)[O-])cc43)CC2)cc1 ZINC000363296437 918047919 /nfs/dbraw/zinc/04/79/19/918047919.db2.gz XNGCPIZMEXTECM-UHFFFAOYSA-N 0 1 392.415 3.515 20 5 GHBDMN O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1N1CCC[C@H](c2nc[nH]n2)C1 ZINC000363603627 918510780 /nfs/dbraw/zinc/51/07/80/918510780.db2.gz NIYRXJHSKSWQGQ-QMMMGPOBSA-N 0 1 375.738 3.769 20 5 GHBDMN Cc1cc(C2CCN(Cc3ccc(Br)c([N+](=O)[O-])c3)CC2)[nH]n1 ZINC000801526224 921099126 /nfs/dbraw/zinc/09/91/26/921099126.db2.gz FFUKJLMHPPFBCB-UHFFFAOYSA-N 0 1 379.258 3.768 20 5 GHBDMN COc1cc([C@@H](C)NCc2cccc(CN3CCCC3=O)c2)cc([N+](=O)[O-])c1 ZINC000903064304 922740349 /nfs/dbraw/zinc/74/03/49/922740349.db2.gz BPSMUVDEJAIXJE-OAHLLOKOSA-N 0 1 383.448 3.577 20 5 GHBDMN CCOc1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000011710884 925458316 /nfs/dbraw/zinc/45/83/16/925458316.db2.gz YOHOCFRLMIMKAL-KGLIPLIRSA-N 0 1 387.436 3.680 20 5 GHBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)Nc1cc(Cl)c(Cl)cc1F ZINC000410420661 925634061 /nfs/dbraw/zinc/63/40/61/925634061.db2.gz PTVHRQQMCMREFN-UHFFFAOYSA-N 0 1 383.159 3.981 20 5 GHBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2C[C@@H]3CC[C@H](O)C[C@@H]3C2)cc1OC ZINC000412031070 927027171 /nfs/dbraw/zinc/02/71/71/927027171.db2.gz AOGYLBJHOUQSDV-CUSZFKRNSA-N 0 1 392.496 3.621 20 5 GHBDMN COc1ccc(CN2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000750282343 927533419 /nfs/dbraw/zinc/53/34/19/927533419.db2.gz FFFFDEDEUMCECO-MRXNPFEDSA-N 0 1 393.484 3.682 20 5 GHBDMN O=C(Oc1cccc([N+](=O)[O-])c1)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000751041074 927998705 /nfs/dbraw/zinc/99/87/05/927998705.db2.gz VYZYEPXVEOAMPV-GOSISDBHSA-N 0 1 394.349 3.955 20 5 GHBDMN CC(=O)Nc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)cc1C ZINC000753067111 929189302 /nfs/dbraw/zinc/18/93/02/929189302.db2.gz DAYMFLXFMAOQRE-UHFFFAOYSA-N 0 1 397.840 3.624 20 5 GHBDMN O=[N+]([O-])c1ccc2nc(NC[C@@H]3CN(Cc4ccccc4)CCCO3)sc2c1 ZINC000758134957 929938665 /nfs/dbraw/zinc/93/86/65/929938665.db2.gz LXZUPWRZWGEOFW-QGZVFWFLSA-N 0 1 398.488 3.908 20 5 GHBDMN Cc1c(Cc2noc([C@H]3CCCN(Cc4cccnc4)C3)n2)cccc1[N+](=O)[O-] ZINC000546493412 930212386 /nfs/dbraw/zinc/21/23/86/930212386.db2.gz AQBUSPWAOLCQMU-SFHVURJKSA-N 0 1 393.447 3.652 20 5 GHBDMN NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000470147683 930406561 /nfs/dbraw/zinc/40/65/61/930406561.db2.gz PZCNZVHRJUELQO-OMPKRAJASA-N 0 1 389.839 3.594 20 5 GHBDMN NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000470147683 930406563 /nfs/dbraw/zinc/40/65/63/930406563.db2.gz PZCNZVHRJUELQO-OMPKRAJASA-N 0 1 389.839 3.594 20 5 GHBDMN COc1ccc(CSCc2nc(-c3ccc4[nH]cnc4c3)no2)cc1[N+](=O)[O-] ZINC000547160045 930748854 /nfs/dbraw/zinc/74/88/54/930748854.db2.gz UHQMKAYMEUKZBW-UHFFFAOYSA-N 0 1 397.416 3.963 20 5 GHBDMN CN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000470675296 930812391 /nfs/dbraw/zinc/81/23/91/930812391.db2.gz QHZMKVLVQINWQB-SFHVURJKSA-N 0 1 387.867 3.985 20 5 GHBDMN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000470837074 930956507 /nfs/dbraw/zinc/95/65/07/930956507.db2.gz RXMJXQLYDSHOIO-RDJZCZTQSA-N 0 1 383.448 3.559 20 5 GHBDMN Cc1nn(CN2CCC(CCCn3ccnc3)CC2)c2ccc([N+](=O)[O-])cc12 ZINC000782942789 931370583 /nfs/dbraw/zinc/37/05/83/931370583.db2.gz JSSWDENNNLRLML-UHFFFAOYSA-N 0 1 382.468 3.599 20 5 GHBDMN CSc1c(F)cc(NS(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)cc1F ZINC000783856180 931693992 /nfs/dbraw/zinc/69/39/92/931693992.db2.gz RPNQKCOWYNMVFO-UHFFFAOYSA-N 0 1 392.380 3.843 20 5 GHBDMN NCc1nc2c(s1)CCN([C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)C2 ZINC000925748382 931891837 /nfs/dbraw/zinc/89/18/37/931891837.db2.gz PQMOZBVJIWOLTP-HXUWFJFHSA-N 0 1 380.473 3.658 20 5 GHBDMN CC[C@@H](CSc1ccccc1[N+](=O)[O-])NCc1nc2c(s1)COCC2 ZINC000927120699 932421255 /nfs/dbraw/zinc/42/12/55/932421255.db2.gz KMOAQLVLOWCBQD-LBPRGKRZSA-N 0 1 379.507 3.785 20 5 GHBDMN O=[N+]([O-])c1ccc(N2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c(Br)c1 ZINC000798397089 932629437 /nfs/dbraw/zinc/62/94/37/932629437.db2.gz RVAUYVWZOPQWOF-NSHDSACASA-N 0 1 392.257 3.737 20 5 GHBDMN O=[N+]([O-])c1ccc(N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)c(Br)c1 ZINC000798397089 932629439 /nfs/dbraw/zinc/62/94/39/932629439.db2.gz RVAUYVWZOPQWOF-NSHDSACASA-N 0 1 392.257 3.737 20 5 GHBDMN Cc1cscc1NS(=O)(=O)c1cc([N+](=O)[O-])c(Br)cc1C ZINC000777645273 932696541 /nfs/dbraw/zinc/69/65/41/932696541.db2.gz PZBFZJIGQOHCNZ-UHFFFAOYSA-N 0 1 391.268 3.836 20 5 GHBDMN COC(=O)c1cc(S(=O)(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cs1 ZINC000560013445 933020294 /nfs/dbraw/zinc/02/02/94/933020294.db2.gz RCKJHWXJVDMBHR-UHFFFAOYSA-N 0 1 398.462 3.541 20 5 GHBDMN O=[N+]([O-])c1ccc2oc(CN3CCC[C@@H](c4nc5ccccc5[nH]4)C3)nc2c1 ZINC001116350588 933501901 /nfs/dbraw/zinc/50/19/01/933501901.db2.gz GHQGVCPXZTYFIS-CYBMUJFWSA-N 0 1 377.404 3.992 20 5 GHBDMN O=[N+]([O-])c1ccc(CN[C@@H](CCO)c2cccc(OC(F)(F)F)c2)cc1F ZINC000829821648 935868352 /nfs/dbraw/zinc/86/83/52/935868352.db2.gz RBOOZRRPEVGFDJ-HNNXBMFYSA-N 0 1 388.317 3.846 20 5 GHBDMN O=[N+]([O-])c1cccc([C@H](O)CN2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)c1 ZINC000829871966 935876015 /nfs/dbraw/zinc/87/60/15/935876015.db2.gz FUDLCCGWTLBKIM-ZWKOTPCHSA-N 0 1 386.839 3.995 20 5 GHBDMN CC(C)([NH2+]Cc1ccc(N2CCC(C(=O)[O-])CC2)o1)c1ccccc1[N+](=O)[O-] ZINC001602953740 971931245 /nfs/dbraw/zinc/93/12/45/971931245.db2.gz NDMQAXHNPRLGNP-UHFFFAOYSA-N 0 1 387.436 3.514 20 5 GHBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2C[C@H](C)C[C@H](C(=O)[O-])C2)cc1OC ZINC001589459096 954856929 /nfs/dbraw/zinc/85/69/29/954856929.db2.gz VZRZLXDXUZXTMJ-LZWOXQAQSA-N 0 1 394.468 3.571 20 5 GHBDMN CC[N@@H+](Cc1c[nH]c2ccccc12)Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001596362708 983841340 /nfs/dbraw/zinc/84/13/40/983841340.db2.gz JVJSUWLGKOOIIV-UHFFFAOYSA-N 0 1 383.404 3.562 20 5 GHBDMN C[C@H]([NH2+]Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)c1ccc(F)cc1Cl ZINC001599901243 984832640 /nfs/dbraw/zinc/83/26/40/984832640.db2.gz CLJFTOUQUNDKOI-JTQLQIEISA-N 0 1 382.775 3.702 20 5 GHBDMN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(-c2nnc[nH]2)cc1F ZINC000468196659 1015394023 /nfs/dbraw/zinc/39/40/23/1015394023.db2.gz NBIAMWPITHRXIV-SNVBAGLBSA-N 0 1 387.396 3.638 20 5 GHBDMN C[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001598436404 991828977 /nfs/dbraw/zinc/82/89/77/991828977.db2.gz FURHCAYRIFOQEM-JKSUJKDBSA-N 0 1 399.230 3.693 20 5 GHBDMN Cc1nc(Cl)nc(O[C@@H]2CN(Cc3ccccc3)CC[C@@H]2C)c1[N+](=O)[O-] ZINC001227333986 1032378148 /nfs/dbraw/zinc/37/81/48/1032378148.db2.gz AQAPBOYVCGCRDS-SWLSCSKDSA-N 0 1 376.844 3.636 20 5 GHBDMN C=CC(=O)OC[C@H](C)Oc1ccc2c(c1)oc1c2c(=O)oc2cc(O)ccc12 ZINC001227519151 1032450692 /nfs/dbraw/zinc/45/06/92/1032450692.db2.gz YORCVWLRKJHCMK-NSHDSACASA-N 0 1 380.352 3.895 20 5 GHBDMN CSc1nc(OCc2ccc(OC(C)C)c(Cl)c2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001227629816 1032492314 /nfs/dbraw/zinc/49/23/14/1032492314.db2.gz ZNEGQSIFJZQFPM-UHFFFAOYSA-N 0 1 385.829 3.832 20 5 GHBDMN O=[N+]([O-])c1cc(F)c(CN2CCC3(CC2)C[C@H](O)c2ccccc2O3)c(F)c1 ZINC000933070476 1018830371 /nfs/dbraw/zinc/83/03/71/1018830371.db2.gz PBPBHSXHWDREMJ-SFHVURJKSA-N 0 1 390.386 3.724 20 5 GHBDMN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Oc1[n-]c(=O)nc2cc([N+](=O)[O-])ccc21 ZINC001228243123 1032859401 /nfs/dbraw/zinc/85/94/01/1032859401.db2.gz UMDSUGAAUNHFDW-IFXJQAMLSA-N 0 1 394.431 3.533 20 5 GHBDMN CCOc1ccc([N+](=O)[O-])cc1CNc1ccc(Cl)c(CN(C)CCO)c1 ZINC000576546598 1020028993 /nfs/dbraw/zinc/02/89/93/1020028993.db2.gz SLJQQFFJYKAWQL-UHFFFAOYSA-N 0 1 393.871 3.683 20 5 GHBDMN Cc1cc(Cl)c([N+](=O)[O-])cc1NS(=O)(=O)c1cnc2ccccc2c1 ZINC000800836501 1021341133 /nfs/dbraw/zinc/34/11/33/1021341133.db2.gz KVCDKXMEQSZQIZ-UHFFFAOYSA-N 0 1 377.809 3.906 20 5 GHBDMN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(C(F)(F)F)nc2C)c1F ZINC000800844657 1021341559 /nfs/dbraw/zinc/34/15/59/1021341559.db2.gz FPAUAKLXKQZSSO-UHFFFAOYSA-N 0 1 393.318 3.565 20 5 GHBDMN O=C(Cc1ccccc1)N1CCC[C@@H](NCc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000800901272 1021347537 /nfs/dbraw/zinc/34/75/37/1021347537.db2.gz RQAVYNYMLRAOQH-GOSISDBHSA-N 0 1 387.867 3.572 20 5 GHBDMN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000754026339 1022431543 /nfs/dbraw/zinc/43/15/43/1022431543.db2.gz PPJPIAOYBPYNAZ-IDCODDLRSA-N 0 1 383.448 3.935 20 5 GHBDMN CCOc1cc(CN2CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000755066252 1023057066 /nfs/dbraw/zinc/05/70/66/1023057066.db2.gz PJURCXVOKCPGBR-GDBMZVCRSA-N 0 1 393.484 3.871 20 5 GHBDMN CCN(CC)[C@H](C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 ZINC000756994433 1023902036 /nfs/dbraw/zinc/90/20/36/1023902036.db2.gz WCUUVVAQNURPHL-SFHVURJKSA-N 0 1 375.856 3.948 20 5 GHBDMN Cc1ccc(CN2CCCN(C(=O)c3c(C)c(C)ccc3[N+](=O)[O-])CC2)cc1 ZINC001141295007 1024430239 /nfs/dbraw/zinc/43/02/39/1024430239.db2.gz RJPLZHRNRPOSOR-UHFFFAOYSA-N 0 1 381.476 3.868 20 5 GHBDMN CCN(CC)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N)c1ccccc1Cl ZINC001141308907 1024490239 /nfs/dbraw/zinc/49/02/39/1024490239.db2.gz GKXPUZTXFVQUHX-SFHVURJKSA-N 0 1 390.871 3.643 20 5 GHBDMN CC(C)c1cc([C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)C2)n[nH]1 ZINC000831886391 1024977007 /nfs/dbraw/zinc/97/70/07/1024977007.db2.gz ZGEWJEYVFLBZOH-BPQIPLTHSA-N 0 1 382.464 3.951 20 5 GHBDMN COCCN(Cc1ccc(F)c(Cl)c1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000832533931 1025663284 /nfs/dbraw/zinc/66/32/84/1025663284.db2.gz DAIGOXWMGJJFKH-GOSISDBHSA-N 0 1 382.819 3.569 20 5 GHBDMN Cc1cc(Cl)c(C(=O)Nc2ccccc2N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000839221322 1025738788 /nfs/dbraw/zinc/73/87/88/1025738788.db2.gz ASISXNJPQKIXEJ-UHFFFAOYSA-N 0 1 388.855 3.561 20 5 GHBDMN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCC(Cc2n[nH]c(C(C)C)n2)CC1 ZINC001164362537 1026495208 /nfs/dbraw/zinc/49/52/08/1026495208.db2.gz NBCWWGRQINWRAW-UHFFFAOYSA-N 0 1 385.468 3.548 20 5 GHBDMN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCC(Cc2nnc(C(C)C)[nH]2)CC1 ZINC001164362537 1026495212 /nfs/dbraw/zinc/49/52/12/1026495212.db2.gz NBCWWGRQINWRAW-UHFFFAOYSA-N 0 1 385.468 3.548 20 5 GHBDMN Cc1ccnc(N2CC(c3ncn4cc(-c5ccoc5)ccc34)C2)c1[N+](=O)[O-] ZINC001166495854 1027015097 /nfs/dbraw/zinc/01/50/97/1027015097.db2.gz YHEMRVQCEYKIGQ-UHFFFAOYSA-N 0 1 375.388 3.810 20 5 GHBDMN COc1cccc(I)c1Nc1ccc(O)c([N+](=O)[O-])c1 ZINC001210398740 1027490022 /nfs/dbraw/zinc/49/00/22/1027490022.db2.gz JYQRCPSYYKNMIY-UHFFFAOYSA-N 0 1 386.145 3.657 20 5 GHBDMN C[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)C1CCC(F)CC1 ZINC001213249525 1028069116 /nfs/dbraw/zinc/06/91/16/1028069116.db2.gz ZNXLFAZYNCSWHR-XNWIYYODSA-N 0 1 382.816 3.582 20 5 GHBDMN COc1ccc(NC(=O)[C@H](C)N[C@@H](C)c2ccc(Cl)s2)c([N+](=O)[O-])c1 ZINC000183006678 1029224862 /nfs/dbraw/zinc/22/48/62/1029224862.db2.gz JXAAHMANCWXYBJ-UWVGGRQHSA-N 0 1 383.857 3.996 20 5 GHBDMN COc1cc([N+](=O)[O-])c(-c2nc(-c3ccc(F)c(Cl)c3F)no2)cc1O ZINC001216344022 1029609962 /nfs/dbraw/zinc/60/99/62/1029609962.db2.gz XUNOUEPWXHHQKL-UHFFFAOYSA-N 0 1 383.694 3.958 20 5 GHBDMN CNc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(-c2c[nH]c3ccccc23)n[nH]1 ZINC001143099573 1029841247 /nfs/dbraw/zinc/84/12/47/1029841247.db2.gz CIFDJNXWDZSIFR-UHFFFAOYSA-N 0 1 376.376 3.760 20 5 GHBDMN O=C(NCc1cc(Cl)ccc1Br)c1cc(O)cc([N+](=O)[O-])c1 ZINC001143121330 1029856010 /nfs/dbraw/zinc/85/60/10/1029856010.db2.gz CTJGKKDRHDHKEJ-UHFFFAOYSA-N 0 1 385.601 3.646 20 5 GHBDMN COc1cc(-c2noc(-c3cc(O)cc([N+](=O)[O-])c3)n2)ccc1-n1cnc(C)c1 ZINC001216924432 1030004030 /nfs/dbraw/zinc/00/40/30/1030004030.db2.gz JYIONAVHCVANBX-UHFFFAOYSA-N 0 1 393.359 3.520 20 5 GHBDMN O=[N+]([O-])c1cc(O)cc(-c2nc(-c3ncccc3OCc3ccccc3)no2)c1 ZINC001216924816 1030006165 /nfs/dbraw/zinc/00/61/65/1030006165.db2.gz FGUZLFNYJIPFFA-UHFFFAOYSA-N 0 1 390.355 3.991 20 5 GHBDMN CN1CCN(c2cccc(-c3noc(-c4cc(Cl)cc([N+](=O)[O-])c4)n3)c2)CC1 ZINC001217016221 1030091030 /nfs/dbraw/zinc/09/10/30/1030091030.db2.gz ILTOBIHJXKSGCI-UHFFFAOYSA-N 0 1 399.838 3.717 20 5 GHBDMN O=C(NCc1ccc(Nc2ccncc2)cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC001149340147 1030138844 /nfs/dbraw/zinc/13/88/44/1030138844.db2.gz PPAHDJAUULLXMD-UHFFFAOYSA-N 0 1 382.807 3.739 20 5 GHBDMN CCOc1ccccc1-c1cc(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)n[nH]1 ZINC001149519005 1030204512 /nfs/dbraw/zinc/20/45/12/1030204512.db2.gz HIEQXLZFORVEJE-UHFFFAOYSA-N 0 1 392.415 3.582 20 5 GHBDMN COC(=O)C1=C[C@@H](O[C@@H](C)c2cccc([N+](=O)[O-])c2)CN(Cc2ccccc2)C1 ZINC001223427335 1030569476 /nfs/dbraw/zinc/56/94/76/1030569476.db2.gz LKPJSHFCGWVWEK-HRAATJIYSA-N 0 1 396.443 3.656 20 5 GHBDMN O=[N+]([O-])c1cc(CO[C@@H]2CCN(Cc3ccc(Cl)cc3)C2)cc([N+](=O)[O-])c1 ZINC001223489935 1030602131 /nfs/dbraw/zinc/60/21/31/1030602131.db2.gz KNSWJBBVDKHJES-GOSISDBHSA-N 0 1 391.811 3.948 20 5 GHBDMN C[C@@H](C(=O)N1CCc2nc[nH]c2[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC001151237196 1030817561 /nfs/dbraw/zinc/81/75/61/1030817561.db2.gz QTHJMLLXMUYPML-ZUOKHONESA-N 0 1 394.406 3.735 20 5 GHBDMN Cc1cc(C[C@H](C)NC(=O)[C@@H](N)Cc2c3ccccc3cc3ccccc32)on1 ZINC001218501387 1030963455 /nfs/dbraw/zinc/96/34/55/1030963455.db2.gz QMYCSBWJMCGRQU-WNSKOXEYSA-N 0 1 387.483 3.907 20 5 GHBDMN N[C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)Nc1cn[nH]c(=O)c1Cl ZINC001218633050 1031012075 /nfs/dbraw/zinc/01/20/75/1031012075.db2.gz OPEPNJWIDUUMDS-KRWDZBQOSA-N 0 1 392.846 3.651 20 5 GHBDMN O=[N+]([O-])c1cc(F)c(F)cc1OC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC001225779442 1031600407 /nfs/dbraw/zinc/60/04/07/1031600407.db2.gz OJWQJBMGDHHDNU-HNNXBMFYSA-N 0 1 378.375 3.543 20 5 GHBDMN CC(=O)c1ccc(-c2noc(-c3cc(-c4ccc([N+](=O)[O-])cc4)n[nH]3)n2)cc1 ZINC001213008366 1033576456 /nfs/dbraw/zinc/57/64/56/1033576456.db2.gz HSMODVOJWCNEAP-UHFFFAOYSA-N 0 1 375.344 3.905 20 5 GHBDMN COc1cccc(-c2noc(-c3cc(-c4ccc([N+](=O)[O-])cc4)n[nH]3)n2)c1F ZINC001213008425 1033580212 /nfs/dbraw/zinc/58/02/12/1033580212.db2.gz KDBHBVYGWJAUTE-UHFFFAOYSA-N 0 1 381.323 3.850 20 5 GHBDMN CC(C)(C)OC(=O)N1CC2(C1)CC[C@@H](Oc1cc3[nH]ncc3cc1[N+](=O)[O-])C2 ZINC001230595080 1034138527 /nfs/dbraw/zinc/13/85/27/1034138527.db2.gz IXHAFBMTPIEKKY-CYBMUJFWSA-N 0 1 388.424 3.640 20 5 GHBDMN CCN(CCn1cccn1)C(=O)[C@@H](N)Cc1c2ccccc2cc2ccccc21 ZINC001160692533 1035037387 /nfs/dbraw/zinc/03/73/87/1035037387.db2.gz BGUQPKPIMAZKBU-QHCPKHFHSA-N 0 1 386.499 3.608 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2ccc(NC3CCN(Cc4ccncc4)CC3)nn2)cc1 ZINC001161105792 1035143575 /nfs/dbraw/zinc/14/35/75/1035143575.db2.gz PMXJUEVLQHCFQO-UHFFFAOYSA-N 0 1 390.447 3.523 20 5 GHBDMN COc1ccc(-c2[nH]ncc2C(=O)Nc2nccc3c2cccc3[N+](=O)[O-])cc1 ZINC001161557678 1035258433 /nfs/dbraw/zinc/25/84/33/1035258433.db2.gz YQVNGJDWLLEFJD-UHFFFAOYSA-N 0 1 389.371 3.794 20 5 GHBDMN O=C(Cc1ccc(F)cc1[N+](=O)[O-])Nc1ccc2nc(-c3ccncc3)[nH]c2c1 ZINC001161780004 1035299290 /nfs/dbraw/zinc/29/92/90/1035299290.db2.gz BKNFEVPKRMHHCQ-UHFFFAOYSA-N 0 1 391.362 3.853 20 5 GHBDMN CCOC[C@@H]1CN([C@H](C)Cc2ccccc2[N+](=O)[O-])Cc2cnn(CC3CC3)c21 ZINC001254556391 1040326976 /nfs/dbraw/zinc/32/69/76/1040326976.db2.gz KRVLILHMUAFKGF-UZLBHIALSA-N 0 1 398.507 3.768 20 5 GHBDMN COc1ccc(Cc2nnc(-c3cc(-c4cccc([N+](=O)[O-])c4)n[nH]3)o2)cc1 ZINC001254784531 1040543099 /nfs/dbraw/zinc/54/30/99/1040543099.db2.gz RAADFBVOTDUPDR-UHFFFAOYSA-N 0 1 377.360 3.634 20 5 GHBDMN C[C@](O)(CNCc1cc(Br)c([N+](=O)[O-])s1)c1cccc(F)c1 ZINC001462605952 1070409313 /nfs/dbraw/zinc/40/93/13/1070409313.db2.gz OIUUEWVQABJOQO-AWEZNQCLSA-N 0 1 389.246 3.555 20 5 GHBDMN C[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC001298243884 1045748238 /nfs/dbraw/zinc/74/82/38/1045748238.db2.gz ZOBOARVRJWAYTQ-ZETCQYMHSA-N 0 1 395.202 3.975 20 5 GHBDMN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CCN1C1CCCC1 ZINC001303540774 1047420647 /nfs/dbraw/zinc/42/06/47/1047420647.db2.gz UQBUBEHHIJXODT-GFCCVEGCSA-N 0 1 385.386 3.703 20 5 GHBDMN O=C(C=Cc1ccc([N+](=O)[O-])cc1)Nc1n[nH]c2nc(C(F)(F)F)ccc12 ZINC001305699005 1048220713 /nfs/dbraw/zinc/22/07/13/1048220713.db2.gz NEKOQFIDQYEODK-BAQGIRSFSA-N 0 1 377.282 3.537 20 5 GHBDMN O=C(Nc1nccc2c1cccc2[N+](=O)[O-])c1cc(-c2ccc(F)cc2)n[nH]1 ZINC001306863182 1048932993 /nfs/dbraw/zinc/93/29/93/1048932993.db2.gz VCQALMRBWBYVHG-UHFFFAOYSA-N 0 1 377.335 3.925 20 5 GHBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@](C)(CO)Cc1ccccc1F ZINC001308118120 1049862291 /nfs/dbraw/zinc/86/22/91/1049862291.db2.gz QZXNCZAOFJJYOJ-FQEVSTJZSA-N 0 1 376.428 3.604 20 5 GHBDMN C[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)c1c(F)cccc1F ZINC001309876461 1051018459 /nfs/dbraw/zinc/01/84/59/1051018459.db2.gz IXAMYULCMYFCFB-ZETCQYMHSA-N 0 1 394.758 3.705 20 5 GHBDMN O=[N+]([O-])c1ccc(CN2CCC[C@H](C[C@H]3CCOC3)C2)c(Br)c1 ZINC001342948736 1053453227 /nfs/dbraw/zinc/45/32/27/1053453227.db2.gz FZIOTOSLWAEVLR-ZIAGYGMSSA-N 0 1 383.286 3.996 20 5 GHBDMN COc1ccc(-c2ccc(CN(C)Cc3ccc(C(N)=O)cc3)o2)c([N+](=O)[O-])c1 ZINC001343328649 1053707444 /nfs/dbraw/zinc/70/74/44/1053707444.db2.gz UNWDISVTYSWXPD-UHFFFAOYSA-N 0 1 395.415 3.594 20 5 GHBDMN CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2ccc(Br)cc2[nH]1 ZINC001318812085 1054890616 /nfs/dbraw/zinc/89/06/16/1054890616.db2.gz RTNCWTKDSXOVQP-UHFFFAOYSA-N 0 1 390.197 3.528 20 5 GHBDMN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc([C@@H]2CN3CCC2CC3)no1 ZINC001320496219 1055841934 /nfs/dbraw/zinc/84/19/34/1055841934.db2.gz QEUGEMSMKGJBIL-GXFFZTMASA-N 0 1 378.816 3.580 20 5 GHBDMN CN1CC[C@@H](NCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H]1c1ccc(F)cc1 ZINC001323881500 1057028172 /nfs/dbraw/zinc/02/81/72/1057028172.db2.gz UWIQZHTVVIHBLA-WOJBJXKFSA-N 0 1 396.422 3.924 20 5 GHBDMN CCN(CC)C(=O)[C@@H](Cc1ccccc1)N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848512995 1057142216 /nfs/dbraw/zinc/14/22/16/1057142216.db2.gz CEHONDDUEXCGKV-WOJBJXKFSA-N 0 1 381.476 3.651 20 5 GHBDMN Cc1ccc(Cl)cc1C(=O)Nc1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC001439675590 1058258218 /nfs/dbraw/zinc/25/82/18/1058258218.db2.gz HPRWPMKVPVCYLL-UHFFFAOYSA-N 0 1 388.855 3.561 20 5 GHBDMN Cn1nc(CC(C)(C)C)cc1NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001443785953 1059204318 /nfs/dbraw/zinc/20/43/18/1059204318.db2.gz CSEHAJRRAGDLHZ-UHFFFAOYSA-N 0 1 382.424 3.559 20 5 GHBDMN O=C(Nc1ccc2oc(CN3CCCC3)nc2c1)c1cc(F)cc([N+](=O)[O-])c1 ZINC001450266836 1060566454 /nfs/dbraw/zinc/56/64/54/1060566454.db2.gz DMIOPKNBYDVKAQ-UHFFFAOYSA-N 0 1 384.367 3.723 20 5 GHBDMN O=C(Cc1ccccc1[N+](=O)[O-])N1CCc2nc[nH]c2[C@@H]1c1ccc(Cl)cc1 ZINC001451927837 1060865615 /nfs/dbraw/zinc/86/56/15/1060865615.db2.gz XWUDWNYDCSPJJN-FQEVSTJZSA-N 0 1 396.834 3.688 20 5 GHBDMN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc(Nc2ccncc2)cc1 ZINC001452752095 1061001492 /nfs/dbraw/zinc/00/14/92/1061001492.db2.gz XMFXSVUDBBGGQT-UHFFFAOYSA-N 0 1 382.807 3.990 20 5 GHBDMN C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001454395624 1061750748 /nfs/dbraw/zinc/75/07/48/1061750748.db2.gz COTHNOKLHSKYME-KDOFPFPSSA-N 0 1 387.867 3.889 20 5 GHBDMN C[C@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001454395621 1061751252 /nfs/dbraw/zinc/75/12/52/1061751252.db2.gz COTHNOKLHSKYME-KBXCAEBGSA-N 0 1 387.867 3.889 20 5 GHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC(c2ccc(Cl)cn2)CC1 ZINC001455062501 1061991630 /nfs/dbraw/zinc/99/16/30/1061991630.db2.gz OECAMHADHZAFMT-UHFFFAOYSA-N 0 1 385.811 3.539 20 5 GHBDMN CC[C@H](c1ccccc1)N1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC001456979157 1062937548 /nfs/dbraw/zinc/93/75/48/1062937548.db2.gz ISSDOTPGLFRWJJ-YPAWHYETSA-N 0 1 393.487 3.994 20 5 GHBDMN COc1ccccc1-c1nnc(NC(=O)c2cc(F)c([N+](=O)[O-])cc2F)s1 ZINC001436382075 1063419347 /nfs/dbraw/zinc/41/93/47/1063419347.db2.gz ZSQFIIBVQBVMLA-UHFFFAOYSA-N 0 1 392.343 3.652 20 5 GHBDMN O=C(CCOc1ccccc1[N+](=O)[O-])Nc1nc2cc(Cl)c(F)cc2[nH]1 ZINC001437931907 1063952028 /nfs/dbraw/zinc/95/20/28/1063952028.db2.gz QLPMJYIBULHBBH-UHFFFAOYSA-N 0 1 378.747 3.671 20 5 GHBDMN C[C@H](c1nc2ccc(Cl)cc2[nH]1)N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001464082646 1064808204 /nfs/dbraw/zinc/80/82/04/1064808204.db2.gz OLMXJPFUULXNQA-SNVBAGLBSA-N 0 1 394.840 3.506 20 5 GHBDMN CCN(CCNC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C)CCC(F)(F)F ZINC001466686465 1066256022 /nfs/dbraw/zinc/25/60/22/1066256022.db2.gz QEXGUXIOWHCBDY-UHFFFAOYSA-N 0 1 396.797 3.952 20 5 GHBDMN COc1ccc2[nH]c(NC(=O)c3cc(-c4ccc([N+](=O)[O-])cc4)n[nH]3)cc2c1 ZINC001466840734 1066346175 /nfs/dbraw/zinc/34/61/75/1066346175.db2.gz GPXROUIWUFOSAD-UHFFFAOYSA-N 0 1 377.360 3.727 20 5 GHBDMN COCCN(Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)[C@@H]1CC[C@@H](C)C1 ZINC001473436663 1067557727 /nfs/dbraw/zinc/55/77/27/1067557727.db2.gz VLETZYMMKOYBSL-TZMCWYRMSA-N 0 1 394.859 3.935 20 5 GHBDMN Cc1ccc([C@@H](CNC(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)N2CCCC2)o1 ZINC001468469281 1067742682 /nfs/dbraw/zinc/74/26/82/1067742682.db2.gz BLUVXVKVNLQSLX-CRAIPNDOSA-N 0 1 386.452 3.694 20 5 GHBDMN COc1ccc(OCCN2CCC[C@@H]2Cc2cc(F)ccc2F)c([N+](=O)[O-])c1 ZINC001460301015 1068914193 /nfs/dbraw/zinc/91/41/93/1068914193.db2.gz MTIRFKKXEDTSTA-MRXNPFEDSA-N 0 1 392.402 3.968 20 5 GHBDMN CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CCCCC[C@H]2CO)cc1OC ZINC001460315498 1068921091 /nfs/dbraw/zinc/92/10/91/1068921091.db2.gz RWGBEFIVKJKOMH-WBVHZDCISA-N 0 1 380.485 3.765 20 5 GHBDMN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CN[C@H]([C@H]1CCCO1)C1(CO)CCC1 ZINC001460317750 1068923058 /nfs/dbraw/zinc/92/30/58/1068923058.db2.gz UPAJEJDFIVOAGB-GDBMZVCRSA-N 0 1 389.279 3.701 20 5 GHBDMN Cc1cc(CNC(=O)C(F)(F)F)cc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC001472781754 1073663006 /nfs/dbraw/zinc/66/30/06/1073663006.db2.gz NKOPJHBXAPFBHX-UHFFFAOYSA-N 0 1 398.297 3.734 20 5 GHBDMN O=[N+]([O-])c1ccc(N2C[C@@H]3C[C@H]2CN3Cc2ccccc2)cc1OC(F)F ZINC001472844091 1073690275 /nfs/dbraw/zinc/69/02/75/1073690275.db2.gz DJQLTRLYAXZJQP-HOTGVXAUSA-N 0 1 375.375 3.659 20 5 GHBDMN COc1ccccc1C[C@@H](C)N(Cc1cn(C)nc1[N+](=O)[O-])Cc1ccccc1 ZINC001473139697 1073802361 /nfs/dbraw/zinc/80/23/61/1073802361.db2.gz ASTBOQRWCKZANJ-QGZVFWFLSA-N 0 1 394.475 3.970 20 5 GHBDMN Cc1ccc([C@H](CC(F)(F)F)NC[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC001473354065 1073933128 /nfs/dbraw/zinc/93/31/28/1073933128.db2.gz LVKNFXFXZGNQPL-CVEARBPZSA-N 0 1 398.381 3.926 20 5 GHBDMN C[C@](O)(CN1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)C(F)(F)C(F)(F)F ZINC001473486666 1073985846 /nfs/dbraw/zinc/98/58/46/1073985846.db2.gz MKUHUPBQPSOAKS-OCCSQVGLSA-N 0 1 382.329 3.723 20 5 GHBDMN COc1cc(Cl)c(C)cc1NC(=O)CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001473784698 1074141295 /nfs/dbraw/zinc/14/12/95/1074141295.db2.gz RWHSWACBTJIPQZ-GFCCVEGCSA-N 0 1 377.828 3.855 20 5 GHBDMN COCCOc1ccc(CNCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cn1 ZINC001473936610 1074211486 /nfs/dbraw/zinc/21/14/86/1074211486.db2.gz CXMAUNBFEWXNLS-UHFFFAOYSA-N 0 1 383.404 3.565 20 5 GHBDMN COC(=O)c1cc(C2CCN(C/C(C)=C\c3cccc([N+](=O)[O-])c3)CC2)no1 ZINC001474679618 1074511150 /nfs/dbraw/zinc/51/11/50/1074511150.db2.gz JJISFOOIYDBWGZ-UVTDQMKNSA-N 0 1 385.420 3.652 20 5 GHBDMN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNC[C@@H]1CCC2(CCOCC2)CO1 ZINC001474687131 1074515021 /nfs/dbraw/zinc/51/50/21/1074515021.db2.gz GSNQCGPDLXSAEL-AWEZNQCLSA-N 0 1 389.279 3.967 20 5 GHBDMN Cc1cc2c(o1)CC(C)(C)C[C@H]2NS(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC001474839663 1074587422 /nfs/dbraw/zinc/58/74/22/1074587422.db2.gz PGSUWHMPOOQXSG-GFCCVEGCSA-N 0 1 384.479 3.858 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@@H]1C[C@H]1c1ccsc1 ZINC001475579000 1074919302 /nfs/dbraw/zinc/91/93/02/1074919302.db2.gz OHEZYDHRGUMPQC-GXSJLCMTSA-N 0 1 393.273 3.798 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N[C@H](CF)c2ccc(F)cc2)c1 ZINC001475603754 1074925071 /nfs/dbraw/zinc/92/50/71/1074925071.db2.gz IOXRPYTZZAWXBX-GFCCVEGCSA-N 0 1 394.758 3.516 20 5 GHBDMN C[C@](CO)(Cc1ccc(F)cc1)NCc1cc([N+](=O)[O-])ccc1Br ZINC001620625015 1126242117 /nfs/dbraw/zinc/24/21/17/1126242117.db2.gz KBLHRQHQOMHBAN-QGZVFWFLSA-N 0 1 397.244 3.580 20 5 GHBDMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)C1 ZINC000833419593 604866435 /nfs/dbraw/zinc/86/64/35/604866435.db2.gz HCTMAJBBENBTMH-LLVKDONJSA-N 0 1 379.438 3.652 20 5 GHBDMN CCOc1cccc([C@H](C)NCC(=O)Nc2ccc(OCC)cc2[N+](=O)[O-])c1 ZINC000180713286 837481855 /nfs/dbraw/zinc/48/18/55/837481855.db2.gz KFNADNJRRUKKOQ-AWEZNQCLSA-N 0 1 387.436 3.682 20 5 GHBDMN Cc1cc(Cl)ccc1C[NH+]1CCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000581491805 837533729 /nfs/dbraw/zinc/53/37/29/837533729.db2.gz IADYNTJAVVTAIV-UHFFFAOYSA-N 0 1 389.839 3.577 20 5 GHBDMN CN(Cc1ccccc1)Cc1cccc(C(=O)N(C)c2ccc([N+](=O)[O-])nc2)c1 ZINC000584434006 834597548 /nfs/dbraw/zinc/59/75/48/834597548.db2.gz ZOAGXXSXHSLMBP-UHFFFAOYSA-N 0 1 390.443 3.898 20 5 GHBDMN CCCc1c(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cnn1-c1ccc(F)cc1 ZINC000430171031 834741626 /nfs/dbraw/zinc/74/16/26/834741626.db2.gz RSVMDFRAQFIAEG-UHFFFAOYSA-N 0 1 384.367 3.830 20 5 GHBDMN COc1cccc([C@H](CNC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)N(C)C)c1 ZINC000120239583 834960414 /nfs/dbraw/zinc/96/04/14/834960414.db2.gz AKNCHOXQQYUOPU-IBGZPJMESA-N 0 1 386.452 3.645 20 5 GHBDMN CC[C@@H](C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)N(C)Cc1ccccc1 ZINC000583843866 835134231 /nfs/dbraw/zinc/13/42/31/835134231.db2.gz IHEWIXAYFJJZFA-NRFANRHFSA-N 0 1 381.476 3.996 20 5 GHBDMN COc1cccc(-c2nsc(NC(=O)c3cc(F)cc(C)c3[N+](=O)[O-])n2)c1 ZINC000176804377 835410106 /nfs/dbraw/zinc/41/01/06/835410106.db2.gz ZHHLTURWWWQKIM-UHFFFAOYSA-N 0 1 388.380 3.822 20 5 GHBDMN CCc1c(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)cnn1C(CC)CC ZINC000480251940 835546922 /nfs/dbraw/zinc/54/69/22/835546922.db2.gz UIDKZSLWCMETEF-UHFFFAOYSA-N 0 1 396.469 3.524 20 5 GHBDMN CCN(CC)Cc1ccc(C(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)o1 ZINC000610233914 835556700 /nfs/dbraw/zinc/55/67/00/835556700.db2.gz JMONIGOIEBZXCC-IBGZPJMESA-N 0 1 389.477 3.917 20 5 GHBDMN CC[C@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccccc1OC(F)F ZINC000179720247 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XQBOUARYFHRYNS-MRXNPFEDSA-N 0 1 391.518 3.702 20 5 GHBDMN C[C@H](NCC(=O)N[C@@H](c1nccs1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180459249 837282012 /nfs/dbraw/zinc/28/20/12/837282012.db2.gz VRGZLECOVFIFNT-IFXJQAMLSA-N 0 1 396.472 3.608 20 5 GHBDMN Cc1cccnc1[C@H](NCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C(C)C ZINC000120906740 837348081 /nfs/dbraw/zinc/34/80/81/837348081.db2.gz WHHXUVJVEXOUPW-QGZVFWFLSA-N 0 1 376.844 3.877 20 5 GHBDMN O=[N+]([O-])c1ccc2oc(CN3CCC(c4c[nH]c5ncccc45)CC3)nc2c1 ZINC000177078844 837858846 /nfs/dbraw/zinc/85/88/46/837858846.db2.gz SVDBPGIICKNEPU-UHFFFAOYSA-N 0 1 377.404 3.992 20 5 GHBDMN O=C(NCCc1csc(-c2ccccc2)n1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000177567539 837970415 /nfs/dbraw/zinc/97/04/15/837970415.db2.gz QYFGXFNLDILEPV-UHFFFAOYSA-N 0 1 393.428 3.567 20 5 GHBDMN CCC[C@@H](N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000189059850 838192882 /nfs/dbraw/zinc/19/28/82/838192882.db2.gz FKKPGUHZBDZCPE-WOJBJXKFSA-N 0 1 385.439 3.966 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000122860175 838447853 /nfs/dbraw/zinc/44/78/53/838447853.db2.gz RUZQXOXKLVVLCR-INIZCTEOSA-N 0 1 388.424 3.545 20 5 GHBDMN O=C(Nc1ccc2nc(-c3cccc(F)c3)[nH]c2c1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000472936554 838483113 /nfs/dbraw/zinc/48/31/13/838483113.db2.gz DYMOIGLOOCCBEC-UHFFFAOYSA-N 0 1 393.334 3.630 20 5 GHBDMN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000175894275 838873029 /nfs/dbraw/zinc/87/30/29/838873029.db2.gz FIOOICLDZOIZSZ-OAHLLOKOSA-N 0 1 387.867 3.985 20 5 GHBDMN O=[N+]([O-])c1ccc(NCc2n[nH]c(COc3ccccc3)n2)c(OC(F)F)c1 ZINC000472652395 838892310 /nfs/dbraw/zinc/89/23/10/838892310.db2.gz IGTUQTBRQAOKIT-UHFFFAOYSA-N 0 1 391.334 3.505 20 5 GHBDMN CC(=O)Nc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)c2ccccc12 ZINC000182258960 839078715 /nfs/dbraw/zinc/07/87/15/839078715.db2.gz KYZPWHZKCZPHIV-UHFFFAOYSA-N 0 1 399.428 3.816 20 5 GHBDMN Cc1cc(CN2CCSCC2)ccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000109891591 839476366 /nfs/dbraw/zinc/47/63/66/839476366.db2.gz VLYFZFLPCQDMSE-UHFFFAOYSA-N 0 1 385.489 3.633 20 5 GHBDMN O=[N+]([O-])c1cc(CN2CCC[C@@H]2C[C@H](O)c2cccs2)c2c(c1)COCO2 ZINC000175819347 839633507 /nfs/dbraw/zinc/63/35/07/839633507.db2.gz MJIWYLCRDFPJMG-WBVHZDCISA-N 0 1 390.461 3.611 20 5 GHBDMN CC[C@@H](CS(=O)(=O)c1ccccc1)N[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000181659312 840629257 /nfs/dbraw/zinc/62/92/57/840629257.db2.gz XFFZWYKUEWEUKK-CVEARBPZSA-N 0 1 376.478 3.806 20 5 GHBDMN COc1ccc(NC(=O)CN2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)c([N+](=O)[O-])c1 ZINC000511841048 840914581 /nfs/dbraw/zinc/91/45/81/840914581.db2.gz FKLBGTZBHMHDOE-QWFCFKBJSA-N 0 1 395.459 3.810 20 5 GHBDMN Cc1ccc([N+](=O)[O-])c(C(=O)N(C)C2CCN(CCC(F)(F)F)CC2)c1C ZINC000891389067 841353158 /nfs/dbraw/zinc/35/31/58/841353158.db2.gz VXTJGEPLENKPGN-UHFFFAOYSA-N 0 1 387.402 3.700 20 5 GHBDMN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@H]2c2cccc(Cl)c2)c1 ZINC000603840649 861247042 /nfs/dbraw/zinc/24/70/42/861247042.db2.gz PGKDOSOPXLWCMQ-MJGOQNOKSA-N 0 1 376.840 3.825 20 5 GHBDMN O=[N+]([O-])c1ccc(O)cc1CN[C@H]1CCOc2c(Br)cccc21 ZINC000500448348 842033749 /nfs/dbraw/zinc/03/37/49/842033749.db2.gz QAQDUVDSJVGWBQ-AWEZNQCLSA-N 0 1 379.210 3.676 20 5 GHBDMN Cc1cc(F)cc(C(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000157456540 842106986 /nfs/dbraw/zinc/10/69/86/842106986.db2.gz QFWQIWFCICENJG-INIZCTEOSA-N 0 1 385.439 3.779 20 5 GHBDMN Cc1ccc(CN2CC[C@H](Nc3cc(C)nc4ccc([N+](=O)[O-])cc43)C2=O)cc1 ZINC000302748873 861347947 /nfs/dbraw/zinc/34/79/47/861347947.db2.gz UKIBNROGZKDFCA-FQEVSTJZSA-N 0 1 390.443 3.973 20 5 GHBDMN COC(=O)[C@@H](C)CN(Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccccc1 ZINC000610581532 843072080 /nfs/dbraw/zinc/07/20/80/843072080.db2.gz QBQLRNGFMUIDHK-AWEZNQCLSA-N 0 1 383.404 3.547 20 5 GHBDMN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610580876 843075564 /nfs/dbraw/zinc/07/55/64/843075564.db2.gz SBFDVIHTIQKGJM-ZDUSSCGKSA-N 0 1 378.392 3.510 20 5 GHBDMN COc1ccc(S(=O)(=O)Nc2ccc(F)cc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000150823561 843320263 /nfs/dbraw/zinc/32/02/63/843320263.db2.gz RMNILLWIJSDYHX-UHFFFAOYSA-N 0 1 394.302 3.562 20 5 GHBDMN COc1ccc(-c2ccc(CNCc3cnn4ccccc34)o2)c([N+](=O)[O-])c1 ZINC000512885022 843938830 /nfs/dbraw/zinc/93/88/30/843938830.db2.gz JGDFPAFAXGIYQI-UHFFFAOYSA-N 0 1 378.388 3.801 20 5 GHBDMN Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Cl)c(C[NH+](C)C)c2)c1[N+](=O)[O-] ZINC000500776475 844001494 /nfs/dbraw/zinc/00/14/94/844001494.db2.gz DALKXTMXNGOFIM-UHFFFAOYSA-N 0 1 397.884 3.727 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N(C)C[C@H]2CCCO[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000610921147 844851367 /nfs/dbraw/zinc/85/13/67/844851367.db2.gz NOOBBVGAZVOTJG-BEFAXECRSA-N 0 1 386.452 3.681 20 5 GHBDMN CN1CC[NH+](Cc2ccc(CNc3nc4ccc([N+](=O)[O-])cc4s3)cc2)CC1 ZINC000731206819 861513083 /nfs/dbraw/zinc/51/30/83/861513083.db2.gz VABGSQPAQQVGDO-UHFFFAOYSA-N 0 1 397.504 3.564 20 5 GHBDMN COC[C@@H](C)N(CC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@@H]1CCc2ccccc21 ZINC000599683285 861522108 /nfs/dbraw/zinc/52/21/08/861522108.db2.gz QLDXEELFASYQQH-VQIMIIECSA-N 0 1 397.475 3.866 20 5 GHBDMN Cc1ccc2nc([C@H]3CCCN3C(=O)c3[nH]nc(C(C)C)c3[N+](=O)[O-])[nH]c2c1 ZINC000433746705 845266853 /nfs/dbraw/zinc/26/68/53/845266853.db2.gz ATDCFPZNNYPXDA-CQSZACIVSA-N 0 1 382.424 3.603 20 5 GHBDMN Cc1ccc2[nH]c([C@H]3CCCN3C(=O)c3n[nH]c(C(C)C)c3[N+](=O)[O-])nc2c1 ZINC000433746705 845266858 /nfs/dbraw/zinc/26/68/58/845266858.db2.gz ATDCFPZNNYPXDA-CQSZACIVSA-N 0 1 382.424 3.603 20 5 GHBDMN Cc1ccc2nc([C@H]3CCCN3C(=O)c3n[nH]c(C(C)C)c3[N+](=O)[O-])[nH]c2c1 ZINC000433746705 845266868 /nfs/dbraw/zinc/26/68/68/845266868.db2.gz ATDCFPZNNYPXDA-CQSZACIVSA-N 0 1 382.424 3.603 20 5 GHBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H](C)c1ccc(OC(F)F)cc1 ZINC000539220507 845989660 /nfs/dbraw/zinc/98/96/60/845989660.db2.gz YRRORRGZBCFQQH-LBPRGKRZSA-N 0 1 379.363 3.794 20 5 GHBDMN CCC[N@@H+](CC(=O)[O-])Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000263431671 846228755 /nfs/dbraw/zinc/22/87/55/846228755.db2.gz SIEONYOMXQOLKS-UHFFFAOYSA-N 0 1 397.225 3.914 20 5 GHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(N3CCCC3)c(F)c2)c(Cl)c1 ZINC000119801855 846292806 /nfs/dbraw/zinc/29/28/06/846292806.db2.gz HXYGULSTFJFHJZ-UHFFFAOYSA-N 0 1 399.831 3.788 20 5 GHBDMN Cc1cc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)c(Cl)cc1F ZINC000133627001 846767403 /nfs/dbraw/zinc/76/74/03/846767403.db2.gz YTYUAJJCNHTZIL-UHFFFAOYSA-N 0 1 375.747 3.733 20 5 GHBDMN CCN(CC)[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)c1ccco1 ZINC000599830100 861755283 /nfs/dbraw/zinc/75/52/83/861755283.db2.gz QJEGUBXLNCINAO-GOSISDBHSA-N 0 1 397.435 3.941 20 5 GHBDMN O=C1C[C@H](NCc2ccccc2[N+](=O)[O-])CN1Cc1ccccc1C(F)(F)F ZINC000183811195 847175503 /nfs/dbraw/zinc/17/55/03/847175503.db2.gz NLLLKYZFJIQSPU-HNNXBMFYSA-N 0 1 393.365 3.504 20 5 GHBDMN O=C(CCN1CCC(c2ncccc2Cl)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000501925436 847326036 /nfs/dbraw/zinc/32/60/36/847326036.db2.gz FTOSDSMIGUIQKM-UHFFFAOYSA-N 0 1 388.855 3.851 20 5 GHBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@]3(CCOC3)C2)cc1OC ZINC000611667186 847852438 /nfs/dbraw/zinc/85/24/38/847852438.db2.gz DGRUJKHXZDJMCG-YWZLYKJASA-N 0 1 378.469 3.641 20 5 GHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H]2CCCc3c4ccccc4[nH]c32)cc1 ZINC000582630080 847864190 /nfs/dbraw/zinc/86/41/90/847864190.db2.gz RTRXANNMEKZXGZ-IBGZPJMESA-N 0 1 399.472 3.517 20 5 GHBDMN CC[C@H](C)c1nc([C@H](C)NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000277857732 848249413 /nfs/dbraw/zinc/24/94/13/848249413.db2.gz NWSOEQPTHNPKEW-SDDRHHMPSA-N 0 1 377.470 3.584 20 5 GHBDMN CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H](c1ccccc1OC)N1CCCCC1 ZINC000583105022 849069978 /nfs/dbraw/zinc/06/99/78/849069978.db2.gz DDXQYTCIBJUUEO-KRWDZBQOSA-N 0 1 387.484 3.767 20 5 GHBDMN CC1(C)C[C@@H](NCC(=O)N[C@@H]2CCOc3ccccc32)c2cc([N+](=O)[O-])ccc21 ZINC000503904798 849751936 /nfs/dbraw/zinc/75/19/36/849751936.db2.gz UKIGDZBCALUQHY-RTBURBONSA-N 0 1 395.459 3.547 20 5 GHBDMN CCCN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000504227508 849979785 /nfs/dbraw/zinc/97/97/85/849979785.db2.gz HPCRIXVCOSCKCD-AWEZNQCLSA-N 0 1 385.420 3.570 20 5 GHBDMN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CCNC[C@@H]1c1ccccc1 ZINC000423993015 850126517 /nfs/dbraw/zinc/12/65/17/850126517.db2.gz GYHADFLEAZIRSR-MRXNPFEDSA-N 0 1 391.880 3.513 20 5 GHBDMN O=[N+]([O-])c1ccc2c(cnn2CN2CCC(CN3CCc4ccccc43)CC2)c1 ZINC000732187815 862113053 /nfs/dbraw/zinc/11/30/53/862113053.db2.gz XQSOSYNWWMDSPY-UHFFFAOYSA-N 0 1 391.475 3.677 20 5 GHBDMN COc1ccc(NC(=O)[C@H](C)N[C@@H](C)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000027537250 850313968 /nfs/dbraw/zinc/31/39/68/850313968.db2.gz OEIKOQBGMLFQBP-RYUDHWBXSA-N 0 1 377.828 3.935 20 5 GHBDMN CC[C@@H](N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(OC)c(OC)c1 ZINC000506668203 850336819 /nfs/dbraw/zinc/33/68/19/850336819.db2.gz HFQKCJKBRKKVOJ-DZGCQCFKSA-N 0 1 387.436 3.680 20 5 GHBDMN CCOc1ccc([C@H](C)N[C@@H]2CCCN(c3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000504899241 850403690 /nfs/dbraw/zinc/40/36/90/850403690.db2.gz CPCSQWKKLOPADO-MAUKXSAKSA-N 0 1 383.448 3.840 20 5 GHBDMN CC(C)C[C@@H](C)Oc1cc(CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)ccn1 ZINC000518964622 850410875 /nfs/dbraw/zinc/41/08/75/850410875.db2.gz ARRHZIBCSQLDBF-CYBMUJFWSA-N 0 1 397.435 3.610 20 5 GHBDMN CC(C)C[C@H](C)Oc1cc(CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)ccn1 ZINC000518964625 850411183 /nfs/dbraw/zinc/41/11/83/850411183.db2.gz ARRHZIBCSQLDBF-ZDUSSCGKSA-N 0 1 397.435 3.610 20 5 GHBDMN COc1cccc([C@@H](CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)N(C)C)c1 ZINC000027595090 850473739 /nfs/dbraw/zinc/47/37/39/850473739.db2.gz GASOQDHYMWMYBH-QGZVFWFLSA-N 0 1 399.472 3.851 20 5 GHBDMN CCOc1cc(C)ccc1CNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000153467520 862131968 /nfs/dbraw/zinc/13/19/68/862131968.db2.gz QGONNIMGQPHWKD-UHFFFAOYSA-N 0 1 380.448 3.992 20 5 GHBDMN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)c1n[nH]c([C@H](C)CC)n1 ZINC000439935479 850606416 /nfs/dbraw/zinc/60/64/16/850606416.db2.gz UUEQJUPLZBDLOV-GHMZBOCLSA-N 0 1 376.417 3.508 20 5 GHBDMN Cc1ccc(C[N@@H+]2CC[C@H](CN(C)c3cc(C(=O)[O-])ccc3[N+](=O)[O-])C2)s1 ZINC000910377948 851176833 /nfs/dbraw/zinc/17/68/33/851176833.db2.gz AVDBARSMCIBPNC-CQSZACIVSA-N 0 1 389.477 3.621 20 5 GHBDMN O=C(CCN(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccc2c(c1)OCCO2 ZINC000488207705 851270128 /nfs/dbraw/zinc/27/01/28/851270128.db2.gz ZDBFKLKWVAYOIX-UHFFFAOYSA-N 0 1 382.416 3.603 20 5 GHBDMN CC(C)(C)N1CCc2nc(NC(=O)Cc3ccc([N+](=O)[O-])cc3F)sc2C1 ZINC000425091595 851277495 /nfs/dbraw/zinc/27/74/95/851277495.db2.gz YYCCVQDFZLWGSJ-UHFFFAOYSA-N 0 1 392.456 3.528 20 5 GHBDMN C[C@H](C1CC1)N(CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C1CC1 ZINC000434614539 851350668 /nfs/dbraw/zinc/35/06/68/851350668.db2.gz AFFKJKTWVCHPSR-GFCCVEGCSA-N 0 1 386.477 3.920 20 5 GHBDMN O=C(NCc1cccc(COc2ccccc2)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000505793112 851460659 /nfs/dbraw/zinc/46/06/59/851460659.db2.gz QHNNFXSWMMBZBS-UHFFFAOYSA-N 0 1 378.384 3.809 20 5 GHBDMN CCCCOc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)c(C)c1 ZINC000516020420 852070411 /nfs/dbraw/zinc/07/04/11/852070411.db2.gz ZLLUBTPOCXFDAK-UHFFFAOYSA-N 0 1 394.449 3.892 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2ccc(CN3CCC(Oc4cnccn4)CC3)o2)c1 ZINC000425957921 852118519 /nfs/dbraw/zinc/11/85/19/852118519.db2.gz KXDPOCIPVRWNCA-UHFFFAOYSA-N 0 1 380.404 3.688 20 5 GHBDMN O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000516070938 852136175 /nfs/dbraw/zinc/13/61/75/852136175.db2.gz WNGLSFOWGFPOSC-ZDUSSCGKSA-N 0 1 375.450 3.679 20 5 GHBDMN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1n[nH]c([C@@H](C)CC)n1 ZINC000489242269 852158119 /nfs/dbraw/zinc/15/81/19/852158119.db2.gz ZTUWFICIPZVPKH-WDEREUQCSA-N 0 1 377.470 3.829 20 5 GHBDMN Cc1c(NC(=O)[C@@H](C)Sc2nc(-c3ccccc3O)n[nH]2)cccc1[N+](=O)[O-] ZINC000436852369 852421221 /nfs/dbraw/zinc/42/12/21/852421221.db2.gz IFSZZTFQWMWYAE-LLVKDONJSA-N 0 1 399.432 3.513 20 5 GHBDMN CC(=O)c1ccc(O)c(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1 ZINC000436872157 852435555 /nfs/dbraw/zinc/43/55/55/852435555.db2.gz SPWCJWTYBOUTEO-UHFFFAOYSA-N 0 1 386.407 3.702 20 5 GHBDMN C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436951016 852525176 /nfs/dbraw/zinc/52/51/76/852525176.db2.gz QTTKRXCVWYBJFV-HNNXBMFYSA-N 0 1 383.448 3.605 20 5 GHBDMN Cn1ccnc1[C@H](NC[C@H]1CCCO[C@H]1C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000517906569 852606554 /nfs/dbraw/zinc/60/65/54/852606554.db2.gz DCXOQWXMUNTAQQ-BHIYHBOVSA-N 0 1 386.496 3.849 20 5 GHBDMN C[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccc(OCC(F)(F)F)cc1 ZINC000505930896 852627479 /nfs/dbraw/zinc/62/74/79/852627479.db2.gz UFKFODRNZVWJLI-JTQLQIEISA-N 0 1 384.310 3.733 20 5 GHBDMN O=C([O-])c1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000517942146 852639490 /nfs/dbraw/zinc/63/94/90/852639490.db2.gz HHFUSGZYJIWOFE-RBUKOAKNSA-N 0 1 395.459 3.784 20 5 GHBDMN COc1ccc(NC(=O)[C@H](C)N2CC[C@H](c3ccccc3C)C2)c([N+](=O)[O-])c1 ZINC000507195657 852666676 /nfs/dbraw/zinc/66/66/76/852666676.db2.gz KELYCWGNDXLLJJ-HOTGVXAUSA-N 0 1 383.448 3.728 20 5 GHBDMN CCOC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000427109117 852736217 /nfs/dbraw/zinc/73/62/17/852736217.db2.gz PSDOSXLRTOCSLD-UHFFFAOYSA-N 0 1 398.824 3.534 20 5 GHBDMN Cc1ccc([C@@H](CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)N2CCCC2)o1 ZINC000506346415 852813296 /nfs/dbraw/zinc/81/32/96/852813296.db2.gz JTTRTMMKNUXHIF-GOSISDBHSA-N 0 1 382.420 3.544 20 5 GHBDMN C[C@H]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000437500691 853203822 /nfs/dbraw/zinc/20/38/22/853203822.db2.gz XVKDYBFAMFZHOV-HNNXBMFYSA-N 0 1 387.867 3.985 20 5 GHBDMN C[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)N1CCC(Cc2ccccc2)CC1 ZINC000518388107 853293983 /nfs/dbraw/zinc/29/39/83/853293983.db2.gz RJRNFLLJFHTFBY-KRWDZBQOSA-N 0 1 381.476 3.554 20 5 GHBDMN CCN(C(=O)c1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CCN(Cc2ccccc2)C1 ZINC000760652748 853581370 /nfs/dbraw/zinc/58/13/70/853581370.db2.gz GCOCGPBNUQTJOZ-QGZVFWFLSA-N 0 1 387.867 3.985 20 5 GHBDMN Cc1ccc([C@@H](C)N[C@H](C)c2cccc(NS(C)(=O)=O)c2)cc1[N+](=O)[O-] ZINC000164243990 853797854 /nfs/dbraw/zinc/79/78/54/853797854.db2.gz WLKUXPGATHABPD-ZIAGYGMSSA-N 0 1 377.466 3.687 20 5 GHBDMN COc1ccc(C[C@@H]2CCCN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)cc1 ZINC000520262432 854013513 /nfs/dbraw/zinc/01/35/13/854013513.db2.gz CBOIOSLRISGUEB-KRWDZBQOSA-N 0 1 398.459 3.925 20 5 GHBDMN COCC(=O)Nc1cccc(CN[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c1 ZINC000572462417 854534634 /nfs/dbraw/zinc/53/46/34/854534634.db2.gz HMULSYUCOICAQH-IBGZPJMESA-N 0 1 383.448 3.692 20 5 GHBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN2C[C@H](C)C[C@@H]2c2cccc(OC)c2)c1 ZINC000589510601 854972352 /nfs/dbraw/zinc/97/23/52/854972352.db2.gz NKAPOURDHNONMM-JLTOFOAXSA-N 0 1 384.432 3.973 20 5 GHBDMN Cc1nc(-c2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3C)cc2)oc1C ZINC000057120438 855224530 /nfs/dbraw/zinc/22/45/30/855224530.db2.gz IOGYRUAEDXRFBF-UHFFFAOYSA-N 0 1 387.417 3.976 20 5 GHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCn2cccc2[C@H]1c1ccccc1 ZINC000057259197 855313701 /nfs/dbraw/zinc/31/37/01/855313701.db2.gz MUOOFPOXWOUBNO-HXUWFJFHSA-N 0 1 387.399 3.518 20 5 GHBDMN O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000542718174 855540435 /nfs/dbraw/zinc/54/04/35/855540435.db2.gz RRIKXYOJJZJZRA-INIZCTEOSA-N 0 1 396.382 3.888 20 5 GHBDMN O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000542718174 855540437 /nfs/dbraw/zinc/54/04/37/855540437.db2.gz RRIKXYOJJZJZRA-INIZCTEOSA-N 0 1 396.382 3.888 20 5 GHBDMN O=C(Nc1cccc(Cl)c1O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000172110521 856339856 /nfs/dbraw/zinc/33/98/56/856339856.db2.gz ZYASJGOPVMVVLA-UHFFFAOYSA-N 0 1 375.812 3.809 20 5 GHBDMN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc2nc(-c3ccccn3)[nH]c2c1 ZINC000172295482 856393200 /nfs/dbraw/zinc/39/32/00/856393200.db2.gz GYPVUYWGQWUEND-UHFFFAOYSA-N 0 1 389.371 3.551 20 5 GHBDMN Cc1cc2[nH]ncc2cc1NC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000760913592 856418021 /nfs/dbraw/zinc/41/80/21/856418021.db2.gz KEORJHKLEFPMIX-UHFFFAOYSA-N 0 1 375.182 3.794 20 5 GHBDMN CN(C)[C@@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000184839719 856454945 /nfs/dbraw/zinc/45/49/45/856454945.db2.gz GKLGFKYJRQJDBH-INIZCTEOSA-N 0 1 399.344 3.785 20 5 GHBDMN O=[N+]([O-])c1c(N2CCN(Cc3cccc4ccccc43)CC2)nc2sccn21 ZINC000058304101 856566224 /nfs/dbraw/zinc/56/62/24/856566224.db2.gz NSNUHKRKWQFEFE-UHFFFAOYSA-N 0 1 393.472 3.779 20 5 GHBDMN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2N[C@@H]2CCOc3c(F)ccc(F)c32)n1 ZINC000462950384 856662639 /nfs/dbraw/zinc/66/26/39/856662639.db2.gz QYAJWIFLCMNGQK-RRFJBIMHSA-N 0 1 378.379 3.667 20 5 GHBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCC(CCO)CC2)cc1OC ZINC000542916892 856802081 /nfs/dbraw/zinc/80/20/81/856802081.db2.gz YQPJYIAKLJOZLQ-HNNXBMFYSA-N 0 1 380.485 3.623 20 5 GHBDMN C[C@@]1(c2ccccc2)CCCN(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000733300634 862845821 /nfs/dbraw/zinc/84/58/21/862845821.db2.gz UULBQULAOXMTAO-OAQYLSRUSA-N 0 1 377.448 3.865 20 5 GHBDMN COc1cccc([C@H]2[C@@H](NC(=O)c3cc([N+](=O)[O-])ccc3C)CCN2C2CC2)c1 ZINC000245554275 856955511 /nfs/dbraw/zinc/95/55/11/856955511.db2.gz SBSFGDMUDAHNGA-SFTDATJTSA-N 0 1 395.459 3.620 20 5 GHBDMN CN1CC[C@H](CNC(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245641199 857034068 /nfs/dbraw/zinc/03/40/68/857034068.db2.gz ALKYBNXGSSURQE-RDTXWAMCSA-N 0 1 391.830 3.810 20 5 GHBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@H](c2ccccc2)C2(CO)CCCC2)c1 ZINC000593033272 857188046 /nfs/dbraw/zinc/18/80/46/857188046.db2.gz LCXFEGOHFQAQOD-HXUWFJFHSA-N 0 1 398.459 3.765 20 5 GHBDMN Cc1ccc(S(=O)(=O)N[C@@H](c2ccc(F)cc2)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000486009871 857329991 /nfs/dbraw/zinc/32/99/91/857329991.db2.gz UXBIZVAOVIJNBY-AWEZNQCLSA-N 0 1 392.330 3.624 20 5 GHBDMN C[C@H](NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)c1nnc[nH]1 ZINC000174546830 857341644 /nfs/dbraw/zinc/34/16/44/857341644.db2.gz BFNGDVXAENSIRP-JTQLQIEISA-N 0 1 387.783 3.650 20 5 GHBDMN Cc1cc(S(=O)(=O)Nc2cccc(Oc3ccccn3)c2)ccc1[N+](=O)[O-] ZINC000174771887 857381620 /nfs/dbraw/zinc/38/16/20/857381620.db2.gz BREFKIYEDZPGLB-UHFFFAOYSA-N 0 1 385.401 3.891 20 5 GHBDMN CC(C)Oc1ccc([C@@H](C)N[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000520993121 857491587 /nfs/dbraw/zinc/49/15/87/857491587.db2.gz AEKNCVHSWNMXJS-FOIQADDNSA-N 0 1 383.448 3.838 20 5 GHBDMN CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)[C@@H]1CCOC1 ZINC000132112766 857702329 /nfs/dbraw/zinc/70/23/29/857702329.db2.gz HNMZTWPIAPKIQZ-GFCCVEGCSA-N 0 1 381.226 3.838 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1 ZINC000065857081 857829967 /nfs/dbraw/zinc/82/99/67/857829967.db2.gz DQZYZMFQOMAWTR-QGZVFWFLSA-N 0 1 382.376 3.584 20 5 GHBDMN Cc1ccc(Br)c(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000121025162 857875935 /nfs/dbraw/zinc/87/59/35/857875935.db2.gz HJXICMGYZMCJRA-UHFFFAOYSA-N 0 1 377.241 3.528 20 5 GHBDMN C[C@H]1CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)CC2(CCCCC2)O1 ZINC000594414070 858181435 /nfs/dbraw/zinc/18/14/35/858181435.db2.gz GOVYFBVVPRXTGU-AWEZNQCLSA-N 0 1 384.436 3.549 20 5 GHBDMN Cc1ccc(C(C)C)c(Oc2ccc(CN[C@H]3CCNC3=O)cc2[N+](=O)[O-])c1 ZINC000594963980 858347665 /nfs/dbraw/zinc/34/76/65/858347665.db2.gz NHBNTNXQBVRJKB-KRWDZBQOSA-N 0 1 383.448 3.797 20 5 GHBDMN C[C@H](c1ccccc1)[C@@H](O)CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000594999578 858361870 /nfs/dbraw/zinc/36/18/70/858361870.db2.gz BYUSBTRXAUZCPY-KUHUBIRLSA-N 0 1 383.473 3.973 20 5 GHBDMN O=C1N(CCN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C[C@H]2CCCCN12 ZINC000595105849 858406627 /nfs/dbraw/zinc/40/66/27/858406627.db2.gz TTYCJLGBXMZARZ-RTWAWAEBSA-N 0 1 394.475 3.564 20 5 GHBDMN O=[N+]([O-])c1ccc2[nH]c(CN(CCCO)[C@@H]3CCCc4ccccc43)nc2c1 ZINC000482697271 858772724 /nfs/dbraw/zinc/77/27/24/858772724.db2.gz VVOWQMMJKMRKKM-HXUWFJFHSA-N 0 1 380.448 3.733 20 5 GHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)CCNCc2cccc(-c3ccccc3)c2)cc1 ZINC000543640350 859167822 /nfs/dbraw/zinc/16/78/22/859167822.db2.gz FCHVBXSXLLRAKF-UHFFFAOYSA-N 0 1 396.468 3.825 20 5 GHBDMN O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000248557582 859184482 /nfs/dbraw/zinc/18/44/82/859184482.db2.gz LYAULXUTPQPDOF-COXVUDFISA-N 0 1 385.420 3.510 20 5 GHBDMN Cc1ccc(CN2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)cc1[N+](=O)[O-] ZINC000509373343 859210130 /nfs/dbraw/zinc/21/01/30/859210130.db2.gz PJHAYILXIAJDJH-OAHLLOKOSA-N 0 1 388.855 3.802 20 5 GHBDMN Cc1ccc(CNCc2cc(Cl)ccc2N2CCOCC2)cc1[N+](=O)[O-] ZINC000466361641 859224848 /nfs/dbraw/zinc/22/48/48/859224848.db2.gz XJBKUULXOQOGCV-UHFFFAOYSA-N 0 1 375.856 3.683 20 5 GHBDMN CCN1CCN(c2ccccc2NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000764161694 859247585 /nfs/dbraw/zinc/24/75/85/859247585.db2.gz KTDJFSVEABVFTJ-UHFFFAOYSA-N 0 1 388.855 3.642 20 5 GHBDMN CCO[C@H]1C[C@H](N(C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)C12CCCC2 ZINC000121133799 859359016 /nfs/dbraw/zinc/35/90/16/859359016.db2.gz BNSPPLFPBIGKOO-ROUUACIJSA-N 0 1 376.453 3.631 20 5 GHBDMN O=C1CC[C@@H]2CN(Cc3ccc(Oc4ccc(F)cc4)c([N+](=O)[O-])c3)CC[C@@H]2N1 ZINC000597204655 859359944 /nfs/dbraw/zinc/35/99/44/859359944.db2.gz CEZYVLYTRAXCRB-QAPCUYQASA-N 0 1 399.422 3.627 20 5 GHBDMN Cc1cc(Br)c(F)cc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000317111602 859382841 /nfs/dbraw/zinc/38/28/41/859382841.db2.gz DFVHYFZRRCEMCU-UHFFFAOYSA-N 0 1 389.202 3.606 20 5 GHBDMN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c3cccnc23)cc1[N+](=O)[O-] ZINC000042676935 859606003 /nfs/dbraw/zinc/60/60/03/859606003.db2.gz UKALVOHZKYFKJV-UHFFFAOYSA-N 0 1 377.809 3.906 20 5 GHBDMN C[C@H]1CN(Cc2ccccc2)[C@@H](C)CN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000611236040 859658178 /nfs/dbraw/zinc/65/81/78/859658178.db2.gz NNRUAXMGLRUZIS-HOTGVXAUSA-N 0 1 380.448 3.831 20 5 GHBDMN O=[N+]([O-])c1cc2c(cc1CN1CCC(c3c[nH]c4ncccc34)CC1)OCCO2 ZINC000611260932 859671061 /nfs/dbraw/zinc/67/10/61/859671061.db2.gz ZJBNXPHZKBAKNJ-UHFFFAOYSA-N 0 1 394.431 3.622 20 5 GHBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)[C@@H]1CCc2c1cccc2Cl ZINC000611442243 859763259 /nfs/dbraw/zinc/76/32/59/859763259.db2.gz FKINBLJYSWVTSN-CQSZACIVSA-N 0 1 383.795 3.702 20 5 GHBDMN COc1ccc([C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c2ccccc2)cc1 ZINC000611553516 859809956 /nfs/dbraw/zinc/80/99/56/859809956.db2.gz LMOLYKVCYNXPGT-FQEVSTJZSA-N 0 1 378.384 3.828 20 5 GHBDMN CC1(C)C[C@H](N(Cc2ccccc2)C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CO1 ZINC000597931708 859941749 /nfs/dbraw/zinc/94/17/49/859941749.db2.gz UWCLLJSHKNVQKM-INIZCTEOSA-N 0 1 394.431 3.681 20 5 GHBDMN CCc1[nH]nc(C(=O)N2CCC[C@]2(C)Cc2ccccc2Cl)c1[N+](=O)[O-] ZINC000597945643 859950380 /nfs/dbraw/zinc/95/03/80/859950380.db2.gz STKROHORHISMHZ-GOSISDBHSA-N 0 1 376.844 3.771 20 5 GHBDMN CN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000388415236 859962409 /nfs/dbraw/zinc/96/24/09/859962409.db2.gz PIFOIQSDMBAJTL-KRWDZBQOSA-N 0 1 387.867 3.985 20 5 GHBDMN CO[C@@H]1C[C@@H](N[C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1(C)C ZINC001170384416 881494975 /nfs/dbraw/zinc/49/49/75/881494975.db2.gz BILPHKVXVDUYPJ-VAMGGRTRSA-N 0 1 397.475 3.986 20 5 GHBDMN CCCc1[nH]nc(C(=O)N2CCc3nc(-c4ccccc4)sc3C2)c1[N+](=O)[O-] ZINC000598115413 860058885 /nfs/dbraw/zinc/05/88/85/860058885.db2.gz LGDRWORVKWALJJ-UHFFFAOYSA-N 0 1 397.460 3.592 20 5 GHBDMN CCOc1cccc(N2CCN([C@@H](C)Cc3ccc(OC)cc3[N+](=O)[O-])CC2)c1 ZINC001170351611 881498602 /nfs/dbraw/zinc/49/86/02/881498602.db2.gz GLOIQONCRAVAKG-KRWDZBQOSA-N 0 1 399.491 3.755 20 5 GHBDMN O=[N+]([O-])c1ccc(Cl)c(CNCCNc2ccc(-c3ccccc3)nn2)c1 ZINC000727644810 860174982 /nfs/dbraw/zinc/17/49/82/860174982.db2.gz SHQNXAJBTBSMEQ-UHFFFAOYSA-N 0 1 383.839 3.907 20 5 GHBDMN CC[C@H](C)c1nc([C@@H](C)NCc2cc(Br)c([N+](=O)[O-])s2)n[nH]1 ZINC000602632374 860184919 /nfs/dbraw/zinc/18/49/19/860184919.db2.gz SRQFDJQMWMZOIG-JGVFFNPUSA-N 0 1 388.291 3.901 20 5 GHBDMN COc1ccccc1[C@@H](CNc1ncc([N+](=O)[O-])cc1Cl)N1CCCC1 ZINC000301294037 860444411 /nfs/dbraw/zinc/44/44/11/860444411.db2.gz WIILSZIJHKMUCW-MRXNPFEDSA-N 0 1 376.844 3.901 20 5 GHBDMN COc1ccc([C@H]2CC[N@H+]([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)cc1 ZINC000155240095 860449404 /nfs/dbraw/zinc/44/94/04/860449404.db2.gz MBGAXEWOYCFXKP-WBVHZDCISA-N 0 1 383.448 3.728 20 5 GHBDMN COc1ccc([C@H]2CCN([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)cc1 ZINC000155240095 860449408 /nfs/dbraw/zinc/44/94/08/860449408.db2.gz MBGAXEWOYCFXKP-WBVHZDCISA-N 0 1 383.448 3.728 20 5 GHBDMN C[C@H](c1ccncc1)N1CCC(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000155304061 860474786 /nfs/dbraw/zinc/47/47/86/860474786.db2.gz ZMHVXYKIACVKJA-CYBMUJFWSA-N 0 1 388.855 3.599 20 5 GHBDMN Cc1cc(C)c(CCNC(=O)CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(C)c1 ZINC001168553577 860514574 /nfs/dbraw/zinc/51/45/74/860514574.db2.gz ULHKBOKHOIXULC-GOSISDBHSA-N 0 1 383.492 3.838 20 5 GHBDMN COc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)c(Cl)c1Cl ZINC000552598780 860543378 /nfs/dbraw/zinc/54/33/78/860543378.db2.gz LDTWYBAIGHZUPI-UHFFFAOYSA-N 0 1 377.205 3.711 20 5 GHBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@H](Oc3ccccc3Cl)C2)c1 ZINC000593739861 861124109 /nfs/dbraw/zinc/12/41/09/861124109.db2.gz LKJXIILPPSJIJB-AWEZNQCLSA-N 0 1 376.796 3.600 20 5 GHBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@H](Oc3ccccc3Cl)C2)c1 ZINC000593739861 861124123 /nfs/dbraw/zinc/12/41/23/861124123.db2.gz LKJXIILPPSJIJB-AWEZNQCLSA-N 0 1 376.796 3.600 20 5 GHBDMN CC[C@@H](Cc1ccc(C)cc1)N(C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000444234467 863716836 /nfs/dbraw/zinc/71/68/36/863716836.db2.gz DMPXRDPNCNNZMG-INIZCTEOSA-N 0 1 399.447 3.524 20 5 GHBDMN CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000557076548 881766391 /nfs/dbraw/zinc/76/63/91/881766391.db2.gz ITQZRTIJXZGMDG-UHFFFAOYSA-N 0 1 384.823 3.953 20 5 GHBDMN O=[N+]([O-])c1cc(CN[C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)ccc1Cl ZINC000734843825 864472972 /nfs/dbraw/zinc/47/29/72/864472972.db2.gz QLFPDMJBRPGHJN-GOEBONIOSA-N 0 1 388.773 3.872 20 5 GHBDMN Cc1c(CNCc2cnc3ccc(Br)cn23)cccc1[N+](=O)[O-] ZINC000480438197 864640779 /nfs/dbraw/zinc/64/07/79/864640779.db2.gz AIYCDNDMUFJTMU-UHFFFAOYSA-N 0 1 375.226 3.603 20 5 GHBDMN C[C@@]12CCCN1C[C@@H](c1noc(-c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)n1)OC2 ZINC000520458240 881794105 /nfs/dbraw/zinc/79/41/05/881794105.db2.gz NKSDMZDCQPCZBK-BBRMVZONSA-N 0 1 398.341 3.589 20 5 GHBDMN O=[N+]([O-])c1ccc([C@@H](O)CN2CC(Cc3cccc(C(F)(F)F)c3)C2)cc1 ZINC000793000691 881867827 /nfs/dbraw/zinc/86/78/27/881867827.db2.gz ZYDPQPXNEBVPFR-SFHVURJKSA-N 0 1 380.366 3.822 20 5 GHBDMN Cc1cc(C(=O)Nc2ccc3nc(-c4ccccn4)[nH]c3c2)c(N)c([N+](=O)[O-])c1 ZINC000738537866 865552088 /nfs/dbraw/zinc/55/20/88/865552088.db2.gz AJAPFAXHEPJMGO-UHFFFAOYSA-N 0 1 388.387 3.676 20 5 GHBDMN Cc1ccc(C)c(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)c1 ZINC000174286477 865673918 /nfs/dbraw/zinc/67/39/18/865673918.db2.gz SYFLTSCPJYVEBK-UHFFFAOYSA-N 0 1 385.239 3.775 20 5 GHBDMN CC(C)(C)c1nc2ccc(NC(=O)c3cc([N+](=O)[O-])cc4c3OCCO4)cc2[nH]1 ZINC000608956894 865855823 /nfs/dbraw/zinc/85/58/23/865855823.db2.gz UBEHGROTPHJQEY-UHFFFAOYSA-N 0 1 396.403 3.792 20 5 GHBDMN CN(Cc1nc2ccc(Br)cc2[nH]1)Cc1ccccc1[N+](=O)[O-] ZINC000186494823 866010158 /nfs/dbraw/zinc/01/01/58/866010158.db2.gz GSSIRPKTUQPKHF-UHFFFAOYSA-N 0 1 375.226 3.866 20 5 GHBDMN O=C(NCc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC001126600737 866048549 /nfs/dbraw/zinc/04/85/49/866048549.db2.gz RLVIEZCLBHRKNN-HZPDHXFCSA-N 0 1 380.322 3.779 20 5 GHBDMN CN(c1ccccc1)c1ccc(CNC[C@](C)(O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000534084886 866078172 /nfs/dbraw/zinc/07/81/72/866078172.db2.gz YEZHXWBMOQCKLF-KRWDZBQOSA-N 0 1 383.370 3.766 20 5 GHBDMN C[C@H]1C[C@H](C(F)(F)F)CCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000456130451 866162817 /nfs/dbraw/zinc/16/28/17/866162817.db2.gz PZWUFUNKORULJY-CMPLNLGQSA-N 0 1 382.342 3.788 20 5 GHBDMN C[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1-n1cccn1 ZINC000183135149 866268039 /nfs/dbraw/zinc/26/80/39/866268039.db2.gz JTRDXAMPFMUXEB-ZDUSSCGKSA-N 0 1 399.838 3.723 20 5 GHBDMN COC(=O)COc1ccc(CN(Cc2ccc(F)cc2)C(C)C)cc1[N+](=O)[O-] ZINC000475564973 866301978 /nfs/dbraw/zinc/30/19/78/866301978.db2.gz ZNZRDTNGCYOBHJ-UHFFFAOYSA-N 0 1 390.411 3.696 20 5 GHBDMN COC(=O)COc1ccc(CN2CCC[C@@H]2c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000475574540 866394656 /nfs/dbraw/zinc/39/46/56/866394656.db2.gz OPTMAPXEKWUJBY-GOSISDBHSA-N 0 1 384.432 3.792 20 5 GHBDMN C[C@H]1CN(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)CC[C@H]1c1ccccc1 ZINC000742165953 867089161 /nfs/dbraw/zinc/08/91/61/867089161.db2.gz MVAWWHRKGFAXFY-OXJNMPFZSA-N 0 1 377.448 3.936 20 5 GHBDMN C[C@@H]1CN(Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)CC[C@H]1c1ccccc1 ZINC000742166440 867090815 /nfs/dbraw/zinc/09/08/15/867090815.db2.gz PSWPILHHKBSGKV-VQIMIIECSA-N 0 1 377.448 3.936 20 5 GHBDMN O=C(Nc1cc[nH+]c(N2CCc3ccccc3C2)c1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000553260602 867098484 /nfs/dbraw/zinc/09/84/84/867098484.db2.gz TYFLLIRJKAKAJE-UHFFFAOYSA-N 0 1 390.399 3.510 20 5 GHBDMN O=C(NC[C@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1)OCc1ccccc1 ZINC000793296195 882074620 /nfs/dbraw/zinc/07/46/20/882074620.db2.gz DUFGPOMAGKAORK-LJQANCHMSA-N 0 1 383.448 3.733 20 5 GHBDMN CN(C)[C@H](CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c21)c1ccc(Cl)cc1 ZINC000534981961 867896034 /nfs/dbraw/zinc/89/60/34/867896034.db2.gz DOZUDRPZGCCVGZ-QGZVFWFLSA-N 0 1 386.839 3.762 20 5 GHBDMN Cc1ccc(-c2n[nH]c(S[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000021609663 868397427 /nfs/dbraw/zinc/39/74/27/868397427.db2.gz WBJMMVXGQOGVQX-GFCCVEGCSA-N 0 1 383.433 3.808 20 5 GHBDMN O=C(Nc1nc(-c2ccc(Cl)cc2)n[nH]1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000524069408 868479857 /nfs/dbraw/zinc/47/98/57/868479857.db2.gz AYWFQBVERWEUCJ-UHFFFAOYSA-N 0 1 378.175 3.939 20 5 GHBDMN CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc3nc[nH]c3c2)CC1 ZINC000743941076 868494101 /nfs/dbraw/zinc/49/41/01/868494101.db2.gz PVZGWCDQUAMFEA-UHFFFAOYSA-N 0 1 379.420 3.960 20 5 GHBDMN O=C(Nc1ccc(-n2nccc2C(F)(F)F)cc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000554032506 868657053 /nfs/dbraw/zinc/65/70/53/868657053.db2.gz GCHIGKAIFBUHSS-UHFFFAOYSA-N 0 1 392.293 3.757 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCc1cc(F)cc(F)c1 ZINC000462435567 869454159 /nfs/dbraw/zinc/45/41/59/869454159.db2.gz GVILHDKTGARYJW-UHFFFAOYSA-N 0 1 397.186 3.658 20 5 GHBDMN Cc1nc(C(C)C)oc1CN1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000428439613 869761735 /nfs/dbraw/zinc/76/17/35/869761735.db2.gz YEPCXLWKMHIRER-UHFFFAOYSA-N 0 1 398.467 3.603 20 5 GHBDMN COc1ccc(CNCc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])c(C)c1 ZINC000539813883 869839011 /nfs/dbraw/zinc/83/90/11/869839011.db2.gz XEYPCKVDAIGGTH-UHFFFAOYSA-N 0 1 396.390 3.854 20 5 GHBDMN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)Nc1cccc(CN2CCSCC2)c1 ZINC000747136817 882370223 /nfs/dbraw/zinc/37/02/23/882370223.db2.gz KHGVTJXDQSPLHX-TWGQIWQCSA-N 0 1 383.473 3.796 20 5 GHBDMN O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)o1 ZINC000446973744 870833679 /nfs/dbraw/zinc/83/36/79/870833679.db2.gz FLEUNJDNACHHPT-SJCJKPOMSA-N 0 1 384.354 3.990 20 5 GHBDMN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCC[C@H]([C@H](O)C(F)(F)F)C2)o1 ZINC000446973744 870833685 /nfs/dbraw/zinc/83/36/85/870833685.db2.gz FLEUNJDNACHHPT-SJCJKPOMSA-N 0 1 384.354 3.990 20 5 GHBDMN Cn1c(-c2nc(-c3ccc4[nH]c(-c5cscn5)nc4c3)no2)ccc1[N+](=O)[O-] ZINC000463175681 871044848 /nfs/dbraw/zinc/04/48/48/871044848.db2.gz ZLOXHERUYXZFBP-UHFFFAOYSA-N 0 1 393.388 3.650 20 5 GHBDMN CC(C)(C)OC(=O)N1CCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)[C@H](c2ccccc2)C1 ZINC001169011630 871096111 /nfs/dbraw/zinc/09/61/11/871096111.db2.gz LSYFHEGKQNSIAQ-UHOSZYNNSA-N 0 1 389.496 3.726 20 5 GHBDMN Cc1oc2ncnc(NC(=O)c3sc(Br)cc3[N+](=O)[O-])c2c1C ZINC000447315097 871363305 /nfs/dbraw/zinc/36/33/05/871363305.db2.gz PAMAJIFKMVHAHD-UHFFFAOYSA-N 0 1 397.210 3.824 20 5 GHBDMN CCCOc1ccc(CNC(=O)CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000181824233 871526633 /nfs/dbraw/zinc/52/66/33/871526633.db2.gz OGPSLUVLCQILNE-INIZCTEOSA-N 0 1 385.464 3.659 20 5 GHBDMN O=C(CCN(Cc1ccccc1[N+](=O)[O-])C1CC1)Nc1cc(F)cc(F)c1 ZINC000441254696 871530446 /nfs/dbraw/zinc/53/04/46/871530446.db2.gz COHQCJUVYLWKDK-UHFFFAOYSA-N 0 1 375.375 3.866 20 5 GHBDMN C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001169527460 871607097 /nfs/dbraw/zinc/60/70/97/871607097.db2.gz MPJAWIFPZASCTR-KUHUBIRLSA-N 0 1 387.867 3.889 20 5 GHBDMN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000462167780 871729684 /nfs/dbraw/zinc/72/96/84/871729684.db2.gz CFFNKIPIRITNMJ-LPHOPBHVSA-N 0 1 381.476 3.770 20 5 GHBDMN CCOc1cc(CN2CCC[C@](CO)(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000463443566 871753516 /nfs/dbraw/zinc/75/35/16/871753516.db2.gz OQHXASOLKXQNCT-QFIPXVFZSA-N 0 1 384.476 3.811 20 5 GHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC2(c3ccc(Cl)cc3)CCC2)cc1 ZINC000182153508 871955669 /nfs/dbraw/zinc/95/56/69/871955669.db2.gz KNRFKIOIOABSEW-UHFFFAOYSA-N 0 1 394.880 3.691 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1CN1CC[C@H](C)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001194899405 872019301 /nfs/dbraw/zinc/01/93/01/872019301.db2.gz RIZRFUDDSVSXSV-HOCLYGCPSA-N 0 1 393.484 3.586 20 5 GHBDMN C[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)c(Cl)c1 ZINC000182406065 872307909 /nfs/dbraw/zinc/30/79/09/872307909.db2.gz BLDHOCPIQDRKJB-NSHDSACASA-N 0 1 386.832 3.512 20 5 GHBDMN O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000540850266 872316269 /nfs/dbraw/zinc/31/62/69/872316269.db2.gz DANLJZWZIAGDEC-CQSZACIVSA-N 0 1 395.394 3.539 20 5 GHBDMN C[C@H]1OCC[C@@]1(O)CN(Cc1ccccc1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000447909201 872512403 /nfs/dbraw/zinc/51/24/03/872512403.db2.gz WAGXTERWHJWHLK-FOIQADDNSA-N 0 1 390.867 3.790 20 5 GHBDMN C[C@H]1OCC[C@]1(O)CN(Cc1ccccc1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000447909203 872512529 /nfs/dbraw/zinc/51/25/29/872512529.db2.gz WAGXTERWHJWHLK-QRWLVFNGSA-N 0 1 390.867 3.790 20 5 GHBDMN O=C(Nc1cccc(-c2nnc[nH]2)c1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463824809 872679296 /nfs/dbraw/zinc/67/92/96/872679296.db2.gz GWSWSJDWOOWASI-UHFFFAOYSA-N 0 1 377.282 3.651 20 5 GHBDMN Cc1c(C(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)n[nH]2)cccc1[N+](=O)[O-] ZINC000448101388 872848451 /nfs/dbraw/zinc/84/84/51/872848451.db2.gz NSZZCGVMLHIIFA-UHFFFAOYSA-N 0 1 391.309 3.959 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(F)cc1C(F)(F)F ZINC000152973912 873040075 /nfs/dbraw/zinc/04/00/75/873040075.db2.gz OQLXBNQZHHABBE-UHFFFAOYSA-N 0 1 378.303 3.862 20 5 GHBDMN Cc1cccc(CN(Cc2ccco2)C[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000541281316 873304820 /nfs/dbraw/zinc/30/48/20/873304820.db2.gz GNAKVYKZPDVVOQ-LJQANCHMSA-N 0 1 396.443 3.938 20 5 GHBDMN CC(C)(C)[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 ZINC000541326724 873375930 /nfs/dbraw/zinc/37/59/30/873375930.db2.gz RIYFQRNMJGLUOG-GOSISDBHSA-N 0 1 394.468 3.885 20 5 GHBDMN CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CCCN2Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC001197169051 873636669 /nfs/dbraw/zinc/63/66/69/873636669.db2.gz VAUFRBYUMUWGGA-RHSMWYFYSA-N 0 1 393.459 3.955 20 5 GHBDMN CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000448718417 873850069 /nfs/dbraw/zinc/85/00/69/873850069.db2.gz XGCCUJPAFUVUQD-UHFFFAOYSA-N 0 1 397.475 3.714 20 5 GHBDMN Cc1cccnc1[C@@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C(C)(C)C ZINC001198509035 874471557 /nfs/dbraw/zinc/47/15/57/874471557.db2.gz ZNORGXGLBOGMKQ-HXUWFJFHSA-N 0 1 382.464 3.564 20 5 GHBDMN CCOC(=O)[C@@H]1CCCC[C@@H]1NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000449514369 874981836 /nfs/dbraw/zinc/98/18/36/874981836.db2.gz WAXDFIOMLRGNDL-SJORKVTESA-N 0 1 389.477 3.930 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2nc(CNC[C@H](O)CCc3ccccc3)cs2)c1 ZINC000542313086 875352409 /nfs/dbraw/zinc/35/24/09/875352409.db2.gz MVGMIWWLAWLEIX-LJQANCHMSA-N 0 1 383.473 3.802 20 5 GHBDMN CN1CC[C@@H](NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000450280397 876212808 /nfs/dbraw/zinc/21/28/08/876212808.db2.gz YFRGAEZHBOWBOF-NVXWUHKLSA-N 0 1 393.365 3.789 20 5 GHBDMN CCOc1cc(CN2CCC[C@@H](C(=O)Nc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000492358437 876705116 /nfs/dbraw/zinc/70/51/16/876705116.db2.gz RUVIMARNAJJLAH-QGZVFWFLSA-N 0 1 383.448 3.844 20 5 GHBDMN COc1cc(CNc2ccc(C(=O)NC3CCCC3)cc2C)cc([N+](=O)[O-])c1O ZINC000551451323 877228191 /nfs/dbraw/zinc/22/81/91/877228191.db2.gz IAQNNBXYYHYCEF-UHFFFAOYSA-N 0 1 399.447 3.902 20 5 GHBDMN CCc1nc([C@H](C)NC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)n[nH]1 ZINC000477293978 877383769 /nfs/dbraw/zinc/38/37/69/877383769.db2.gz KJEHRXYOMPEEQP-LBPRGKRZSA-N 0 1 397.460 3.918 20 5 GHBDMN CN1CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@H]1Cc1ccccc1 ZINC001170073469 877422112 /nfs/dbraw/zinc/42/21/12/877422112.db2.gz GGBFWDVYRUWJJV-GOSISDBHSA-N 0 1 393.409 3.972 20 5 GHBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@@](C)(COC)C2)cc1OC ZINC000451203001 877570031 /nfs/dbraw/zinc/57/00/31/877570031.db2.gz OSGYJIIKYAUUQI-MGPUTAFESA-N 0 1 380.485 3.887 20 5 GHBDMN Cc1ccccc1[C@H]([C@H](C)NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)N(C)C ZINC000451267099 877681486 /nfs/dbraw/zinc/68/14/86/877681486.db2.gz NNSONUZJRONSMJ-AOMKIAJQSA-N 0 1 397.475 3.674 20 5 GHBDMN Cc1c(C(=O)N[C@H]2CCc3nc(C4CCCCC4)[nH]c3C2)cccc1[N+](=O)[O-] ZINC000788238997 877935632 /nfs/dbraw/zinc/93/56/32/877935632.db2.gz APBMWGDQWHLWDW-HNNXBMFYSA-N 0 1 382.464 3.961 20 5 GHBDMN O=C(CCc1cccc([N+](=O)[O-])c1)N[C@H]1CCc2nc(C3CCCCC3)[nH]c2C1 ZINC000788243645 877943621 /nfs/dbraw/zinc/94/36/21/877943621.db2.gz LYFCBCCFNUYMFZ-KRWDZBQOSA-N 0 1 396.491 3.972 20 5 GHBDMN O=C(Cc1ccccc1[N+](=O)[O-])N[C@H]1CCc2nc(C3CCCCC3)[nH]c2C1 ZINC000788248242 877953329 /nfs/dbraw/zinc/95/33/29/877953329.db2.gz PGHIEJYIBKPXCT-INIZCTEOSA-N 0 1 382.464 3.582 20 5 GHBDMN COc1ccc(-c2n[nH]c(CNc3ccc([N+](=O)[O-])c(OC(F)F)c3)n2)cc1 ZINC000537830209 878395474 /nfs/dbraw/zinc/39/54/74/878395474.db2.gz PBRFQPVTAJFYGN-UHFFFAOYSA-N 0 1 391.334 3.602 20 5 GHBDMN COc1ccc(-c2nc(CNc3ccc([N+](=O)[O-])c(OC(F)F)c3)n[nH]2)cc1 ZINC000537830209 878395486 /nfs/dbraw/zinc/39/54/86/878395486.db2.gz PBRFQPVTAJFYGN-UHFFFAOYSA-N 0 1 391.334 3.602 20 5 GHBDMN C[C@@H](N[C@H](C)c1ccccc1OC(F)F)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000538145848 878896106 /nfs/dbraw/zinc/89/61/06/878896106.db2.gz QTIVVDSOVZMNBG-VXGBXAGGSA-N 0 1 379.363 3.874 20 5 GHBDMN O=[N+]([O-])c1cn(CN2CC[C@@H](Cc3ccc(F)cc3)C2)nc1-c1ccccn1 ZINC000853497405 879064092 /nfs/dbraw/zinc/06/40/92/879064092.db2.gz YHBQIDJRSOLABO-INIZCTEOSA-N 0 1 381.411 3.515 20 5 GHBDMN O=C(NCCc1nc(C2CCCCC2)cs1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000531120431 879208785 /nfs/dbraw/zinc/20/87/85/879208785.db2.gz SNSOGVRKUHZEMB-UHFFFAOYSA-N 0 1 399.476 3.948 20 5 GHBDMN CCOc1c(OC)cc(CNCc2ccc([N+](=O)[O-])c(Cl)c2)cc1OC ZINC000761521622 879228488 /nfs/dbraw/zinc/22/84/88/879228488.db2.gz JDTVNCRWUGHXRN-UHFFFAOYSA-N 0 1 380.828 3.954 20 5 GHBDMN CCC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(OC)c2)CCN1Cc1ccccc1 ZINC000538330916 879282463 /nfs/dbraw/zinc/28/24/63/879282463.db2.gz CYYCPBJMOBCKKW-IBGZPJMESA-N 0 1 397.475 3.730 20 5 GHBDMN Cc1ccc(C(=O)N2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)cc1[N+](=O)[O-] ZINC000152784051 879688228 /nfs/dbraw/zinc/68/82/28/879688228.db2.gz SEMLYDGQCUCADE-INIZCTEOSA-N 0 1 377.404 3.666 20 5 GHBDMN Cc1ccc(C(=O)N2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)cc1[N+](=O)[O-] ZINC000152784051 879688235 /nfs/dbraw/zinc/68/82/35/879688235.db2.gz SEMLYDGQCUCADE-INIZCTEOSA-N 0 1 377.404 3.666 20 5 GHBDMN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000031565840 879702281 /nfs/dbraw/zinc/70/22/81/879702281.db2.gz BFRZERIAQAAZOB-AEFFLSMTSA-N 0 1 399.516 3.856 20 5 GHBDMN Cc1c(CN[C@H]2CCN(c3ccccc3C(F)(F)F)C2=O)cccc1[N+](=O)[O-] ZINC000790544391 879838700 /nfs/dbraw/zinc/83/87/00/879838700.db2.gz XCFBNTCRUDJERX-HNNXBMFYSA-N 0 1 393.365 3.817 20 5 GHBDMN CC(C)CCSc1ccc(C(=O)N[C@H]2CCN(C3CC3)C2)cc1[N+](=O)[O-] ZINC000520184730 880075895 /nfs/dbraw/zinc/07/58/95/880075895.db2.gz PWEYOQRTUFAXSR-HNNXBMFYSA-N 0 1 377.510 3.700 20 5 GHBDMN CC(C)(C)OC(=O)NC1(c2noc(-c3cc(O)cc([N+](=O)[O-])c3)n2)CCCC1 ZINC000776772685 880206685 /nfs/dbraw/zinc/20/66/85/880206685.db2.gz OQEOUWJURRLTGL-UHFFFAOYSA-N 0 1 390.396 3.644 20 5 GHBDMN Cc1cc(Br)ccc1NC(=O)CCNCc1csc([N+](=O)[O-])c1 ZINC000237564808 880307547 /nfs/dbraw/zinc/30/75/47/880307547.db2.gz RBHMVRDWUHFPGP-UHFFFAOYSA-N 0 1 398.282 3.846 20 5 GHBDMN C[C@@H]1CN(Cc2ccc(-c3nc(-c4ccc([N+](=O)[O-])o4)no3)cc2)C[C@H](C)O1 ZINC000453239322 880668750 /nfs/dbraw/zinc/66/87/50/880668750.db2.gz BDQJXGJPOIJUET-BETUJISGSA-N 0 1 384.392 3.514 20 5 GHBDMN COc1ccc(CN(Cn2c3cc([N+](=O)[O-])ccc3oc2=O)[C@H](C)C2CC2)cc1 ZINC000919945903 881228864 /nfs/dbraw/zinc/22/88/64/881228864.db2.gz QZQSJGYZIYEXOG-CQSZACIVSA-N 0 1 397.431 3.770 20 5 GHBDMN O=C(Nc1c2ccccc2oc1C(=O)c1ccco1)c1ccc([N+](=O)[O-])cn1 ZINC000532145018 881235098 /nfs/dbraw/zinc/23/50/98/881235098.db2.gz PBXVNWFWPPJCEF-UHFFFAOYSA-N 0 1 377.312 3.812 20 5 GHBDMN Cc1[nH]nc(C(=O)N2CCC(C(=O)c3ccc(CC(C)C)cc3)CC2)c1[N+](=O)[O-] ZINC000064354927 883163326 /nfs/dbraw/zinc/16/33/26/883163326.db2.gz OJFWESQSEDPCDC-UHFFFAOYSA-N 0 1 398.463 3.560 20 5 GHBDMN CSc1ccc(C(=O)N2CCN(C3CCC(C)CC3)CC2)cc1[N+](=O)[O-] ZINC000609652769 883521716 /nfs/dbraw/zinc/52/17/16/883521716.db2.gz FZMSDAUKPXMOSD-UHFFFAOYSA-N 0 1 377.510 3.653 20 5 GHBDMN O=C(NC1CCN(Cc2cccnc2)CC1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000859396328 883793653 /nfs/dbraw/zinc/79/36/53/883793653.db2.gz BXTHKJSNJKOUHZ-UHFFFAOYSA-N 0 1 390.443 3.537 20 5 GHBDMN CCO[C@@H]1C[C@H](N[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)[C@@H]1n1cccn1 ZINC000556262954 884275922 /nfs/dbraw/zinc/27/59/22/884275922.db2.gz CPTVNXFQRJKIJV-LRSLUSHPSA-N 0 1 392.459 3.889 20 5 GHBDMN COc1cccc(-c2nc(C)c(C(=O)OCc3ccc([N+](=O)[O-])c(F)c3)[nH]2)c1 ZINC000784507829 884570306 /nfs/dbraw/zinc/57/03/06/884570306.db2.gz IVUMAZBJRJBWPX-UHFFFAOYSA-N 0 1 385.351 3.798 20 5 GHBDMN CCN(C(=O)c1n[nH]c(C)c1[N+](=O)[O-])[C@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC000498558929 884831416 /nfs/dbraw/zinc/83/14/16/884831416.db2.gz GWBDTRXVBXUQHX-IBGZPJMESA-N 0 1 397.410 3.721 20 5 GHBDMN CCOc1ccc([C@@H](C)NCc2ccc(OC)c(NC(C)=O)c2)cc1[N+](=O)[O-] ZINC000153431680 885321406 /nfs/dbraw/zinc/32/14/06/885321406.db2.gz YTAGMLLHTQYOLF-CYBMUJFWSA-N 0 1 387.436 3.811 20 5 GHBDMN C[C@H]1CCN(C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000498719876 885475078 /nfs/dbraw/zinc/47/50/78/885475078.db2.gz GHJGEANLUVAGFR-HNNXBMFYSA-N 0 1 385.489 3.912 20 5 GHBDMN C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000532579533 886164293 /nfs/dbraw/zinc/16/42/93/886164293.db2.gz OZQNWAFSYXLEAA-RHSMWYFYSA-N 0 1 383.423 3.501 20 5 GHBDMN O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000499042707 886470790 /nfs/dbraw/zinc/47/07/90/886470790.db2.gz FMFJXIJSSGZSBX-UHFFFAOYSA-N 0 1 392.350 3.766 20 5 GHBDMN CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1cc([O-])ccc1[N+](=O)[O-])C2 ZINC000809771065 887760493 /nfs/dbraw/zinc/76/04/93/887760493.db2.gz JMJVPTZVLJYNDI-FQEVSTJZSA-N 0 1 391.468 3.523 20 5 GHBDMN CCN1CCN(c2cc(N(C)C(=O)c3cc(C)ccc3C)cc([N+](=O)[O-])c2)CC1 ZINC001132279846 888531050 /nfs/dbraw/zinc/53/10/50/888531050.db2.gz UHUHXERHJKOZQL-UHFFFAOYSA-N 0 1 396.491 3.630 20 5 GHBDMN Cc1ccc2nc(CNC(=O)N3CCC[C@H](c4ccc([N+](=O)[O-])cc4)C3)[nH]c2c1 ZINC000454613419 889426084 /nfs/dbraw/zinc/42/60/84/889426084.db2.gz XOWSNLMPFWFVCC-INIZCTEOSA-N 0 1 393.447 3.869 20 5 GHBDMN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNCCOc1ccc2c(c1)OCO2 ZINC000811475364 889661230 /nfs/dbraw/zinc/66/12/30/889661230.db2.gz KFIHAZDQWOQFPA-UHFFFAOYSA-N 0 1 385.203 3.799 20 5 GHBDMN O=[N+]([O-])c1ccccc1N1CCN(C[C@@H](O)c2ccc3ccccc3c2)CC1 ZINC000916968881 890694590 /nfs/dbraw/zinc/69/45/90/890694590.db2.gz NXFMRPRMAFHRDV-JOCHJYFZSA-N 0 1 377.444 3.604 20 5 GHBDMN CC[C@@H](C)N1CCN(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)CC1 ZINC000455354878 890812607 /nfs/dbraw/zinc/81/26/07/890812607.db2.gz MUVUZXZTYLXUPN-LLVKDONJSA-N 0 1 399.289 3.614 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(OC2CCCC2)cc1 ZINC000917713676 892445446 /nfs/dbraw/zinc/44/54/46/892445446.db2.gz NNXDEYZWUCMPBL-UHFFFAOYSA-N 0 1 392.433 3.726 20 5 GHBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@H](Nc2ccccc2)C1 ZINC000170688984 892447013 /nfs/dbraw/zinc/44/70/13/892447013.db2.gz YXOSYHQYQCSBLT-YOEHRIQHSA-N 0 1 379.420 3.892 20 5 GHBDMN C[C@H](NCc1cccc(NC(=O)c2ccncc2)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815562440 894001081 /nfs/dbraw/zinc/00/10/81/894001081.db2.gz FMTRYZCJVARFGK-AWEZNQCLSA-N 0 1 391.431 3.675 20 5 GHBDMN Cc1ccc([C@@H](C)N[C@@H]2CCN(CCCc3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000536910574 894091456 /nfs/dbraw/zinc/09/14/56/894091456.db2.gz PIXYSRPVCHAQIG-YLJYHZDGSA-N 0 1 381.476 3.788 20 5 GHBDMN CC[C@@H]1OCC[C@H]1N[C@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000459784763 894185518 /nfs/dbraw/zinc/18/55/18/894185518.db2.gz YAAHGIRPEKBBCH-HOJAQTOUSA-N 0 1 383.448 3.740 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(C[N@H+]2CC[C@H](Cc3ccncc3)C2)o1 ZINC000878399563 894260200 /nfs/dbraw/zinc/26/02/00/894260200.db2.gz VOZNGEVFZMFGJK-CQSZACIVSA-N 0 1 399.838 3.758 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(CN2CC[C@H](Cc3ccncc3)C2)o1 ZINC000878399563 894260213 /nfs/dbraw/zinc/26/02/13/894260213.db2.gz VOZNGEVFZMFGJK-CQSZACIVSA-N 0 1 399.838 3.758 20 5 GHBDMN COC(=O)COc1ccc(CNCc2ccc3sccc3c2)cc1[N+](=O)[O-] ZINC000564407815 894948367 /nfs/dbraw/zinc/94/83/67/894948367.db2.gz RWCQTPWGBWSOST-UHFFFAOYSA-N 0 1 386.429 3.651 20 5 GHBDMN CN(CCc1cccc([N+](=O)[O-])c1)Cc1nc2ccc(Br)cc2[nH]1 ZINC000565122401 895402645 /nfs/dbraw/zinc/40/26/45/895402645.db2.gz NWTSNBNFYOIFJK-UHFFFAOYSA-N 0 1 389.253 3.908 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C)c1ccc(C(F)(F)F)nc1 ZINC000880102303 895514767 /nfs/dbraw/zinc/51/47/67/895514767.db2.gz WUNZIZWAZFUQIN-NSHDSACASA-N 0 1 382.342 3.606 20 5 GHBDMN Cc1ccc(CN2CC[C@@H](C)[C@@H](CNC(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC001170880047 895927241 /nfs/dbraw/zinc/92/72/41/895927241.db2.gz AYVLQYCIPGNVSW-PBHICJAKSA-N 0 1 377.485 3.886 20 5 GHBDMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)c1cccc([N+](=O)[O-])c1Br ZINC000774915084 914031741 /nfs/dbraw/zinc/03/17/41/914031741.db2.gz UBZFZLOKIVLYLX-UHFFFAOYSA-N 0 1 395.257 3.650 20 5 GHBDMN O=C([O-])c1ccc([N+](=O)[O-])c(N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1 ZINC000567976700 897518927 /nfs/dbraw/zinc/51/89/27/897518927.db2.gz SMCDPQLWONIULI-JOCHJYFZSA-N 0 1 395.459 3.786 20 5 GHBDMN O=[N+]([O-])c1ccc(OCCNCc2c(Cl)nc3cc(Cl)ccn32)cc1 ZINC000796295815 914204007 /nfs/dbraw/zinc/20/40/07/914204007.db2.gz BDZNMLWXYAEUMV-UHFFFAOYSA-N 0 1 381.219 3.718 20 5 GHBDMN O=c1ccc([N+](=O)[O-])cn1CCN[C@@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000568683057 898032276 /nfs/dbraw/zinc/03/22/76/898032276.db2.gz IIULBVXKMICCCT-QGZVFWFLSA-N 0 1 382.247 3.804 20 5 GHBDMN O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000289597027 914256811 /nfs/dbraw/zinc/25/68/11/914256811.db2.gz ILCGTTMMGRJHQD-NSHDSACASA-N 0 1 390.831 3.655 20 5 GHBDMN Cc1cccc2nc(CNC(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)[nH]c21 ZINC000155243395 898491941 /nfs/dbraw/zinc/49/19/41/898491941.db2.gz HNIMUGWLNKQQNC-UHFFFAOYSA-N 0 1 378.310 3.728 20 5 GHBDMN CC(C)(C)OC(=O)CC[C@H]1CCCC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000823244899 898937562 /nfs/dbraw/zinc/93/75/62/898937562.db2.gz ZVABWFYJCIZXNY-SJLPKXTDSA-N 0 1 378.469 3.605 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N2C[C@@H](c3ccccc3Cl)OC[C@H]2C)c1[N+](=O)[O-] ZINC000331543397 898969332 /nfs/dbraw/zinc/96/93/32/898969332.db2.gz HIVDNZFKFZMZDC-RISCZKNCSA-N 0 1 392.843 3.697 20 5 GHBDMN CCC[C@@H](C)NC(=O)[C@@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000303190285 914390843 /nfs/dbraw/zinc/39/08/43/914390843.db2.gz FKGIKXROHCDCTK-IAGOWNOFSA-N 0 1 391.512 3.899 20 5 GHBDMN CCc1[nH]nc(C(=O)N2CC[C@@H](Sc3cccc(Cl)c3)C2)c1[N+](=O)[O-] ZINC000571591193 899920652 /nfs/dbraw/zinc/92/06/52/899920652.db2.gz PLNJNJUMGRSZQD-GFCCVEGCSA-N 0 1 380.857 3.541 20 5 GHBDMN CC(C)(C)O[C@@H]1C[C@@H](NCc2ccc([N+](=O)[O-])c(Cl)c2)[C@@H]1n1cccn1 ZINC000825118869 899990112 /nfs/dbraw/zinc/99/01/12/899990112.db2.gz YMDPCNRVKJYWIP-OIISXLGYSA-N 0 1 378.860 3.732 20 5 GHBDMN C[C@H](c1ccncc1)N1CCC(Nc2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC000573717469 900605617 /nfs/dbraw/zinc/60/56/17/900605617.db2.gz LBVJVZOIJZXZAC-OAHLLOKOSA-N 0 1 381.480 3.901 20 5 GHBDMN O=[N+]([O-])c1ncccc1CNC1(c2cccc(OC(F)(F)F)c2)CCOCC1 ZINC000886175341 900861386 /nfs/dbraw/zinc/86/13/86/900861386.db2.gz XJPYEUPSNWKWAG-UHFFFAOYSA-N 0 1 397.353 3.684 20 5 GHBDMN CCCCCCNC(=O)[C@H]1CCCN(Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000778942885 902044353 /nfs/dbraw/zinc/04/43/53/902044353.db2.gz SUJWQMZATLRDON-KRWDZBQOSA-N 0 1 377.485 3.512 20 5 GHBDMN CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccc(C)o2)N2CCCC2)c1 ZINC000263799184 902543578 /nfs/dbraw/zinc/54/35/78/902543578.db2.gz LPTRFOBCTACJNV-KRWDZBQOSA-N 0 1 389.477 3.785 20 5 GHBDMN Cc1ccc(-c2[nH][nH]c(=NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)c2C)o1 ZINC000578601452 904000606 /nfs/dbraw/zinc/00/06/06/904000606.db2.gz BCORKRODDGBDLG-UHFFFAOYSA-N 0 1 386.383 3.672 20 5 GHBDMN Cc1cc(NC(=O)NC2CCN([C@H](C)c3ccncc3)CC2)ccc1[N+](=O)[O-] ZINC000153740838 904393294 /nfs/dbraw/zinc/39/32/94/904393294.db2.gz BQKSUZWNMOVFBA-OAHLLOKOSA-N 0 1 383.452 3.645 20 5 GHBDMN C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000801599720 921178129 /nfs/dbraw/zinc/17/81/29/921178129.db2.gz ANDVBPLQBYLHHT-QGZVFWFLSA-N 0 1 396.491 3.697 20 5 GHBDMN C[C@@H]1CN(C(=O)c2ccccc2)CCN1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172913874 905984595 /nfs/dbraw/zinc/98/45/95/905984595.db2.gz VDQKHCHYUQMIPQ-DYESRHJHSA-N 0 1 393.487 3.689 20 5 GHBDMN O=C(C1CCCCC1)N1CCN([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172921377 905993269 /nfs/dbraw/zinc/99/32/69/905993269.db2.gz PLLHGRUCYZFNDT-HXUWFJFHSA-N 0 1 385.508 3.567 20 5 GHBDMN O=[N+]([O-])c1cc(F)c(N2CCC(N3CCCC(F)(F)[C@@H](F)C3)CC2)c(F)c1 ZINC001173009677 906084489 /nfs/dbraw/zinc/08/44/89/906084489.db2.gz HBDVDICDPAZBDA-HNNXBMFYSA-N 0 1 393.356 3.911 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CC[C@H](Oc3ccc(F)cc3)C2)c1F ZINC001173187592 906268104 /nfs/dbraw/zinc/26/81/04/906268104.db2.gz ANZHTEHGDQOHRK-CJNGLKHVSA-N 0 1 392.402 3.966 20 5 GHBDMN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCCC12CN(C(=O)OC(C)(C)C)C2 ZINC001173223160 906304118 /nfs/dbraw/zinc/30/41/18/906304118.db2.gz YVBBLTRNBSKRTM-OAHLLOKOSA-N 0 1 375.469 3.611 20 5 GHBDMN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCc2ncc(Br)cc2C1 ZINC001173227307 906311386 /nfs/dbraw/zinc/31/13/86/906311386.db2.gz POAFSVZGCFSIQG-GFCCVEGCSA-N 0 1 376.254 3.742 20 5 GHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCCCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000773370119 906338067 /nfs/dbraw/zinc/33/80/67/906338067.db2.gz YRRYWOVFUKTZMH-FXAWDEMLSA-N 0 1 384.432 3.809 20 5 GHBDMN C[C@H]1CN(Cc2ccccc2)C[C@]2(CCN(Cc3c(F)cccc3[N+](=O)[O-])C2)O1 ZINC001175678434 907688639 /nfs/dbraw/zinc/68/86/39/907688639.db2.gz QIUYPWBQWVDDCR-HTAPYJJXSA-N 0 1 399.466 3.599 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2nc(CN3CCC[C@@]3(CO)c3ccccc3)co2)cc1 ZINC001176959721 908328833 /nfs/dbraw/zinc/32/88/33/908328833.db2.gz OLOQQPZQPTYJIK-OAQYLSRUSA-N 0 1 379.416 3.733 20 5 GHBDMN COc1ccc(CN[C@](C)(CO)c2cccc([N+](=O)[O-])c2)cc1OCC(C)C ZINC001179353090 909479700 /nfs/dbraw/zinc/47/97/00/909479700.db2.gz NCXILMUHCSWQIV-OAQYLSRUSA-N 0 1 388.464 3.636 20 5 GHBDMN Cc1ccc2nc([C@H]3CCCN(C(=O)c4[nH]nc(C(C)C)c4[N+](=O)[O-])C3)[nH]c2c1 ZINC000269548243 910301436 /nfs/dbraw/zinc/30/14/36/910301436.db2.gz XFDJVZXYLSNUGQ-ZDUSSCGKSA-N 0 1 396.451 3.646 20 5 GHBDMN Cc1ccc2[nH]c([C@H]3CCCN(C(=O)c4n[nH]c(C(C)C)c4[N+](=O)[O-])C3)nc2c1 ZINC000269548243 910301453 /nfs/dbraw/zinc/30/14/53/910301453.db2.gz XFDJVZXYLSNUGQ-ZDUSSCGKSA-N 0 1 396.451 3.646 20 5 GHBDMN Cc1ccc2nc([C@H]3CCCN(C(=O)c4n[nH]c(C(C)C)c4[N+](=O)[O-])C3)[nH]c2c1 ZINC000269548243 910301467 /nfs/dbraw/zinc/30/14/67/910301467.db2.gz XFDJVZXYLSNUGQ-ZDUSSCGKSA-N 0 1 396.451 3.646 20 5 GHBDMN O=C(CN1CCCCCC1)Nc1cccc(NC(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000299707633 921606750 /nfs/dbraw/zinc/60/67/50/921606750.db2.gz YGSPYRQDCGLKQQ-UHFFFAOYSA-N 0 1 396.447 3.662 20 5 GHBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)[C@H]1CCSc2ccccc21 ZINC001182600083 911915417 /nfs/dbraw/zinc/91/54/17/911915417.db2.gz JTZZJHFBDKDZEM-AWEZNQCLSA-N 0 1 381.417 3.598 20 5 GHBDMN CC[C@@H](N[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1ccccc1OC ZINC000775078946 914986589 /nfs/dbraw/zinc/98/65/89/914986589.db2.gz ZFWIXGLLDIDPNI-CZUORRHYSA-N 0 1 387.436 3.680 20 5 GHBDMN O=C(CSc1nc(-c2ccccc2F)n[nH]1)c1ccc([N+](=O)[O-])cc1F ZINC001188037911 915695745 /nfs/dbraw/zinc/69/57/45/915695745.db2.gz KNHBDVNHUJLVQZ-UHFFFAOYSA-N 0 1 376.344 3.633 20 5 GHBDMN Cc1ccc(-c2n[nH]c(SCc3cc([N+](=O)[O-])cc4c3OCOC4)n2)cc1 ZINC000005866059 915997714 /nfs/dbraw/zinc/99/77/14/915997714.db2.gz GUTRBWCLMVGZNP-UHFFFAOYSA-N 0 1 384.417 3.847 20 5 GHBDMN COc1ccc(-c2n[nH]c(S[C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])n2)cc1 ZINC000006141811 916485724 /nfs/dbraw/zinc/48/57/24/916485724.db2.gz IYAHOASQMGJHBC-LLVKDONJSA-N 0 1 399.432 3.508 20 5 GHBDMN C[C@H](NCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1-n1cccn1 ZINC000775400463 917434196 /nfs/dbraw/zinc/43/41/96/917434196.db2.gz JDWVCJJFOXYUPZ-ZDUSSCGKSA-N 0 1 399.838 3.723 20 5 GHBDMN CCCNC(=O)C1(NCc2ccc(Br)cc2[N+](=O)[O-])CCCCC1 ZINC001191799620 918227484 /nfs/dbraw/zinc/22/74/84/918227484.db2.gz DKUWKHMFSODCMH-UHFFFAOYSA-N 0 1 398.301 3.676 20 5 GHBDMN C[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000297405797 919297845 /nfs/dbraw/zinc/29/78/45/919297845.db2.gz SVBKQLZLTPYVNN-LSDHHAIUSA-N 0 1 389.477 3.547 20 5 GHBDMN CN(CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Cc1ccccc1Cl ZINC000117333718 919538422 /nfs/dbraw/zinc/53/84/22/919538422.db2.gz QEVBARRFLHZQCI-UHFFFAOYSA-N 0 1 375.812 3.678 20 5 GHBDMN Cc1cc(S(=O)(=O)Nc2ccc(C(F)(F)F)nc2C)cc([N+](=O)[O-])c1F ZINC000800845015 920523053 /nfs/dbraw/zinc/52/30/53/920523053.db2.gz WNZZIYVSBHJFIP-UHFFFAOYSA-N 0 1 393.318 3.565 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2nnc(CN3CCCC[C@@H]3[C@H](O)c3ccccc3)o2)cc1 ZINC000369827943 923651374 /nfs/dbraw/zinc/65/13/74/923651374.db2.gz BHQJRMCAGHDUCD-UYAOXDASSA-N 0 1 394.431 3.733 20 5 GHBDMN Cc1ccc2ncccc2c1S(=O)(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000748639543 923768645 /nfs/dbraw/zinc/76/86/45/923768645.db2.gz IVWLNFSWUQEYHR-UHFFFAOYSA-N 0 1 377.809 3.906 20 5 GHBDMN O=[N+]([O-])c1cc(CN2CCCC[C@@H]2[C@@H](O)c2ccccc2)c2c(c1)COCO2 ZINC000726972390 926966042 /nfs/dbraw/zinc/96/60/42/926966042.db2.gz AOHFQDMBXVSYQD-UXHICEINSA-N 0 1 384.432 3.549 20 5 GHBDMN Cc1[nH]ncc1C1CCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000375208068 928042723 /nfs/dbraw/zinc/04/27/23/928042723.db2.gz SEMFUWWLMNLZEX-UHFFFAOYSA-N 0 1 385.468 3.538 20 5 GHBDMN C[C@H]1C[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CN1Cc1ccccc1 ZINC000467698000 929312821 /nfs/dbraw/zinc/31/28/21/929312821.db2.gz ODQWLRKRHNWJOB-YOEHRIQHSA-N 0 1 379.416 3.734 20 5 GHBDMN CCc1ccc([C@@H](NC2CCN(C(=O)OC)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000753632855 929454056 /nfs/dbraw/zinc/45/40/56/929454056.db2.gz MUSOZIYVUZMUAN-IBGZPJMESA-N 0 1 387.436 3.660 20 5 GHBDMN CC1(C)OCC(NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CO1 ZINC000758011088 929887524 /nfs/dbraw/zinc/88/75/24/929887524.db2.gz XXUZDWIUUVGOFI-UHFFFAOYSA-N 0 1 376.384 3.767 20 5 GHBDMN Cc1cc(F)cc(C(=O)N2CCN(Cc3ccccc3)CC[C@H]2C)c1[N+](=O)[O-] ZINC000758508240 930065026 /nfs/dbraw/zinc/06/50/26/930065026.db2.gz MVHARTLUIUDRRA-MRXNPFEDSA-N 0 1 385.439 3.779 20 5 GHBDMN O=C(O[C@H]1CCN(Cc2ccccc2)C1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000781810825 930990896 /nfs/dbraw/zinc/99/08/96/930990896.db2.gz YLUJQOYOYIITPS-HNNXBMFYSA-N 0 1 392.358 3.628 20 5 GHBDMN C[C@H]1c2ccc(F)cc2CCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000782499165 931243082 /nfs/dbraw/zinc/24/30/82/931243082.db2.gz LYRFIHKNJHUBMU-LBPRGKRZSA-N 0 1 375.375 3.821 20 5 GHBDMN O=[N+]([O-])c1ccc2[nH]c(CNC3(c4ccc5c(c4)OCCO5)CCCC3)nc2c1 ZINC000557453578 931439212 /nfs/dbraw/zinc/43/92/12/931439212.db2.gz WPJRUPFKVMWICX-UHFFFAOYSA-N 0 1 394.431 3.801 20 5 GHBDMN CN(C(=O)OC(C)(C)C)c1ccc(OC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000796722340 932043890 /nfs/dbraw/zinc/04/38/90/932043890.db2.gz CJHZRCZDXCJHOR-UHFFFAOYSA-N 0 1 388.376 3.891 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1CN(C)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000797518358 932318443 /nfs/dbraw/zinc/31/84/43/932318443.db2.gz CWYIUJSAIHQDBF-UHFFFAOYSA-N 0 1 381.473 3.586 20 5 GHBDMN C[C@@H](N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(-n2cccn2)c(F)c1 ZINC000559307974 932589006 /nfs/dbraw/zinc/58/90/06/932589006.db2.gz MJWUSCWIEKMSGV-KGLIPLIRSA-N 0 1 397.410 3.597 20 5 GHBDMN Nc1ncc(C(=O)Nc2ccc3nc(-c4cccc(F)c4)[nH]c3c2)cc1[N+](=O)[O-] ZINC001137561034 935587480 /nfs/dbraw/zinc/58/74/80/935587480.db2.gz CLPQYXJOZJXLBE-UHFFFAOYSA-N 0 1 392.350 3.507 20 5 GHBDMN C[C@H](CO)[C@H](C)N[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000828833510 935723453 /nfs/dbraw/zinc/72/34/53/935723453.db2.gz HDHCOOVPCGINIH-VBHSOAQHSA-N 0 1 391.855 3.535 20 5 GHBDMN O=C([O-])[C@@H]1CCCN(c2ccc(C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C3CC3)o2)C1 ZINC001594919008 954789988 /nfs/dbraw/zinc/78/99/88/954789988.db2.gz YJWBDELPNHMJQU-MRXNPFEDSA-N 0 1 399.447 3.653 20 5 GHBDMN O=C([O-])[C@@H]1CCCN(c2ccc(C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C3CC3)o2)C1 ZINC001594919008 954789996 /nfs/dbraw/zinc/78/99/96/954789996.db2.gz YJWBDELPNHMJQU-MRXNPFEDSA-N 0 1 399.447 3.653 20 5 GHBDMN O=C([O-])[C@@H]1c2ccccc2CC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Br ZINC001606055980 973165118 /nfs/dbraw/zinc/16/51/18/973165118.db2.gz ITQMQOICPJXNAY-INIZCTEOSA-N 0 1 391.221 3.541 20 5 GHBDMN O=C([O-])[C@@H]1c2ccccc2CC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Br ZINC001606055980 973165121 /nfs/dbraw/zinc/16/51/21/973165121.db2.gz ITQMQOICPJXNAY-INIZCTEOSA-N 0 1 391.221 3.541 20 5 GHBDMN O=C(N[C@H]1CCc2nc(C3CCCCC3)[nH]c2C1)c1cc(F)cc([N+](=O)[O-])c1 ZINC001626235810 1014891636 /nfs/dbraw/zinc/89/16/36/1014891636.db2.gz XXVMIGRJVYXEFL-HNNXBMFYSA-N 0 1 386.427 3.792 20 5 GHBDMN C[N@H+](Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C[C@H]1CCCO[C@H]1c1ccccc1 ZINC001598507354 992523110 /nfs/dbraw/zinc/52/31/10/992523110.db2.gz OAKMFPONPNCOFL-XLIONFOSSA-N 0 1 384.432 3.893 20 5 GHBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)CNc1cccc(CN2CCC[C@H]2C(N)=O)c1 ZINC000468742484 1015983142 /nfs/dbraw/zinc/98/31/42/1015983142.db2.gz BWXYHQIYUHHKHH-NIHHCSOHSA-N 0 1 394.475 3.560 20 5 GHBDMN CCN(CC)[C@@H](C(=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1)c1ccccc1 ZINC000468830047 1016081811 /nfs/dbraw/zinc/08/18/11/1016081811.db2.gz FBGFLUJWKZNGLM-HXUWFJFHSA-N 0 1 378.432 3.587 20 5 GHBDMN CCOc1ccc(-c2nc(-c3ccc(F)c(CN(C)C)c3)no2)cc1[N+](=O)[O-] ZINC000546453913 1016626494 /nfs/dbraw/zinc/62/64/94/1016626494.db2.gz ZLNZPVIDHQFJQJ-UHFFFAOYSA-N 0 1 386.383 3.911 20 5 GHBDMN COc1cc(Cc2noc(-c3cc(-c4ccc(C)o4)n[nH]3)n2)ccc1[N+](=O)[O-] ZINC000547177816 1016844523 /nfs/dbraw/zinc/84/45/23/1016844523.db2.gz MVXUHLDGOWVBJA-UHFFFAOYSA-N 0 1 381.348 3.536 20 5 GHBDMN CC(C)Cn1ncc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1C1CC1 ZINC000557496149 1017003230 /nfs/dbraw/zinc/00/32/30/1017003230.db2.gz GCNXCDWNUJUIQN-UHFFFAOYSA-N 0 1 398.872 3.779 20 5 GHBDMN CNC(=O)C1(NCc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CCCC1 ZINC000779174097 1020453401 /nfs/dbraw/zinc/45/34/01/1020453401.db2.gz JOYQXIIXMPIEMO-UHFFFAOYSA-N 0 1 382.464 3.511 20 5 GHBDMN O=C(Cc1ccccc1)N1CCC[C@H](NCc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000800901273 1021346706 /nfs/dbraw/zinc/34/67/06/1021346706.db2.gz RQAVYNYMLRAOQH-SFHVURJKSA-N 0 1 387.867 3.572 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1CNc1cc(C)cc(CNC(=O)C(F)(F)F)c1 ZINC000834664585 1021352950 /nfs/dbraw/zinc/35/29/50/1021352950.db2.gz URXXAWGIUDNBQX-UHFFFAOYSA-N 0 1 397.353 3.702 20 5 GHBDMN O=C([O-])[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000901787810 1021447577 /nfs/dbraw/zinc/44/75/77/1021447577.db2.gz SKIVJAUNSRMICY-INIZCTEOSA-N 0 1 384.310 3.694 20 5 GHBDMN CCOc1cc(CN2CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000755066253 1023056803 /nfs/dbraw/zinc/05/68/03/1023056803.db2.gz PJURCXVOKCPGBR-GOEBONIOSA-N 0 1 393.484 3.871 20 5 GHBDMN COC(=O)c1cc([N+](=O)[O-])c(O[C@H](C)c2cc(-c3ccccc3)no2)cc1O ZINC001228816047 1033115825 /nfs/dbraw/zinc/11/58/25/1033115825.db2.gz ZZIABIINAWCQDZ-LLVKDONJSA-N 0 1 384.344 3.882 20 5 GHBDMN C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Oc1[n-]c(C(F)(F)F)cc(=O)c1[N+](=O)[O-] ZINC001228858588 1033140632 /nfs/dbraw/zinc/14/06/32/1033140632.db2.gz DOLUPRVWCPRRQD-FZMZJTMJSA-N 0 1 397.353 3.614 20 5 GHBDMN C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Oc1nc(C(F)(F)F)cc([O-])c1[N+](=O)[O-] ZINC001228858588 1033140643 /nfs/dbraw/zinc/14/06/43/1033140643.db2.gz DOLUPRVWCPRRQD-FZMZJTMJSA-N 0 1 397.353 3.614 20 5 GHBDMN C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Oc1nc(C(F)(F)F)cc([O-])c1[N+](=O)[O-] ZINC001228858588 1033140648 /nfs/dbraw/zinc/14/06/48/1033140648.db2.gz DOLUPRVWCPRRQD-FZMZJTMJSA-N 0 1 397.353 3.614 20 5 GHBDMN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N(C)C1CCN(CCC(F)(F)F)CC1 ZINC000837184408 1024199174 /nfs/dbraw/zinc/19/91/74/1024199174.db2.gz WASYMIPXBVQUHA-BUHFOSPRSA-N 0 1 399.413 3.873 20 5 GHBDMN O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCC(F)(F)C2)c1Cl ZINC000831353992 1024512820 /nfs/dbraw/zinc/51/28/20/1024512820.db2.gz ZMEPEDYYDPSUTC-ZETCQYMHSA-N 0 1 389.207 3.615 20 5 GHBDMN C[C@@]1(CCNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1(Cl)Cl ZINC000832370510 1025496562 /nfs/dbraw/zinc/49/65/62/1025496562.db2.gz XLULUJRBQJMNPR-LLVKDONJSA-N 0 1 387.672 3.501 20 5 GHBDMN COc1cc(CN2CC[C@@H](C)[C@H](CNC(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000839092303 1025590150 /nfs/dbraw/zinc/59/01/50/1025590150.db2.gz QYNXKGCPOUKVPJ-GDBMZVCRSA-N 0 1 393.484 3.586 20 5 GHBDMN COCCN(Cc1ccc(F)c(Cl)c1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000832529702 1025657358 /nfs/dbraw/zinc/65/73/58/1025657358.db2.gz KORFGHMHTZTUJA-GOSISDBHSA-N 0 1 382.819 3.569 20 5 GHBDMN C[C@H](c1ccccc1)[C@@H](CO)NCc1cccc([N+](=O)[O-])c1Br ZINC000839555568 1026054604 /nfs/dbraw/zinc/05/46/04/1026054604.db2.gz BYRCWQJECYXTBV-IUODEOHRSA-N 0 1 379.254 3.612 20 5 GHBDMN COc1cc(CN(C)C[C@@H](O)c2cccc(Br)c2)ccc1[N+](=O)[O-] ZINC000839640401 1026147333 /nfs/dbraw/zinc/14/73/33/1026147333.db2.gz KWLPMCIKABRSIK-MRXNPFEDSA-N 0 1 395.253 3.531 20 5 GHBDMN CN1CCN(c2ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn2)[C@@H](c2ccccc2)C1 ZINC001163675020 1026278562 /nfs/dbraw/zinc/27/85/62/1026278562.db2.gz WTUCHXAKAAMBMO-HXUWFJFHSA-N 0 1 393.422 3.684 20 5 GHBDMN COc1ccc(Br)c(CNCCOc2ccc([N+](=O)[O-])cc2)c1 ZINC001461158206 1069417744 /nfs/dbraw/zinc/41/77/44/1069417744.db2.gz FWZAKOTWNLXQHD-UHFFFAOYSA-N 0 1 381.226 3.535 20 5 GHBDMN CC(C)[C@H]1CN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC001166816525 1027093489 /nfs/dbraw/zinc/09/34/89/1027093489.db2.gz ZRJYWFVFUBMPRF-HXUWFJFHSA-N 0 1 399.466 3.645 20 5 GHBDMN C[C@H](c1ccccc1)[C@@H](O)CNCc1c(Br)cccc1[N+](=O)[O-] ZINC001203234850 1027242690 /nfs/dbraw/zinc/24/26/90/1027242690.db2.gz LBORQIVJSSGXMX-PXAZEXFGSA-N 0 1 379.254 3.612 20 5 GHBDMN CCOC(=O)CCCc1nc2cc(Nc3ccc(O)c([N+](=O)[O-])c3)ccc2n1C ZINC001210397935 1027488038 /nfs/dbraw/zinc/48/80/38/1027488038.db2.gz JCEDIQDZCZHLDH-UHFFFAOYSA-N 0 1 398.419 3.817 20 5 GHBDMN CN1CCN(c2ccccc2-c2noc(-c3cccc(Cl)c3[N+](=O)[O-])n2)CC1 ZINC001215702903 1029356869 /nfs/dbraw/zinc/35/68/69/1029356869.db2.gz IPQDUEZVGILTLM-UHFFFAOYSA-N 0 1 399.838 3.717 20 5 GHBDMN CN1CCN(c2cccc(-c3noc(-c4ccc(Cl)c([N+](=O)[O-])c4)n3)c2)CC1 ZINC001216485787 1029658834 /nfs/dbraw/zinc/65/88/34/1029658834.db2.gz RCNLKHJUPJMBRA-UHFFFAOYSA-N 0 1 399.838 3.717 20 5 GHBDMN O=[N+]([O-])c1cc(O)ccc1-c1nc(-c2cc(F)cc(Br)c2)no1 ZINC001216890958 1029981694 /nfs/dbraw/zinc/98/16/94/1029981694.db2.gz KZKJKBAFAVECGJ-UHFFFAOYSA-N 0 1 380.129 3.919 20 5 GHBDMN COc1c(Br)cccc1-c1noc(-c2cc(O)cc([N+](=O)[O-])c2)n1 ZINC001216924323 1030003679 /nfs/dbraw/zinc/00/36/79/1030003679.db2.gz DTKZQZWRYJYYBC-UHFFFAOYSA-N 0 1 392.165 3.789 20 5 GHBDMN C[C@@H](c1ccccn1)N1CCC[C@@H](OCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC001222931587 1030355918 /nfs/dbraw/zinc/35/59/18/1030355918.db2.gz LHPLZMGEIKULOA-GOEBONIOSA-N 0 1 382.420 3.873 20 5 GHBDMN COC(=O)c1ccc(CO[C@@H]2CCCN([C@H](C)c3ccccn3)C2)c([N+](=O)[O-])c1 ZINC001223414961 1030566463 /nfs/dbraw/zinc/56/64/63/1030566463.db2.gz UFFPGHLJIOXDPA-CRAIPNDOSA-N 0 1 399.447 3.519 20 5 GHBDMN N[C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)Nc1ccn2cnnc2c1 ZINC001218659097 1031022755 /nfs/dbraw/zinc/02/27/55/1031022755.db2.gz MMXIZJADIQACMG-NRFANRHFSA-N 0 1 381.439 3.544 20 5 GHBDMN COc1ccc([C@H](C)NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c(Br)c1 ZINC001152898219 1031390225 /nfs/dbraw/zinc/39/02/25/1031390225.db2.gz YEUVUDXZQSIDGB-VIFPVBQESA-N 0 1 395.209 3.563 20 5 GHBDMN CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)CCC[C@H]2Oc1cc(O)ccc1[N+](=O)[O-] ZINC001225488211 1031436903 /nfs/dbraw/zinc/43/69/03/1031436903.db2.gz CLLHWYDTUHGAKR-IVMMDQJWSA-N 0 1 378.425 3.715 20 5 GHBDMN O=C(N[C@@H]1CNCc2ccsc21)c1ccc2oc3ccccc3c(=O)c2c1 ZINC001219829406 1031644449 /nfs/dbraw/zinc/64/44/49/1031644449.db2.gz UOHCIAQGMUMNAO-MRXNPFEDSA-N 0 1 376.437 3.582 20 5 GHBDMN CC(C)c1cc([C@@H]2CCCN(C(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)C2)n[nH]1 ZINC001154176410 1031967823 /nfs/dbraw/zinc/96/78/23/1031967823.db2.gz LVZZNMBVDKMLSS-CYBMUJFWSA-N 0 1 381.436 3.942 20 5 GHBDMN CCN1CC[C@@H](Oc2ccc3c(c2)occ(-c2ccc([N+](=O)[O-])cc2)c3=O)C1 ZINC001229267816 1033380592 /nfs/dbraw/zinc/38/05/92/1033380592.db2.gz TUMPVFPMWXGLBN-QGZVFWFLSA-N 0 1 380.400 3.841 20 5 GHBDMN Cc1nc(O[C@H](C(=O)c2cccs2)c2cccs2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229382331 1033450313 /nfs/dbraw/zinc/45/03/13/1033450313.db2.gz RVUFTAOBBGKCET-ZDUSSCGKSA-N 0 1 377.403 3.525 20 5 GHBDMN CCCSc1nc(O[C@H]2CCc3c2nccc3Cl)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229790698 1033715730 /nfs/dbraw/zinc/71/57/30/1033715730.db2.gz CBBWPHLMRHHYAZ-JTQLQIEISA-N 0 1 382.829 3.707 20 5 GHBDMN O=c1oc2cc(OC[C@H]3COc4ccccc4O3)ccc2c2ccc(O)cc12 ZINC001229797563 1033722636 /nfs/dbraw/zinc/72/26/36/1033722636.db2.gz GXQRRAREKZBSHR-HNNXBMFYSA-N 0 1 376.364 3.871 20 5 GHBDMN CN1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O[C@@H](C[N+](=O)[O-])C2CC2)c1-3 ZINC001230129734 1033913296 /nfs/dbraw/zinc/91/32/96/1033913296.db2.gz OWUZRKHZYGLLIW-MJGOQNOKSA-N 0 1 380.444 3.578 20 5 GHBDMN CC(C)(C)OC(=O)N1CCC[C@@H](Oc2cc3[nH]ncc3cc2[N+](=O)[O-])[C@H](F)C1 ZINC001230596942 1034139264 /nfs/dbraw/zinc/13/92/64/1034139264.db2.gz XNZKCUOKEQCPMS-IUODEOHRSA-N 0 1 394.403 3.588 20 5 GHBDMN CCCC(=O)Nc1c(O[C@@H]2CCN([C@H](C)c3ccccn3)C2)cccc1[N+](=O)[O-] ZINC001231360961 1034535827 /nfs/dbraw/zinc/53/58/27/1034535827.db2.gz BOYKVFTWJDBPFO-HZPDHXFCSA-N 0 1 398.463 3.943 20 5 GHBDMN CC(C)[C@H]1COCCN1C(=O)[C@@H](N)Cc1c2ccccc2cc2ccccc21 ZINC001160670074 1035030857 /nfs/dbraw/zinc/03/08/57/1035030857.db2.gz RHFHHOIHHUOBEU-XZOQPEGZSA-N 0 1 376.500 3.746 20 5 GHBDMN CCOc1nc(N[C@H]2CCN(Cc3cccc(Cl)c3)C2)ccc1[N+](=O)[O-] ZINC001161180344 1035169505 /nfs/dbraw/zinc/16/95/05/1035169505.db2.gz DMKWYCAPKPTTPI-HNNXBMFYSA-N 0 1 376.844 3.728 20 5 GHBDMN Cc1ccc(CN2CCCN(C(=O)c3cccc(Cl)c3[N+](=O)[O-])CC2)cc1 ZINC001252794535 1039174159 /nfs/dbraw/zinc/17/41/59/1039174159.db2.gz VTRHAEPMAALTCQ-UHFFFAOYSA-N 0 1 387.867 3.905 20 5 GHBDMN CC(C)=CCc1c(O)cc2oc3ccc(O)cc3c(=O)c2c1OC1CN(C)C1 ZINC001234740411 1040265485 /nfs/dbraw/zinc/26/54/85/1040265485.db2.gz KHUATBDTKWGJEF-UHFFFAOYSA-N 0 1 381.428 3.559 20 5 GHBDMN O=C(Nc1ccccc1)[C@@H]1CCC[N@@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254483006 1040271734 /nfs/dbraw/zinc/27/17/34/1040271734.db2.gz OPBWNYNLZWAYCA-NRFANRHFSA-N 0 1 394.475 3.667 20 5 GHBDMN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1C[C@@H](NC(=O)OC(C)(C)C)C2(CC2)C1 ZINC001254550461 1040319194 /nfs/dbraw/zinc/31/91/94/1040319194.db2.gz KBEINSJVCPAQEP-WMLDXEAASA-N 0 1 375.469 3.515 20 5 GHBDMN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCN(c2ccc3ccccc3n2)CC1 ZINC001254558677 1040328731 /nfs/dbraw/zinc/32/87/31/1040328731.db2.gz HWFASUZHOITZBF-QGZVFWFLSA-N 0 1 376.460 3.896 20 5 GHBDMN CO[C@H](CN1CCN([C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1)c1ccccc1 ZINC001254567062 1040341843 /nfs/dbraw/zinc/34/18/43/1040341843.db2.gz VXUXFETTZUYCHQ-PGRDOPGGSA-N 0 1 383.492 3.531 20 5 GHBDMN O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CCN(c3ccc(C(F)(F)F)cc3)CC1)C2 ZINC001254601046 1040372218 /nfs/dbraw/zinc/37/22/18/1040372218.db2.gz XPVOBZYALYAQKJ-LJQANCHMSA-N 0 1 391.393 3.903 20 5 GHBDMN C[C@@H]1C[C@]2(CC[C@H](CNCc3cc(Cl)cc(Cl)c3[N+](=O)[O-])O2)CO1 ZINC001462594462 1070398686 /nfs/dbraw/zinc/39/86/86/1070398686.db2.gz YMMVGDUTZOORNI-CKUKBARFSA-N 0 1 375.252 3.718 20 5 GHBDMN C[C@@H]1CN(CCc2nnc(-c3ccc(-c4cccc([N+](=O)[O-])c4)o3)o2)C[C@@H](C)O1 ZINC001258120348 1044406992 /nfs/dbraw/zinc/40/69/92/1044406992.db2.gz RAJRGDLKNFGDNY-ZIAGYGMSSA-N 0 1 398.419 3.557 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C2CCC(C(C)C)CC2)CC1 ZINC001294353841 1044590593 /nfs/dbraw/zinc/59/05/93/1044590593.db2.gz FGBLQONDYPDKBL-UHFFFAOYSA-N 0 1 389.496 3.576 20 5 GHBDMN CCOc1ccc2nc(Sc3c([N+](=O)[O-])c(C(F)(F)F)nn3C)[nH]c2c1 ZINC001306925439 1048962215 /nfs/dbraw/zinc/96/22/15/1048962215.db2.gz GWFXRUSFVKRETA-UHFFFAOYSA-N 0 1 387.343 3.773 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Cc1ccc(CN2CCCCC2)cc1 ZINC001307265402 1049169501 /nfs/dbraw/zinc/16/95/01/1049169501.db2.gz SWTSGVFGIRKYRV-UHFFFAOYSA-N 0 1 388.489 3.863 20 5 GHBDMN CC1(c2ccccc2)CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC001307584884 1049423157 /nfs/dbraw/zinc/42/31/57/1049423157.db2.gz DLUQJDKQKFYMER-UHFFFAOYSA-N 0 1 379.460 3.538 20 5 GHBDMN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN(CCC(F)(F)F)Cc1ccccc1 ZINC001307743966 1049556014 /nfs/dbraw/zinc/55/60/14/1049556014.db2.gz GHZXAMWPVQNHHC-INIZCTEOSA-N 0 1 398.381 3.789 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1[C@H](C)C[C@H](c2ccccc2)[C@H]1C ZINC001307804107 1049603138 /nfs/dbraw/zinc/60/31/38/1049603138.db2.gz ZDLYGVJDVRSVQA-RKVPGOIHSA-N 0 1 383.448 3.808 20 5 GHBDMN COc1cccc2c1CC[C@@]2(CO)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001308502562 1049991893 /nfs/dbraw/zinc/99/18/93/1049991893.db2.gz VAPIVNCKJYCTFD-QFIPXVFZSA-N 0 1 394.427 3.787 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2nc(CN[C@@H](CO)CCc3ccccc3)cs2)c1 ZINC001308525162 1049998917 /nfs/dbraw/zinc/99/89/17/1049998917.db2.gz CPJBMAXKQKEPDK-QGZVFWFLSA-N 0 1 383.473 3.802 20 5 GHBDMN O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)N[C@H](CF)c1ccc(F)cc1 ZINC001309786327 1050972937 /nfs/dbraw/zinc/97/29/37/1050972937.db2.gz UZXSBFRSGGBXMY-GFCCVEGCSA-N 0 1 394.758 3.516 20 5 GHBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@](O)(c2ccccc2)C1 ZINC001335103333 1052035056 /nfs/dbraw/zinc/03/50/56/1052035056.db2.gz VSJDJLNKLGAGDL-YCRPNKLZSA-N 0 1 394.431 3.689 20 5 GHBDMN C[C@@H](NC(=O)NC1CCN([C@H](C)c2ccncc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC001312335672 1052701493 /nfs/dbraw/zinc/70/14/93/1052701493.db2.gz DWTYKDOAQQXLHT-HZPDHXFCSA-N 0 1 397.479 3.576 20 5 GHBDMN CC(C)c1n[nH]c(NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)n1 ZINC001318297659 1054553307 /nfs/dbraw/zinc/55/33/07/1054553307.db2.gz KIKGQKRBQSTSMG-LBPRGKRZSA-N 0 1 395.423 3.657 20 5 GHBDMN CC(C)c1nc(NC(=O)c2ccc(N[C@@H](C)c3ccccn3)c([N+](=O)[O-])c2)n[nH]1 ZINC001318297659 1054553321 /nfs/dbraw/zinc/55/33/21/1054553321.db2.gz KIKGQKRBQSTSMG-LBPRGKRZSA-N 0 1 395.423 3.657 20 5 GHBDMN COC(=O)[C@H]1CCCC[C@@]1(C)NCc1ccc([N+](=O)[O-])cc1Br ZINC001320413277 1055791702 /nfs/dbraw/zinc/79/17/02/1055791702.db2.gz VQBURDQCNGXFGY-CZUORRHYSA-N 0 1 385.258 3.569 20 5 GHBDMN C[C@H](N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(Cl)c(F)c1 ZINC001323428347 1056968933 /nfs/dbraw/zinc/96/89/33/1056968933.db2.gz OAKWHRICPFVFPA-GTNSWQLSSA-N 0 1 377.803 3.843 20 5 GHBDMN CN1CC[C@H](NCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H]1c1ccc(F)cc1 ZINC001323881497 1057028251 /nfs/dbraw/zinc/02/82/51/1057028251.db2.gz UWIQZHTVVIHBLA-PMACEKPBSA-N 0 1 396.422 3.924 20 5 GHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC(Cc2cccc(OC(F)(F)F)c2)C1 ZINC001445485875 1059543418 /nfs/dbraw/zinc/54/34/18/1059543418.db2.gz KQJVJRYFDGKDIL-UHFFFAOYSA-N 0 1 396.321 3.514 20 5 GHBDMN O=C(Nc1ccc([C@H]2CCOC2)cc1)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001450360309 1060580740 /nfs/dbraw/zinc/58/07/40/1060580740.db2.gz QJRPAVXWSBJDBN-HNNXBMFYSA-N 0 1 378.388 3.741 20 5 GHBDMN Cc1c(C(=O)O[C@@H](c2cccnc2)c2ccccc2[N+](=O)[O-])ccc2cncn21 ZINC001347153825 1062168435 /nfs/dbraw/zinc/16/84/35/1062168435.db2.gz SFYLYBNXJQGIIK-FQEVSTJZSA-N 0 1 388.383 3.892 20 5 GHBDMN O=C(Nc1ccnn1Cc1ccc(Cl)s1)c1cc(O)cc([N+](=O)[O-])c1 ZINC001456640840 1062796033 /nfs/dbraw/zinc/79/60/33/1062796033.db2.gz OEBKUHHEQJADTG-UHFFFAOYSA-N 0 1 378.797 3.512 20 5 GHBDMN CCN(CCNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)OC)CCC(F)(F)F ZINC001458317052 1063740018 /nfs/dbraw/zinc/74/00/18/1063740018.db2.gz ROYXUIDAUCOMIH-UHFFFAOYSA-N 0 1 397.781 3.721 20 5 GHBDMN COc1ccc(Cl)cc1-c1n[nH]c(SCc2cccnc2[N+](=O)[O-])n1 ZINC001458810893 1063940607 /nfs/dbraw/zinc/94/06/07/1063940607.db2.gz HXJNRFQTRMLLSB-UHFFFAOYSA-N 0 1 377.813 3.729 20 5 GHBDMN CC(C)N(CCOc1ccc2cc(Br)ccc2c1)CC[N+](=O)[O-] ZINC001459585893 1064135500 /nfs/dbraw/zinc/13/55/00/1064135500.db2.gz GVSFUINDZNMZCJ-UHFFFAOYSA-N 0 1 381.270 3.968 20 5 GHBDMN Cc1cc(Oc2cc(Cl)ccc2CNC(=O)[C@@H]2CC2[N+](=O)[O-])ccc1F ZINC001438907488 1064137533 /nfs/dbraw/zinc/13/75/33/1064137533.db2.gz IVFPNBNMDSHEFC-GDBMZVCRSA-N 0 1 378.787 3.861 20 5 GHBDMN C[C@@]1(CCNS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CC1(F)F ZINC000849461677 1067853179 /nfs/dbraw/zinc/85/31/79/1067853179.db2.gz WSULEKBYLRNIIH-LLVKDONJSA-N 0 1 389.207 3.615 20 5 GHBDMN CC(C)(C)O[C@@H]1C[C@H](NCc2nnc(-c3ccccc3[N+](=O)[O-])o2)C12CCC2 ZINC001460437192 1068964738 /nfs/dbraw/zinc/96/47/38/1068964738.db2.gz VIGVGTPSWOOZIR-JKSUJKDBSA-N 0 1 386.452 3.861 20 5 GHBDMN Cc1c(CNC(=O)N2CCN(Cc3ccccc3)C(C)(C)C2)cccc1[N+](=O)[O-] ZINC001478428515 1078864692 /nfs/dbraw/zinc/86/46/92/1078864692.db2.gz AISLNBSSKHMFEC-UHFFFAOYSA-N 0 1 396.491 3.709 20 5 GHBDMN O=C(Nc1ccc(CN2CCCC2)c(C(F)(F)F)c1)c1cc([N+](=O)[O-])c[nH]1 ZINC001471805292 1073223456 /nfs/dbraw/zinc/22/34/56/1073223456.db2.gz UJACCCWEMQTMBY-UHFFFAOYSA-N 0 1 382.342 3.790 20 5 GHBDMN CCN(Cc1cc(OC)c(F)cc1[N+](=O)[O-])[C@@H](COC)Cc1ccccc1 ZINC001473214183 1073865042 /nfs/dbraw/zinc/86/50/42/1073865042.db2.gz VKNNDYPVNCDPKO-QGZVFWFLSA-N 0 1 376.428 3.822 20 5 GHBDMN CC[C@@H](Cc1ccccc1Br)N(C)Cc1cn(C)nc1[N+](=O)[O-] ZINC001473400326 1073950275 /nfs/dbraw/zinc/95/02/75/1073950275.db2.gz PKROOAWTZVLSIE-AWEZNQCLSA-N 0 1 381.274 3.544 20 5 GHBDMN C[C@@H]1CN(c2cccc(Cl)c2)CCN1CCOc1cccc([N+](=O)[O-])c1 ZINC001473493416 1073988113 /nfs/dbraw/zinc/98/81/13/1073988113.db2.gz BLFFAYSZUVYARU-OAHLLOKOSA-N 0 1 375.856 3.838 20 5 GHBDMN CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CCC([C@@H](C)CO)CC2)cc1OC ZINC001473619956 1074051863 /nfs/dbraw/zinc/05/18/63/1074051863.db2.gz STAVKLLEHMEPFD-CVEARBPZSA-N 0 1 394.512 3.869 20 5 GHBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCC([C@@H](C)CO)CC2)cc1OC ZINC001473619957 1074052160 /nfs/dbraw/zinc/05/21/60/1074052160.db2.gz STAVKLLEHMEPFD-HOTGVXAUSA-N 0 1 394.512 3.869 20 5 GHBDMN CC(C)c1cc([C@H]2CCCN([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)[nH]n1 ZINC001473773637 1074135416 /nfs/dbraw/zinc/13/54/16/1074135416.db2.gz XEGUVPITEKVYEV-GJZGRUSLSA-N 0 1 385.468 3.648 20 5 GHBDMN C[C@@H](N[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc2c(c1)CCO2 ZINC001473842035 1074170467 /nfs/dbraw/zinc/17/04/67/1074170467.db2.gz IDMMYIGMDYCXJB-NEPJUHHUSA-N 0 1 389.839 3.861 20 5 GHBDMN O=[N+]([O-])c1ccc2oc(CNC[C@H](O)c3ccc(C(F)(F)F)cc3)nc2c1 ZINC001474562279 1074464424 /nfs/dbraw/zinc/46/44/24/1074464424.db2.gz PETBRSCEBBENML-AWEZNQCLSA-N 0 1 381.310 3.578 20 5 GHBDMN CC(NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])(C1CC1)C1CC1 ZINC001475516717 1074902511 /nfs/dbraw/zinc/90/25/11/1074902511.db2.gz PWKIGZJVLNOLQS-UHFFFAOYSA-N 0 1 379.265 3.759 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NC[C@@H]1CCCC12CC2 ZINC001475555005 1074913122 /nfs/dbraw/zinc/91/31/22/1074913122.db2.gz ITVNYYMFHNJIGK-VIFPVBQESA-N 0 1 379.265 3.760 20 5 GHBDMN Cc1cc(C(=O)Nc2cc(Cl)ccc2N2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000005200840 212064541 /nfs/dbraw/zinc/06/45/41/212064541.db2.gz LYGLJHZXSJHTKY-UHFFFAOYSA-N 0 1 388.855 3.561 20 5 GHBDMN C[C@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])o1)c1cccc(-c2nn[nH]n2)c1 ZINC000820426458 599396098 /nfs/dbraw/zinc/39/60/98/599396098.db2.gz KCQHQQRZBVVBNR-ZDUSSCGKSA-N 0 1 390.403 3.886 20 5 GHBDMN O=C([O-])/C=C\c1ccc(NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000739622402 599960171 /nfs/dbraw/zinc/96/01/71/599960171.db2.gz BAOKIIOUMDFVHT-FUKPKEADSA-N 0 1 395.459 3.669 20 5 GHBDMN CCc1[nH+]ccn1[C@@H]1CCCN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000830328798 604265437 /nfs/dbraw/zinc/26/54/37/604265437.db2.gz VMJVMSBIPIUJOL-LLVKDONJSA-N 0 1 378.816 3.547 20 5 GHBDMN CN(Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000825976623 608521993 /nfs/dbraw/zinc/52/19/93/608521993.db2.gz NYPVCYRTBAAESQ-UHFFFAOYSA-N 0 1 390.403 3.667 20 5 GHBDMN Cc1c(C)c(N2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)ncc1[N+](=O)[O-] ZINC001164996347 722202188 /nfs/dbraw/zinc/20/21/88/722202188.db2.gz UETKYEULQNRQJE-OAQYLSRUSA-N 0 1 384.455 3.991 20 5 GHBDMN CCOc1ccc([C@H](C)N[C@H]2CCN(c3ccccc3F)C2=O)cc1[N+](=O)[O-] ZINC000180770702 837518135 /nfs/dbraw/zinc/51/81/35/837518135.db2.gz NMIOOTPUIFGLJS-BBRMVZONSA-N 0 1 387.411 3.589 20 5 GHBDMN CC(C)CCSc1ccc(C(=O)N2CCN3CCC2CC3)cc1[N+](=O)[O-] ZINC000188823268 837738957 /nfs/dbraw/zinc/73/89/57/837738957.db2.gz ZNOUCSLRTMGARO-UHFFFAOYSA-N 0 1 377.510 3.653 20 5 GHBDMN Cc1ccc([C@H](C)NC(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)cc1[N+](=O)[O-] ZINC000163239296 834706548 /nfs/dbraw/zinc/70/65/48/834706548.db2.gz HYTNDSNTZHEFNS-XJKSGUPXSA-N 0 1 398.467 3.549 20 5 GHBDMN Cc1coc(-c2ccc(C)c(NS(=O)(=O)c3csc([N+](=O)[O-])c3)c2)n1 ZINC000120287611 835060114 /nfs/dbraw/zinc/06/01/14/835060114.db2.gz DNLHYDNYISEMTC-UHFFFAOYSA-N 0 1 379.419 3.729 20 5 GHBDMN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@H]1c1cccc(Cl)c1 ZINC000544070451 835083304 /nfs/dbraw/zinc/08/33/04/835083304.db2.gz ZZHMQGSIHXQDFC-IRXDYDNUSA-N 0 1 376.840 3.825 20 5 GHBDMN O=[N+]([O-])c1cc(CN[C@@H](c2nnc[nH]2)c2ccc(F)cc2)cc(C(F)(F)F)c1 ZINC000584008523 835402274 /nfs/dbraw/zinc/40/22/74/835402274.db2.gz VGEVPQPXYUHUCA-OAHLLOKOSA-N 0 1 395.316 3.750 20 5 GHBDMN COc1ccc(-c2ccc(CN[C@@]3(CO)CCc4ccccc43)o2)c([N+](=O)[O-])c1 ZINC000135899466 835931223 /nfs/dbraw/zinc/93/12/23/835931223.db2.gz HYWCCEOCRNMQLG-JOCHJYFZSA-N 0 1 394.427 3.787 20 5 GHBDMN COC[C@@H](N[C@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1)C1CC1 ZINC000136671441 836296939 /nfs/dbraw/zinc/29/69/39/836296939.db2.gz HLQIBMRPVGTTHY-QUCCMNQESA-N 0 1 383.448 3.598 20 5 GHBDMN CC(C)OC[C@@H](CO)N(C)Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000582572884 836443183 /nfs/dbraw/zinc/44/31/83/836443183.db2.gz BKQGUOYAEOUYOE-LJQANCHMSA-N 0 1 387.480 3.580 20 5 GHBDMN O=C(NCCN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)c1ccccc1F ZINC000180192556 836601335 /nfs/dbraw/zinc/60/13/35/836601335.db2.gz YFDDIXPENYBRLI-NRFANRHFSA-N 0 1 393.418 3.843 20 5 GHBDMN O=C(NCc1nc2ccc(F)cc2[nH]1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000176124993 844205673 /nfs/dbraw/zinc/20/56/73/844205673.db2.gz PNHVDBUGXANHAJ-UHFFFAOYSA-N 0 1 397.391 3.664 20 5 GHBDMN C[C@@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)c1nc2ccccc2n1C(F)F ZINC000275403937 836986972 /nfs/dbraw/zinc/98/69/72/836986972.db2.gz CFMCSXKDUKDLLB-BZNIZROVSA-N 0 1 376.363 3.724 20 5 GHBDMN CC(C)(C(=O)NCc1nc2ccc(Cl)cc2[nH]1)c1ccc([N+](=O)[O-])cc1F ZINC000613020020 837109936 /nfs/dbraw/zinc/10/99/36/837109936.db2.gz GJFNHVREAFQRGQ-UHFFFAOYSA-N 0 1 390.802 3.858 20 5 GHBDMN CC(C)(NC(=O)NC[C@@H](c1ccco1)N1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000177440282 837961841 /nfs/dbraw/zinc/96/18/41/837961841.db2.gz MFNGHHRJZCFBJU-KRWDZBQOSA-N 0 1 386.452 3.559 20 5 GHBDMN C[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1OCCc2sccc21 ZINC000292533475 844294728 /nfs/dbraw/zinc/29/47/28/844294728.db2.gz XELSYEGIFZSXOT-BTDLBPIBSA-N 0 1 395.868 3.540 20 5 GHBDMN CC1(C)CO[C@H](CN2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)C1 ZINC001167315268 838231914 /nfs/dbraw/zinc/23/19/14/838231914.db2.gz WIZXPUYFCZWNHG-AWEZNQCLSA-N 0 1 387.402 3.551 20 5 GHBDMN CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000584550756 838342852 /nfs/dbraw/zinc/34/28/52/838342852.db2.gz DXDZOTWOQJQMTA-HOTGVXAUSA-N 0 1 389.496 3.513 20 5 GHBDMN O=C(Cc1ccc(C(F)(F)F)cc1)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000103202056 838376091 /nfs/dbraw/zinc/37/60/91/838376091.db2.gz WCVDYHNTNGGTFF-UHFFFAOYSA-N 0 1 391.309 3.580 20 5 GHBDMN O=C(CN1CC[C@@H](C2CC2)C1)Nc1cc(N2CC[C@@H](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000535727171 844351713 /nfs/dbraw/zinc/35/17/13/844351713.db2.gz SDKJMNHHDULDSF-QZTJIDSGSA-N 0 1 398.507 3.502 20 5 GHBDMN COc1cc(CN[C@H]2c3ccccc3CC23CCOCC3)c([N+](=O)[O-])cc1F ZINC000290246342 838769381 /nfs/dbraw/zinc/76/93/81/838769381.db2.gz ZQTIYKYTVXRWPE-FQEVSTJZSA-N 0 1 386.423 3.926 20 5 GHBDMN CCOC(=O)[C@H]1CC[C@H](NCc2cc([N+](=O)[O-])ccc2OC)c2ccccc21 ZINC000549228543 839414748 /nfs/dbraw/zinc/41/47/48/839414748.db2.gz OXHKNEFOTWEIJI-OALUTQOASA-N 0 1 384.432 3.875 20 5 GHBDMN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCNC[C@H]1c1cccc(Cl)c1 ZINC000261660565 839520074 /nfs/dbraw/zinc/52/00/74/839520074.db2.gz FQBBRKUBVMOHFR-KRWDZBQOSA-N 0 1 394.258 3.617 20 5 GHBDMN CCc1nc2c(s1)[C@@H](N(C)C(=O)c1[nH]nc3ccc([N+](=O)[O-])cc31)CCC2 ZINC000119125155 839617138 /nfs/dbraw/zinc/61/71/38/839617138.db2.gz VKQNEAKWMVADJZ-AWEZNQCLSA-N 0 1 385.449 3.640 20 5 GHBDMN CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CCC[C@@](C)(C(=O)[O-])C2)cc1OC ZINC000583817187 839780640 /nfs/dbraw/zinc/78/06/40/839780640.db2.gz BAQPNNXCEBQOSO-JLTOFOAXSA-N 0 1 394.468 3.715 20 5 GHBDMN CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000046987020 840109547 /nfs/dbraw/zinc/10/95/47/840109547.db2.gz GJVVXIFFENNSCZ-UHFFFAOYSA-N 0 1 396.491 3.573 20 5 GHBDMN CC[C@H](CS(=O)(=O)c1ccccc1)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000181662712 840643064 /nfs/dbraw/zinc/64/30/64/840643064.db2.gz GOWZPPOPBNGGEJ-APWZRJJASA-N 0 1 376.478 3.888 20 5 GHBDMN CCN(Cc1cc(Br)ccc1F)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000500058327 841347776 /nfs/dbraw/zinc/34/77/76/841347776.db2.gz XBXLAGWWTKVTNY-UHFFFAOYSA-N 0 1 397.200 3.864 20 5 GHBDMN COc1cc(CN(C)CC2(C)COC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000600189647 861216370 /nfs/dbraw/zinc/21/63/70/861216370.db2.gz INBHQGDSZZDFRL-UHFFFAOYSA-N 0 1 386.448 3.651 20 5 GHBDMN CC[C@@H](NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000157214014 841689706 /nfs/dbraw/zinc/68/97/06/841689706.db2.gz LVNUUJAZVNUJPD-GQIGUUNPSA-N 0 1 384.480 3.844 20 5 GHBDMN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@@H]2c2cccc(Cl)c2)c1 ZINC000603840651 861236911 /nfs/dbraw/zinc/23/69/11/861236911.db2.gz PGKDOSOPXLWCMQ-PKOBYXMFSA-N 0 1 376.840 3.825 20 5 GHBDMN CN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051132709 841849950 /nfs/dbraw/zinc/84/99/50/841849950.db2.gz BSXVBURHUUUHHO-PGRDOPGGSA-N 0 1 397.475 3.657 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(Cc1ccccc1)CC1CCOCC1 ZINC000111261450 842036095 /nfs/dbraw/zinc/03/60/95/842036095.db2.gz QTNBYEJXRWWVPV-UHFFFAOYSA-N 0 1 397.475 3.771 20 5 GHBDMN O=C(NCCN1CC=CCC1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000477641051 842330863 /nfs/dbraw/zinc/33/08/63/842330863.db2.gz VEJDYQVSCLRTIO-UHFFFAOYSA-N 0 1 383.473 3.738 20 5 GHBDMN COc1ccccc1[C@@H](CNC(=O)c1ccccc1[N+](=O)[O-])N1CCCCC1 ZINC000055752243 861303209 /nfs/dbraw/zinc/30/32/09/861303209.db2.gz WERUAZXBCDVFPC-LJQANCHMSA-N 0 1 383.448 3.560 20 5 GHBDMN COc1ccc2oc([C@@H](C)NCC(=O)Nc3ccccc3[N+](=O)[O-])c(C)c2c1 ZINC000178206573 842480148 /nfs/dbraw/zinc/48/01/48/842480148.db2.gz LFLWGIWVNWVGHN-CYBMUJFWSA-N 0 1 383.404 3.947 20 5 GHBDMN CCc1nc(C2CCN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)CC2)n[nH]1 ZINC000302727647 861337062 /nfs/dbraw/zinc/33/70/62/861337062.db2.gz QADUAJKBTAZOKE-UHFFFAOYSA-N 0 1 378.436 3.721 20 5 GHBDMN CCc1nnc(C2CCN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)CC2)[nH]1 ZINC000302727647 861337072 /nfs/dbraw/zinc/33/70/72/861337072.db2.gz QADUAJKBTAZOKE-UHFFFAOYSA-N 0 1 378.436 3.721 20 5 GHBDMN Cn1ccnc1Sc1ccc(F)cc1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000432502465 842720292 /nfs/dbraw/zinc/72/02/92/842720292.db2.gz SYBAJDVOAVGODH-UHFFFAOYSA-N 0 1 388.380 3.577 20 5 GHBDMN NC(=O)C[C@@H]1CCCN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000093809048 842735600 /nfs/dbraw/zinc/73/56/00/842735600.db2.gz QDDFXJSYOXBHHV-AWEZNQCLSA-N 0 1 387.411 3.614 20 5 GHBDMN O=C(CCN1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000610614390 843298170 /nfs/dbraw/zinc/29/81/70/843298170.db2.gz QKWFPAJYYCONEL-UWVGGRQHSA-N 0 1 399.291 3.596 20 5 GHBDMN CN(C)[C@@H](CNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000548416208 843312503 /nfs/dbraw/zinc/31/25/03/843312503.db2.gz ZROAAPRDNUOQRE-INIZCTEOSA-N 0 1 380.807 3.812 20 5 GHBDMN Cc1ccc(Sc2ccc(C(=O)N[C@@H](C)c3nnc[nH]3)cc2[N+](=O)[O-])cc1 ZINC000176190074 844746456 /nfs/dbraw/zinc/74/64/56/844746456.db2.gz QWZCKFAPDLRZSP-LBPRGKRZSA-N 0 1 383.433 3.664 20 5 GHBDMN Cc1cccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)c1Br ZINC000152133466 844834677 /nfs/dbraw/zinc/83/46/77/844834677.db2.gz NHNXBJSAWHKPOL-UHFFFAOYSA-N 0 1 385.239 3.775 20 5 GHBDMN Cc1c([C@H](C)NCc2ccc(S(C)(=O)=O)c(Cl)c2)cccc1[N+](=O)[O-] ZINC000277151903 844870257 /nfs/dbraw/zinc/87/02/57/844870257.db2.gz QHYKDXPZEHZLFV-LBPRGKRZSA-N 0 1 382.869 3.811 20 5 GHBDMN CC1(C)C[C@@H](N[C@@H](CN2CCOCC2)c2ccccc2)c2cc([N+](=O)[O-])ccc21 ZINC000433168175 845580256 /nfs/dbraw/zinc/58/02/56/845580256.db2.gz LPHLERAPZIINEF-YADHBBJMSA-N 0 1 395.503 3.980 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1CN[C@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000502515268 846167881 /nfs/dbraw/zinc/16/78/81/846167881.db2.gz WNPHCDLWWOTMPZ-IBGZPJMESA-N 0 1 376.840 3.748 20 5 GHBDMN CCCN1C[C@H](CN[C@@H](c2ccc(CC)o2)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000421882410 846644684 /nfs/dbraw/zinc/64/46/84/846644684.db2.gz PQEDJFDZTBMSKD-YCRPNKLZSA-N 0 1 385.464 3.688 20 5 GHBDMN Cc1ccc(-c2n[nH]c(SCC(=O)Nc3c(C)cccc3[N+](=O)[O-])n2)cc1 ZINC000005865947 846715131 /nfs/dbraw/zinc/71/51/31/846715131.db2.gz DXZGJAQDPQTDPP-UHFFFAOYSA-N 0 1 383.433 3.728 20 5 GHBDMN C[C@@H](NC(=O)c1cc(Br)cc2nc[nH]c21)c1cccc([N+](=O)[O-])c1 ZINC000503157092 846850908 /nfs/dbraw/zinc/85/09/08/846850908.db2.gz FLLXGUMDKLETDQ-SECBINFHSA-N 0 1 389.209 3.725 20 5 GHBDMN Cc1nc2ccc(NS(=O)(=O)c3cc(Cl)c(C)c([N+](=O)[O-])c3)cc2o1 ZINC000127533669 847049277 /nfs/dbraw/zinc/04/92/77/847049277.db2.gz WECIUUBMIRDPRI-UHFFFAOYSA-N 0 1 381.797 3.807 20 5 GHBDMN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H](C)N1CCc2ccccc2C1 ZINC000127590475 847108229 /nfs/dbraw/zinc/10/82/29/847108229.db2.gz UXTCKOWAZVLUMU-HNNXBMFYSA-N 0 1 382.464 3.780 20 5 GHBDMN CCCCOc1ccc(CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)cc1OC ZINC000478832411 847300973 /nfs/dbraw/zinc/30/09/73/847300973.db2.gz OIHGDZZIIKSQLV-UHFFFAOYSA-N 0 1 398.419 3.589 20 5 GHBDMN Cc1nc(NS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)ccc1[N+](=O)[O-] ZINC000183889693 847493989 /nfs/dbraw/zinc/49/39/89/847493989.db2.gz DMGMSEHBDJIUSX-UHFFFAOYSA-N 0 1 376.221 3.547 20 5 GHBDMN C[C@@H]1C[C@]1(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000503364057 847642250 /nfs/dbraw/zinc/64/22/50/847642250.db2.gz CMNUELOENTXZLI-FZKQIMNGSA-N 0 1 394.880 3.547 20 5 GHBDMN CCn1nc(C)c([N+](=O)[O-])c1NC[C@H](c1ccc(OC)cc1)N1CCCCC1 ZINC000479852462 847906229 /nfs/dbraw/zinc/90/62/29/847906229.db2.gz PYXDJIHEIAEQSH-GOSISDBHSA-N 0 1 387.484 3.767 20 5 GHBDMN COc1ccccc1[C@H](C)NC(=O)[C@H](C)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178680336 848477016 /nfs/dbraw/zinc/47/70/16/848477016.db2.gz MLCBZDSFGYRKFW-PMPSAXMXSA-N 0 1 385.464 3.828 20 5 GHBDMN O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000132176372 861936997 /nfs/dbraw/zinc/93/69/97/861936997.db2.gz PPGGQLMSDZUWQP-MRXNPFEDSA-N 0 1 378.392 3.749 20 5 GHBDMN O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000132176372 861937007 /nfs/dbraw/zinc/93/70/07/861937007.db2.gz PPGGQLMSDZUWQP-MRXNPFEDSA-N 0 1 378.392 3.749 20 5 GHBDMN O=[N+]([O-])c1ccc2c(c1)[C@H](NCc1ccnc(OC3CCOCC3)c1)CCC2 ZINC000278150349 849396879 /nfs/dbraw/zinc/39/68/79/849396879.db2.gz ABZGEINTJHEGDK-HXUWFJFHSA-N 0 1 383.448 3.715 20 5 GHBDMN CC[C@H](C)c1nc([C@H](C)Nc2ncc([N+](=O)[O-])c(C)c2Br)n[nH]1 ZINC000486791702 850099080 /nfs/dbraw/zinc/09/90/80/850099080.db2.gz PBTOLUUQPRJLGT-CBAPKCEASA-N 0 1 383.250 3.865 20 5 GHBDMN CC[C@@H](C)c1nc([C@H](C)Nc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)n[nH]1 ZINC000486796758 850106072 /nfs/dbraw/zinc/10/60/72/850106072.db2.gz LKDZDOWZUHNEQH-KGLIPLIRSA-N 0 1 396.451 3.795 20 5 GHBDMN CC[C@@H](C)c1nc([C@@H](C)Nc2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)n[nH]1 ZINC000486797511 850107326 /nfs/dbraw/zinc/10/73/26/850107326.db2.gz MJXDXBNJILNMHJ-DGCLKSJQSA-N 0 1 381.440 3.587 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000504523620 850119291 /nfs/dbraw/zinc/11/92/91/850119291.db2.gz GDCBIFBXZVLFHG-KRWDZBQOSA-N 0 1 389.402 3.999 20 5 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C[C@@H]1CN(Cc2ccccc2CNc2ncc(Cl)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000301750793 857552029 /nfs/dbraw/zinc/55/20/29/857552029.db2.gz UNMNBAFYLLJADV-ZIAGYGMSSA-N 0 1 390.871 3.865 20 5 GHBDMN COc1ccc(-c2n[nH]c(Sc3c(F)cc([N+](=O)[O-])cc3F)n2)c(OC)c1 ZINC000301776576 857671473 /nfs/dbraw/zinc/67/14/73/857671473.db2.gz HURGKRJTTBGJKF-UHFFFAOYSA-N 0 1 394.359 3.827 20 5 GHBDMN O=C(Nc1ccc2nc(-c3cc(F)ccc3F)[nH]c2c1)c1cc([N+](=O)[O-])c[nH]1 ZINC000486429278 857728224 /nfs/dbraw/zinc/72/82/24/857728224.db2.gz XERCOOFKRIMYAD-UHFFFAOYSA-N 0 1 383.314 3.997 20 5 GHBDMN Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000428253521 857899697 /nfs/dbraw/zinc/89/96/97/857899697.db2.gz CFPVZBSQGGIJOP-UHFFFAOYSA-N 0 1 378.797 3.668 20 5 GHBDMN COc1ccc(-c2n[nH]c(SCCc3ccc([N+](=O)[O-])cc3)n2)c(OC)c1 ZINC000066000049 857915931 /nfs/dbraw/zinc/91/59/31/857915931.db2.gz GVXACOWKWCGXSO-UHFFFAOYSA-N 0 1 386.433 3.732 20 5 GHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000027382623 857944547 /nfs/dbraw/zinc/94/45/47/857944547.db2.gz KMXMUBCMBMIFSA-GFCCVEGCSA-N 0 1 391.387 3.632 20 5 GHBDMN COc1cc(CNCc2cccc(Br)c2C)c([N+](=O)[O-])cc1O ZINC000574532381 858048738 /nfs/dbraw/zinc/04/87/38/858048738.db2.gz ZOOJDUZVVFUVLD-UHFFFAOYSA-N 0 1 381.226 3.670 20 5 GHBDMN C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNc3nccc(C(=O)[O-])c3[N+](=O)[O-])cc2)C1 ZINC000574641585 858128641 /nfs/dbraw/zinc/12/86/41/858128641.db2.gz WIKLQQVCBQGUQS-GASCZTMLSA-N 0 1 398.463 3.778 20 5 GHBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@H]21 ZINC000594733684 858268085 /nfs/dbraw/zinc/26/80/85/858268085.db2.gz BMHLKHGBMHDBBT-OKZBNKHCSA-N 0 1 376.453 3.847 20 5 GHBDMN CC(C)[C@H](CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000574992293 858486604 /nfs/dbraw/zinc/48/66/04/858486604.db2.gz CUHOESQFMDICQL-NRFANRHFSA-N 0 1 397.475 3.717 20 5 GHBDMN COc1ccc(CN2CCC(Cc3nc4ccccc4[nH]3)CC2)cc1[N+](=O)[O-] ZINC000595551203 858564073 /nfs/dbraw/zinc/56/40/73/858564073.db2.gz GOVZWSNQDDUWDC-UHFFFAOYSA-N 0 1 380.448 3.934 20 5 GHBDMN COc1cc(CN2CCC(Cc3nc4ccccc4[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000595551971 858564124 /nfs/dbraw/zinc/56/41/24/858564124.db2.gz MMKBPWRWSHPZAD-UHFFFAOYSA-N 0 1 380.448 3.934 20 5 GHBDMN COC(=O)c1cnc([C@@H]2CCCN([C@@H](C)c3ccccc3[N+](=O)[O-])C2)s1 ZINC000595921083 858735044 /nfs/dbraw/zinc/73/50/44/858735044.db2.gz SSDRALNVKKNXFX-QWHCGFSZSA-N 0 1 375.450 3.779 20 5 GHBDMN CC[C@@](C)(O)CN(CC(=O)Nc1c(C)cccc1[N+](=O)[O-])Cc1ccccc1 ZINC000439258937 858869900 /nfs/dbraw/zinc/86/99/00/858869900.db2.gz JDZADSSKSIKMTR-OAQYLSRUSA-N 0 1 385.464 3.505 20 5 GHBDMN C[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(F)c1 ZINC000543597749 858920024 /nfs/dbraw/zinc/92/00/24/858920024.db2.gz SSJWOUISHYBUNI-LLVKDONJSA-N 0 1 386.832 3.512 20 5 GHBDMN COc1ccc(C[C@H](C)N2CCC[C@H](NC(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC001170327206 881363955 /nfs/dbraw/zinc/36/39/55/881363955.db2.gz FRQHJARBHCHYFY-HOCLYGCPSA-N 0 1 393.484 3.524 20 5 GHBDMN CC(=O)c1c(C)cc(C)c(CS(=O)(=O)Cc2cc(O)ccc2[N+](=O)[O-])c1C ZINC000593203493 858951246 /nfs/dbraw/zinc/95/12/46/858951246.db2.gz FEVSCHPLVOAYIJ-UHFFFAOYSA-N 0 1 391.445 3.543 20 5 GHBDMN CCCOc1cc(NC(=O)N(C)Cc2cnc[nH]2)c([N+](=O)[O-])cc1OCCC ZINC000596663150 858979242 /nfs/dbraw/zinc/97/92/42/858979242.db2.gz ZNLNPBPNGJUEBF-UHFFFAOYSA-N 0 1 391.428 3.559 20 5 GHBDMN COc1ccc(C[C@H](C)N2CCN(C3(c4ccccc4)CC3)CC2)c([N+](=O)[O-])c1 ZINC001170354898 881392450 /nfs/dbraw/zinc/39/24/50/881392450.db2.gz RPICRBQOQFTLNH-SFHVURJKSA-N 0 1 395.503 3.841 20 5 GHBDMN CN(C)[C@@H](CNC(=O)c1c(F)cccc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000601455385 859272598 /nfs/dbraw/zinc/27/25/98/859272598.db2.gz CUFVVDFESSXKAS-HNNXBMFYSA-N 0 1 399.344 3.785 20 5 GHBDMN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(C(F)(F)F)nc2C)c1C ZINC000509392791 859293317 /nfs/dbraw/zinc/29/33/17/859293317.db2.gz STJUOHWVCUIGAP-UHFFFAOYSA-N 0 1 389.355 3.735 20 5 GHBDMN O=[N+]([O-])c1cc(CN2CC[C@@H](Cn3ccnn3)C2)ccc1Oc1ccc(F)cc1 ZINC000597173098 859335262 /nfs/dbraw/zinc/33/52/62/859335262.db2.gz DWQNLWCCFPCZTN-MRXNPFEDSA-N 0 1 397.410 3.640 20 5 GHBDMN Cc1coc(-c2ccc(C)c(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3C)c2)n1 ZINC000161063811 859534950 /nfs/dbraw/zinc/53/49/50/859534950.db2.gz NNVCXJDVGDHOLL-UHFFFAOYSA-N 0 1 387.417 3.976 20 5 GHBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC(c2cccnc2)CC1 ZINC000611259001 859669274 /nfs/dbraw/zinc/66/92/74/859669274.db2.gz SBOKPPQHPQYEFN-AWEZNQCLSA-N 0 1 379.420 3.980 20 5 GHBDMN O=C1C[C@H](NCc2ccc([N+](=O)[O-])cc2)CN1Cc1ccccc1C(F)(F)F ZINC000466476246 859676929 /nfs/dbraw/zinc/67/69/29/859676929.db2.gz YBGPNLPGZBHMSO-HNNXBMFYSA-N 0 1 393.365 3.504 20 5 GHBDMN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H]1COc2c1cccc2Cl ZINC000611336795 859712983 /nfs/dbraw/zinc/71/29/83/859712983.db2.gz KGMDOUSKCMAZTP-BDJLRTHQSA-N 0 1 375.812 3.689 20 5 GHBDMN COC(=O)[C@H](C)CN(Cc1ccccc1)Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000765005441 859732584 /nfs/dbraw/zinc/73/25/84/859732584.db2.gz CPEIYXRAWFIDEU-OAHLLOKOSA-N 0 1 396.447 3.522 20 5 GHBDMN O=C(C[C@@H]1CCc2ccccc2C1)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000483981430 859741465 /nfs/dbraw/zinc/74/14/65/859741465.db2.gz TZODQZXSOCIGFB-CYBMUJFWSA-N 0 1 377.404 3.514 20 5 GHBDMN COc1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)cc(OC)c1C(C)C ZINC000484220016 859893472 /nfs/dbraw/zinc/89/34/72/859893472.db2.gz MGUUAVPVURJHQA-UHFFFAOYSA-N 0 1 394.449 3.845 20 5 GHBDMN CC(C)n1c2ccccc2nc1[C@H](C)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000118706841 859904477 /nfs/dbraw/zinc/90/44/77/859904477.db2.gz STELMGJAZSUKGA-LBPRGKRZSA-N 0 1 392.419 3.893 20 5 GHBDMN Cc1ccc([C@@H](C)NCc2cccc(C(=O)NC[C@H]3CCCO3)c2)cc1[N+](=O)[O-] ZINC000154225673 860025706 /nfs/dbraw/zinc/02/57/06/860025706.db2.gz NQDOZBXZHZLIGY-OXQOHEQNSA-N 0 1 397.475 3.663 20 5 GHBDMN O=c1ccc2c([nH]1)CCC[C@H]2NCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602505484 860080421 /nfs/dbraw/zinc/08/04/21/860080421.db2.gz DLVOUCDWTMBJGQ-LLVKDONJSA-N 0 1 384.255 3.687 20 5 GHBDMN O=C(Nc1cc(F)cc(Cl)c1O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000474432333 860082198 /nfs/dbraw/zinc/08/21/98/860082198.db2.gz HJISQABSCMRXHA-UHFFFAOYSA-N 0 1 376.731 3.531 20 5 GHBDMN COCCN1CCC[C@@H](Nc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000729987188 860485470 /nfs/dbraw/zinc/48/54/70/860485470.db2.gz FXCVAQOADLQQIM-SNVBAGLBSA-N 0 1 381.782 3.790 20 5 GHBDMN Cc1ccc(NC(=O)[C@H](c2ccccc2)N(C)CC2CCOCC2)c([N+](=O)[O-])c1 ZINC000156103195 860682640 /nfs/dbraw/zinc/68/26/40/860682640.db2.gz JPSDBMYLAHWBJJ-NRFANRHFSA-N 0 1 397.475 3.941 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2nc(CNC[C@@H]3CCCN3CC(F)F)cs2)c1 ZINC000598987242 860702394 /nfs/dbraw/zinc/70/23/94/860702394.db2.gz IKXKVRZTBQWFKU-HNNXBMFYSA-N 0 1 382.436 3.537 20 5 GHBDMN O=C1[C@H](NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CCN1C1CCC1 ZINC000599019543 860742434 /nfs/dbraw/zinc/74/24/34/860742434.db2.gz GRGTXTIESGVRDW-GOSISDBHSA-N 0 1 399.422 3.769 20 5 GHBDMN COc1ccccc1[C@H](CNc1ccc([N+](=O)[O-])cc1OC(F)F)N(C)C ZINC000509066609 860779242 /nfs/dbraw/zinc/77/92/42/860779242.db2.gz JGGUVUNXKZBMLC-HNNXBMFYSA-N 0 1 381.379 3.920 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccccc1NCC(F)(F)F ZINC000058494369 881603967 /nfs/dbraw/zinc/60/39/67/881603967.db2.gz RMVBAQQMFWXATJ-UHFFFAOYSA-N 0 1 389.355 3.678 20 5 GHBDMN CNC(=O)c1ccc(N2CCC[C@@H](c3nc4ccc(C)cc4[nH]3)C2)c([N+](=O)[O-])c1 ZINC000302036490 861180307 /nfs/dbraw/zinc/18/03/07/861180307.db2.gz FSRLUISRNVOZRS-OAHLLOKOSA-N 0 1 393.447 3.523 20 5 GHBDMN CCN1CCCC[C@H]1CNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444005964 863135310 /nfs/dbraw/zinc/13/53/10/863135310.db2.gz ZQTNEVSIXXCSGV-AWEZNQCLSA-N 0 1 399.441 3.564 20 5 GHBDMN Cc1cc(S(=O)(=O)[N-]c2cccc(C[NH+]3CCCCC3)c2)ccc1[N+](=O)[O-] ZINC000444038221 863195828 /nfs/dbraw/zinc/19/58/28/863195828.db2.gz XPHLNTWERVJCEY-UHFFFAOYSA-N 0 1 389.477 3.690 20 5 GHBDMN CCO[C@@H]1C[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)[C@@H]1OC ZINC000482511630 863241177 /nfs/dbraw/zinc/24/11/77/863241177.db2.gz NRDQGFUZHJTMEM-JQHSSLGASA-N 0 1 380.828 3.790 20 5 GHBDMN Cc1c(NC(=O)[C@@H](C)N2CC[C@H](COCc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000444162988 863570646 /nfs/dbraw/zinc/57/06/46/863570646.db2.gz AJRMYWYVNOIYGF-MJGOQNOKSA-N 0 1 397.475 3.769 20 5 GHBDMN CC[C@H](Cc1ccc(C)cc1)N(C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000444234471 863716445 /nfs/dbraw/zinc/71/64/45/863716445.db2.gz DMPXRDPNCNNZMG-MRXNPFEDSA-N 0 1 399.447 3.524 20 5 GHBDMN O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](Cc3ccc(OCC(F)(F)F)nn3)C2)cc1 ZINC000594004952 863716510 /nfs/dbraw/zinc/71/65/10/863716510.db2.gz FFIYDECUHVDWHX-AWEZNQCLSA-N 0 1 396.369 3.706 20 5 GHBDMN O=[N+]([O-])c1ccc([C@H]2CCCN(Cc3ccc(OCC(F)(F)F)nn3)C2)cc1 ZINC000594004952 863716516 /nfs/dbraw/zinc/71/65/16/863716516.db2.gz FFIYDECUHVDWHX-AWEZNQCLSA-N 0 1 396.369 3.706 20 5 GHBDMN COc1ccccc1C[C@@H]1CCCN1Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000172898800 864096026 /nfs/dbraw/zinc/09/60/26/864096026.db2.gz YRKCAFASKZLKBX-SFHVURJKSA-N 0 1 393.447 3.527 20 5 GHBDMN COC(=O)COc1ccc(C[N@H+]2CC[C@H](c3cc(C)cc(C)c3)C2)cc1[N+](=O)[O-] ZINC000475091976 864143115 /nfs/dbraw/zinc/14/31/15/864143115.db2.gz KWEQAGUGEQDRHT-SFHVURJKSA-N 0 1 398.459 3.753 20 5 GHBDMN Cc1ccc([N+](=O)[O-])c(C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)c1C ZINC000897157955 864675526 /nfs/dbraw/zinc/67/55/26/864675526.db2.gz SBUXAOVDXSHQRN-MRXNPFEDSA-N 0 1 382.464 3.562 20 5 GHBDMN Cc1ccc([C@@H](CN2CCOCC2)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000480458777 864691258 /nfs/dbraw/zinc/69/12/58/864691258.db2.gz FQSWZCVNGWTUGQ-GHTZIAJQSA-N 0 1 383.492 3.936 20 5 GHBDMN C[C@H](NCCCOc1ccc([N+](=O)[O-])cc1)c1nc(-c2cccc(F)c2)no1 ZINC000185074359 865148952 /nfs/dbraw/zinc/14/89/52/865148952.db2.gz JMHKVWGXFMJVTO-ZDUSSCGKSA-N 0 1 386.383 3.904 20 5 GHBDMN COc1cccc(CN2CCC(Nc3ncc([N+](=O)[O-])cc3Cl)CC2)c1 ZINC000736287249 865178389 /nfs/dbraw/zinc/17/83/89/865178389.db2.gz YPBYFMBEZVGDCN-UHFFFAOYSA-N 0 1 376.844 3.728 20 5 GHBDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000487472176 865272475 /nfs/dbraw/zinc/27/24/75/865272475.db2.gz VZZAWUAHJRKJFO-UONOGXRCSA-N 0 1 388.472 3.610 20 5 GHBDMN C[C@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1cccc(C(F)(F)F)c1 ZINC000121335527 865754139 /nfs/dbraw/zinc/75/41/39/865754139.db2.gz WVPGGFBMKILQGM-LBPRGKRZSA-N 0 1 381.354 3.927 20 5 GHBDMN Cc1cc([C@@](C)(O)CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)c(C)o1 ZINC000174441163 865821220 /nfs/dbraw/zinc/82/12/20/865821220.db2.gz XSOFWXKAZXHLQJ-IBGZPJMESA-N 0 1 387.461 3.925 20 5 GHBDMN O=[N+]([O-])c1ccc(Cl)cc1CNCCNc1ccc(-c2ccccc2)nn1 ZINC000740004239 865824234 /nfs/dbraw/zinc/82/42/34/865824234.db2.gz LGBQOQIEGUFXMG-UHFFFAOYSA-N 0 1 383.839 3.907 20 5 GHBDMN C[C@@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)N1Cc2ccccc2C1 ZINC000475505341 866106209 /nfs/dbraw/zinc/10/62/09/866106209.db2.gz UDBMWLRUQDASEX-OAHLLOKOSA-N 0 1 391.427 3.875 20 5 GHBDMN COc1cc(CNc2ccc(CN(C)C)c(Cl)c2)c([N+](=O)[O-])cc1OC ZINC000475548072 866236461 /nfs/dbraw/zinc/23/64/61/866236461.db2.gz AICNXFJISJZJJU-UHFFFAOYSA-N 0 1 379.844 3.939 20 5 GHBDMN COc1cc(CN2CCC[C@@](C)(OC)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000475577939 866390093 /nfs/dbraw/zinc/39/00/93/866390093.db2.gz JSDMTIXDSTVNQU-GOSISDBHSA-N 0 1 388.411 3.638 20 5 GHBDMN COC(=O)COc1ccc(CN2CCC[C@H]2c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000475574541 866394983 /nfs/dbraw/zinc/39/49/83/866394983.db2.gz OPTMAPXEKWUJBY-SFHVURJKSA-N 0 1 384.432 3.792 20 5 GHBDMN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCN(Cc3ccccc3)C[C@@H](C)C2)c1 ZINC000456316400 866418787 /nfs/dbraw/zinc/41/87/87/866418787.db2.gz ACQMQHIDRGQPKW-MRXNPFEDSA-N 0 1 399.516 3.911 20 5 GHBDMN C[C@H](N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000478975562 866945596 /nfs/dbraw/zinc/94/55/96/866945596.db2.gz JRDXXBRSHCFDDM-APPDUMDISA-N 0 1 377.803 3.843 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N2CCC(Cc3cc(F)cc(F)c3)CC2)c1[N+](=O)[O-] ZINC000456724782 867066821 /nfs/dbraw/zinc/06/68/21/867066821.db2.gz PCTDYNIAVBGGGM-UHFFFAOYSA-N 0 1 392.406 3.814 20 5 GHBDMN CCOc1cc(N2CCN(Cc3cncc4ccccc43)CC2)ccc1[N+](=O)[O-] ZINC000793301497 882081848 /nfs/dbraw/zinc/08/18/48/882081848.db2.gz JEDMFTRCCBHWNY-UHFFFAOYSA-N 0 1 392.459 3.864 20 5 GHBDMN Cc1ccc2nc(NC(=O)c3sc(Br)cc3[N+](=O)[O-])[nH]c2c1 ZINC000553508149 867558703 /nfs/dbraw/zinc/55/87/03/867558703.db2.gz SNLWTZLUOHJLDU-UHFFFAOYSA-N 0 1 381.211 3.856 20 5 GHBDMN CN(C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)C1CCN(CCC(F)(F)F)CC1 ZINC000457091554 867648825 /nfs/dbraw/zinc/64/88/25/867648825.db2.gz WIZRPPYQZLOIIQ-UHFFFAOYSA-N 0 1 398.385 3.565 20 5 GHBDMN Cc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)cc2s1 ZINC000793350942 882146717 /nfs/dbraw/zinc/14/67/17/882146717.db2.gz TVLAJJLTMUJQRM-UHFFFAOYSA-N 0 1 383.838 3.967 20 5 GHBDMN CCOc1ccc([C@H](C)N[C@H](C)C(=O)N2Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC000479554203 868042926 /nfs/dbraw/zinc/04/29/26/868042926.db2.gz LZXXBOANIWZXGR-LSDHHAIUSA-N 0 1 383.448 3.575 20 5 GHBDMN CC(C)CN1Cc2cccc(NC(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)c2C1 ZINC000535078498 868121764 /nfs/dbraw/zinc/12/17/64/868121764.db2.gz LGLMHHPWRUTCFV-UHFFFAOYSA-N 0 1 383.404 3.547 20 5 GHBDMN O=C(NCc1ccccc1)[C@H](Cc1ccccc1)NCc1cccc([N+](=O)[O-])c1 ZINC000524115047 868557028 /nfs/dbraw/zinc/55/70/28/868557028.db2.gz YPUOIRVIWQXSAL-QFIPXVFZSA-N 0 1 389.455 3.612 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1N1CCCCC1 ZINC000016130937 868699664 /nfs/dbraw/zinc/69/96/64/868699664.db2.gz ALYPKSXQDJHZEB-UHFFFAOYSA-N 0 1 375.450 3.694 20 5 GHBDMN COc1cc(Cc2noc([C@H](C)N3[C@H](C)CC[C@@H]3C)n2)c([N+](=O)[O-])c(OC)c1 ZINC000445824525 869036736 /nfs/dbraw/zinc/03/67/36/869036736.db2.gz MYBAPPRWTORPOM-XQQFMLRXSA-N 0 1 390.440 3.520 20 5 GHBDMN COc1cc(Cc2noc([C@H](C)N3[C@H](C)CC[C@H]3C)n2)c([N+](=O)[O-])c(OC)c1 ZINC000445824524 869036929 /nfs/dbraw/zinc/03/69/29/869036929.db2.gz MYBAPPRWTORPOM-UPJWGTAASA-N 0 1 390.440 3.520 20 5 GHBDMN CCC[C@H]1CN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000539427818 869114485 /nfs/dbraw/zinc/11/44/85/869114485.db2.gz DORQVPMJSGYOHB-KRWDZBQOSA-N 0 1 399.495 3.568 20 5 GHBDMN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1n[nH]c(CC)n1 ZINC000539706418 869632091 /nfs/dbraw/zinc/63/20/91/869632091.db2.gz NQTWDAGYAWZSHW-NSHDSACASA-N 0 1 377.470 3.659 20 5 GHBDMN O=C(CN[C@H]1CCCc2ccc([N+](=O)[O-])cc21)Nc1ccc(F)c(F)c1F ZINC000192602697 882333955 /nfs/dbraw/zinc/33/39/55/882333955.db2.gz BKGVRNKQJVJNKN-AWEZNQCLSA-N 0 1 379.338 3.618 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cccc(Br)c1C ZINC000539855936 869904798 /nfs/dbraw/zinc/90/47/98/869904798.db2.gz TUWUTKNESFGYGB-UHFFFAOYSA-N 0 1 385.239 3.775 20 5 GHBDMN C[C@@H]1C[C@@H]1N1C[C@H](NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1=O ZINC000462745284 870012557 /nfs/dbraw/zinc/01/25/57/870012557.db2.gz KBSKGHSIWPIQSY-QBIMZIAESA-N 0 1 399.422 3.625 20 5 GHBDMN CC(C)(NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC000775528762 870407471 /nfs/dbraw/zinc/40/74/71/870407471.db2.gz KHRCIDRUFZGQMZ-UHFFFAOYSA-N 0 1 383.782 3.990 20 5 GHBDMN Cc1cccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C)c2)c1Br ZINC000538753882 870575131 /nfs/dbraw/zinc/57/51/31/870575131.db2.gz MSYCTOVNVOTCIT-UHFFFAOYSA-N 0 1 385.239 3.775 20 5 GHBDMN O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)o1 ZINC000446973743 870833812 /nfs/dbraw/zinc/83/38/12/870833812.db2.gz FLEUNJDNACHHPT-PXAZEXFGSA-N 0 1 384.354 3.990 20 5 GHBDMN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCC[C@@H]([C@H](O)C(F)(F)F)C2)o1 ZINC000446973743 870833814 /nfs/dbraw/zinc/83/38/14/870833814.db2.gz FLEUNJDNACHHPT-PXAZEXFGSA-N 0 1 384.354 3.990 20 5 GHBDMN CC(C)(C)OC(=O)N1CCN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@H]1c1ccccc1 ZINC001169038383 871116766 /nfs/dbraw/zinc/11/67/66/871116766.db2.gz YJVQAKITZFHCRB-QRQLOZEOSA-N 0 1 389.496 3.726 20 5 GHBDMN COc1cccc(C(=O)Nc2ccc3nc(-c4ccco4)[nH]c3c2)c1[N+](=O)[O-] ZINC000195438548 882480255 /nfs/dbraw/zinc/48/02/55/882480255.db2.gz JHZWSFHQLLAJBL-UHFFFAOYSA-N 0 1 378.344 3.992 20 5 GHBDMN O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCN(c3ccc(F)c(Cl)c3Cl)CC2)C1 ZINC001169057739 871144551 /nfs/dbraw/zinc/14/45/51/871144551.db2.gz XOQWSAOTEIWAHB-VXGBXAGGSA-N 0 1 376.259 3.700 20 5 GHBDMN C[C@H](NCC(=O)NCC1(c2ccccc2)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000540378506 871171931 /nfs/dbraw/zinc/17/19/31/871171931.db2.gz CSEZTNSXCXWQLN-KRWDZBQOSA-N 0 1 381.476 3.874 20 5 GHBDMN C[C@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1Cl ZINC000447317829 871370788 /nfs/dbraw/zinc/37/07/88/871370788.db2.gz HAPUKVCMQFCQTJ-AAEUAGOBSA-N 0 1 385.247 3.992 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@H](C)c1cccc(F)c1F ZINC000181952953 871674956 /nfs/dbraw/zinc/67/49/56/871674956.db2.gz RSXWMKSXFFPFAQ-LLVKDONJSA-N 0 1 379.363 3.561 20 5 GHBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000182028655 871756085 /nfs/dbraw/zinc/75/60/85/871756085.db2.gz CIWQSLZQSDNLDQ-HNNXBMFYSA-N 0 1 381.436 3.814 20 5 GHBDMN COc1ccccc1[C@@H](CC(C)C)NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000539379435 871860727 /nfs/dbraw/zinc/86/07/27/871860727.db2.gz BFMSBEOXZOJDHM-LJQANCHMSA-N 0 1 397.475 3.870 20 5 GHBDMN Cc1ccc([C@@H](C)NCC(=O)NCCCSc2ccccc2)cc1[N+](=O)[O-] ZINC000539380350 871863647 /nfs/dbraw/zinc/86/36/47/871863647.db2.gz KQMKODZUKSLSCD-MRXNPFEDSA-N 0 1 387.505 3.852 20 5 GHBDMN C[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2c1 ZINC000182176076 871984752 /nfs/dbraw/zinc/98/47/52/871984752.db2.gz DBOMNRKGHBELTF-HNNXBMFYSA-N 0 1 384.457 3.873 20 5 GHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@@H](c2ccc(Cl)cc2)C2CC2)cc1 ZINC000182178318 871986804 /nfs/dbraw/zinc/98/68/04/871986804.db2.gz NOFCEMZFXXWSFB-GOSISDBHSA-N 0 1 394.880 3.763 20 5 GHBDMN CSc1ccc(C(=O)Nc2cccc3c2OCC[C@H]3N(C)C)cc1[N+](=O)[O-] ZINC000447730052 872172722 /nfs/dbraw/zinc/17/27/22/872172722.db2.gz PDIIGEPIXQMECO-OAHLLOKOSA-N 0 1 387.461 3.954 20 5 GHBDMN COc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)ccc1C(F)(F)F ZINC000447783399 872292758 /nfs/dbraw/zinc/29/27/58/872292758.db2.gz PWEJODHKETYQEH-UHFFFAOYSA-N 0 1 390.339 3.731 20 5 GHBDMN CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(F)cc([N+](=O)[O-])c2)cc1 ZINC000526997637 872450708 /nfs/dbraw/zinc/45/07/08/872450708.db2.gz NWELCVWAFOMSAL-UHFFFAOYSA-N 0 1 395.412 3.519 20 5 GHBDMN C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](Oc2cncc(Br)c2)C1 ZINC001195575163 872479895 /nfs/dbraw/zinc/47/98/95/872479895.db2.gz ALLZAEOINQRZJA-JSGCOSHPSA-N 0 1 392.253 3.967 20 5 GHBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@H](Oc2cncc(Br)c2)C1 ZINC001195575163 872479904 /nfs/dbraw/zinc/47/99/04/872479904.db2.gz ALLZAEOINQRZJA-JSGCOSHPSA-N 0 1 392.253 3.967 20 5 GHBDMN O=C(NCCN1CC=CCC1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000619450820 872668481 /nfs/dbraw/zinc/66/84/81/872668481.db2.gz ISKUPHOLONSQEP-UHFFFAOYSA-N 0 1 375.494 3.621 20 5 GHBDMN COC(=O)[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)[C@H]2CCCC[C@H]12 ZINC001195902990 872744885 /nfs/dbraw/zinc/74/48/85/872744885.db2.gz QMHXPPINQMYEBI-QRVBRYPASA-N 0 1 390.480 3.936 20 5 GHBDMN O=[N+]([O-])c1cc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2)ccc1Cl ZINC000022957452 873096754 /nfs/dbraw/zinc/09/67/54/873096754.db2.gz KWXDVTYECLAYOI-UHFFFAOYSA-N 0 1 396.730 3.948 20 5 GHBDMN O=C(N[C@@H]1COc2c1ccc(Cl)c2Cl)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000464304174 873590418 /nfs/dbraw/zinc/59/04/18/873590418.db2.gz BHXIDIHSUDYKAJ-GFCCVEGCSA-N 0 1 393.186 3.641 20 5 GHBDMN COc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)c2cccnc12 ZINC000768869114 873632462 /nfs/dbraw/zinc/63/24/62/873632462.db2.gz SVJGPSRTPUSLLL-UHFFFAOYSA-N 0 1 393.808 3.606 20 5 GHBDMN CC(C)(C)OC(=O)N1CC[C@H]2[C@H](CCCN2Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC001197169050 873636420 /nfs/dbraw/zinc/63/64/20/873636420.db2.gz VAUFRBYUMUWGGA-PBHICJAKSA-N 0 1 393.459 3.955 20 5 GHBDMN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)cs1 ZINC000768861036 873663843 /nfs/dbraw/zinc/66/38/43/873663843.db2.gz GEDFLPKJEXEPCA-UHFFFAOYSA-N 0 1 396.446 3.889 20 5 GHBDMN O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc(N3CCCCCC3)c2)cs1 ZINC000768863434 873665047 /nfs/dbraw/zinc/66/50/47/873665047.db2.gz VTLJGPNLDZGDIF-UHFFFAOYSA-N 0 1 381.479 3.838 20 5 GHBDMN COC(=O)c1cnc(CC2CCN(Cc3ccc(C)c([N+](=O)[O-])c3)CC2)s1 ZINC001197404480 873772613 /nfs/dbraw/zinc/77/26/13/873772613.db2.gz SSKNIKNATWZWOL-UHFFFAOYSA-N 0 1 389.477 3.601 20 5 GHBDMN Cc1sc(C(=O)Nc2nc3ccc(Br)cc3[nH]2)cc1[N+](=O)[O-] ZINC000464578990 874110407 /nfs/dbraw/zinc/11/04/07/874110407.db2.gz QSYIODXBLFBFJJ-UHFFFAOYSA-N 0 1 381.211 3.856 20 5 GHBDMN Cc1cc(NS(=O)(=O)c2ccc(C(=O)C(C)(C)C)cc2)ccc1[N+](=O)[O-] ZINC000769672509 874225609 /nfs/dbraw/zinc/22/56/09/874225609.db2.gz LHPPQNIWSCHTFB-UHFFFAOYSA-N 0 1 376.434 3.933 20 5 GHBDMN Cc1ccc([C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)N2CCCC2)o1 ZINC000541833871 874357735 /nfs/dbraw/zinc/35/77/35/874357735.db2.gz RJWUJCBSNIGSKO-MRXNPFEDSA-N 0 1 376.388 3.594 20 5 GHBDMN C[C@@H](NCC(=O)Nc1cccc(Br)c1)c1ccc([N+](=O)[O-])cc1 ZINC000541846884 874371601 /nfs/dbraw/zinc/37/16/01/874371601.db2.gz HDLXLABTCQDXMT-LLVKDONJSA-N 0 1 378.226 3.647 20 5 GHBDMN O=C1[C@@H](N2CC[C@@H](CSc3ccccc3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000464766668 874458820 /nfs/dbraw/zinc/45/88/20/874458820.db2.gz UWVXULBHFXBKOO-UZLBHIALSA-N 0 1 397.500 3.814 20 5 GHBDMN CC(C)(NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1nc(C(F)(F)F)cs1 ZINC000465305314 875480787 /nfs/dbraw/zinc/48/07/87/875480787.db2.gz IIQIHDBZNOOIKN-UHFFFAOYSA-N 0 1 399.354 3.612 20 5 GHBDMN Cn1c(=O)c(CNCc2ccc(-c3ccccc3[N+](=O)[O-])o2)cc2ccccc21 ZINC000491457504 875738939 /nfs/dbraw/zinc/73/89/39/875738939.db2.gz IUUHBEFSXOXKJV-UHFFFAOYSA-N 0 1 389.411 3.997 20 5 GHBDMN Cc1ccc(CN[C@H]2CCCN([C@H](C)c3ccc(F)cc3)C2=O)cc1[N+](=O)[O-] ZINC000549910534 875863639 /nfs/dbraw/zinc/86/36/39/875863639.db2.gz GCUBYZVDYREBBB-BEFAXECRSA-N 0 1 385.439 3.884 20 5 GHBDMN Cc1nc(N2CCN(C3c4ccccc4-c4ccccc43)CC2)ncc1[N+](=O)[O-] ZINC000450401973 876381917 /nfs/dbraw/zinc/38/19/17/876381917.db2.gz JGQBEROPYSDNMI-UHFFFAOYSA-N 0 1 387.443 3.585 20 5 GHBDMN Cc1n[nH]c(C(F)(F)F)c1C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000746583322 876695976 /nfs/dbraw/zinc/69/59/76/876695976.db2.gz OMRCLVQMWQIWNS-UHFFFAOYSA-N 0 1 376.722 3.571 20 5 GHBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCC(=O)Nc1cccc2cccnc21 ZINC000786812991 876968961 /nfs/dbraw/zinc/96/89/61/876968961.db2.gz NKKXAEJBHOPHJM-PTNGSMBKSA-N 0 1 376.416 3.775 20 5 GHBDMN C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000746639078 877175117 /nfs/dbraw/zinc/17/51/17/877175117.db2.gz CQZTVRCQYYVSKX-HNNXBMFYSA-N 0 1 387.867 3.985 20 5 GHBDMN C[C@H](C(=O)N1CCc2c1cccc2[N+](=O)[O-])N1CCC(Cc2ccccc2)CC1 ZINC000609992825 877288862 /nfs/dbraw/zinc/28/88/62/877288862.db2.gz UWNKGRNFNGTRRC-QGZVFWFLSA-N 0 1 393.487 3.827 20 5 GHBDMN CCOc1ccc(NC(=O)CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1OCC ZINC000451097738 877388549 /nfs/dbraw/zinc/38/85/49/877388549.db2.gz FFOUFDNIAUHVEW-AWEZNQCLSA-N 0 1 387.436 3.682 20 5 GHBDMN O=C(CNC1(c2ccc(OC(F)(F)F)cc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000451152646 877467858 /nfs/dbraw/zinc/46/78/58/877467858.db2.gz XZCLFAWKNCLDHT-UHFFFAOYSA-N 0 1 395.337 3.711 20 5 GHBDMN COc1cccc(F)c1[C@H](C)NCCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000179907359 878193300 /nfs/dbraw/zinc/19/33/00/878193300.db2.gz DPLRNLQQQHMMAP-ZDUSSCGKSA-N 0 1 375.400 3.730 20 5 GHBDMN Cc1nn(-c2ccccc2C)c(C)c1CN(C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776580760 878195392 /nfs/dbraw/zinc/19/53/92/878195392.db2.gz ZYKZESLUSCXTIX-QFIPXVFZSA-N 0 1 394.475 3.871 20 5 GHBDMN Cc1c(CN2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)cccc1[N+](=O)[O-] ZINC000537853465 878432322 /nfs/dbraw/zinc/43/23/22/878432322.db2.gz KYZMJYNPWBPRLZ-OAHLLOKOSA-N 0 1 381.354 3.970 20 5 GHBDMN Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CC[C@@H](CCCO)C2)c([N+](=O)[O-])c1 ZINC000452121922 878969014 /nfs/dbraw/zinc/96/90/14/878969014.db2.gz HCLFTSIGDWKWCZ-UTKZUKDTSA-N 0 1 397.475 3.677 20 5 GHBDMN CC(=O)NC1CCC(N(C)Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000542464523 879260411 /nfs/dbraw/zinc/26/04/11/879260411.db2.gz ZGNNCXRMDNFNEK-UHFFFAOYSA-N 0 1 388.493 3.597 20 5 GHBDMN CCN(CCNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CCC(F)(F)F ZINC000493341619 879387020 /nfs/dbraw/zinc/38/70/20/879387020.db2.gz ZBHZYRXFYNXYGC-UHFFFAOYSA-N 0 1 382.770 3.644 20 5 GHBDMN CCOc1ccc(NC(=O)CNC(C)(C)c2ccc(F)c(F)c2)c([N+](=O)[O-])c1 ZINC000180877429 879435731 /nfs/dbraw/zinc/43/57/31/879435731.db2.gz XYUXSEXDALERCA-UHFFFAOYSA-N 0 1 393.390 3.735 20 5 GHBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc2c1CN(C(C)C)C2 ZINC000461415668 879810916 /nfs/dbraw/zinc/81/09/16/879810916.db2.gz CGTRVGDBVAZAIH-UHFFFAOYSA-N 0 1 389.477 3.682 20 5 GHBDMN CC(C)CCSc1ccc(C(=O)N[C@@H]2CCN(C3CC3)C2)cc1[N+](=O)[O-] ZINC000520184731 880075419 /nfs/dbraw/zinc/07/54/19/880075419.db2.gz PWEYOQRTUFAXSR-OAHLLOKOSA-N 0 1 377.510 3.700 20 5 GHBDMN Cc1ccc([C@H](C)NCC(=O)Nc2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000543704204 880175183 /nfs/dbraw/zinc/17/51/83/880175183.db2.gz RRAAJTOMJXJTNN-LBPRGKRZSA-N 0 1 392.253 3.955 20 5 GHBDMN C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000173334367 881099104 /nfs/dbraw/zinc/09/91/04/881099104.db2.gz IMUBDECYYCZKNB-CABCVRRESA-N 0 1 389.477 3.547 20 5 GHBDMN O=C(NC[C@H](c1cccs1)N1CCCC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000609873706 883760227 /nfs/dbraw/zinc/76/02/27/883760227.db2.gz RDBODATUSBQGIY-OAHLLOKOSA-N 0 1 379.869 3.877 20 5 GHBDMN C[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000805787892 884072155 /nfs/dbraw/zinc/07/21/55/884072155.db2.gz AXISOEVTYDYAAR-BHDSKKPTSA-N 0 1 393.793 3.526 20 5 GHBDMN CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCCN(Cc1cccc([N+](=O)[O-])c1)C2 ZINC000805794168 884081862 /nfs/dbraw/zinc/08/18/62/884081862.db2.gz QAZZADLILWYYQQ-FQEVSTJZSA-N 0 1 375.469 3.818 20 5 GHBDMN COc1ccc(C[C@H](C)CN(C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])cc1 ZINC000153257637 884310011 /nfs/dbraw/zinc/31/00/11/884310011.db2.gz TWLPFDPKOLSOLD-HNNXBMFYSA-N 0 1 385.464 3.661 20 5 GHBDMN O=[N+]([O-])c1ccc(OC2CCN(C[C@H](O)c3cccc(Cl)c3)CC2)cc1 ZINC000174802465 884908609 /nfs/dbraw/zinc/90/86/09/884908609.db2.gz TZAWVMVKBXGGGX-IBGZPJMESA-N 0 1 376.840 3.825 20 5 GHBDMN Cc1ccc(CN2CC[C@@H](N[C@@H]3CCCc4ccc([N+](=O)[O-])cc43)C2=O)cc1 ZINC000193354072 885670349 /nfs/dbraw/zinc/67/03/49/885670349.db2.gz PTUJNNFRJKRVDW-NHCUHLMSSA-N 0 1 379.460 3.671 20 5 GHBDMN COc1cccc2c1CCN([C@@H](C)c1nnc(-c3ccc([N+](=O)[O-])cc3)o1)CC2 ZINC000193724359 887304078 /nfs/dbraw/zinc/30/40/78/887304078.db2.gz PULUQGIKPARDGL-AWEZNQCLSA-N 0 1 394.431 3.815 20 5 GHBDMN CC(C)(C)N1CC[C@](F)(C(=O)OCc2cnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000810589275 888668101 /nfs/dbraw/zinc/66/81/01/888668101.db2.gz GESYTOOMGBTHMX-LJQANCHMSA-N 0 1 391.399 3.506 20 5 GHBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC[C@@H]2C[C@H](O)c2cccs2)c1 ZINC000811467338 889627361 /nfs/dbraw/zinc/62/73/61/889627361.db2.gz KJZBGYJANVPJHT-WBVHZDCISA-N 0 1 390.461 3.531 20 5 GHBDMN CCOc1ccc([C@H](O)C2CC[NH+](Cc3cc([O-])ccc3[N+](=O)[O-])CC2)cc1 ZINC000812777431 890954948 /nfs/dbraw/zinc/95/49/48/890954948.db2.gz KSXTXWCYRRRGPU-NRFANRHFSA-N 0 1 386.448 3.645 20 5 GHBDMN CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@@]3(CCOC3)C2)cc1OC ZINC000611667182 892314185 /nfs/dbraw/zinc/31/41/85/892314185.db2.gz DGRUJKHXZDJMCG-FOIQADDNSA-N 0 1 378.469 3.641 20 5 GHBDMN CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@@]3(CCOC3)C2)cc1OC ZINC000611667182 892314204 /nfs/dbraw/zinc/31/42/04/892314204.db2.gz DGRUJKHXZDJMCG-FOIQADDNSA-N 0 1 378.469 3.641 20 5 GHBDMN Cc1c(Cl)cc(S(=O)(=O)Nc2cccc3ncccc32)cc1[N+](=O)[O-] ZINC000216820890 892334360 /nfs/dbraw/zinc/33/43/60/892334360.db2.gz OSQGDUBPMBHAMY-UHFFFAOYSA-N 0 1 377.809 3.906 20 5 GHBDMN CC[C@H](CC(=O)Nc1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-])C(C)(C)C ZINC001134199971 892466899 /nfs/dbraw/zinc/46/68/99/892466899.db2.gz KNUODXVUVGOLRU-OAHLLOKOSA-N 0 1 376.501 3.748 20 5 GHBDMN O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000054148275 893087003 /nfs/dbraw/zinc/08/70/03/893087003.db2.gz CSEQRUSRWRAWPC-UHFFFAOYSA-N 0 1 391.830 3.782 20 5 GHBDMN CCc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)cc1 ZINC000918146332 893227463 /nfs/dbraw/zinc/22/74/63/893227463.db2.gz WJXWGVRMPLWVSH-UHFFFAOYSA-N 0 1 385.239 3.721 20 5 GHBDMN O=C(Cc1n[nH]c2c1CCCC2)OCc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000815233810 893592791 /nfs/dbraw/zinc/59/27/91/893592791.db2.gz CQRPXXJCOJUFSA-UHFFFAOYSA-N 0 1 383.326 3.501 20 5 GHBDMN COc1cc(CN[C@@H](c2ccncc2)C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000934697550 893824058 /nfs/dbraw/zinc/82/40/58/893824058.db2.gz JWZLMWPSJPJNKX-LJQANCHMSA-N 0 1 393.390 3.883 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1CN1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459652492 893987419 /nfs/dbraw/zinc/98/74/19/893987419.db2.gz BYSQQDJDKHPIAQ-INIZCTEOSA-N 0 1 388.386 3.784 20 5 GHBDMN CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc2c1OCC[C@H]2N(C)C ZINC000935719224 894753592 /nfs/dbraw/zinc/75/35/92/894753592.db2.gz ZTBRCMCGXGTWKI-MRXNPFEDSA-N 0 1 387.461 3.954 20 5 GHBDMN O=C(NC[C@@H](c1cccs1)N1CCCC1)c1cccc([N+](=O)[O-])c1Cl ZINC000816815101 895108557 /nfs/dbraw/zinc/10/85/57/895108557.db2.gz MNIVKFWYGVOUMZ-AWEZNQCLSA-N 0 1 379.869 3.877 20 5 GHBDMN C[N@H+]1CCC[C@@H](CNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000565036013 895361333 /nfs/dbraw/zinc/36/13/33/895361333.db2.gz OPZREFQZGNTNNX-IFXJQAMLSA-N 0 1 389.477 3.778 20 5 GHBDMN CSc1cccc(F)c1CN[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000566015866 896049605 /nfs/dbraw/zinc/04/96/05/896049605.db2.gz RMUHXWIROHGSQW-GFCCVEGCSA-N 0 1 377.441 3.963 20 5 GHBDMN COc1ccc(CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[C@H](C)C2CC2)cc1 ZINC000568814910 898126364 /nfs/dbraw/zinc/12/63/64/898126364.db2.gz ZUZTVNSKYWLZCV-CYBMUJFWSA-N 0 1 394.431 3.921 20 5 GHBDMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000110173312 898666189 /nfs/dbraw/zinc/66/61/89/898666189.db2.gz DRGRVMNFJFUZDA-UHFFFAOYSA-N 0 1 388.855 3.561 20 5 GHBDMN C[C@H](Sc1nnc(C(C)(C)C)[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000012255531 898872010 /nfs/dbraw/zinc/87/20/10/898872010.db2.gz OKJRPYDKPANRQL-QMMMGPOBSA-N 0 1 383.861 3.783 20 5 GHBDMN CC(C)(C)OC(=O)CC[C@H]1CCCCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000823243346 898937666 /nfs/dbraw/zinc/93/76/66/898937666.db2.gz JIQGLEHZJONYQI-AEFFLSMTSA-N 0 1 378.469 3.605 20 5 GHBDMN O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[C@@H](C(F)(F)F)[C@H](CO)C2)o1 ZINC000289722332 914313605 /nfs/dbraw/zinc/31/36/05/914313605.db2.gz PJYZCXOGMANYMM-SWLSCSKDSA-N 0 1 384.354 3.848 20 5 GHBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)C[C@@](C)(O)c1ccccc1 ZINC000823598250 899122351 /nfs/dbraw/zinc/12/23/51/899122351.db2.gz GUHYDBZXWRUSRI-JLTOFOAXSA-N 0 1 382.420 3.545 20 5 GHBDMN Cc1c(Br)cccc1CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000332451963 899679369 /nfs/dbraw/zinc/67/93/69/899679369.db2.gz MIPIXJPGSLUTKD-UHFFFAOYSA-N 0 1 379.258 3.699 20 5 GHBDMN CC(C)(C)O[C@@H]1C[C@H](NCc2ccc([N+](=O)[O-])c(Cl)c2)[C@@H]1n1cccn1 ZINC000825118871 899989864 /nfs/dbraw/zinc/98/98/64/899989864.db2.gz YMDPCNRVKJYWIP-UAGQMJEPSA-N 0 1 378.860 3.732 20 5 GHBDMN O=[N+]([O-])c1ccc2oc(CN3CCC[C@@H]3C[C@@H](O)c3ccc(F)cc3)nc2c1 ZINC000134807332 900124576 /nfs/dbraw/zinc/12/45/76/900124576.db2.gz JOBOSUZEOBKGIW-CRAIPNDOSA-N 0 1 385.395 3.963 20 5 GHBDMN O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000045293804 900148547 /nfs/dbraw/zinc/14/85/47/900148547.db2.gz GNUOAVJKASMQFC-IBGZPJMESA-N 0 1 387.867 3.744 20 5 GHBDMN Cc1cc(NCC[N@@H+]2CCc3c(Cl)cccc3C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000573375014 900480713 /nfs/dbraw/zinc/48/07/13/900480713.db2.gz JSYYJKXUIMWESY-UHFFFAOYSA-N 0 1 389.839 3.725 20 5 GHBDMN Cc1cc(NCC[N@H+]2CCc3c(Cl)cccc3C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000573375014 900480720 /nfs/dbraw/zinc/48/07/20/900480720.db2.gz JSYYJKXUIMWESY-UHFFFAOYSA-N 0 1 389.839 3.725 20 5 GHBDMN C[C@@H](C(=O)NC1CCN(Cc2ccc(F)cc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000574137751 900790925 /nfs/dbraw/zinc/79/09/25/900790925.db2.gz ZPQSTWYOZDBOMY-OAHLLOKOSA-N 0 1 385.439 3.618 20 5 GHBDMN Cc1ccnc([C@@H]2CCN([C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)c1 ZINC000576595559 902117141 /nfs/dbraw/zinc/11/71/41/902117141.db2.gz NJUHIPBJRIGNDD-GOEBONIOSA-N 0 1 379.420 3.899 20 5 GHBDMN Cc1ccc(NC(=O)c2ccc(N[C@@H]3CCc4[nH]cnc4C3)c([N+](=O)[O-])c2)cc1 ZINC000577993917 903425136 /nfs/dbraw/zinc/42/51/36/903425136.db2.gz UPINIKMGBZCCTD-MRXNPFEDSA-N 0 1 391.431 3.848 20 5 GHBDMN C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000826584895 903819619 /nfs/dbraw/zinc/81/96/19/903819619.db2.gz JMYTXXQIBNXRNS-HNNXBMFYSA-N 0 1 387.867 3.985 20 5 GHBDMN CNc1ccc(C(=O)N2CCN(Cc3ccccc3)C[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC001148113077 903977580 /nfs/dbraw/zinc/97/75/80/903977580.db2.gz VJCMBXPGJXUUKG-OAQYLSRUSA-N 0 1 396.491 3.619 20 5 GHBDMN CN1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H](Cc2ccccc2)C1 ZINC001171735185 905018111 /nfs/dbraw/zinc/01/81/11/905018111.db2.gz PPMJTNSQDGASTH-OAQYLSRUSA-N 0 1 392.459 3.609 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CCC[C@@H](C(=O)OC(C)(C)C)C2)c1F ZINC001173189686 906269672 /nfs/dbraw/zinc/26/96/72/906269672.db2.gz LTFRTRUBSBIFKC-ZIAGYGMSSA-N 0 1 396.459 3.727 20 5 GHBDMN CCOC[C@@H]1CN([C@H](C)Cc2ccc([N+](=O)[O-])cc2)Cc2cn(CC3CC3)nc21 ZINC001173224758 906306746 /nfs/dbraw/zinc/30/67/46/906306746.db2.gz LARZNOPYYXXTCU-UZLBHIALSA-N 0 1 398.507 3.768 20 5 GHBDMN O=[N+]([O-])c1ccc(NC2CCN(Cc3ccncc3)CC2)cc1OC(F)F ZINC000180984407 906890445 /nfs/dbraw/zinc/89/04/45/906890445.db2.gz CVABVJJRGBBEBW-UHFFFAOYSA-N 0 1 378.379 3.668 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000192032070 907367285 /nfs/dbraw/zinc/36/72/85/907367285.db2.gz LAXPHKYOKICNIU-QFBILLFUSA-N 0 1 389.839 3.615 20 5 GHBDMN CC(C)c1ccc(C(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)cc1[N+](=O)[O-] ZINC000190371433 908476944 /nfs/dbraw/zinc/47/69/44/908476944.db2.gz FHDDDBQXIONJGV-HNNXBMFYSA-N 0 1 383.452 3.734 20 5 GHBDMN CC(C)(C)OC(=O)N1CCC2(CCN(Cc3cc(F)ccc3[N+](=O)[O-])C2)CC1 ZINC000773634874 908497990 /nfs/dbraw/zinc/49/79/90/908497990.db2.gz FQBXLKKEOWLMKD-UHFFFAOYSA-N 0 1 393.459 3.957 20 5 GHBDMN O=[N+]([O-])c1ccc(CN2CCC[C@H]2C[C@@H](O)c2cccs2)c([N+](=O)[O-])c1 ZINC000194061511 908912640 /nfs/dbraw/zinc/91/26/40/908912640.db2.gz ISOHKOLTUPELIF-XJKSGUPXSA-N 0 1 377.422 3.653 20 5 GHBDMN CC(C)Oc1ccc([C@H](C)NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC000195733059 909036511 /nfs/dbraw/zinc/03/65/11/909036511.db2.gz MNWVBJQOTJSMCG-LBPRGKRZSA-N 0 1 382.413 3.561 20 5 GHBDMN Cc1[nH]nc(C(=O)N2CCC[C@H]2c2nc3ccccc3n2C(C)C)c1[N+](=O)[O-] ZINC000267274720 909434977 /nfs/dbraw/zinc/43/49/77/909434977.db2.gz WICPQFAKJJGVQK-HNNXBMFYSA-N 0 1 382.424 3.534 20 5 GHBDMN O=C(NCCNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)OCc1ccccc1 ZINC001179821309 909728732 /nfs/dbraw/zinc/72/87/32/909728732.db2.gz BGYVSVSLFJRHAX-UHFFFAOYSA-N 0 1 395.415 3.871 20 5 GHBDMN C[C@@H](NCc1cc([N+](=O)[O-])ccc1Cl)c1cccc(N2CCOCC2)c1 ZINC000271503392 910932656 /nfs/dbraw/zinc/93/26/56/910932656.db2.gz NPITUHCPTNTJKZ-CQSZACIVSA-N 0 1 375.856 3.936 20 5 GHBDMN O=[N+]([O-])c1nc[nH]c1-c1nc(-c2cc(C(F)(F)F)cc(Cl)c2F)no1 ZINC001212892934 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SVBKQLZLTPYVNN-CABCVRRESA-N 0 1 389.477 3.547 20 5 GHBDMN O=C(CCSc1nc(-c2ccccc2F)n[nH]1)Nc1ccccc1[N+](=O)[O-] ZINC000409847403 925064402 /nfs/dbraw/zinc/06/44/02/925064402.db2.gz DTIYGJNFZSIECT-UHFFFAOYSA-N 0 1 387.396 3.640 20 5 GHBDMN COc1ccc(NC(=O)C2(NCc3ccccc3[N+](=O)[O-])CCCC2)cc1OC ZINC000133073222 926049878 /nfs/dbraw/zinc/04/98/78/926049878.db2.gz BEMWHAMFUWTLGJ-UHFFFAOYSA-N 0 1 399.447 3.653 20 5 GHBDMN CN(C)[C@@H](CNC(=O)c1cccc(Cl)c1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000750081829 927424050 /nfs/dbraw/zinc/42/40/50/927424050.db2.gz VGTFYOZLWQJPNW-HNNXBMFYSA-N 0 1 382.247 3.934 20 5 GHBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000375014057 927814192 /nfs/dbraw/zinc/81/41/92/927814192.db2.gz SHMBYWKBZDZHHD-BZUAXINKSA-N 0 1 386.452 3.844 20 5 GHBDMN CC(C)n1ncc2ccc(NS(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc21 ZINC000751279312 928110846 /nfs/dbraw/zinc/11/08/46/928110846.db2.gz LEIBPTYNXJVZRE-UHFFFAOYSA-N 0 1 394.840 3.980 20 5 GHBDMN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@H]1c1cccc(Cl)c1 ZINC000544070452 928765037 /nfs/dbraw/zinc/76/50/37/928765037.db2.gz ZZHMQGSIHXQDFC-SJORKVTESA-N 0 1 376.840 3.825 20 5 GHBDMN Cc1cc(Cl)c(S(=O)(=O)Nc2ccc(-c3cc[nH]n3)cc2)cc1[N+](=O)[O-] ZINC000753066619 929188103 /nfs/dbraw/zinc/18/81/03/929188103.db2.gz TWETUNBECYJCQN-UHFFFAOYSA-N 0 1 392.824 3.748 20 5 GHBDMN CC[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC)CC[C@H]1NC(=O)OC(C)(C)C ZINC000757107695 929645444 /nfs/dbraw/zinc/64/54/44/929645444.db2.gz VDUDQMZHPOEAEK-WMLDXEAASA-N 0 1 393.484 3.729 20 5 GHBDMN O=C(OC[C@H]1CCCN(Cc2cc(F)ccc2F)C1)c1ccccc1[N+](=O)[O-] ZINC000757892257 929841858 /nfs/dbraw/zinc/84/18/58/929841858.db2.gz SWMSFCVHUXKJNP-AWEZNQCLSA-N 0 1 390.386 3.942 20 5 GHBDMN O=[N+]([O-])c1cc(NS(=O)(=O)c2cccc(Cl)c2)ccc1Br ZINC000757920489 929855059 /nfs/dbraw/zinc/85/50/59/929855059.db2.gz JGOBZQFHBYYYBM-UHFFFAOYSA-N 0 1 391.630 3.812 20 5 GHBDMN CN1CCN(c2ccccc2-c2noc(-c3ccc([N+](=O)[O-])cc3Cl)n2)CC1 ZINC000546417858 930145489 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3.952 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1CN1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000797519290 932317587 /nfs/dbraw/zinc/31/75/87/932317587.db2.gz HAEACIPCDPFIHI-CQSZACIVSA-N 0 1 393.484 3.729 20 5 GHBDMN COc1ccc(CN2CCC[C@@H](CCNC(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000799360235 932970437 /nfs/dbraw/zinc/97/04/37/932970437.db2.gz HCRHUPFLAHATBZ-HNNXBMFYSA-N 0 1 393.484 3.730 20 5 GHBDMN Cc1cc(NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)nn1-c1ccccc1 ZINC001137911381 935864889 /nfs/dbraw/zinc/86/48/89/935864889.db2.gz KQSRITOVMXLXOU-UHFFFAOYSA-N 0 1 388.387 3.731 20 5 GHBDMN CCN(CC)[C@H](CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)c1ccco1 ZINC001625961451 1014592644 /nfs/dbraw/zinc/59/26/44/1014592644.db2.gz PBUNPXPWUKDNPV-GOSISDBHSA-N 0 1 385.464 3.809 20 5 GHBDMN CC[C@](C)(C(=O)[O-])[N@H+](Cc1cc([N+](=O)[O-])ccc1Br)CC1CC1 ZINC001594788176 981833403 /nfs/dbraw/zinc/83/34/03/981833403.db2.gz UESJVJAWGVWERF-MRXNPFEDSA-N 0 1 385.258 3.823 20 5 GHBDMN 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Cc1ccc2nc(=O)[nH]c(OC3CCN(c4ccccc4[N+](=O)[O-])CC3)c2c1 ZINC001227348192 1032384756 /nfs/dbraw/zinc/38/47/56/1032384756.db2.gz WXTJVVVAPDKFTK-UHFFFAOYSA-N 0 1 380.404 3.600 20 5 GHBDMN C[C@H](O)CCCC(=O)Oc1ccc2c(c1)oc1c2c(=O)oc2cc(O)ccc12 ZINC001227516265 1032448880 /nfs/dbraw/zinc/44/88/80/1032448880.db2.gz AYBKFVGTDYEEPO-NSHDSACASA-N 0 1 382.368 3.855 20 5 GHBDMN O=[N+]([O-])c1ccc2[n-]c(O[C@@H]3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)nc2c1 ZINC001227742640 1032539267 /nfs/dbraw/zinc/53/92/67/1032539267.db2.gz CGIUIJGMSSSWAP-XAUMDUMWSA-N 0 1 378.432 3.761 20 5 GHBDMN O=[N+]([O-])c1ccc2[n-]c(O[C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)nc2c1 ZINC001227742640 1032539270 /nfs/dbraw/zinc/53/92/70/1032539270.db2.gz CGIUIJGMSSSWAP-XAUMDUMWSA-N 0 1 378.432 3.761 20 5 GHBDMN CO[C@H](CN1CCN(c2ccc3cccc([N+](=O)[O-])c3n2)CC1)c1ccccc1 ZINC001155717289 1032660465 /nfs/dbraw/zinc/66/04/65/1032660465.db2.gz WMNCTSHYNYMBIT-HXUWFJFHSA-N 0 1 392.459 3.653 20 5 GHBDMN COc1ccc([C@H](CNC(=O)c2c(C)cccc2[N+](=O)[O-])N2CCCCC2)cc1 ZINC000557926888 1017074125 /nfs/dbraw/zinc/07/41/25/1017074125.db2.gz HPABMBZKLVHHHB-FQEVSTJZSA-N 0 1 397.475 3.869 20 5 GHBDMN COc1ccc2c(c1)CCC[C@@H]2N(C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000558062412 1017104008 /nfs/dbraw/zinc/10/40/08/1017104008.db2.gz CWMLXMLBKVSBNR-FQEVSTJZSA-N 0 1 383.448 3.576 20 5 GHBDMN CCOc1ccc2c(c1)c(=N)c1ccc(N)cc1n2C(=O)c1cccc2cncn21 ZINC001155798486 1032712093 /nfs/dbraw/zinc/71/20/93/1032712093.db2.gz IGUPMSKYIFJQHU-UHFFFAOYSA-N 0 1 397.438 3.591 20 5 GHBDMN COc1ccccc1[C@H](Oc1[nH]c(=O)nc2cc([N+](=O)[O-])ccc21)C(F)(F)F ZINC001228241429 1032857509 /nfs/dbraw/zinc/85/75/09/1032857509.db2.gz BBCYXGGXTMTJGA-AWEZNQCLSA-N 0 1 395.293 3.935 20 5 GHBDMN C[C@H](N[C@@H]1CCCc2c(O)cccc21)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000192354075 1020865897 /nfs/dbraw/zinc/86/58/97/1020865897.db2.gz NBYMSBFJNRAHOW-MEDUHNTESA-N 0 1 389.839 3.948 20 5 GHBDMN 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ZINC000755765859 1023368060 /nfs/dbraw/zinc/36/80/60/1023368060.db2.gz XRGBPFVXZGKXLB-SFHVURJKSA-N 0 1 390.447 3.725 20 5 GHBDMN CC(C)c1cc([C@H]2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3N(C)C)C2)n[nH]1 ZINC000831919905 1025016773 /nfs/dbraw/zinc/01/67/73/1025016773.db2.gz SCIWHSXYHJWUHP-AWEZNQCLSA-N 0 1 385.468 3.527 20 5 GHBDMN CC[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)N1CCc2ccccc2C1 ZINC001141569430 1025598765 /nfs/dbraw/zinc/59/87/65/1025598765.db2.gz HYSAGXBKODPPPS-QGZVFWFLSA-N 0 1 387.867 3.815 20 5 GHBDMN COCCN(Cc1ccc(F)c(Cl)c1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000832529703 1025657045 /nfs/dbraw/zinc/65/70/45/1025657045.db2.gz KORFGHMHTZTUJA-SFHVURJKSA-N 0 1 382.819 3.569 20 5 GHBDMN CCCN(C(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl)[C@H]1CCN(C)C1 ZINC001162975453 1025995317 /nfs/dbraw/zinc/99/53/17/1025995317.db2.gz YKJTYEJEAQOQHG-VIFPVBQESA-N 0 1 378.231 3.597 20 5 GHBDMN CN(C)c1nc2ccc(NC(=O)c3cc(Cl)c(F)c([N+](=O)[O-])c3)cc2[nH]1 ZINC001139223266 1026078213 /nfs/dbraw/zinc/07/82/13/1026078213.db2.gz IRPOQDBNLQEUIC-UHFFFAOYSA-N 0 1 377.763 3.582 20 5 GHBDMN Cc1ncc([N+](=O)[O-])n1CCSc1nc(-c2cc(Cl)cc(Cl)c2)n[nH]1 ZINC001165719840 1026806144 /nfs/dbraw/zinc/80/61/44/1026806144.db2.gz KIXLWPCYYJAEPI-UHFFFAOYSA-N 0 1 399.263 3.984 20 5 GHBDMN CN(C)S(=O)(=O)c1cccc(Nc2ccc3cc4ccc(N)cc4nc3c2)c1 ZINC001203278318 1027257832 /nfs/dbraw/zinc/25/78/32/1027257832.db2.gz ASUICLILZRJNIC-UHFFFAOYSA-N 0 1 392.484 3.964 20 5 GHBDMN CC[C@@H]1CN(CC)CCN1C(=O)Nc1cc([N+](=O)[O-])cc(C(F)(F)F)c1C ZINC001209889648 1027264335 /nfs/dbraw/zinc/26/43/35/1027264335.db2.gz VHRQFWYHMVWONS-GFCCVEGCSA-N 0 1 388.390 3.870 20 5 GHBDMN O=[N+]([O-])c1cc(Nc2c(F)cc(F)cc2I)ccc1O ZINC001210397658 1027488832 /nfs/dbraw/zinc/48/88/32/1027488832.db2.gz BDRAVBFXDVKMIV-UHFFFAOYSA-N 0 1 392.099 3.927 20 5 GHBDMN O=[N+]([O-])c1cc(Nc2ccc(I)c(F)c2F)ccc1O ZINC001210398771 1027490223 /nfs/dbraw/zinc/49/02/23/1027490223.db2.gz KZZMZZFLQHYJQK-UHFFFAOYSA-N 0 1 392.099 3.927 20 5 GHBDMN O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)NC2CC(Cl)(Cl)C2)c1Cl ZINC001213881625 1028426900 /nfs/dbraw/zinc/42/69/00/1028426900.db2.gz TZLKVTKIKCZQLC-UHFFFAOYSA-N 0 1 394.063 3.516 20 5 GHBDMN CN1CCN(c2cccnc2Nc2c(Cl)ccc([N+](=O)[O-])c2Cl)CC1 ZINC001215580352 1029292344 /nfs/dbraw/zinc/29/23/44/1029292344.db2.gz GDZBXFBVMPQBAD-UHFFFAOYSA-N 0 1 382.251 3.792 20 5 GHBDMN CN1CCN(c2cccc(-c3noc(-c4cccc(Cl)c4[N+](=O)[O-])n3)c2)CC1 ZINC001215702874 1029357027 /nfs/dbraw/zinc/35/70/27/1029357027.db2.gz HFHMYRHGJIOZCR-UHFFFAOYSA-N 0 1 399.838 3.717 20 5 GHBDMN CN1CCN(c2cccc(-c3noc(-c4cc(Cl)ccc4[N+](=O)[O-])n3)c2)CC1 ZINC001216595937 1029696943 /nfs/dbraw/zinc/69/69/43/1029696943.db2.gz QJYONZZDEGMNSZ-UHFFFAOYSA-N 0 1 399.838 3.717 20 5 GHBDMN COc1cc(C(=O)N2CCN(Cc3ccccc3)[C@@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC001461593552 1069627977 /nfs/dbraw/zinc/62/79/77/1069627977.db2.gz BBLJEWRASQLMGG-HXUWFJFHSA-N 0 1 397.475 3.586 20 5 GHBDMN O=[N+]([O-])c1cccc(Br)c1CN[C@@H]1CCO[C@H](c2ccncc2)C1 ZINC001461617597 1069643312 /nfs/dbraw/zinc/64/33/12/1069643312.db2.gz RBPVZKWWERGIQA-DYVFJYSZSA-N 0 1 392.253 3.762 20 5 GHBDMN Cn1nnc2cc(NC(=O)[C@@H](N)Cc3c4ccccc4cc4ccccc43)ccc21 ZINC001218880221 1031130329 /nfs/dbraw/zinc/13/03/29/1031130329.db2.gz ACRVZDQJYHVYKF-NRFANRHFSA-N 0 1 395.466 3.783 20 5 GHBDMN C[C@@H](c1ccccn1)N1CC[C@@H](Oc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC001225661613 1031527547 /nfs/dbraw/zinc/52/75/47/1031527547.db2.gz MYQCGWLHMCSSPA-GXTWGEPZSA-N 0 1 392.253 3.967 20 5 GHBDMN CCOc1cc(N2CCN(Cc3ccc(OC)cc3C)CC2)ccc1[N+](=O)[O-] ZINC001205628657 1033499127 /nfs/dbraw/zinc/49/91/27/1033499127.db2.gz KSRYIBSWQADEIM-UHFFFAOYSA-N 0 1 385.464 3.633 20 5 GHBDMN COC[C@H]1CCCCN1C(=O)[C@@H](N)Cc1c2ccccc2cc2ccccc21 ZINC001157922499 1033823844 /nfs/dbraw/zinc/82/38/44/1033823844.db2.gz PKELXDSFJWFTSQ-XXBNENTESA-N 0 1 376.500 3.890 20 5 GHBDMN CC(C)(C)OC(=O)N1CC[C@@]2(CC[C@H]2Oc2cc3[nH]ncc3cc2[N+](=O)[O-])C1 ZINC001230596917 1034139554 /nfs/dbraw/zinc/13/95/54/1034139554.db2.gz XAVPKIGWORVRRF-APWZRJJASA-N 0 1 388.424 3.640 20 5 GHBDMN C[C@H]1CC[C@H](Oc2cc3[nH]ncc3cc2[N+](=O)[O-])CN1C(=O)OC(C)(C)C ZINC001230600567 1034140730 /nfs/dbraw/zinc/14/07/30/1034140730.db2.gz HPYGMGVUDVYIRC-AAEUAGOBSA-N 0 1 376.413 3.638 20 5 GHBDMN CNc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC001158881886 1034316712 /nfs/dbraw/zinc/31/67/12/1034316712.db2.gz HPNHAJVICROJBD-SNVBAGLBSA-N 0 1 387.827 3.999 20 5 GHBDMN O=C(c1ccccc1Nc1c(Cl)ccc([N+](=O)[O-])c1Cl)N1CCNCC1 ZINC001159554015 1034661779 /nfs/dbraw/zinc/66/17/79/1034661779.db2.gz ZJYVYNNFLNPUGP-UHFFFAOYSA-N 0 1 395.246 3.691 20 5 GHBDMN COc1cccc(CN2CC[C@H](Nc3nc(Cl)c(C)cc3[N+](=O)[O-])C2)c1 ZINC001161188459 1035172657 /nfs/dbraw/zinc/17/26/57/1035172657.db2.gz YSSFWIBIWNIEAI-AWEZNQCLSA-N 0 1 376.844 3.647 20 5 GHBDMN CN1CCN(c2ccc(-c3noc(/C=C/c4cccc([N+](=O)[O-])c4)n3)cc2)CC1 ZINC001247598223 1038268389 /nfs/dbraw/zinc/26/83/89/1038268389.db2.gz YESPNYHVUMLCKV-BJMVGYQFSA-N 0 1 391.431 3.567 20 5 GHBDMN CSc1ncc(Cl)c(CNC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC001254470554 1040256460 /nfs/dbraw/zinc/25/64/60/1040256460.db2.gz XVABWAYGKJKNHN-UHFFFAOYSA-N 0 1 393.900 3.519 20 5 GHBDMN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC001254551435 1040318863 /nfs/dbraw/zinc/31/88/63/1040318863.db2.gz AVMPAVDASNQCSV-HOTGVXAUSA-N 0 1 377.485 3.857 20 5 GHBDMN C[C@H](Cc1ccccc1[N+](=O)[O-])N1C[C@H](NC(=O)OC(C)(C)C)CC[C@H]1C ZINC001254559204 1040330760 /nfs/dbraw/zinc/33/07/60/1040330760.db2.gz JQLICKRYAXNOOH-BFYDXBDKSA-N 0 1 377.485 3.903 20 5 GHBDMN C[C@H](CCc1ccccc1[N+](=O)[O-])NCc1nc(Cc2ccccc2F)no1 ZINC001462578593 1070386226 /nfs/dbraw/zinc/38/62/26/1070386226.db2.gz LGEFBNXSKBSHEG-CQSZACIVSA-N 0 1 384.411 3.819 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCc2nc(C3CCCCC3)[nH]c2C1 ZINC001297050415 1045435083 /nfs/dbraw/zinc/43/50/83/1045435083.db2.gz HFJFQBDLERETSF-CQSZACIVSA-N 0 1 398.463 3.662 20 5 GHBDMN C[C@@H](C(=O)N1CCC(c2ncc(C(F)(F)F)[nH]2)CC1)c1cccc([N+](=O)[O-])c1 ZINC001304048863 1047572733 /nfs/dbraw/zinc/57/27/33/1047572733.db2.gz OPNGNMWNHCGILX-LLVKDONJSA-N 0 1 396.369 3.846 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(Cc2ccccc2)[C@@H](C(C)C)C1 ZINC001279364300 1047781240 /nfs/dbraw/zinc/78/12/40/1047781240.db2.gz JTIXPVAOUZHZCY-HXUWFJFHSA-N 0 1 397.475 3.586 20 5 GHBDMN COc1ccc(-c2cc(C(=O)Nc3cc(C)cc([N+](=O)[O-])c3)[nH]n2)cc1OC ZINC001305602281 1048175832 /nfs/dbraw/zinc/17/58/32/1048175832.db2.gz WUSATXVJTHPZAI-UHFFFAOYSA-N 0 1 382.376 3.563 20 5 GHBDMN O=[N+]([O-])c1c(N2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)cccc1C(F)(F)F ZINC001307080707 1049060146 /nfs/dbraw/zinc/06/01/46/1049060146.db2.gz CPKVXPQYOIPFSY-NSHDSACASA-N 0 1 381.358 3.993 20 5 GHBDMN O=[N+]([O-])c1c(N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)cccc1C(F)(F)F ZINC001307080707 1049060161 /nfs/dbraw/zinc/06/01/61/1049060161.db2.gz CPKVXPQYOIPFSY-NSHDSACASA-N 0 1 381.358 3.993 20 5 GHBDMN O=[N+]([O-])c1ncccc1CSc1nc(-c2ccccc2Br)n[nH]1 ZINC001307270298 1049171084 /nfs/dbraw/zinc/17/10/84/1049171084.db2.gz WUMNFZNLYZELLO-UHFFFAOYSA-N 0 1 392.238 3.830 20 5 GHBDMN CCO[C@@H]1C[C@H](NCc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C12CCC2 ZINC001307777838 1049585245 /nfs/dbraw/zinc/58/52/45/1049585245.db2.gz DVWRQNJZMMUSJK-LSDHHAIUSA-N 0 1 392.843 3.736 20 5 GHBDMN C[C@@H]1C[C@@H](C)CN(CCN[C@@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)C1 ZINC001307840359 1049626938 /nfs/dbraw/zinc/62/69/38/1049626938.db2.gz BGMVULKLWKGCNJ-HSMVNMDESA-N 0 1 377.382 3.905 20 5 GHBDMN CN(C[C@H]1CCCCN1CCOc1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC001308039627 1049790988 /nfs/dbraw/zinc/79/09/88/1049790988.db2.gz LDXIKMYQIFYJOT-QGZVFWFLSA-N 0 1 393.484 3.695 20 5 GHBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCCCCCc1ccc(F)cc1 ZINC001309419954 1050703742 /nfs/dbraw/zinc/70/37/42/1050703742.db2.gz HLOMIIHCQFMEDT-UHFFFAOYSA-N 0 1 384.404 3.564 20 5 GHBDMN CC(C)OC[C@H](CO)N(C)Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001329851724 1050912526 /nfs/dbraw/zinc/91/25/26/1050912526.db2.gz VNYUFNUSHAWZJU-AWEZNQCLSA-N 0 1 382.844 3.726 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001309810030 1050984004 /nfs/dbraw/zinc/98/40/04/1050984004.db2.gz VKHFBRZSTLMUOP-PTOFAABTSA-N 0 1 379.265 3.759 20 5 GHBDMN C[C@H](NC(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC001335093997 1052032867 /nfs/dbraw/zinc/03/28/67/1052032867.db2.gz WNYNBTOAYVZHSG-BKTGTZMESA-N 0 1 386.427 3.540 20 5 GHBDMN Cc1cc(NC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)ccc1N1CCN(C)CC1 ZINC001354369608 1056569484 /nfs/dbraw/zinc/56/94/84/1056569484.db2.gz RHXOOAWYYNDMKC-INIZCTEOSA-N 0 1 397.479 3.538 20 5 GHBDMN O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)c1oc(C2CC2)nc1C(F)F ZINC001356194147 1057425035 /nfs/dbraw/zinc/42/50/35/1057425035.db2.gz XEUUFZDVSAPADZ-UHFFFAOYSA-N 0 1 395.318 3.811 20 5 GHBDMN COc1cc(C(=O)N2CCCN(Cc3ccc(C)cc3)CC2)cc([N+](=O)[O-])c1C ZINC001326287858 1057448805 /nfs/dbraw/zinc/44/88/05/1057448805.db2.gz NYJAFAQXOQQEDP-UHFFFAOYSA-N 0 1 397.475 3.568 20 5 GHBDMN O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1[O-] ZINC001441344278 1058755801 /nfs/dbraw/zinc/75/58/01/1058755801.db2.gz VJQCWFVIHKQQCU-KRWDZBQOSA-N 0 1 389.839 3.521 20 5 GHBDMN O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1[O-] ZINC001441344279 1058756253 /nfs/dbraw/zinc/75/62/53/1058756253.db2.gz VJQCWFVIHKQQCU-QGZVFWFLSA-N 0 1 389.839 3.521 20 5 GHBDMN O=C(N[C@H](COc1ccccc1F)c1ccccc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC001441563757 1058817276 /nfs/dbraw/zinc/81/72/76/1058817276.db2.gz DKZWUYNRAURKAN-LJQANCHMSA-N 0 1 396.374 3.990 20 5 GHBDMN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC001442331592 1058948814 /nfs/dbraw/zinc/94/88/14/1058948814.db2.gz JBWHUCIIEBYXGU-UHFFFAOYSA-N 0 1 381.476 3.778 20 5 GHBDMN CN(CCCN(C)C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)Cc1ccco1 ZINC001449229576 1060358973 /nfs/dbraw/zinc/35/89/73/1060358973.db2.gz RZGNJCGRJRVORF-UHFFFAOYSA-N 0 1 383.807 3.574 20 5 GHBDMN CC[C@H](c1ccccc1)N1CCN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC001456979124 1062937658 /nfs/dbraw/zinc/93/76/58/1062937658.db2.gz ISSDOTPGLFRWJJ-BHDDXSALSA-N 0 1 393.487 3.994 20 5 GHBDMN COc1ccc2ncc([N+](=O)[O-])c(N3CCN(CCc4cccs4)CC3)c2c1 ZINC001458138173 1063595469 /nfs/dbraw/zinc/59/54/69/1063595469.db2.gz SGDVXOXRSYOCMX-UHFFFAOYSA-N 0 1 398.488 3.578 20 5 GHBDMN CC[C@@H](c1ccccc1)N1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001459571339 1064131532 /nfs/dbraw/zinc/13/15/32/1064131532.db2.gz FWWCZGSHAUEMQX-IBGZPJMESA-N 0 1 384.436 3.772 20 5 GHBDMN CC[C@@H](c1ccccc1)N1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC001465460591 1065635352 /nfs/dbraw/zinc/63/53/52/1065635352.db2.gz JDDQFQFSYIGKKS-NRFANRHFSA-N 0 1 392.459 3.985 20 5 GHBDMN O=C(NCc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCCCN1Cc1ccccc1 ZINC001466055572 1065968464 /nfs/dbraw/zinc/96/84/64/1065968464.db2.gz ANHUAXXOZDWTAA-IBGZPJMESA-N 0 1 387.867 3.919 20 5 GHBDMN CCN(CC)[C@@H](C(=O)NCc1cc([N+](=O)[O-])c(F)cc1F)c1ccccc1 ZINC001469454520 1068169805 /nfs/dbraw/zinc/16/98/05/1068169805.db2.gz QYIUOUJEYRMRJR-GOSISDBHSA-N 0 1 377.391 3.572 20 5 GHBDMN CC(C)[C@@H]1CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC001470142819 1068593854 /nfs/dbraw/zinc/59/38/54/1068593854.db2.gz SOSIABLFAHMZEQ-FQEVSTJZSA-N 0 1 385.439 3.717 20 5 GHBDMN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(C2CCCC2)[C@@H](C)C1 ZINC001471826636 1073228019 /nfs/dbraw/zinc/22/80/19/1073228019.db2.gz QAMXMJUNOLUMNF-LSDHHAIUSA-N 0 1 377.510 3.551 20 5 GHBDMN CC[C@@H]1CN(Cc2cc(OC)c(F)cc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC001473365256 1073936352 /nfs/dbraw/zinc/93/63/52/1073936352.db2.gz ARMLJDNPCFCMDJ-GOSISDBHSA-N 0 1 387.455 3.839 20 5 GHBDMN CC(C)(C)OC(=O)N[C@H]1CCCCCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC001473709507 1074100888 /nfs/dbraw/zinc/10/08/88/1074100888.db2.gz WIJPFBFQAAEGGR-INIZCTEOSA-N 0 1 393.484 3.743 20 5 GHBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCCC[C@H]1c1ncc(Br)cn1 ZINC001473808844 1074154742 /nfs/dbraw/zinc/15/47/42/1074154742.db2.gz KJWSJKKCBCGSDF-HNNXBMFYSA-N 0 1 393.241 3.580 20 5 GHBDMN C[C@@H](CNC(=O)OC(C)(C)C)NCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001474440145 1074407089 /nfs/dbraw/zinc/40/70/89/1074407089.db2.gz FOQJFPFKEIJDNP-JTQLQIEISA-N 0 1 377.363 3.616 20 5 GHBDMN COc1c(O)ccc(CN2CCC[C@@H](c3cncn3C(C)(C)C)C2)c1[N+](=O)[O-] ZINC001474755851 1074547274 /nfs/dbraw/zinc/54/72/74/1074547274.db2.gz VSIAWUUJGCQMCA-CQSZACIVSA-N 0 1 388.468 3.640 20 5 GHBDMN C[C@@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736137179 598355489 /nfs/dbraw/zinc/35/54/89/598355489.db2.gz WCHPAQIPDUHQEW-CYBMUJFWSA-N 0 1 390.403 3.886 20 5 GHBDMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000263574819 604680646 /nfs/dbraw/zinc/68/06/46/604680646.db2.gz NZXRGWNFHHPPFV-WHOFXGATSA-N 0 1 383.242 3.575 20 5 GHBDMN CCOc1ccc([C@H](C)N[C@@H](C)c2ccc(-c3nn[nH]n3)cc2)cc1[N+](=O)[O-] ZINC000825632265 608493449 /nfs/dbraw/zinc/49/34/49/608493449.db2.gz NLSNMYCKSGGSRU-STQMWFEESA-N 0 1 382.424 3.585 20 5 GHBDMN Cc1cc(S(=O)(=O)Nc2cccc(NC(=O)C(C)C)c2)c(C)cc1[N+](=O)[O-] ZINC000414366880 837410559 /nfs/dbraw/zinc/41/05/59/837410559.db2.gz CJQXTCLHLPTFFO-UHFFFAOYSA-N 0 1 391.449 3.607 20 5 GHBDMN Cc1ccc2[nH]cc(C(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)c(=O)c2c1 ZINC000557597123 834396729 /nfs/dbraw/zinc/39/67/29/834396729.db2.gz ZWFVVRJRHZGIRR-UHFFFAOYSA-N 0 1 377.400 3.550 20 5 GHBDMN Cc1ccc(S(=O)(=O)C[C@H](C)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000120203591 834881957 /nfs/dbraw/zinc/88/19/57/834881957.db2.gz HGBMKVGIESWULW-JKSUJKDBSA-N 0 1 376.478 3.725 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1CN1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000430198729 835020868 /nfs/dbraw/zinc/02/08/68/835020868.db2.gz ZSINKXLJGRKPIF-UHFFFAOYSA-N 0 1 393.447 3.768 20 5 GHBDMN Cc1ccc(S(=O)(=O)Nc2cc(F)cc([N+](=O)[O-])c2)c(Br)c1 ZINC000319013961 835336872 /nfs/dbraw/zinc/33/68/72/835336872.db2.gz GNTIMBKJQWUUCR-UHFFFAOYSA-N 0 1 389.202 3.606 20 5 GHBDMN CC(C)Oc1ccc([C@@H](C)NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000179527486 835862614 /nfs/dbraw/zinc/86/26/14/835862614.db2.gz NOYNONFPOWJSLG-OAHLLOKOSA-N 0 1 383.448 3.622 20 5 GHBDMN CCOc1ccccc1[C@H](CC)NCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000179739379 835958662 /nfs/dbraw/zinc/95/86/62/835958662.db2.gz CJIQLLVWJRRQID-INIZCTEOSA-N 0 1 387.436 3.682 20 5 GHBDMN COCCCC[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000480619045 836043616 /nfs/dbraw/zinc/04/36/16/836043616.db2.gz XAYBQDWXTSIILX-MRXNPFEDSA-N 0 1 396.440 3.570 20 5 GHBDMN COc1ccc(NC(=O)CC[N@H+]2CC[C@H](C(F)(F)F)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000411782940 836345922 /nfs/dbraw/zinc/34/59/22/836345922.db2.gz ALFTTWRRSYHIMG-NEPJUHHUSA-N 0 1 389.374 3.595 20 5 GHBDMN Cc1ccc([C@H](C)N[C@@H](C)C(=O)N[C@H]2CCOc3ccccc32)cc1[N+](=O)[O-] ZINC000247005173 836551805 /nfs/dbraw/zinc/55/18/05/836551805.db2.gz KZEDTBGGEJPHGZ-MPGHIAIKSA-N 0 1 383.448 3.582 20 5 GHBDMN COc1cccc([C@H]2C[C@H](N(C)CC(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)c1 ZINC000452013559 836607167 /nfs/dbraw/zinc/60/71/67/836607167.db2.gz HDEKKUUWIUMOJC-SAABIXHNSA-N 0 1 383.448 3.728 20 5 GHBDMN Cc1nc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c(Cl)cc1Cl ZINC000180212970 836695026 /nfs/dbraw/zinc/69/50/26/836695026.db2.gz NQUIKCGHNOQOCB-UHFFFAOYSA-N 0 1 380.184 3.545 20 5 GHBDMN COc1cc(CN2CCC[C@@H]2CSC)c([N+](=O)[O-])cc1OCC(F)F ZINC000180219437 836723104 /nfs/dbraw/zinc/72/31/04/836723104.db2.gz RTMZTRZKIMENLT-GFCCVEGCSA-N 0 1 376.425 3.575 20 5 GHBDMN Cc1cc([N+](=O)[O-])c(C)cc1NS(=O)(=O)c1ccccc1Br ZINC000188594460 836757845 /nfs/dbraw/zinc/75/78/45/836757845.db2.gz LEYYGFTWJAKZTJ-UHFFFAOYSA-N 0 1 385.239 3.775 20 5 GHBDMN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cc(F)ccc2N2CCCCC2)c1 ZINC000612785779 836760621 /nfs/dbraw/zinc/76/06/21/836760621.db2.gz BPSUHVWYXITYMC-UHFFFAOYSA-N 0 1 379.413 3.525 20 5 GHBDMN CN(C)[C@H](CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000175425504 836821675 /nfs/dbraw/zinc/82/16/75/836821675.db2.gz IVCBXAILFWJDOK-GOSISDBHSA-N 0 1 388.443 3.571 20 5 GHBDMN NC(=O)c1ccc(CN(Cc2ccc3c(c2)CCO3)C2CCCC2)c([N+](=O)[O-])c1 ZINC000102774758 838215418 /nfs/dbraw/zinc/21/54/18/838215418.db2.gz FXLRTEBUEDZNIV-UHFFFAOYSA-N 0 1 395.459 3.573 20 5 GHBDMN Cc1c(NC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)cccc1[N+](=O)[O-] ZINC000047346055 838378768 /nfs/dbraw/zinc/37/87/68/838378768.db2.gz VNXHPUASPVMPFJ-UHFFFAOYSA-N 0 1 386.427 3.828 20 5 GHBDMN COc1cc(CNC[C@H]2CCC(C)(C)O2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000189731738 838389885 /nfs/dbraw/zinc/38/98/85/838389885.db2.gz FKGSCYOHAIXLDS-GFCCVEGCSA-N 0 1 392.374 3.592 20 5 GHBDMN COc1ccc(OCC[N@H+]2CCC[C@H]2C[C@H](O)c2cccs2)c([N+](=O)[O-])c1 ZINC000175852536 838481195 /nfs/dbraw/zinc/48/11/95/838481195.db2.gz SHJCIZGZCQEJMP-YOEHRIQHSA-N 0 1 392.477 3.632 20 5 GHBDMN O=[N+]([O-])c1ccccc1OCCN1CCC(c2nc(-c3ccccc3)no2)CC1 ZINC000103493027 838559088 /nfs/dbraw/zinc/55/90/88/838559088.db2.gz GDRVHMZTHSTCAC-UHFFFAOYSA-N 0 1 394.431 3.903 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@H]1CCc1ccccc1 ZINC000053181984 839060503 /nfs/dbraw/zinc/06/05/03/839060503.db2.gz RCAMLDVZBGACNK-KRWDZBQOSA-N 0 1 383.448 3.639 20 5 GHBDMN COc1ccc(NC(=O)[C@H](C)N[C@H](C)c2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000129241727 844445996 /nfs/dbraw/zinc/44/59/96/844445996.db2.gz NVQWIDJARFXPIP-NEPJUHHUSA-N 0 1 377.828 3.935 20 5 GHBDMN Nc1cccc(CN2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1 ZINC000261760922 839667346 /nfs/dbraw/zinc/66/73/46/839667346.db2.gz XQNBCUMPKWENON-UHFFFAOYSA-N 0 1 380.370 3.518 20 5 GHBDMN CCN(CC)[C@@H](CNC(=O)c1cc(SC)ccc1[N+](=O)[O-])c1ccco1 ZINC000067275776 844482058 /nfs/dbraw/zinc/48/20/58/844482058.db2.gz ZTBQRAVUTLDQDO-INIZCTEOSA-N 0 1 377.466 3.723 20 5 GHBDMN CCc1ccc(C(=O)NC[C@@H](c2ccccc2OC)N2CCCC2)cc1[N+](=O)[O-] ZINC000471606641 839962789 /nfs/dbraw/zinc/96/27/89/839962789.db2.gz OWSOJNOXYHEFFL-FQEVSTJZSA-N 0 1 397.475 3.733 20 5 GHBDMN Nc1c(C(=O)N[C@H](c2ccccc2)c2ccc3nc[nH]c3c2)cccc1[N+](=O)[O-] ZINC000175865378 840250265 /nfs/dbraw/zinc/25/02/65/840250265.db2.gz HEIPSJGGVJDAEO-HXUWFJFHSA-N 0 1 387.399 3.573 20 5 GHBDMN O=C(N[C@H](c1cccc(F)c1F)C(F)(F)F)c1cc(O)cc([N+](=O)[O-])c1 ZINC000548137548 840269551 /nfs/dbraw/zinc/26/95/51/840269551.db2.gz KGRNGIXCGREWEM-CYBMUJFWSA-N 0 1 376.237 3.612 20 5 GHBDMN COC(=O)C1(c2ccccc2)CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000124839944 841019692 /nfs/dbraw/zinc/01/96/92/841019692.db2.gz JWLBPGXDEKSKKH-VQHVLOKHSA-N 0 1 380.444 3.815 20 5 GHBDMN CC[C@H](NCCS(=O)(=O)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000177970139 841028259 /nfs/dbraw/zinc/02/82/59/841028259.db2.gz OQOVVYCTDONJDH-KRWDZBQOSA-N 0 1 382.869 3.763 20 5 GHBDMN CC[C@@H](N[C@@H](Cc1ccccc1)C(=O)N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000131109303 861203243 /nfs/dbraw/zinc/20/32/43/861203243.db2.gz DRXOUEWBDHFRGA-RTWAWAEBSA-N 0 1 381.476 3.869 20 5 GHBDMN CCCN(CCc1cccc(F)c1)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000500228248 841694335 /nfs/dbraw/zinc/69/43/35/841694335.db2.gz IIDWYXIPAFXZHJ-UHFFFAOYSA-N 0 1 389.427 3.636 20 5 GHBDMN O=C(Nc1ccc(Oc2ccc(CO)cc2)cc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000477117867 841820058 /nfs/dbraw/zinc/82/00/58/841820058.db2.gz XOKFMKYOOVPFME-UHFFFAOYSA-N 0 1 380.356 3.837 20 5 GHBDMN O=C(CN1CCCCCC1)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000045941475 841874397 /nfs/dbraw/zinc/87/43/97/841874397.db2.gz VGYADCMXYQUBGF-UHFFFAOYSA-N 0 1 396.447 3.662 20 5 GHBDMN C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1cc2ccccc2o1 ZINC000178201792 842427236 /nfs/dbraw/zinc/42/72/36/842427236.db2.gz ZYMLHMOAYBFYMO-NSHDSACASA-N 0 1 377.360 3.868 20 5 GHBDMN CO[C@H](c1ccccc1Cl)[C@@H](C)NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000481411361 861308175 /nfs/dbraw/zinc/30/81/75/861308175.db2.gz RUJAICQUGSMVBD-YJYMSZOUSA-N 0 1 391.855 3.577 20 5 GHBDMN CC(C)(NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccccc1Br ZINC000477720225 842983883 /nfs/dbraw/zinc/98/38/83/842983883.db2.gz QOXZEOCKEUPOPM-UHFFFAOYSA-N 0 1 379.210 3.728 20 5 GHBDMN CC(C)[C@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc2c(c1)OCCO2 ZINC000510666933 843158948 /nfs/dbraw/zinc/15/89/48/843158948.db2.gz OFFKBPGMDJJPJM-FQEVSTJZSA-N 0 1 382.420 3.729 20 5 GHBDMN CN(C(=O)CSc1nc2ccc(Cl)cc2[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000024777886 843463807 /nfs/dbraw/zinc/46/38/07/843463807.db2.gz NQPZOUZSGKINED-UHFFFAOYSA-N 0 1 376.825 3.880 20 5 GHBDMN Cc1[nH]ncc1C1CCN(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC000581984772 843707649 /nfs/dbraw/zinc/70/76/49/843707649.db2.gz YFYXFXZLUZUTBA-UHFFFAOYSA-N 0 1 382.342 3.665 20 5 GHBDMN CC(C)N(C(=O)c1cc([N+](=O)[O-])ccc1F)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000843695965 843845532 /nfs/dbraw/zinc/84/55/32/843845532.db2.gz LMKHWUBUHVODED-GOSISDBHSA-N 0 1 385.439 3.859 20 5 GHBDMN Cc1ccc(S(=O)(=O)Nc2cccc(Cl)c2-n2cccn2)cc1[N+](=O)[O-] ZINC000603980227 861499032 /nfs/dbraw/zinc/49/90/32/861499032.db2.gz CBZDFSSWTCUNMD-UHFFFAOYSA-N 0 1 392.824 3.543 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@@H](c3cc4ccccc4[nH]3)C2)c1[N+](=O)[O-] ZINC000610919385 844855950 /nfs/dbraw/zinc/85/59/50/844855950.db2.gz GLDLJJSTJWYAEK-CQSZACIVSA-N 0 1 381.436 3.942 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N2CCCC[C@H]2c2nc3ccccc3o2)c1[N+](=O)[O-] ZINC000610925560 844859756 /nfs/dbraw/zinc/85/97/56/844859756.db2.gz MKQPSTXUHPVCRH-ZDUSSCGKSA-N 0 1 383.408 3.950 20 5 GHBDMN O=C(N[C@@H](c1ccccc1Cl)c1cc(F)ccc1F)c1n[nH]cc1[N+](=O)[O-] ZINC000120672440 845003976 /nfs/dbraw/zinc/00/39/76/845003976.db2.gz BNWVEHUPVFQPKT-HNNXBMFYSA-N 0 1 392.749 3.769 20 5 GHBDMN C[C@@H]1CN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[C@H]1c1ccccc1 ZINC001167499370 845306502 /nfs/dbraw/zinc/30/65/02/845306502.db2.gz HMAXEJDIRWEGCQ-OXQOHEQNSA-N 0 1 379.460 3.610 20 5 GHBDMN CO[C@H](C)CCN[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000419249518 845496731 /nfs/dbraw/zinc/49/67/31/845496731.db2.gz PIJPSWXUCZVKAB-ACJLOTCBSA-N 0 1 391.855 3.943 20 5 GHBDMN O=[N+]([O-])c1ccc2[nH]c(CN[C@]3(Cc4ccc(Cl)cc4)CCOC3)nc2c1 ZINC000502532913 846193111 /nfs/dbraw/zinc/19/31/11/846193111.db2.gz XEZVPFNKBNGWRV-IBGZPJMESA-N 0 1 386.839 3.616 20 5 GHBDMN CCOc1cc(NC(=O)c2ccc([N+](=O)[O-])s2)c([N+](=O)[O-])cc1OCC ZINC000280417884 846395814 /nfs/dbraw/zinc/39/58/14/846395814.db2.gz HWLIOIYCCMMJMN-UHFFFAOYSA-N 0 1 381.366 3.614 20 5 GHBDMN Cn1c2ccccc2nc1[C@H]1CCCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000501004486 846535373 /nfs/dbraw/zinc/53/53/73/846535373.db2.gz AMRDOIQVDNHFRY-LJQANCHMSA-N 0 1 393.447 3.647 20 5 GHBDMN C[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000563285154 846659531 /nfs/dbraw/zinc/65/95/31/846659531.db2.gz XYUKPRYNZXKGGT-INIZCTEOSA-N 0 1 382.338 3.741 20 5 GHBDMN COc1cccc([C@@H]2[C@H](NC(=O)c3cccc(C)c3[N+](=O)[O-])CCN2C2CC2)c1 ZINC000183248387 846831841 /nfs/dbraw/zinc/83/18/41/846831841.db2.gz DYUKCQLBCKWWIO-TZIWHRDSSA-N 0 1 395.459 3.620 20 5 GHBDMN COc1cccc([C@@H]2[C@H](NC(=O)c3cc([N+](=O)[O-])ccc3C)CCN2C2CC2)c1 ZINC000183278503 847026823 /nfs/dbraw/zinc/02/68/23/847026823.db2.gz SBSFGDMUDAHNGA-NHCUHLMSSA-N 0 1 395.459 3.620 20 5 GHBDMN O=[N+]([O-])c1ccc(N2CCN(CCCOc3cccc4ccccc43)CC2)cn1 ZINC000604071159 861752207 /nfs/dbraw/zinc/75/22/07/861752207.db2.gz LXLNJLIVZAJFQD-UHFFFAOYSA-N 0 1 392.459 3.734 20 5 GHBDMN CC(C)c1nc([C@@H]2CCCCCN2C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)no1 ZINC000501845415 847244096 /nfs/dbraw/zinc/24/40/96/847244096.db2.gz UUPIZOBCUCTTFL-HNNXBMFYSA-N 0 1 398.423 3.735 20 5 GHBDMN COc1ccc(NC(=O)CN[C@H](CC(F)F)c2ccccc2)c([N+](=O)[O-])c1 ZINC000420994748 847617019 /nfs/dbraw/zinc/61/70/19/847617019.db2.gz NRDPAXMNLQYZKJ-OAHLLOKOSA-N 0 1 379.363 3.528 20 5 GHBDMN CCO[C@H]1C[C@@H](NCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C12CCCCC2 ZINC000503426369 847699124 /nfs/dbraw/zinc/69/91/24/847699124.db2.gz NUUUZMQJVRXERE-SJORKVTESA-N 0 1 386.452 3.862 20 5 GHBDMN Cc1cc(N2CCC(c3nncn3C3CC3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000272889146 861827293 /nfs/dbraw/zinc/82/72/93/861827293.db2.gz XNGDIKDOPFJROZ-UHFFFAOYSA-N 0 1 378.436 3.762 20 5 GHBDMN C[C@H](NCC(=O)Nc1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000178647382 848208907 /nfs/dbraw/zinc/20/89/07/848208907.db2.gz UWJJSFLPRZEYPD-NSHDSACASA-N 0 1 378.226 3.647 20 5 GHBDMN Cc1ccncc1[C@H](C)NCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000611940363 848334744 /nfs/dbraw/zinc/33/47/44/848334744.db2.gz YXMJMLUTDIDSMN-ZDUSSCGKSA-N 0 1 397.460 3.711 20 5 GHBDMN CC[C@H](N[C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000161549836 848654909 /nfs/dbraw/zinc/65/49/09/848654909.db2.gz FHKPJDNWFOFXEK-LIRRHRJNSA-N 0 1 391.493 3.647 20 5 GHBDMN CC[C@@H](C)c1nc([C@H](C)NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)n[nH]1 ZINC000277962703 848656561 /nfs/dbraw/zinc/65/65/61/848656561.db2.gz ULIJOXVBIHCIDG-MNOVXSKESA-N 0 1 377.420 3.521 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000162488926 849089157 /nfs/dbraw/zinc/08/91/57/849089157.db2.gz CXTWNBSELHFDQW-OAHLLOKOSA-N 0 1 383.452 3.645 20 5 GHBDMN Cn1nc([N+](=O)[O-])cc1C(=O)Nc1ccc2nc(-c3ccccc3Cl)[nH]c2c1 ZINC000481663473 861989528 /nfs/dbraw/zinc/98/95/28/861989528.db2.gz WWEACBSUVNFAIS-UHFFFAOYSA-N 0 1 396.794 3.777 20 5 GHBDMN C[C@@H](NCc1cc(I)cc([N+](=O)[O-])c1)c1cccc(O)c1 ZINC000514693938 850181617 /nfs/dbraw/zinc/18/16/17/850181617.db2.gz BTKZJHRXVLKMBC-SNVBAGLBSA-N 0 1 398.200 3.756 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2ncn(CN3CC[C@H](c4ccc(Cl)cc4)C3)n2)cc1 ZINC000732187739 862112855 /nfs/dbraw/zinc/11/28/55/862112855.db2.gz ZEIUVYNAXVKPOG-INIZCTEOSA-N 0 1 383.839 3.954 20 5 GHBDMN O=C(CN(Cc1ccc2c(c1)OCO2)C1CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000027574118 850424454 /nfs/dbraw/zinc/42/44/54/850424454.db2.gz HYQYXWNKLRPMCJ-UHFFFAOYSA-N 0 1 397.431 3.707 20 5 GHBDMN Cc1ccc(C2(CNC(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)CCC2)cc1C ZINC001128561332 862154845 /nfs/dbraw/zinc/15/48/45/862154845.db2.gz ADISMZIXCHFSMX-UHFFFAOYSA-N 0 1 378.432 3.940 20 5 GHBDMN CN(C)[C@@H](CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)Cc1ccccc1 ZINC000435830755 850895828 /nfs/dbraw/zinc/89/58/28/850895828.db2.gz JHNUKKDLRCKBTB-LJQANCHMSA-N 0 1 399.494 3.584 20 5 GHBDMN O=c1ccc([N+](=O)[O-])cn1CCN1CCC(c2ccc(Cl)cc2Cl)CC1 ZINC000428723138 851038254 /nfs/dbraw/zinc/03/82/54/851038254.db2.gz IUQYESIIDYEFIP-UHFFFAOYSA-N 0 1 396.274 3.943 20 5 GHBDMN CC(C)c1ccc(C(=O)Nc2cccc(CN3CCN(C)CC3)c2)cc1[N+](=O)[O-] ZINC000473623517 851287792 /nfs/dbraw/zinc/28/77/92/851287792.db2.gz OTNRASIUGDYYMC-UHFFFAOYSA-N 0 1 396.491 3.718 20 5 GHBDMN COc1ccc(NC(=O)CN2CCC[C@@H]2Cc2ccccc2C)c([N+](=O)[O-])c1 ZINC000514184901 851337450 /nfs/dbraw/zinc/33/74/50/851337450.db2.gz AAFPSHWBVNBVFD-QGZVFWFLSA-N 0 1 383.448 3.557 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N2CC[C@@](F)(c3cccc(Cl)c3)C2)c1[N+](=O)[O-] ZINC000514247466 851472423 /nfs/dbraw/zinc/47/24/23/851472423.db2.gz AEKZVYJGWGHCED-KRWDZBQOSA-N 0 1 380.807 3.806 20 5 GHBDMN COc1ccc(S(=O)(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)c(C)c1C ZINC000430088688 851519174 /nfs/dbraw/zinc/51/91/74/851519174.db2.gz XOJFSPIVASFRPZ-UHFFFAOYSA-N 0 1 393.446 3.631 20 5 GHBDMN CC[C@H](C)c1nc([C@H](C)NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n[nH]1 ZINC000489175996 852086933 /nfs/dbraw/zinc/08/69/33/852086933.db2.gz JMPWBQBJVPEMRG-IUCAKERBSA-N 0 1 385.346 3.736 20 5 GHBDMN Nc1c(C(=O)Nc2ccc3nc(-c4ccco4)[nH]c3c2)cc(F)cc1[N+](=O)[O-] ZINC000516130283 852187420 /nfs/dbraw/zinc/18/74/20/852187420.db2.gz WKRQNQJYIVNLTR-UHFFFAOYSA-N 0 1 381.323 3.705 20 5 GHBDMN COc1cc(-c2nc3c(cccc3Br)n2C)cc([N+](=O)[O-])c1O ZINC000436766940 852321651 /nfs/dbraw/zinc/32/16/51/852321651.db2.gz AKGIAYKPKGPEGU-UHFFFAOYSA-N 0 1 378.182 3.625 20 5 GHBDMN C[C@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1nc2ccc(Cl)cc2[nH]1 ZINC000732569145 862362915 /nfs/dbraw/zinc/36/29/15/862362915.db2.gz XORMEGWYTNDWCO-VIFPVBQESA-N 0 1 394.840 3.701 20 5 GHBDMN O=[N+]([O-])c1cccc(CN(Cc2c[nH]nc2-c2ccc3c(c2)OCO3)C2CC2)c1 ZINC000507172454 852643625 /nfs/dbraw/zinc/64/36/25/852643625.db2.gz CYKFAMKFYAIWOW-UHFFFAOYSA-N 0 1 392.415 3.878 20 5 GHBDMN Cc1ccc(NC(=O)[C@H](N[C@H]2CSC[C@H]2C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000507221469 852686679 /nfs/dbraw/zinc/68/66/79/852686679.db2.gz KEWZMJUASYXARC-DKSSEZFCSA-N 0 1 385.489 3.924 20 5 GHBDMN C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)c2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000506323828 852735205 /nfs/dbraw/zinc/73/52/05/852735205.db2.gz DIYAWOOJTSPIQQ-IYBDPMFKSA-N 0 1 397.475 3.708 20 5 GHBDMN CC(C)[C@@H](Cc1ccc(F)cc1)N(C)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000437105317 852741330 /nfs/dbraw/zinc/74/13/30/852741330.db2.gz ITYYDWZBCOECNW-GOSISDBHSA-N 0 1 384.411 3.950 20 5 GHBDMN Cc1ccc([C@@H](CNC(=O)CSc2ccc([N+](=O)[O-])cc2)N2CCCC2)o1 ZINC000506344879 852805582 /nfs/dbraw/zinc/80/55/82/852805582.db2.gz CGCUBQKSYWKPKC-QGZVFWFLSA-N 0 1 389.477 3.542 20 5 GHBDMN CC[N@@H+](CCNC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1)CCC(F)(F)F ZINC000427221030 852856532 /nfs/dbraw/zinc/85/65/32/852856532.db2.gz WYRMRCFQRRWFFI-UHFFFAOYSA-N 0 1 375.391 3.722 20 5 GHBDMN CCN(CCNC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1)CCC(F)(F)F ZINC000427221030 852856542 /nfs/dbraw/zinc/85/65/42/852856542.db2.gz WYRMRCFQRRWFFI-UHFFFAOYSA-N 0 1 375.391 3.722 20 5 GHBDMN O=C(CCOc1ccccc1[N+](=O)[O-])Nc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000490331867 852940242 /nfs/dbraw/zinc/94/02/42/852940242.db2.gz WDSNNNDDPZCETD-UHFFFAOYSA-N 0 1 394.309 3.898 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C1CC1)[C@H]1CCc2ccccc21 ZINC000138797676 853408447 /nfs/dbraw/zinc/40/84/47/853408447.db2.gz AFOKDXMMSOQKIQ-IBGZPJMESA-N 0 1 381.432 3.694 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCc2cc(F)ccc2[C@@H]1C ZINC000591015047 853719315 /nfs/dbraw/zinc/71/93/15/853719315.db2.gz ZCYOCNIUEOXSJY-ZDUSSCGKSA-N 0 1 387.411 3.690 20 5 GHBDMN CC[C@H](c1ccccc1)N1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC001126497514 853735723 /nfs/dbraw/zinc/73/57/23/853735723.db2.gz LQEZYIAGYKVZBT-QYFOZDBKSA-N 0 1 379.460 3.904 20 5 GHBDMN CC[C@@H](CNC(=O)c1c(C)c(F)ccc1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000843766082 854250540 /nfs/dbraw/zinc/25/05/40/854250540.db2.gz XRTFYFRIOMHURC-KRWDZBQOSA-N 0 1 385.439 3.609 20 5 GHBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282494064 862554906 /nfs/dbraw/zinc/55/49/06/862554906.db2.gz QBPKPDNGZYKTLW-ZDUSSCGKSA-N 0 1 397.391 3.789 20 5 GHBDMN CCN(C)Cc1cc(O[C@@H]2CCN(c3ccc([N+](=O)[O-])cc3Cl)C2)ccn1 ZINC000856534006 881344267 /nfs/dbraw/zinc/34/42/67/881344267.db2.gz BUXHVOIQOQATQS-QGZVFWFLSA-N 0 1 390.871 3.753 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1cccc(O)c1F ZINC000131516457 854765490 /nfs/dbraw/zinc/76/54/90/854765490.db2.gz JTCIMABZPDOSAZ-UHFFFAOYSA-N 0 1 381.168 3.547 20 5 GHBDMN COc1cc(CNc2ncc(Cc3ccccc3F)s2)cc([N+](=O)[O-])c1O ZINC000542750285 855618171 /nfs/dbraw/zinc/61/81/71/855618171.db2.gz GFMBOUPQOLYIHZ-UHFFFAOYSA-N 0 1 389.408 3.529 20 5 GHBDMN C[C@@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H](O)Cc1ccccc1 ZINC000123234894 856212599 /nfs/dbraw/zinc/21/25/99/856212599.db2.gz CGBATJXOPSMHNM-KUHUBIRLSA-N 0 1 383.473 3.800 20 5 GHBDMN COc1cc(NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)cc2cccnc21 ZINC000427660131 856539736 /nfs/dbraw/zinc/53/97/36/856539736.db2.gz PDTPZQWZVRFYOP-UHFFFAOYSA-N 0 1 387.417 3.569 20 5 GHBDMN Cc1ccc(C)c([C@@H]2CN(C(=O)c3[nH]nc4ccc([N+](=O)[O-])cc43)[C@H](C)CO2)c1 ZINC000172729529 856578884 /nfs/dbraw/zinc/57/88/84/856578884.db2.gz WCBAAFHHVVISRX-KUHUBIRLSA-N 0 1 394.431 3.690 20 5 GHBDMN Cc1ccc2nc([C@@H]3CCCN3C(=O)CN(C)c3ccccc3[N+](=O)[O-])[nH]c2c1 ZINC000172918050 856660576 /nfs/dbraw/zinc/66/05/76/856660576.db2.gz RNXUNDKLQHQONR-IBGZPJMESA-N 0 1 393.447 3.579 20 5 GHBDMN C[C@@H](N[C@@H](C)C(=O)Nc1ccccc1OC(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000905851719 856660731 /nfs/dbraw/zinc/66/07/31/856660731.db2.gz BOVADAHKUPFYDP-NEPJUHHUSA-N 0 1 379.363 3.874 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)CCNC1(c2ccccc2Cl)CC1 ZINC000592137660 856679688 /nfs/dbraw/zinc/67/96/88/856679688.db2.gz MQYGJNCYBLXXKH-UHFFFAOYSA-N 0 1 389.839 3.864 20 5 GHBDMN Cc1nc2ccc(S(=O)(=O)Nc3cc(C)c([N+](=O)[O-])cc3C)cc2s1 ZINC000427771969 856688895 /nfs/dbraw/zinc/68/88/95/856688895.db2.gz SRSNJAXSBBGPCM-UHFFFAOYSA-N 0 1 377.447 3.931 20 5 GHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC(c2c(F)cccc2F)CC1 ZINC000485600148 856800725 /nfs/dbraw/zinc/80/07/25/856800725.db2.gz OCFNVWDLQSTANB-UHFFFAOYSA-N 0 1 386.358 3.769 20 5 GHBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCC[C@H]2C[C@H](C)O)cc1OC ZINC000542918265 856811065 /nfs/dbraw/zinc/81/10/65/856811065.db2.gz WCRCBFUFFQTKER-ZOBUZTSGSA-N 0 1 380.485 3.764 20 5 GHBDMN Cc1ccc2nc([C@H]3CCCN3C(=O)Cc3ccc(F)cc3[N+](=O)[O-])[nH]c2c1 ZINC000593039813 857194680 /nfs/dbraw/zinc/19/46/80/857194680.db2.gz FOOSFHYEHBLMAR-QGZVFWFLSA-N 0 1 382.395 3.825 20 5 GHBDMN Cc1ccc(NC(=O)[C@H](c2ccccc2)N(C)C[C@H]2CCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000246173940 857265127 /nfs/dbraw/zinc/26/51/27/857265127.db2.gz CVEPUGPGCIVWEJ-UIFIKXQLSA-N 0 1 397.475 3.676 20 5 GHBDMN Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000041904193 857314298 /nfs/dbraw/zinc/31/42/98/857314298.db2.gz XOZBYBZBCIOOLM-QGZVFWFLSA-N 0 1 388.493 3.563 20 5 GHBDMN O=C(NCc1ccncc1)Nc1cccc(CNCc2ccc([N+](=O)[O-])cc2)c1 ZINC000113355292 857442567 /nfs/dbraw/zinc/44/25/67/857442567.db2.gz TWEABAZMTHGPTQ-UHFFFAOYSA-N 0 1 391.431 3.601 20 5 GHBDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)n[nH]1 ZINC000486241617 857566217 /nfs/dbraw/zinc/56/62/17/857566217.db2.gz FTILARKBSDSAQE-RKDXNWHRSA-N 0 1 398.370 3.711 20 5 GHBDMN CC[C@@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1c1ccc([N+](=O)[O-])c(C)n1 ZINC000301790919 857768229 /nfs/dbraw/zinc/76/82/29/857768229.db2.gz NUUCRPCICFYMFX-QRWLVFNGSA-N 0 1 383.496 3.739 20 5 GHBDMN Cc1ccc2nc([C@@H]3CCCN3C(=O)CNc3ccccc3[N+](=O)[O-])[nH]c2c1 ZINC000142266451 858088140 /nfs/dbraw/zinc/08/81/40/858088140.db2.gz YLYWRYRZUGMTOU-SFHVURJKSA-N 0 1 379.420 3.555 20 5 GHBDMN O=C(NCCN1CC=CCC1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442825323 858149905 /nfs/dbraw/zinc/14/99/05/858149905.db2.gz UTMMWBMPLJWDRE-UHFFFAOYSA-N 0 1 383.473 3.738 20 5 GHBDMN CCCCNC(=O)c1ccc(CN[C@H](C)c2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000595006271 858364394 /nfs/dbraw/zinc/36/43/94/858364394.db2.gz HXHKOPWHJNTYKE-OAHLLOKOSA-N 0 1 385.464 3.984 20 5 GHBDMN CN(C)Cc1ccc(CNc2ncc(Br)cc2[N+](=O)[O-])cc1F ZINC000301877129 858457752 /nfs/dbraw/zinc/45/77/52/858457752.db2.gz KTJMICDYZWLPBM-UHFFFAOYSA-N 0 1 383.221 3.565 20 5 GHBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@H](C[C@H]2CCOC2)c2ccccc2)c1 ZINC000593021312 858548023 /nfs/dbraw/zinc/54/80/23/858548023.db2.gz VASBEHXVFAOKPK-DNVCBOLYSA-N 0 1 384.432 3.639 20 5 GHBDMN O=C(CNC1(c2ccc(C(F)(F)F)cc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000593113206 858659251 /nfs/dbraw/zinc/65/92/51/858659251.db2.gz MRIJPKKHAZNXLI-UHFFFAOYSA-N 0 1 379.338 3.831 20 5 GHBDMN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc3cnn(C(C)C)c3c2)c1C ZINC000509615799 858752656 /nfs/dbraw/zinc/75/26/56/858752656.db2.gz VGOVWBPWYBRVLV-UHFFFAOYSA-N 0 1 388.449 3.943 20 5 GHBDMN CC(C)(NC[C@@H](O)COc1cccc(C(F)(F)F)c1)c1ccccc1[N+](=O)[O-] ZINC000429266253 858863168 /nfs/dbraw/zinc/86/31/68/858863168.db2.gz INJGPPIAYYTRIQ-CQSZACIVSA-N 0 1 398.381 3.878 20 5 GHBDMN CC(C)(C)C1=CCN(CCNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000556992779 881355410 /nfs/dbraw/zinc/35/54/10/881355410.db2.gz UCBBJTWYTAUBOK-UHFFFAOYSA-N 0 1 391.487 3.806 20 5 GHBDMN C[C@@H](C(=O)NCc1cccc([N+](=O)[O-])c1)N1CCC(Cc2ccccc2)CC1 ZINC000522242415 858885250 /nfs/dbraw/zinc/88/52/50/858885250.db2.gz UURJVHUBHJRPOD-KRWDZBQOSA-N 0 1 381.476 3.554 20 5 GHBDMN CC[C@H](Cc1ccccc1)N(CC)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000543208389 858891767 /nfs/dbraw/zinc/89/17/67/858891767.db2.gz BAYUIRFGZSQXPB-GOSISDBHSA-N 0 1 390.505 3.712 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1 ZINC000532192381 881373834 /nfs/dbraw/zinc/37/38/34/881373834.db2.gz NXWALOREAJPODR-ULQDDVLXSA-N 0 1 384.480 3.763 20 5 GHBDMN Cc1ncc([N+](=O)[O-])n1CCN(Cc1csc(Br)c1)C1CC1 ZINC001307596286 859129711 /nfs/dbraw/zinc/12/97/11/859129711.db2.gz FAJFNMJNSIMOOH-UHFFFAOYSA-N 0 1 385.287 3.588 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000543635287 859140413 /nfs/dbraw/zinc/14/04/13/859140413.db2.gz OZRKPBYAYHWZBG-MJGOQNOKSA-N 0 1 391.830 3.757 20 5 GHBDMN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1cc([N+](=O)[O-])ccc1Br ZINC000923230834 859146756 /nfs/dbraw/zinc/14/67/56/859146756.db2.gz KXXOMQSUYHVFOV-VQISRLSMSA-N 0 1 383.242 3.575 20 5 GHBDMN COc1ccc2c(c1)CCN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C2 ZINC000597212649 859350338 /nfs/dbraw/zinc/35/03/38/859350338.db2.gz WNZFCJIIEDPFJY-UHFFFAOYSA-N 0 1 378.432 3.562 20 5 GHBDMN C[C@@H]1CCCN(c2ccc(C(=O)NCc3ccc4nc[nH]c4c3)cc2[N+](=O)[O-])C1 ZINC000597721890 859765072 /nfs/dbraw/zinc/76/50/72/859765072.db2.gz MAEKLVDXQNTEHA-CQSZACIVSA-N 0 1 393.447 3.637 20 5 GHBDMN COc1cc(CN[C@](C)(CO)c2cccc(C(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000611516474 859797143 /nfs/dbraw/zinc/79/71/43/859797143.db2.gz RBYROURKCXMKLD-QGZVFWFLSA-N 0 1 384.354 3.620 20 5 GHBDMN O=C(Nc1cc(Cl)ccc1O)C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000042743051 859820482 /nfs/dbraw/zinc/82/04/82/859820482.db2.gz TWRUMHZPXFRMKV-UHFFFAOYSA-N 0 1 389.839 3.805 20 5 GHBDMN CC(C)(C)N1CC[C@H]1CNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000597861885 859877793 /nfs/dbraw/zinc/87/77/93/859877793.db2.gz XRXSDISPCWWTFP-KRWDZBQOSA-N 0 1 397.475 3.776 20 5 GHBDMN CC(C)(C)OC(=O)[C@@H]1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)c2ccccc21 ZINC000598203750 860149504 /nfs/dbraw/zinc/14/95/04/860149504.db2.gz GKOVRZXZYJJQMY-QGZVFWFLSA-N 0 1 398.415 3.776 20 5 GHBDMN COc1ccc([C@H](Cc2ccc(F)cc2)NCc2cn(C)nc2[N+](=O)[O-])cc1 ZINC000602798407 860283095 /nfs/dbraw/zinc/28/30/95/860283095.db2.gz CDBGJXGFFHWUBT-IBGZPJMESA-N 0 1 384.411 3.550 20 5 GHBDMN CC(C)[C@]1(CO)CCCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000552407847 860523991 /nfs/dbraw/zinc/52/39/91/860523991.db2.gz HDGBCKRHAFWAPI-LJQANCHMSA-N 0 1 375.494 3.949 20 5 GHBDMN Cc1cc(N2CCC(C)(N3CCOCC3)CC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000599161525 860862939 /nfs/dbraw/zinc/86/29/39/860862939.db2.gz ZQCZOMAKQQSGAV-UHFFFAOYSA-N 0 1 387.402 3.613 20 5 GHBDMN C[C@@H]1C[C@H]1c1ccc(CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C2CC2)o1 ZINC000603603846 860891235 /nfs/dbraw/zinc/89/12/35/860891235.db2.gz XQFRAYFBADYYPR-WIBUTAKZSA-N 0 1 386.448 3.716 20 5 GHBDMN COc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])c(OC)c1 ZINC000593730713 861097555 /nfs/dbraw/zinc/09/75/55/861097555.db2.gz YOLVPPHCZVVYET-SFHVURJKSA-N 0 1 386.404 3.647 20 5 GHBDMN COc1ccc([C@@H]2CCC[N@H+]2Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])c(OC)c1 ZINC000593730713 861097568 /nfs/dbraw/zinc/09/75/68/861097568.db2.gz YOLVPPHCZVVYET-SFHVURJKSA-N 0 1 386.404 3.647 20 5 GHBDMN CCCCNC(=O)[C@@H]1CC[C@@H](C)N(Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000609193888 881617925 /nfs/dbraw/zinc/61/79/25/881617925.db2.gz WSNZWGIQWNJRCQ-IAGOWNOFSA-N 0 1 391.512 3.899 20 5 GHBDMN O=C(CCn1cc([N+](=O)[O-])cn1)Nc1ccc2nc(C3CCCCC3)[nH]c2c1 ZINC000475065369 863797915 /nfs/dbraw/zinc/79/79/15/863797915.db2.gz QQTZZWUZQAMELE-UHFFFAOYSA-N 0 1 382.424 3.744 20 5 GHBDMN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H](C)c1nccn1-c1ccccc1 ZINC000554375372 864234019 /nfs/dbraw/zinc/23/40/19/864234019.db2.gz MDWJSWMBCBWNTK-HOTGVXAUSA-N 0 1 393.447 3.848 20 5 GHBDMN O=C(Nc1nc(C2CCC2)n[nH]1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444322487 864240164 /nfs/dbraw/zinc/24/01/64/864240164.db2.gz YFJDBIPGWJGJHH-UHFFFAOYSA-N 0 1 395.369 3.597 20 5 GHBDMN O=C(Nc1n[nH]c(C2CCC2)n1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444322487 864240174 /nfs/dbraw/zinc/24/01/74/864240174.db2.gz YFJDBIPGWJGJHH-UHFFFAOYSA-N 0 1 395.369 3.597 20 5 GHBDMN O=[N+]([O-])c1ccc(CN[C@@]2(Cc3ccc(Cl)cc3)CCOC2)c([N+](=O)[O-])c1 ZINC000792880898 881769917 /nfs/dbraw/zinc/76/99/17/881769917.db2.gz JDAYVWJCLRBLKJ-GOSISDBHSA-N 0 1 391.811 3.648 20 5 GHBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C ZINC000736421043 865202241 /nfs/dbraw/zinc/20/22/41/865202241.db2.gz PIZDLYSDQOMJPL-UHFFFAOYSA-N 0 1 399.812 3.828 20 5 GHBDMN O=[N+]([O-])c1ccc2[nH]c(=N[C@H](CO)c3ccccc3OC(F)(F)F)ccc2c1 ZINC000480852143 865393730 /nfs/dbraw/zinc/39/37/30/865393730.db2.gz LRCSQSDGBJAUHR-OAHLLOKOSA-N 0 1 393.321 3.609 20 5 GHBDMN Cc1cc(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)cc([N+](=O)[O-])c1 ZINC000149923453 865652707 /nfs/dbraw/zinc/65/27/07/865652707.db2.gz SIWKXLVEAHLLNL-UHFFFAOYSA-N 0 1 387.867 3.951 20 5 GHBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(OC2CCCC2)nc1 ZINC000608875820 865779032 /nfs/dbraw/zinc/77/90/32/865779032.db2.gz XWNNROWPKRMDSB-UHFFFAOYSA-N 0 1 391.449 3.674 20 5 GHBDMN O=C(Nc1ccc(C(=O)NC2CCCCC2)c(O)c1)c1cccc([N+](=O)[O-])c1 ZINC000444374524 865883010 /nfs/dbraw/zinc/88/30/10/865883010.db2.gz NEYGIOMHBFKXMH-UHFFFAOYSA-N 0 1 383.404 3.615 20 5 GHBDMN CCOc1cc(N2CCN(Cc3ccc4ncccc4c3)CC2)ccc1[N+](=O)[O-] ZINC000475494978 866048078 /nfs/dbraw/zinc/04/80/78/866048078.db2.gz JVEKCNZBGOKAAW-UHFFFAOYSA-N 0 1 392.459 3.864 20 5 GHBDMN CC(C)CCN1Cc2cccc(NC(=O)COc3ccc([N+](=O)[O-])cc3)c2C1 ZINC000609063351 866420544 /nfs/dbraw/zinc/42/05/44/866420544.db2.gz BBSGYZRQBMNHDH-UHFFFAOYSA-N 0 1 383.448 3.974 20 5 GHBDMN COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c(C(F)(F)F)c1 ZINC000054293427 866621867 /nfs/dbraw/zinc/62/18/67/866621867.db2.gz VBBLUJIXAHNHHY-UHFFFAOYSA-N 0 1 390.339 3.731 20 5 GHBDMN COc1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c(C(F)(F)F)c1 ZINC000054293514 866623215 /nfs/dbraw/zinc/62/32/15/866623215.db2.gz BDLQFPKCZYIFAM-UHFFFAOYSA-N 0 1 390.339 3.731 20 5 GHBDMN CCc1[nH]nc(C(=O)N2CCC[C@@H](c3cccc(C(F)(F)F)c3)C2)c1[N+](=O)[O-] ZINC000553143841 866873776 /nfs/dbraw/zinc/87/37/76/866873776.db2.gz GUCCJWQVJRRLJD-GFCCVEGCSA-N 0 1 396.369 3.919 20 5 GHBDMN O=[N+]([O-])c1cn(CN2CCC[C@H]2CCc2ccccc2)nc1-c1ccncc1 ZINC000742145484 867078812 /nfs/dbraw/zinc/07/88/12/867078812.db2.gz KSJNYATTZHTVOA-IBGZPJMESA-N 0 1 377.448 3.908 20 5 GHBDMN C[C@H]1CN(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)CC[C@@H]1c1ccccc1 ZINC000742165952 867088637 /nfs/dbraw/zinc/08/86/37/867088637.db2.gz MVAWWHRKGFAXFY-JXFKEZNVSA-N 0 1 377.448 3.936 20 5 GHBDMN Cc1[nH]nc(C(=O)N(C)CCCCCc2cc(-c3ccccc3)n[nH]2)c1[N+](=O)[O-] ZINC000523352721 867115744 /nfs/dbraw/zinc/11/57/44/867115744.db2.gz MRZSVUWFLZJHEX-UHFFFAOYSA-N 0 1 396.451 3.501 20 5 GHBDMN Cc1ccccc1[C@@H](CC(F)(F)F)NC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000444784474 867244812 /nfs/dbraw/zinc/24/48/12/867244812.db2.gz NYYYXWRZMGMGLH-GOEBONIOSA-N 0 1 398.381 3.926 20 5 GHBDMN CCOc1ccc([C@@H](C)N[C@@H](C)C(=O)N2Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC000479516812 867941604 /nfs/dbraw/zinc/94/16/04/867941604.db2.gz LZXXBOANIWZXGR-CABCVRRESA-N 0 1 383.448 3.575 20 5 GHBDMN Cc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000021609665 868396810 /nfs/dbraw/zinc/39/68/10/868396810.db2.gz WBJMMVXGQOGVQX-LBPRGKRZSA-N 0 1 383.433 3.808 20 5 GHBDMN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCN(C)Cc1ccc(F)cc1 ZINC000462601842 869746918 /nfs/dbraw/zinc/74/69/18/869746918.db2.gz JPSZQZBQVAXJRI-GOSISDBHSA-N 0 1 387.455 3.551 20 5 GHBDMN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](c1cccc(F)c1)N(C)C ZINC000462756615 870036505 /nfs/dbraw/zinc/03/65/05/870036505.db2.gz UVVKIZHSXGPRIH-OXQOHEQNSA-N 0 1 387.455 3.722 20 5 GHBDMN C[C@H](CN1CCN(c2ccccc2)CC1)Nc1ccc2ncccc2c1[N+](=O)[O-] ZINC000462853492 870211041 /nfs/dbraw/zinc/21/10/41/870211041.db2.gz NTEJDUCVRNUIMF-QGZVFWFLSA-N 0 1 391.475 3.766 20 5 GHBDMN CC[C@@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccc(Cl)s1 ZINC000544449492 870558863 /nfs/dbraw/zinc/55/88/63/870558863.db2.gz OLKDCZMVBPIRGQ-CYBMUJFWSA-N 0 1 379.869 3.940 20 5 GHBDMN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](c3nnc(-c4ccccc4)[nH]3)C2)c1 ZINC000181343553 870887057 /nfs/dbraw/zinc/88/70/57/870887057.db2.gz VZYHZMWELMWRHK-MRXNPFEDSA-N 0 1 391.431 3.708 20 5 GHBDMN Cc1ccccc1CN1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000462125325 871663622 /nfs/dbraw/zinc/66/36/22/871663622.db2.gz YVPBPJQCEIMPDO-UHFFFAOYSA-N 0 1 377.391 3.827 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@@H](C)c1cccc(F)c1F ZINC000181952934 871673645 /nfs/dbraw/zinc/67/36/45/871673645.db2.gz RSXWMKSXFFPFAQ-NSHDSACASA-N 0 1 379.363 3.561 20 5 GHBDMN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000539318435 871681920 /nfs/dbraw/zinc/68/19/20/871681920.db2.gz BPTVNBYOBGWULR-NSHDSACASA-N 0 1 377.470 3.828 20 5 GHBDMN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1nc(-c2cccs2)ns1 ZINC000527068873 872552573 /nfs/dbraw/zinc/55/25/73/872552573.db2.gz WLRODVXTZRXPRO-UHFFFAOYSA-N 0 1 376.419 3.826 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000527089253 872627796 /nfs/dbraw/zinc/62/77/96/872627796.db2.gz JYUCSFZPNPSYEB-KRWDZBQOSA-N 0 1 376.844 3.981 20 5 GHBDMN CC[C@H](C)Oc1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2OC)cc1 ZINC000619467016 872662808 /nfs/dbraw/zinc/66/28/08/872662808.db2.gz JIZSJQYEJTYHCW-LBPRGKRZSA-N 0 1 380.422 3.582 20 5 GHBDMN CC[C@@H](C)Oc1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2OC)cc1 ZINC000619467015 872663014 /nfs/dbraw/zinc/66/30/14/872663014.db2.gz JIZSJQYEJTYHCW-GFCCVEGCSA-N 0 1 380.422 3.582 20 5 GHBDMN C[C@H](N[C@@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1)c1ccccc1[N+](=O)[O-] ZINC001195937431 872738941 /nfs/dbraw/zinc/73/89/41/872738941.db2.gz CLBYPOGNTITPNS-GXTWGEPZSA-N 0 1 393.365 3.766 20 5 GHBDMN COC(=O)[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)[C@@H]2CCCC[C@@H]12 ZINC001195902988 872745349 /nfs/dbraw/zinc/74/53/49/872745349.db2.gz QMHXPPINQMYEBI-IPMKNSEASA-N 0 1 390.480 3.936 20 5 GHBDMN COc1ccc(CN[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)cc1[N+](=O)[O-] ZINC001196209127 872954353 /nfs/dbraw/zinc/95/43/53/872954353.db2.gz YVXQMIFSLJKJDZ-CXAGYDPISA-N 0 1 382.338 3.628 20 5 GHBDMN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1cccc(-c2nnc[nH]2)c1 ZINC000541261387 873230624 /nfs/dbraw/zinc/23/06/24/873230624.db2.gz DVLOFUYMQBNPLM-UHFFFAOYSA-N 0 1 389.824 3.764 20 5 GHBDMN Cc1ccc(NC(=O)[C@H](N[C@H]2[C@@H](C)[C@H](C)O[C@H]2C)c2ccccc2)c([N+](=O)[O-])c1 ZINC001196886862 873430158 /nfs/dbraw/zinc/43/01/58/873430158.db2.gz CGPVBOOBYPMYRG-KUVPCWQVSA-N 0 1 397.475 3.985 20 5 GHBDMN CCc1ccc([C@@H](NCC(C)(C)N2CCOCC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541550403 873849035 /nfs/dbraw/zinc/84/90/35/873849035.db2.gz XGQRPOIVYOHYHH-FQEVSTJZSA-N 0 1 387.480 3.540 20 5 GHBDMN O=C1CCCCN1[C@H]1CCCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000769342362 873986043 /nfs/dbraw/zinc/98/60/43/873986043.db2.gz LJHCWHYSDPSICS-SFHVURJKSA-N 0 1 383.448 3.832 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCO[C@@H](CCc2ccccc2)C1 ZINC000541703435 874144254 /nfs/dbraw/zinc/14/42/54/874144254.db2.gz HLLPTUHDTJNATQ-FQEVSTJZSA-N 0 1 397.475 3.565 20 5 GHBDMN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC(=Cc3ccccc3F)CC2)c1 ZINC000464794259 874523725 /nfs/dbraw/zinc/52/37/25/874523725.db2.gz QYCZZNGSUZKDMR-LJQANCHMSA-N 0 1 386.423 3.653 20 5 GHBDMN COc1ccc2c(c1)C[C@@H](C)N(C(=O)c1[nH]nc3ccc([N+](=O)[O-])cc31)[C@@H]2C ZINC000541953196 874626789 /nfs/dbraw/zinc/62/67/89/874626789.db2.gz BYNLLIVNQBQOEH-VXGBXAGGSA-N 0 1 380.404 3.628 20 5 GHBDMN COc1cccc(-c2noc([C@H](C)N[C@@H](C)Cc3ccccc3[N+](=O)[O-])n2)c1 ZINC000449279865 874665666 /nfs/dbraw/zinc/66/56/66/874665666.db2.gz UFDUEOGLOALJAD-KBPBESRZSA-N 0 1 382.420 3.935 20 5 GHBDMN C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)N1C[C@@H]2CCC[C@H]2C1 ZINC000464899720 874711053 /nfs/dbraw/zinc/71/10/53/874711053.db2.gz UCCLHLPJISATNW-SNPRPXQTSA-N 0 1 386.477 3.777 20 5 GHBDMN CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](CNCc2csc([N+](=O)[O-])c2)C1 ZINC000717017703 875173067 /nfs/dbraw/zinc/17/30/67/875173067.db2.gz YRKXZXDWBLAVET-LBPRGKRZSA-N 0 1 391.440 3.638 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N2CCC(c3cc4ccccc4[nH]3)CC2)c1[N+](=O)[O-] ZINC000771351166 875210985 /nfs/dbraw/zinc/21/09/85/875210985.db2.gz VJSTZGBXOLIQMQ-UHFFFAOYSA-N 0 1 381.436 3.942 20 5 GHBDMN CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2-c1cc([O-])cc([N+](=O)[O-])c1 ZINC001201224762 875586380 /nfs/dbraw/zinc/58/63/80/875586380.db2.gz UHFCBODAHSLAQC-UHFFFAOYSA-N 0 1 390.399 3.858 20 5 GHBDMN Cc1cc(CNC(=O)C(F)(F)F)cc(NC(=O)c2cc(C)cc([N+](=O)[O-])c2)c1 ZINC001272471032 875866385 /nfs/dbraw/zinc/86/63/85/875866385.db2.gz STHOGMXVGSFVKA-UHFFFAOYSA-N 0 1 395.337 3.642 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)Cc1ccc(Br)o1 ZINC000030217580 875937296 /nfs/dbraw/zinc/93/72/96/875937296.db2.gz DTAVKVLJZODTJN-UHFFFAOYSA-N 0 1 396.241 3.719 20 5 GHBDMN Cc1cc(N2C[C@H](c3ccccc3)[C@](F)(CO)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000450659637 876744165 /nfs/dbraw/zinc/74/41/65/876744165.db2.gz QWMAMCNFYNBCRX-WIYYLYMNSA-N 0 1 381.407 3.756 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@H](O)c1ccccc1Br ZINC000850475387 876953057 /nfs/dbraw/zinc/95/30/57/876953057.db2.gz WQURJYLRGGVEKK-MEDUHNTESA-N 0 1 395.253 3.750 20 5 GHBDMN Cn1c2ccc(CN3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)cc2sc1=O ZINC000195031773 883117413 /nfs/dbraw/zinc/11/74/13/883117413.db2.gz MUWCTJVKOMXIOV-UHFFFAOYSA-N 0 1 399.472 3.552 20 5 GHBDMN CN1CCN(C[C@@H](Nc2nc3ccccc3cc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000530543037 877997790 /nfs/dbraw/zinc/99/77/90/877997790.db2.gz QOLLQFNUUSRGAW-HXUWFJFHSA-N 0 1 391.475 3.544 20 5 GHBDMN C[C@@H](C(=O)c1c[nH]c2ncccc12)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451545203 878117611 /nfs/dbraw/zinc/11/76/11/878117611.db2.gz HAEPNSJHUKFHEF-HOCLYGCPSA-N 0 1 378.432 3.922 20 5 GHBDMN CCn1c2ccccc2nc1[C@H]1CCCN1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776591620 878298963 /nfs/dbraw/zinc/29/89/63/878298963.db2.gz LGKMAIMZPIRQCL-WOJBJXKFSA-N 0 1 380.448 3.835 20 5 GHBDMN COc1ccc(NC(=O)CCN2CC3(CCC3)[C@H]2c2ccco2)c([N+](=O)[O-])c1 ZINC000451842578 878593611 /nfs/dbraw/zinc/59/36/11/878593611.db2.gz FSHBMGHXQNEBKT-LJQANCHMSA-N 0 1 385.420 3.752 20 5 GHBDMN COc1ccc([C@@H](C)N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000538130458 878910892 /nfs/dbraw/zinc/91/08/92/878910892.db2.gz XSQIMXYVYFTBRR-VXGBXAGGSA-N 0 1 377.828 3.935 20 5 GHBDMN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000452175607 879043627 /nfs/dbraw/zinc/04/36/27/879043627.db2.gz UBTAHCFPVSXBKT-AWEZNQCLSA-N 0 1 377.510 3.652 20 5 GHBDMN COc1ccccc1C[C@H]1CCCN1Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853492226 879060186 /nfs/dbraw/zinc/06/01/86/879060186.db2.gz IIAYAXSKMYCYJA-QGZVFWFLSA-N 0 1 393.447 3.527 20 5 GHBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)CN(C)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000789595029 879102353 /nfs/dbraw/zinc/10/23/53/879102353.db2.gz QLJZEKUTQIFALU-RYEVTAHJSA-N 0 1 379.460 3.731 20 5 GHBDMN COc1cc(CN2CCC[C@@]3(CCCOC3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000531103882 879135291 /nfs/dbraw/zinc/13/52/91/879135291.db2.gz UFDZQUUOKKSHDG-GOSISDBHSA-N 0 1 386.395 3.597 20 5 GHBDMN CN(C[C@@H]1CCc2ccccc21)CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000853609765 879163968 /nfs/dbraw/zinc/16/39/68/879163968.db2.gz MGZJACMEBYACLP-RXVVDRJESA-N 0 1 379.460 3.530 20 5 GHBDMN CCN(CC)[C@H](CNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000520061900 879384890 /nfs/dbraw/zinc/38/48/90/879384890.db2.gz KASCOPCONFLTEM-RHSMWYFYSA-N 0 1 391.493 3.868 20 5 GHBDMN C[C@@]1(C(N)=O)CC[N@@H+](Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000475676576 879451985 /nfs/dbraw/zinc/45/19/85/879451985.db2.gz KFISCTQCCAWYOU-LJQANCHMSA-N 0 1 389.839 3.738 20 5 GHBDMN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1ccc(N2CCN(C)CC2)cc1 ZINC000093905587 912510552 /nfs/dbraw/zinc/51/05/52/912510552.db2.gz WPZUEBGPQLBPMO-UHFFFAOYSA-N 0 1 382.464 3.524 20 5 GHBDMN Cc1ccc2c(=O)c(C(=O)N3CCC[C@H](c4ccc([N+](=O)[O-])cc4)C3)c[n-]c2[nH+]1 ZINC000452869291 880133627 /nfs/dbraw/zinc/13/36/27/880133627.db2.gz IGVJFBMTVHNHHR-HNNXBMFYSA-N 0 1 392.415 3.572 20 5 GHBDMN C[C@H]1C[C@H](Nc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000520234074 880409077 /nfs/dbraw/zinc/40/90/77/880409077.db2.gz OCAZMVDEGRJYAP-MAUKXSAKSA-N 0 1 383.448 3.687 20 5 GHBDMN O=C(Nc1nc(-c2cc3ccccc3o2)n[nH]1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000792483289 881140416 /nfs/dbraw/zinc/14/04/16/881140416.db2.gz VRILHBFAQBZLKK-UHFFFAOYSA-N 0 1 399.313 3.857 20 5 GHBDMN O=[N+]([O-])c1cc(CN[C@@H](c2ccccc2)C2(CO)CCCC2)c2c(c1)COCO2 ZINC000453617029 881156754 /nfs/dbraw/zinc/15/67/54/881156754.db2.gz OVXOCGMESILXRH-NRFANRHFSA-N 0 1 398.459 3.845 20 5 GHBDMN COc1ccc(CN2CCC([C@H]3CCCCCN3C(C)=O)CC2)cc1[N+](=O)[O-] ZINC000609464616 883227044 /nfs/dbraw/zinc/22/70/44/883227044.db2.gz RRCXVBHPFHZKTH-LJQANCHMSA-N 0 1 389.496 3.607 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(N2CCCN(Cc3ccc(Cl)cc3)CC2)c1 ZINC000609495223 883258904 /nfs/dbraw/zinc/25/89/04/883258904.db2.gz VOMAWYQKUISTSZ-UHFFFAOYSA-N 0 1 375.856 3.969 20 5 GHBDMN CCOc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1OCC ZINC000609657778 883497167 /nfs/dbraw/zinc/49/71/67/883497167.db2.gz ACOFYFZYRLBXFR-UHFFFAOYSA-N 0 1 380.422 3.501 20 5 GHBDMN Cc1cc(S(=O)(=O)Nc2ccc3oc(C(C)C)nc3c2)ccc1[N+](=O)[O-] ZINC000609661401 883500939 /nfs/dbraw/zinc/50/09/39/883500939.db2.gz IKTICYQRCAPKMD-UHFFFAOYSA-N 0 1 375.406 3.969 20 5 GHBDMN C[C@H](c1ccccc1)[C@@H](CO)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000609708119 883566638 /nfs/dbraw/zinc/56/66/38/883566638.db2.gz HIJKGYBMCQWJIE-AUUYWEPGSA-N 0 1 383.473 3.973 20 5 GHBDMN COc1ccc(CN2CCCC[C@H]2CCNC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000805765174 884096144 /nfs/dbraw/zinc/09/61/44/884096144.db2.gz KFLHFHAPOBEWPQ-INIZCTEOSA-N 0 1 393.484 3.873 20 5 GHBDMN Cc1c(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cnc(Cl)c1Br ZINC000760450476 884113823 /nfs/dbraw/zinc/11/38/23/884113823.db2.gz LJXCNHNTOKBJTQ-UHFFFAOYSA-N 0 1 386.589 3.672 20 5 GHBDMN O=[N+]([O-])c1ccccc1/C=C\CN1CC[C@@H](c2nccc(C(F)(F)F)n2)C1 ZINC000897615984 884136102 /nfs/dbraw/zinc/13/61/02/884136102.db2.gz GMSFRRFGPAYGMM-PKXJPQMGSA-N 0 1 378.354 3.906 20 5 GHBDMN CC[C@H](NCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)[C@H](O)C(F)(F)F ZINC000498360000 884153027 /nfs/dbraw/zinc/15/30/27/884153027.db2.gz VWWWPSXACGORAJ-BBRMVZONSA-N 0 1 388.342 3.655 20 5 GHBDMN Cc1cc(C(=O)N2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)cc([N+](=O)[O-])c1 ZINC000127871927 884904521 /nfs/dbraw/zinc/90/45/21/884904521.db2.gz WDNATMUFOUVQIZ-QGZVFWFLSA-N 0 1 377.404 3.666 20 5 GHBDMN Cc1cc(C(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)cc([N+](=O)[O-])c1 ZINC000127871927 884904530 /nfs/dbraw/zinc/90/45/30/884904530.db2.gz WDNATMUFOUVQIZ-QGZVFWFLSA-N 0 1 377.404 3.666 20 5 GHBDMN C[C@H]1[C@@H](Cc2ccccc2)CCN1Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000747469305 886158102 /nfs/dbraw/zinc/15/81/02/886158102.db2.gz ZIXXLTYHVHDDRH-QFBILLFUSA-N 0 1 377.448 3.764 20 5 GHBDMN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])NC[C@@H]1CCN1Cc1ccccc1 ZINC001131287549 886328087 /nfs/dbraw/zinc/32/80/87/886328087.db2.gz KSJRGUOEOUOKIT-INIZCTEOSA-N 0 1 387.867 3.572 20 5 GHBDMN C[C@H](CCCC(F)(F)F)NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795953079 913106453 /nfs/dbraw/zinc/10/64/53/913106453.db2.gz MSCKCALDFJIXJU-SSDOTTSWSA-N 0 1 392.758 3.787 20 5 GHBDMN CC(C)(C(=O)OC[C@@H]1CCCN1Cc1ccco1)c1ccc([N+](=O)[O-])cc1F ZINC000763015543 887553899 /nfs/dbraw/zinc/55/38/99/887553899.db2.gz GPDXVLVBFJMMGH-HNNXBMFYSA-N 0 1 390.411 3.812 20 5 GHBDMN C[C@@]1(c2ccc(F)cc2)CCN(Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000794891182 888717618 /nfs/dbraw/zinc/71/76/18/888717618.db2.gz CXRCTCTZKPHEAI-HXUWFJFHSA-N 0 1 381.411 3.614 20 5 GHBDMN CCc1ccc([C@H](c2cccnc2)N(CC)C(=O)c2n[nH]c(C)c2[N+](=O)[O-])cc1 ZINC000496512525 888869687 /nfs/dbraw/zinc/86/96/87/888869687.db2.gz DVNLFROAJGDITJ-HXUWFJFHSA-N 0 1 393.447 3.835 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N2CCC(CCc3ccc(O)cc3)CC2)c1[N+](=O)[O-] ZINC000532759217 888895438 /nfs/dbraw/zinc/89/54/38/888895438.db2.gz CGKJWPHVKBNRKT-UHFFFAOYSA-N 0 1 386.452 3.632 20 5 GHBDMN CCc1nc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)n[nH]1 ZINC000496784098 889067006 /nfs/dbraw/zinc/06/70/06/889067006.db2.gz DOGQJVJQPMYACA-GFCCVEGCSA-N 0 1 397.460 3.918 20 5 GHBDMN O=c1[nH]c2ccccc2n1CCNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811483720 889634813 /nfs/dbraw/zinc/63/48/13/889634813.db2.gz NPTZMPXVRCSGGN-UHFFFAOYSA-N 0 1 381.219 3.747 20 5 GHBDMN Cc1cccc(OC[C@@H](O)CNCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])c1 ZINC000811476577 889664341 /nfs/dbraw/zinc/66/43/41/889664341.db2.gz WSBHDGVLPBRYMK-AWEZNQCLSA-N 0 1 385.247 3.740 20 5 GHBDMN Cc1cc(C(F)(F)F)ncc1NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000811711660 889889576 /nfs/dbraw/zinc/88/95/76/889889576.db2.gz OEHAVBLZKBSFSO-UHFFFAOYSA-N 0 1 395.746 3.771 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000533300258 890243377 /nfs/dbraw/zinc/24/33/77/890243377.db2.gz LSTRZIQGWQDORZ-ZDUSSCGKSA-N 0 1 391.855 3.758 20 5 GHBDMN NC(=O)c1ccc(CN2CCC[C@@H](c3nc4ccccc4s3)C2)c([N+](=O)[O-])c1 ZINC000533471532 890637646 /nfs/dbraw/zinc/63/76/46/890637646.db2.gz RWCFSSGDQWNNFC-OAHLLOKOSA-N 0 1 396.472 3.683 20 5 GHBDMN COc1cc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2SC)ccc1OCCO ZINC000872024409 891122732 /nfs/dbraw/zinc/12/27/32/891122732.db2.gz RPXXMVLQUBFWSV-CYBMUJFWSA-N 0 1 392.477 3.547 20 5 GHBDMN CSc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1ccccc1CS(C)(=O)=O ZINC000872040832 891130818 /nfs/dbraw/zinc/13/08/18/891130818.db2.gz NONFOYHLJUZYPA-ZDUSSCGKSA-N 0 1 394.518 3.712 20 5 GHBDMN CO[C@H](C)c1nsc(NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])n1 ZINC000813243549 891399258 /nfs/dbraw/zinc/39/92/58/891399258.db2.gz REYLTUMKQVMJIC-RXMQYKEDSA-N 0 1 377.209 3.713 20 5 GHBDMN O=C(NCCSc1ccc(Cl)cc1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000497508309 891761244 /nfs/dbraw/zinc/76/12/44/891761244.db2.gz YHUXQCBDZJJVHW-UHFFFAOYSA-N 0 1 376.825 3.647 20 5 GHBDMN CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1CNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000813787344 891971902 /nfs/dbraw/zinc/97/19/02/891971902.db2.gz CYKBPPFRFSBLPI-KBPBESRZSA-N 0 1 387.839 3.685 20 5 GHBDMN C[C@@H](NCc1ccc(Br)c([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 ZINC000237471520 892288421 /nfs/dbraw/zinc/28/84/21/892288421.db2.gz YBRJCNRVDUQPPR-SNVBAGLBSA-N 0 1 379.210 3.937 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2ccc(CNCc3ccccc3Cn3cncn3)o2)cc1 ZINC000508728032 893005861 /nfs/dbraw/zinc/00/58/61/893005861.db2.gz BDUFYKACOSXTQK-UHFFFAOYSA-N 0 1 389.415 3.784 20 5 GHBDMN CC(C)[C@H](CC(F)(F)F)NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815036478 893389385 /nfs/dbraw/zinc/38/93/85/893389385.db2.gz XAGMURWISDVEOT-VIFPVBQESA-N 0 1 392.758 3.643 20 5 GHBDMN C[C@H]1CN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[C@@H](C(F)(F)F)O1 ZINC000877822773 893834885 /nfs/dbraw/zinc/83/48/85/893834885.db2.gz ILNRSGCEKRWBON-LRDDRELGSA-N 0 1 398.385 3.537 20 5 GHBDMN CCC[C@@H](N[C@@H]1CCN(c2ccccc2OC)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000536845543 893921325 /nfs/dbraw/zinc/92/13/25/893921325.db2.gz LYDQGTMHYFUHHL-QZTJIDSGSA-N 0 1 383.448 3.840 20 5 GHBDMN C[C@H](Cc1cccc(F)c1)N(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000459773946 894176071 /nfs/dbraw/zinc/17/60/71/894176071.db2.gz VOOYJTFONPMONU-GFCCVEGCSA-N 0 1 379.819 3.889 20 5 GHBDMN C[C@H]1CC2(CN1Cc1nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o1)CCOCC2 ZINC000878770508 894593236 /nfs/dbraw/zinc/59/32/36/894593236.db2.gz YRNSEZQTEIUATO-LBPRGKRZSA-N 0 1 392.843 3.689 20 5 GHBDMN Cc1cc(NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000565034514 895358212 /nfs/dbraw/zinc/35/82/12/895358212.db2.gz HTZKXUQZUCFQPZ-FQEVSTJZSA-N 0 1 383.448 3.924 20 5 GHBDMN CC(C)(NCc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000880383879 895678582 /nfs/dbraw/zinc/67/85/82/895678582.db2.gz MVYGRSMRNOYGNO-UHFFFAOYSA-N 0 1 381.354 3.737 20 5 GHBDMN C[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccc(C(F)(F)F)nc1Cl ZINC000817873929 895943961 /nfs/dbraw/zinc/94/39/61/895943961.db2.gz AEAIZRDOSDKEIW-ZETCQYMHSA-N 0 1 389.717 3.859 20 5 GHBDMN O=[N+]([O-])c1cccc([C@H](O)CN[C@@H]2CSc3ccc(Br)cc32)c1 ZINC000819270503 896557547 /nfs/dbraw/zinc/55/75/47/896557547.db2.gz ASHWYJDKVAEEOJ-HUUCEWRRSA-N 0 1 395.278 3.827 20 5 GHBDMN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCc2nc(C3CCCCC3)[nH]c2C1 ZINC000819546162 896798424 /nfs/dbraw/zinc/79/84/24/896798424.db2.gz JVWOPUCNDGUNDY-OAHLLOKOSA-N 0 1 382.464 3.961 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2nc(CNC[C@]3(O)CCc4ccccc43)cs2)c1 ZINC000132023220 897640066 /nfs/dbraw/zinc/64/00/66/897640066.db2.gz OOOGAUYKPMUPKN-HXUWFJFHSA-N 0 1 381.457 3.642 20 5 GHBDMN Cc1cc(S(=O)(=O)Nc2ccc(F)cc2OC(F)F)cc([N+](=O)[O-])c1F ZINC000132410216 897782682 /nfs/dbraw/zinc/78/26/82/897782682.db2.gz FOIAEBKHDQBQIT-UHFFFAOYSA-N 0 1 394.302 3.584 20 5 GHBDMN CCc1[nH]nc(C(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)c1[N+](=O)[O-] ZINC000568675856 898027105 /nfs/dbraw/zinc/02/71/05/898027105.db2.gz DWQLYMIUOZYSOB-QGZVFWFLSA-N 0 1 376.416 3.668 20 5 GHBDMN O=C([O-])[C@]1(c2ccccc2)CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000569228615 898446592 /nfs/dbraw/zinc/44/65/92/898446592.db2.gz CXMTVPKJQVWKSO-GOSISDBHSA-N 0 1 394.349 3.842 20 5 GHBDMN O=C(Nc1cccc(-c2nnc[nH]2)c1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000114106993 899060601 /nfs/dbraw/zinc/06/06/01/899060601.db2.gz FYXJELHGAWEODG-UHFFFAOYSA-N 0 1 392.419 3.623 20 5 GHBDMN CC(C)c1csc([C@@H]2CCCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)n1 ZINC000332361809 899605315 /nfs/dbraw/zinc/60/53/15/899605315.db2.gz VBTYVUKCTBSPNW-GFCCVEGCSA-N 0 1 375.450 3.900 20 5 GHBDMN C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CCN1Cc1ccccc1 ZINC000156267899 899619277 /nfs/dbraw/zinc/61/92/77/899619277.db2.gz RZHPIHLPAQKQPL-HNNXBMFYSA-N 0 1 387.867 3.985 20 5 GHBDMN CSCc1n[nH]c(CNCc2ccc(-c3ccccc3[N+](=O)[O-])s2)n1 ZINC000886327725 900937270 /nfs/dbraw/zinc/93/72/70/900937270.db2.gz QKQGTKCHRHGFJA-UHFFFAOYSA-N 0 1 375.479 3.594 20 5 GHBDMN COc1ccc(C2CCN(Cn3cc(-c4ccc([N+](=O)[O-])cc4)cn3)CC2)nc1 ZINC000844712199 901190787 /nfs/dbraw/zinc/19/07/87/901190787.db2.gz QPVPOYVFMSDWLL-UHFFFAOYSA-N 0 1 393.447 3.699 20 5 GHBDMN CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](c2ccc(C)o2)N2CCCC2)c1 ZINC000263799185 902543162 /nfs/dbraw/zinc/54/31/62/902543162.db2.gz LPTRFOBCTACJNV-QGZVFWFLSA-N 0 1 389.477 3.785 20 5 GHBDMN C[C@H]1C[N@@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CC[C@H]1C(=O)[O-] ZINC000600798360 902932294 /nfs/dbraw/zinc/93/22/94/902932294.db2.gz ALNBZKCGHNBLCF-MAUKXSAKSA-N 0 1 383.448 3.905 20 5 GHBDMN Cn1cc([C@@H]2CN(Cc3cccc([N+](=O)[O-])c3Br)CC2(C)C)cn1 ZINC000846933835 903314652 /nfs/dbraw/zinc/31/46/52/903314652.db2.gz XQEZHQHGKKRZRM-AWEZNQCLSA-N 0 1 393.285 3.716 20 5 GHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC001146475808 903550682 /nfs/dbraw/zinc/55/06/82/903550682.db2.gz SXWKDZRTBXELGY-UHFFFAOYSA-N 0 1 396.230 3.570 20 5 GHBDMN Cc1c(CNS(=O)(=O)c2cccnc2[N+](=O)[O-])sc2ccc(Cl)cc12 ZINC000578212490 903618228 /nfs/dbraw/zinc/61/82/28/903618228.db2.gz MYMTUCDSBAWEJT-UHFFFAOYSA-N 0 1 397.865 3.645 20 5 GHBDMN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccc(Cl)cc1)N(C)C ZINC001148654139 904138116 /nfs/dbraw/zinc/13/81/16/904138116.db2.gz QQLXEIJUSGEADP-QGZVFWFLSA-N 0 1 379.819 3.728 20 5 GHBDMN CCCNC(=O)c1cccc(CN[C@H](C)c2ccc(OCC)c([N+](=O)[O-])c2)c1 ZINC000152978221 904316617 /nfs/dbraw/zinc/31/66/17/904316617.db2.gz WCYPVPLINXYKPN-OAHLLOKOSA-N 0 1 385.464 3.984 20 5 GHBDMN Cc1ccc(C(=O)N2CCN([C@@H]3CCc4ccc([N+](=O)[O-])cc4CC3)CC2)cc1 ZINC001172920517 905990415 /nfs/dbraw/zinc/99/04/15/905990415.db2.gz JYQCWTMAXGZLPK-OAQYLSRUSA-N 0 1 393.487 3.609 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C[C@@H](C)NCc2ccn(Cc3ccccc3)n2)c1F ZINC001173184462 906266381 /nfs/dbraw/zinc/26/63/81/906266381.db2.gz QGZIKOATXYEKAZ-OAHLLOKOSA-N 0 1 398.438 3.708 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CC[C@@H](Oc3cccc(C)n3)C2)c1F ZINC001173191491 906272700 /nfs/dbraw/zinc/27/27/00/906272700.db2.gz CNLPCENZEADORT-LSDHHAIUSA-N 0 1 389.427 3.530 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CCC3(CCC(=O)CC3)CC2)c1F ZINC001173191306 906274178 /nfs/dbraw/zinc/27/41/78/906274178.db2.gz BRBCSJQXGYPCKF-CQSZACIVSA-N 0 1 378.444 3.899 20 5 GHBDMN CCOc1cc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)ccc1OC(F)F ZINC000365943945 921260629 /nfs/dbraw/zinc/26/06/29/921260629.db2.gz AGNIOQRBTCGFKF-UHFFFAOYSA-N 0 1 396.394 3.629 20 5 GHBDMN COc1cc(C[N@H+]2CCS[C@H](C)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000192185122 907520130 /nfs/dbraw/zinc/52/01/30/907520130.db2.gz KJMDFLPUKJTOAH-LLVKDONJSA-N 0 1 376.425 3.575 20 5 GHBDMN COc1cc(CN2CCS[C@H](C)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000192185122 907520138 /nfs/dbraw/zinc/52/01/38/907520138.db2.gz KJMDFLPUKJTOAH-LLVKDONJSA-N 0 1 376.425 3.575 20 5 GHBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCC(Oc2ccc(C(F)(F)F)cn2)CC1 ZINC001176028723 907892935 /nfs/dbraw/zinc/89/29/35/907892935.db2.gz OZQCULQEAGOBCV-UHFFFAOYSA-N 0 1 397.353 3.758 20 5 GHBDMN CC(C)Oc1ccc([C@@H](C)NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC000195733058 909037133 /nfs/dbraw/zinc/03/71/33/909037133.db2.gz MNWVBJQOTJSMCG-GFCCVEGCSA-N 0 1 382.413 3.561 20 5 GHBDMN Cc1[nH]nc(C(=O)N2CCC[C@@H]2c2nc3ccccc3n2C(C)C)c1[N+](=O)[O-] ZINC000267274724 909434769 /nfs/dbraw/zinc/43/47/69/909434769.db2.gz WICPQFAKJJGVQK-OAHLLOKOSA-N 0 1 382.424 3.534 20 5 GHBDMN CCC[C@H](NCc1cccc(C(=O)N2CCOCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000268784785 910015967 /nfs/dbraw/zinc/01/59/67/910015967.db2.gz BVUSGJSBRMNSJJ-NRFANRHFSA-N 0 1 397.475 3.698 20 5 GHBDMN CCN(CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O)C1CCCCC1 ZINC000795399499 910207366 /nfs/dbraw/zinc/20/73/66/910207366.db2.gz FCGPNBNUNISPTH-UHFFFAOYSA-N 0 1 396.285 3.925 20 5 GHBDMN C[C@@H](C(=O)Nc1n[nH]c2nc(C(F)(F)F)ccc12)c1ccc([N+](=O)[O-])cc1F ZINC001181139313 910566650 /nfs/dbraw/zinc/56/66/50/910566650.db2.gz AFNHCDIRBPYVDV-SSDOTTSWSA-N 0 1 397.288 3.766 20 5 GHBDMN CCOc1ccc([C@@H](C)NCc2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-] ZINC000271065203 910771412 /nfs/dbraw/zinc/77/14/12/910771412.db2.gz CUHJRAYSFOIFII-CYBMUJFWSA-N 0 1 390.436 3.870 20 5 GHBDMN Cc1ccc2c(=O)c3cccc(CC(=O)Nc4cc(N(C)C)[nH]n4)c3oc2c1C ZINC001182509585 911818411 /nfs/dbraw/zinc/81/84/11/911818411.db2.gz YRRTZKFBBVIKEY-UHFFFAOYSA-N 0 1 390.443 3.533 20 5 GHBDMN O=C([O-])c1cnc(C2CC[NH+](Cc3cc([N+](=O)[O-])ccc3Cl)CC2)s1 ZINC000901929474 921738658 /nfs/dbraw/zinc/73/86/58/921738658.db2.gz CIWBNVJKBUUKHY-UHFFFAOYSA-N 0 1 381.841 3.783 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2ccc(CN3CCC(F)(F)[C@@H](CO)C3)o2)c(Cl)c1 ZINC000291319981 915098367 /nfs/dbraw/zinc/09/83/67/915098367.db2.gz SOCXRQPINVCYSM-LLVKDONJSA-N 0 1 386.782 3.958 20 5 GHBDMN CC(C)(C)OCCCN1CCN(c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC001187454291 915262171 /nfs/dbraw/zinc/26/21/71/915262171.db2.gz IEKMQGYWNKILBY-UHFFFAOYSA-N 0 1 389.418 3.941 20 5 GHBDMN Cc1cc(N2CC[C@]3(C2)CN(Cc2ccccc2)C[C@@H](C)O3)c(F)cc1[N+](=O)[O-] ZINC001187429932 915285814 /nfs/dbraw/zinc/28/58/14/915285814.db2.gz GLJKYLKWYMJWOG-VGOFRKELSA-N 0 1 399.466 3.912 20 5 GHBDMN O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1cccc(-c2nnc[nH]2)c1 ZINC000360622533 916237337 /nfs/dbraw/zinc/23/73/37/916237337.db2.gz WXDIWPNNKJLTGG-UHFFFAOYSA-N 0 1 395.422 3.579 20 5 GHBDMN C[C@@H](N[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)[C@H](C)CO ZINC000295800812 917507971 /nfs/dbraw/zinc/50/79/71/917507971.db2.gz SLTMXOVHJSXCEM-SNUQEOBHSA-N 0 1 391.855 3.535 20 5 GHBDMN CCc1ccc(C(=O)N2CCC(c3ncc(C(F)(F)F)[nH]3)CC2)cc1[N+](=O)[O-] ZINC000363170216 917860105 /nfs/dbraw/zinc/86/01/05/917860105.db2.gz DUJOWVWAPQYBSL-UHFFFAOYSA-N 0 1 396.369 3.919 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2nnc(CSc3nc(-c4ccccc4)n[nH]3)o2)cc1 ZINC000007471527 919301951 /nfs/dbraw/zinc/30/19/51/919301951.db2.gz NQBYSWJAUNBWJM-UHFFFAOYSA-N 0 1 380.389 3.722 20 5 GHBDMN O=C(Nc1cccc(-c2nnc[nH]2)c1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000114394920 919389843 /nfs/dbraw/zinc/38/98/43/919389843.db2.gz BJDNRESRCVPKIN-UHFFFAOYSA-N 0 1 392.400 3.756 20 5 GHBDMN COc1ccc(-c2ccc(CNCC[S@](=O)C(C)(C)C)o2)c([N+](=O)[O-])c1 ZINC000116920734 919524791 /nfs/dbraw/zinc/52/47/91/919524791.db2.gz YPFYIWOXGJSICE-AREMUKBSSA-N 0 1 380.466 3.500 20 5 GHBDMN Cc1cc(C)c([N+](=O)[O-])cc1NS(=O)(=O)c1cc2c(cc1Cl)CCC2=O ZINC000800831476 920504107 /nfs/dbraw/zinc/50/41/07/920504107.db2.gz VIBFTHCTYSEMJS-UHFFFAOYSA-N 0 1 394.836 3.795 20 5 GHBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCCN(c2ccccc2)CC1 ZINC000298762450 920896711 /nfs/dbraw/zinc/89/67/11/920896711.db2.gz DDODHXHYMZYCHO-MRXNPFEDSA-N 0 1 393.447 3.918 20 5 GHBDMN CCCCCCNC(=O)[C@@H]1CCCN(Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000748316203 923569151 /nfs/dbraw/zinc/56/91/51/923569151.db2.gz ACMSZEGCXGQYJH-QGZVFWFLSA-N 0 1 377.485 3.512 20 5 GHBDMN Cc1cc(C(=O)Nc2nc3ccc(C(F)(F)F)cc3[nH]2)c(N)c([N+](=O)[O-])c1 ZINC000749050873 923994656 /nfs/dbraw/zinc/99/46/56/923994656.db2.gz CQOJHXRAQWKNSX-UHFFFAOYSA-N 0 1 379.298 3.633 20 5 GHBDMN Cc1nn(CN(C)CCCOc2ccc(Cl)cc2)c2ncc([N+](=O)[O-])cc12 ZINC000749945014 927362260 /nfs/dbraw/zinc/36/22/60/927362260.db2.gz NTTLJZZFYAFZKI-UHFFFAOYSA-N 0 1 389.843 3.660 20 5 GHBDMN O=C(Nc1c[nH]nc1[C@@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1)C1CCCC1 ZINC000374806698 927542938 /nfs/dbraw/zinc/54/29/38/927542938.db2.gz NBFNXVYWEMWGTF-QGZVFWFLSA-N 0 1 397.479 3.826 20 5 GHBDMN CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1csc(Br)c1 ZINC000467199140 928815990 /nfs/dbraw/zinc/81/59/90/928815990.db2.gz XJFOIRMPAGRBNQ-UHFFFAOYSA-N 0 1 398.282 3.879 20 5 GHBDMN CCc1ccc([C@@H](NC[C@H]2CCCN2CCOC)c2ccc([N+](=O)[O-])cc2)o1 ZINC000544359192 929088844 /nfs/dbraw/zinc/08/88/44/929088844.db2.gz VZZKIJDJLVEMTI-NQIIRXRSSA-N 0 1 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OSQYKJFFCVPOJA-UHFFFAOYSA-N 0 1 395.525 3.519 20 5 GHBDMN CC[C@@H](N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(OC)c(OC)c1 ZINC000506639308 850231099 /nfs/dbraw/zinc/23/10/99/850231099.db2.gz IZXZBDDXIUVWDT-CXAGYDPISA-N 0 1 387.436 3.680 20 5 GHBDMN C[N@H+]1CCC[C@@H](CN=c2[n-]c(-c3ccc([N+](=O)[O-])cc3)no2)[C@H]1c1cccs1 ZINC000486948394 850273954 /nfs/dbraw/zinc/27/39/54/850273954.db2.gz WZPDNJPKRDWCHO-YOEHRIQHSA-N 0 1 399.476 3.623 20 5 GHBDMN Cc1c(Br)cc(-c2nc(C3(N)CCCCC3)no2)cc1[N+](=O)[O-] ZINC000424347510 850377719 /nfs/dbraw/zinc/37/77/19/850377719.db2.gz RQNDRZWAKRKNFX-UHFFFAOYSA-N 0 1 381.230 3.834 20 5 GHBDMN O=[N+]([O-])c1cc(CN2CC[C@@H](c3nnc[nH]3)C2)ccc1Oc1ccc(F)cc1 ZINC000425361950 850432385 /nfs/dbraw/zinc/43/23/85/850432385.db2.gz YWINQBQAEMRSFX-CQSZACIVSA-N 0 1 383.383 3.634 20 5 GHBDMN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)c1n[nH]c([C@@H](C)CC)n1 ZINC000439935487 850607496 /nfs/dbraw/zinc/60/74/96/850607496.db2.gz UUEQJUPLZBDLOV-WDEREUQCSA-N 0 1 376.417 3.508 20 5 GHBDMN CN(C)[C@H](CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1ccccc1 ZINC000435815322 850873943 /nfs/dbraw/zinc/87/39/43/850873943.db2.gz CGFPMAOJKHGBTG-JOCHJYFZSA-N 0 1 385.467 3.714 20 5 GHBDMN O=C(Nc1cccc(CN2CCSCC2)c1)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000061571750 862191349 /nfs/dbraw/zinc/19/13/49/862191349.db2.gz DKPBBYSARHWPNO-UHFFFAOYSA-N 0 1 396.472 3.877 20 5 GHBDMN O=[N+]([O-])c1ccc(OC(F)F)c(NS(=O)(=O)c2ccc3c(c2)CCCC3)c1 ZINC000515635972 851280433 /nfs/dbraw/zinc/28/04/33/851280433.db2.gz UCADTLBWDDXBSD-UHFFFAOYSA-N 0 1 398.387 3.876 20 5 GHBDMN COc1ccc(CN2CCCN(C(=O)Nc3ccc([N+](=O)[O-])cc3C)CC2)cc1 ZINC000162970002 862229135 /nfs/dbraw/zinc/22/91/35/862229135.db2.gz RIKKHCDNXJLZCZ-UHFFFAOYSA-N 0 1 398.463 3.652 20 5 GHBDMN Cc1c(NC(=O)CCN(C)Cc2ccc(Br)o2)cccc1[N+](=O)[O-] ZINC000030217568 862229568 /nfs/dbraw/zinc/22/95/68/862229568.db2.gz KSQNHLFBTVMFKG-UHFFFAOYSA-N 0 1 396.241 3.719 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1 ZINC000436259269 851390854 /nfs/dbraw/zinc/39/08/54/851390854.db2.gz JDXDNGKINDQYKK-YHYVQYDKSA-N 0 1 381.476 3.549 20 5 GHBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000604521521 862244418 /nfs/dbraw/zinc/24/44/18/862244418.db2.gz OKKAMUQELLAVTM-AVRDEDQJSA-N 0 1 397.475 3.941 20 5 GHBDMN CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)cc1Cl ZINC000473771691 851912826 /nfs/dbraw/zinc/91/28/26/851912826.db2.gz FMGWYETUCSASMP-UHFFFAOYSA-N 0 1 397.840 3.624 20 5 GHBDMN COc1cc(CN[C@@H](c2ccc3c(c2)OCCO3)C2CC2)c([N+](=O)[O-])cc1F ZINC000184317396 852179089 /nfs/dbraw/zinc/17/90/89/852179089.db2.gz YHALIENEYSKDHP-HXUWFJFHSA-N 0 1 388.395 3.755 20 5 GHBDMN Cc1ccc([C@H](C)NC(=O)NC[C@@H](C)N2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000489327652 852233057 /nfs/dbraw/zinc/23/30/57/852233057.db2.gz YRAVMPRYRQTAOK-SJORKVTESA-N 0 1 396.491 3.710 20 5 GHBDMN CC(C)[C@H]1CN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CCN1C ZINC000489352025 852238352 /nfs/dbraw/zinc/23/83/52/852238352.db2.gz BKUIUSCOAWDAQS-OAQYLSRUSA-N 0 1 396.491 3.619 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CC[C@@H](c2ccccc2C)C1 ZINC000507202070 852651632 /nfs/dbraw/zinc/65/16/32/852651632.db2.gz GIODVJHETHUWRX-HZPDHXFCSA-N 0 1 383.448 3.728 20 5 GHBDMN O=[N+]([O-])c1cc2c(cc1CNCCOc1ccc(C(F)(F)F)cc1)OCCO2 ZINC000604532777 862391022 /nfs/dbraw/zinc/39/10/22/862391022.db2.gz HWTGKTZNGSRLJY-UHFFFAOYSA-N 0 1 398.337 3.553 20 5 GHBDMN C[C@@H]1CCC[N@@H+](Cc2ccccc2CNc2nccc(C(=O)[O-])c2[N+](=O)[O-])C1 ZINC000516653415 852842445 /nfs/dbraw/zinc/84/24/45/852842445.db2.gz CKYZPQGZQGNLJH-CQSZACIVSA-N 0 1 384.436 3.532 20 5 GHBDMN COc1ccc(S[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1 ZINC000490362837 852963503 /nfs/dbraw/zinc/96/35/03/852963503.db2.gz GRLRAHQDLCKRQI-NSHDSACASA-N 0 1 399.432 3.508 20 5 GHBDMN COC(=O)CCN(Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)CC(C)C ZINC000509564952 852969420 /nfs/dbraw/zinc/96/94/20/852969420.db2.gz RAYQVYXOOBZGDM-UHFFFAOYSA-N 0 1 377.466 3.739 20 5 GHBDMN COC(=O)c1cc(NC(=O)c2cc(-c3ccc(C)cc3C)n[nH]2)cc([N+](=O)[O-])c1 ZINC000427466322 853145919 /nfs/dbraw/zinc/14/59/19/853145919.db2.gz LGLBZOKPOALGGY-UHFFFAOYSA-N 0 1 394.387 3.641 20 5 GHBDMN Cc1nn(Cc2ccc(-c3nc([C@@H](N)CC(C)C)no3)cc2)c(C)c1[N+](=O)[O-] ZINC000516926168 853164493 /nfs/dbraw/zinc/16/44/93/853164493.db2.gz CIWFCXYVBUTTAL-INIZCTEOSA-N 0 1 384.440 3.552 20 5 GHBDMN Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000437476783 853179792 /nfs/dbraw/zinc/17/97/92/853179792.db2.gz FSFFCPDFSXUCCS-MGPUTAFESA-N 0 1 394.431 3.677 20 5 GHBDMN COc1cc(C=C(Cl)c2nc3c(C)cccc3c(=O)[nH]2)cc([N+](=O)[O-])c1O ZINC000229888504 862438218 /nfs/dbraw/zinc/43/82/18/862438218.db2.gz AHBALNZIAGDSHT-WUXMJOGZSA-N 0 1 387.779 3.591 20 5 GHBDMN O=[N+]([O-])c1ccc(CN(C[C@@H](O)COc2ccc(Cl)cc2)C2CC2)cc1 ZINC000490805447 853271683 /nfs/dbraw/zinc/27/16/83/853271683.db2.gz YDYWVVHIONZENR-GOSISDBHSA-N 0 1 376.840 3.653 20 5 GHBDMN Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2NCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000185942814 862477042 /nfs/dbraw/zinc/47/70/42/862477042.db2.gz WBHRNHLXIHPQIM-WOJBJXKFSA-N 0 1 388.489 3.778 20 5 GHBDMN COc1ccc(-c2n[nH]c(SCCCOc3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000054914089 853594668 /nfs/dbraw/zinc/59/46/68/853594668.db2.gz DVGIPIWZGLZFAJ-UHFFFAOYSA-N 0 1 386.433 3.950 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N2CCC(c3cccc(F)c3F)CC2)c1[N+](=O)[O-] ZINC000571016930 853685257 /nfs/dbraw/zinc/68/52/57/853685257.db2.gz PALHJJCJVJGKOR-UHFFFAOYSA-N 0 1 378.379 3.739 20 5 GHBDMN COc1ccc(CN2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000171587326 862497210 /nfs/dbraw/zinc/49/72/10/862497210.db2.gz VPKNIQMNZHZFQF-AWEZNQCLSA-N 0 1 393.484 3.729 20 5 GHBDMN Cc1ccc2nc(NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)[nH]c2c1 ZINC000571429104 853877608 /nfs/dbraw/zinc/87/76/08/853877608.db2.gz FAMYBBIRAHJUIV-UHFFFAOYSA-N 0 1 382.423 3.978 20 5 GHBDMN C[C@@H]1CN(CCCNC(=O)c2cc3ccccc3c3cccnc23)C[C@H](C)O1 ZINC000045065038 854170109 /nfs/dbraw/zinc/17/01/09/854170109.db2.gz RZXWDSHBEMGFFN-CALCHBBNSA-N 0 1 377.488 3.617 20 5 GHBDMN O=C(CN1C[C@@H]2CCC[C@@H]2C1)Nc1cc(N2C[C@@H]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000156813882 854348975 /nfs/dbraw/zinc/34/89/75/854348975.db2.gz NINBMRAWXRJKFC-USTZCAOPSA-N 0 1 398.507 3.502 20 5 GHBDMN O=C(Nc1cc(Cl)c(O)cc1F)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000554028634 855766282 /nfs/dbraw/zinc/76/62/82/855766282.db2.gz VGQLEYJOWMLSIR-UHFFFAOYSA-N 0 1 377.715 3.599 20 5 GHBDMN O=C(CCn1cc([N+](=O)[O-])cn1)Nc1ccc(-c2nc3ccc(F)cc3[nH]2)cc1 ZINC000520685166 856017007 /nfs/dbraw/zinc/01/70/07/856017007.db2.gz PEIOBWYNUXJLTN-UHFFFAOYSA-N 0 1 394.366 3.503 20 5 GHBDMN C[C@@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl ZINC000026712337 856216717 /nfs/dbraw/zinc/21/67/17/856216717.db2.gz QIYVUCGXETXWCI-RISCZKNCSA-N 0 1 385.247 3.992 20 5 GHBDMN COc1cc(S(=O)(=O)Nc2ccc(-c3ccncc3)c(C)c2)ccc1[N+](=O)[O-] ZINC000427646554 856431990 /nfs/dbraw/zinc/43/19/90/856431990.db2.gz RUMLCWUTVBJMQL-UHFFFAOYSA-N 0 1 399.428 3.775 20 5 GHBDMN CCc1cccc2c1OCC[C@H]2NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000507837935 856516116 /nfs/dbraw/zinc/51/61/16/856516116.db2.gz PRILLUSBDZSQCH-CQSZACIVSA-N 0 1 396.852 3.613 20 5 GHBDMN Cc1ccc(-c2n[nH]c(NC(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)c2C)o1 ZINC000123291778 856544780 /nfs/dbraw/zinc/54/47/80/856544780.db2.gz IQFYCOKVNHHPRV-UHFFFAOYSA-N 0 1 379.376 3.857 20 5 GHBDMN CCC[C@H](NC(=O)c1ccc(SCCC(C)C)c([N+](=O)[O-])c1)c1nn[nH]n1 ZINC000467652747 856664438 /nfs/dbraw/zinc/66/44/38/856664438.db2.gz GHKQXHURCCWRRE-ZDUSSCGKSA-N 0 1 392.485 3.517 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(Cc1ccccc1)[C@@H](CO)C1CCC1 ZINC000592139745 856689984 /nfs/dbraw/zinc/68/99/84/856689984.db2.gz QAYUNUJKKVLBSS-NRFANRHFSA-N 0 1 397.475 3.505 20 5 GHBDMN O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000173007423 856693493 /nfs/dbraw/zinc/69/34/93/856693493.db2.gz OXPVDYITUGFWHA-QFIPXVFZSA-N 0 1 386.411 3.919 20 5 GHBDMN COc1ccc([C@H](CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)N2CCCCC2)cc1 ZINC000027667232 857007097 /nfs/dbraw/zinc/00/70/97/857007097.db2.gz ZOMVOTLGQRQFEE-NRFANRHFSA-N 0 1 397.475 3.869 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC000485801017 857100977 /nfs/dbraw/zinc/10/09/77/857100977.db2.gz NNGMARGQIYYWPV-HNNXBMFYSA-N 0 1 385.439 3.998 20 5 GHBDMN O=C(N[C@H]1CCN(C2CC2)C1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000485941608 857233555 /nfs/dbraw/zinc/23/35/55/857233555.db2.gz BKIGQESLTWYBSN-AWEZNQCLSA-N 0 1 383.473 3.713 20 5 GHBDMN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2nnc[nH]2)cc1F ZINC001128588433 862890932 /nfs/dbraw/zinc/89/09/32/862890932.db2.gz FLWGKFGOWNQPSG-UHFFFAOYSA-N 0 1 387.396 3.883 20 5 GHBDMN COc1cc(-c2noc(-c3cc(O)cc([N+](=O)[O-])c3)n2)cc(Cl)c1OC ZINC000486062522 857379048 /nfs/dbraw/zinc/37/90/48/857379048.db2.gz LSYYXSLRSZIKSK-UHFFFAOYSA-N 0 1 377.740 3.688 20 5 GHBDMN O=[N+]([O-])c1ccc(N[C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)c(Cl)c1 ZINC000301737881 857477613 /nfs/dbraw/zinc/47/76/13/857477613.db2.gz VYRIKIGEBCEZRH-BEFAXECRSA-N 0 1 375.856 3.543 20 5 GHBDMN CC[C@@H](N[C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccccc1OCC(=O)N(C)C ZINC000594502074 858194280 /nfs/dbraw/zinc/19/42/80/858194280.db2.gz COPZAOSYUKSWKR-RTBURBONSA-N 0 1 397.475 3.790 20 5 GHBDMN CC[C@@H](NCc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)c1ccccc1F ZINC000594512064 858205050 /nfs/dbraw/zinc/20/50/50/858205050.db2.gz SXJRLUGDJXJDFR-MRXNPFEDSA-N 0 1 376.384 3.527 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H]1C[C@@H](OC(C)(C)C)[C@@H]1n1cccn1 ZINC000595043849 858377307 /nfs/dbraw/zinc/37/73/07/858377307.db2.gz ATVBLSGMZJTBGH-UONJOCPKSA-N 0 1 388.468 3.648 20 5 GHBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@H](N(C)c2ccccc2)C1 ZINC000595829803 858702476 /nfs/dbraw/zinc/70/24/76/858702476.db2.gz YXDOCFZISPTKIZ-KXBFYZLASA-N 0 1 393.447 3.917 20 5 GHBDMN Cc1[nH]ncc1CCCNC(=O)c1cc([N+](=O)[O-])ccc1SCC(C)C ZINC000129870641 858931275 /nfs/dbraw/zinc/93/12/75/858931275.db2.gz OHYRKXPNRYQXBV-UHFFFAOYSA-N 0 1 376.482 3.737 20 5 GHBDMN COc1cc(CN2CCC[C@H](CSC)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000429292082 858949297 /nfs/dbraw/zinc/94/92/97/858949297.db2.gz HWUIAWATCMEIJR-LBPRGKRZSA-N 0 1 390.452 3.822 20 5 GHBDMN O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1cc(-c2cccs2)n[nH]1 ZINC000522348900 859119218 /nfs/dbraw/zinc/11/92/18/859119218.db2.gz IDCGCUNHKOKKSD-UHFFFAOYSA-N 0 1 380.389 3.689 20 5 GHBDMN CN(C)C(=O)N(C)[C@@H]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000597224600 859374906 /nfs/dbraw/zinc/37/49/06/859374906.db2.gz MCMYUDUFACGJOX-CQSZACIVSA-N 0 1 388.493 3.511 20 5 GHBDMN C[N@H+]1CCC[C@H](CNC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000129648300 859579888 /nfs/dbraw/zinc/57/98/88/859579888.db2.gz AMLCLAYEKDGOMH-PIGZYNQJSA-N 0 1 395.431 3.747 20 5 GHBDMN CC(C)CCSc1ccc(C(=O)N2CCC3(CN(C)C3)C2)cc1[N+](=O)[O-] ZINC000597572296 859646871 /nfs/dbraw/zinc/64/68/71/859646871.db2.gz OMGOUSCDYCUIFW-UHFFFAOYSA-N 0 1 377.510 3.511 20 5 GHBDMN COc1cc(CN2CC[C@H](c3ccco3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000611518491 859797129 /nfs/dbraw/zinc/79/71/29/859797129.db2.gz GKUYPBMRABYQCX-LBPRGKRZSA-N 0 1 382.363 3.830 20 5 GHBDMN CC(C)(C)OCc1cccc(CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)c1 ZINC000522426751 859797355 /nfs/dbraw/zinc/79/73/55/859797355.db2.gz TYCRJWXAHLKTQF-UHFFFAOYSA-N 0 1 382.420 3.716 20 5 GHBDMN COc1ccc(C[C@H](C)N2CCC[C@H]2CNC(=O)OC(C)(C)C)c([N+](=O)[O-])c1 ZINC001170346535 881469277 /nfs/dbraw/zinc/46/92/77/881469277.db2.gz OATBQNQWVKEDPM-HOCLYGCPSA-N 0 1 393.484 3.524 20 5 GHBDMN CCCCNC(=O)C1CCN(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602441197 860034289 /nfs/dbraw/zinc/03/42/89/860034289.db2.gz VWQXHSKFBCVZEA-UHFFFAOYSA-N 0 1 387.402 3.742 20 5 GHBDMN CC1(C)[C@H](NCc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)[C@@H]2CCCO[C@@H]21 ZINC001170387530 881503349 /nfs/dbraw/zinc/50/33/49/881503349.db2.gz UCESCIAHLUBWAL-MAZHCROVSA-N 0 1 392.843 3.591 20 5 GHBDMN CSc1ccc(C(=O)NCC(C)(C)N2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000025459651 860177117 /nfs/dbraw/zinc/17/71/17/860177117.db2.gz PSWJDTJCEVDCCD-UHFFFAOYSA-N 0 1 399.516 3.883 20 5 GHBDMN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNCc1cccc(N2CCOCC2)c1 ZINC000602675440 860192064 /nfs/dbraw/zinc/19/20/64/860192064.db2.gz KWMXDPPJFHLRGN-UHFFFAOYSA-N 0 1 395.381 3.740 20 5 GHBDMN Cn1cc(CN[C@H]2c3cccc(Br)c3CC2(C)C)c([N+](=O)[O-])n1 ZINC000602843291 860324712 /nfs/dbraw/zinc/32/47/12/860324712.db2.gz ZQQNBWYJFKLDBO-AWEZNQCLSA-N 0 1 379.258 3.504 20 5 GHBDMN Cc1csc(CC2(O)CCN([C@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)n1 ZINC000602891957 860347460 /nfs/dbraw/zinc/34/74/60/860347460.db2.gz FNFVJKZETDTRID-OAHLLOKOSA-N 0 1 375.494 3.799 20 5 GHBDMN COc1cc(C(=O)N2CCC[C@@H]2c2nc3ccc(C)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000155189220 860430368 /nfs/dbraw/zinc/43/03/68/860430368.db2.gz MWXIQHRYBBPRCK-QGZVFWFLSA-N 0 1 380.404 3.765 20 5 GHBDMN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN[C@H](C(F)F)C1CCCCC1 ZINC000598649172 860481801 /nfs/dbraw/zinc/48/18/01/860481801.db2.gz JECMUVNBNUALAK-INIZCTEOSA-N 0 1 383.395 3.696 20 5 GHBDMN CCSc1cccc(F)c1NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000484933714 860516090 /nfs/dbraw/zinc/51/60/90/860516090.db2.gz ICQPTWNHBTUPLH-UHFFFAOYSA-N 0 1 387.396 3.679 20 5 GHBDMN CN(C)[C@@H](CCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)C(F)(F)F ZINC000922751855 860546181 /nfs/dbraw/zinc/54/61/81/860546181.db2.gz IXSFGZUXWXDLBD-AWEZNQCLSA-N 0 1 388.415 3.691 20 5 GHBDMN C[C@@H](N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(OC(F)F)cc1 ZINC000125393865 860656407 /nfs/dbraw/zinc/65/64/07/860656407.db2.gz VABZLHQYOOBKNN-NEPJUHHUSA-N 0 1 379.363 3.874 20 5 GHBDMN C[C@@H](NCC(=O)N1CCC(Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000156278119 860734499 /nfs/dbraw/zinc/73/44/99/860734499.db2.gz MHEOMAYFROGZEA-QGZVFWFLSA-N 0 1 381.476 3.727 20 5 GHBDMN COc1cccc([C@@H](CNC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)N2CCCC2)c1 ZINC000603643382 860944364 /nfs/dbraw/zinc/94/43/64/860944364.db2.gz BBPFXDRRAMIAGW-HXUWFJFHSA-N 0 1 398.463 3.870 20 5 GHBDMN COc1ccc([C@H]2CCC[N@@H+]2Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])cc1OC ZINC000593733482 861082522 /nfs/dbraw/zinc/08/25/22/861082522.db2.gz UUVWKRYOEKCIMT-MRXNPFEDSA-N 0 1 386.404 3.647 20 5 GHBDMN COc1ccc([C@H]2CCC[N@H+]2Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])cc1OC ZINC000593733482 861082535 /nfs/dbraw/zinc/08/25/35/861082535.db2.gz UUVWKRYOEKCIMT-MRXNPFEDSA-N 0 1 386.404 3.647 20 5 GHBDMN Cc1cc2[nH]ncc2cc1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000481353499 861134487 /nfs/dbraw/zinc/13/44/87/861134487.db2.gz XHEWVDAVYBFLLY-UHFFFAOYSA-N 0 1 375.182 3.794 20 5 GHBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[NH+]2CCC(Oc3ccc(F)cc3F)CC2)c1 ZINC000593740481 861151133 /nfs/dbraw/zinc/15/11/33/861151133.db2.gz NOUBSVDFZSIFAH-UHFFFAOYSA-N 0 1 392.358 3.615 20 5 GHBDMN CC[C@@H](NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1cccc(Cl)c1 ZINC000182583875 863290889 /nfs/dbraw/zinc/29/08/89/863290889.db2.gz IEXONGCPRPFKPY-CYBMUJFWSA-N 0 1 391.811 3.656 20 5 GHBDMN C[C@@H](NCc1cc(Cl)ccc1N1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000499239054 881676587 /nfs/dbraw/zinc/67/65/87/881676587.db2.gz ZPVVYFQCAOHLLR-CQSZACIVSA-N 0 1 375.856 3.936 20 5 GHBDMN CC[C@@H](N[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1ccccc1F ZINC000594019580 863758821 /nfs/dbraw/zinc/75/88/21/863758821.db2.gz NVHLKGFJTGZOIE-MLGOLLRUSA-N 0 1 375.400 3.810 20 5 GHBDMN O=C(Nc1nc(C2CCC2)n[nH]1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000444308031 863853821 /nfs/dbraw/zinc/85/38/21/863853821.db2.gz GWWIVBANBXHLSF-UHFFFAOYSA-N 0 1 395.369 3.597 20 5 GHBDMN O=C(Nc1n[nH]c(C2CCC2)n1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000444308031 863853838 /nfs/dbraw/zinc/85/38/38/863853838.db2.gz GWWIVBANBXHLSF-UHFFFAOYSA-N 0 1 395.369 3.597 20 5 GHBDMN O=[N+]([O-])c1c(Br)cccc1N1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000856738891 881705303 /nfs/dbraw/zinc/70/53/03/881705303.db2.gz KFIOKVXCCMJBJN-NSHDSACASA-N 0 1 392.257 3.737 20 5 GHBDMN O=[N+]([O-])c1c(Br)cccc1N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000856738891 881705310 /nfs/dbraw/zinc/70/53/10/881705310.db2.gz KFIOKVXCCMJBJN-NSHDSACASA-N 0 1 392.257 3.737 20 5 GHBDMN CSc1cccc(C(=O)NCC(C)(C)N2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000186113633 864312996 /nfs/dbraw/zinc/31/29/96/864312996.db2.gz DNDPQIKMLJDXKB-UHFFFAOYSA-N 0 1 399.516 3.883 20 5 GHBDMN Cc1ccc([C@H](CN2CCOCC2)N[C@@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000480468409 864685478 /nfs/dbraw/zinc/68/54/78/864685478.db2.gz JIWWGMPOXAMLGY-RXVVDRJESA-N 0 1 383.492 3.936 20 5 GHBDMN O=C(O[C@H]1CCN(Cc2ccccc2)C1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000735220748 864689271 /nfs/dbraw/zinc/68/92/71/864689271.db2.gz DRMMOLJCVWFVNA-IBGZPJMESA-N 0 1 395.459 3.626 20 5 GHBDMN CCN(CC)[C@H](CNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)c1ccco1 ZINC000185133513 865347655 /nfs/dbraw/zinc/34/76/55/865347655.db2.gz UUGNOVSTWRLHNT-CXAGYDPISA-N 0 1 377.416 3.630 20 5 GHBDMN O=[N+]([O-])c1ccc([C@H](O)CN2CC(Cc3cccc(C(F)(F)F)c3)C2)cc1 ZINC000793000690 881868441 /nfs/dbraw/zinc/86/84/41/881868441.db2.gz ZYDPQPXNEBVPFR-GOSISDBHSA-N 0 1 380.366 3.822 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc(F)ccc1N1CCCCC1 ZINC000608886609 865816702 /nfs/dbraw/zinc/81/67/02/865816702.db2.gz BQKWGPZZSDSONN-UHFFFAOYSA-N 0 1 393.440 3.833 20 5 GHBDMN CN(Cc1cc(O)ccc1[N+](=O)[O-])[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000555315582 865866388 /nfs/dbraw/zinc/86/63/88/865866388.db2.gz LHEJVUFZZZBSJB-IRXDYDNUSA-N 0 1 383.231 3.697 20 5 GHBDMN O=[N+]([O-])c1cnccc1N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000608972588 865866931 /nfs/dbraw/zinc/86/69/31/865866931.db2.gz YYAIUMAOULHJSU-UHFFFAOYSA-N 0 1 380.370 3.721 20 5 GHBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000519890471 865877790 /nfs/dbraw/zinc/87/77/90/865877790.db2.gz BJFAGDBZYRKKMQ-ZBFHGGJFSA-N 0 1 378.425 3.739 20 5 GHBDMN Cc1noc(-c2ccccc2)c1NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000183347679 866638574 /nfs/dbraw/zinc/63/85/74/866638574.db2.gz IKNRUEHSOOVKSC-UHFFFAOYSA-N 0 1 387.417 3.976 20 5 GHBDMN C[C@H](c1ccccc1Br)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440487629 866961073 /nfs/dbraw/zinc/96/10/73/866961073.db2.gz LKLHDTWJSDACEI-CHWSQXEVSA-N 0 1 391.269 4.000 20 5 GHBDMN C[C@@H]1CN(Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)CC[C@H]1c1ccccc1 ZINC000742163304 867087556 /nfs/dbraw/zinc/08/75/56/867087556.db2.gz BLBOVEVQSAVOIV-OXQOHEQNSA-N 0 1 377.448 3.936 20 5 GHBDMN COc1ccc(NC(=O)CCN(C)Cc2cc(Cl)ccc2F)c([N+](=O)[O-])c1 ZINC000444704065 867089667 /nfs/dbraw/zinc/08/96/67/867089667.db2.gz UEINTKIJDPKMDJ-UHFFFAOYSA-N 0 1 395.818 3.857 20 5 GHBDMN Cc1cc(S(=O)(=O)Nc2ccc(F)c(C(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000523730528 867860376 /nfs/dbraw/zinc/86/03/76/867860376.db2.gz ZYPWOYOYQUGJIK-UHFFFAOYSA-N 0 1 378.303 3.862 20 5 GHBDMN C[C@@H](N[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C(=O)N1Cc2ccccc2C1 ZINC000479519464 867948867 /nfs/dbraw/zinc/94/88/67/867948867.db2.gz SZVHRYDAQMKYHC-VLIAUNLRSA-N 0 1 379.460 3.838 20 5 GHBDMN CC(C)(C)Oc1c(F)cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1F ZINC000543910462 868590884 /nfs/dbraw/zinc/59/08/84/868590884.db2.gz CKJTVNUYGMAVEB-UHFFFAOYSA-N 0 1 386.376 3.851 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(Cc2noc(-c3cc(-c4ccccc4)n[nH]3)n2)c1 ZINC000445584343 868670486 /nfs/dbraw/zinc/67/04/86/868670486.db2.gz QWIBPMOXBWVDAX-UHFFFAOYSA-N 0 1 377.360 3.634 20 5 GHBDMN CN1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[C@@H]1c1ccccc1 ZINC000535467468 868807582 /nfs/dbraw/zinc/80/75/82/868807582.db2.gz DPCAHUNOUWHPBE-SJORKVTESA-N 0 1 393.365 3.789 20 5 GHBDMN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000446092509 869395806 /nfs/dbraw/zinc/39/58/06/869395806.db2.gz VKWSGRAYGWXAIF-UHFFFAOYSA-N 0 1 391.431 3.708 20 5 GHBDMN CC(C)C(=O)NCCN(C)Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000538802401 870694105 /nfs/dbraw/zinc/69/41/05/870694105.db2.gz VLCYTYIBXPURPF-UHFFFAOYSA-N 0 1 384.480 3.567 20 5 GHBDMN CC(C)(C)OC(=O)N1CCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@@H]1c1ccccc1 ZINC001169038385 871117189 /nfs/dbraw/zinc/11/71/89/871117189.db2.gz YJVQAKITZFHCRB-QXAKKESOSA-N 0 1 389.496 3.726 20 5 GHBDMN CC(C)(C)OC(=O)N1CCN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@H]1c1ccccc1 ZINC001169050039 871132035 /nfs/dbraw/zinc/13/20/35/871132035.db2.gz YJVQAKITZFHCRB-NEWSRXKRSA-N 0 1 389.496 3.726 20 5 GHBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2C[C@@H](C)N(C)[C@@H](C)C2)cc1OC ZINC001194747168 871905850 /nfs/dbraw/zinc/90/58/50/871905850.db2.gz ZOTUECHXQTWHGR-HRCADAONSA-N 0 1 379.501 3.553 20 5 GHBDMN CC(C)(CO)[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000429722014 872011892 /nfs/dbraw/zinc/01/18/92/872011892.db2.gz SBYYHGAZGVBWHT-GOSISDBHSA-N 0 1 391.855 3.536 20 5 GHBDMN CN(C)[C@H]1CCOc2c(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cccc21 ZINC000447720010 872202554 /nfs/dbraw/zinc/20/25/54/872202554.db2.gz ALJHCBPJCVGWCJ-INIZCTEOSA-N 0 1 375.812 3.886 20 5 GHBDMN CN(C)[C@@H]1CCOc2c(NC(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)cccc21 ZINC000447722773 872210870 /nfs/dbraw/zinc/21/08/70/872210870.db2.gz KZWQUVRXKQMPBF-GOSISDBHSA-N 0 1 380.404 3.714 20 5 GHBDMN COc1ccc(Cn2nc(C)c(CNCc3ccc([N+](=O)[O-])cc3)c2C)cc1 ZINC000463732296 872434684 /nfs/dbraw/zinc/43/46/84/872434684.db2.gz JQXNQVDKTIKTIN-UHFFFAOYSA-N 0 1 380.448 3.755 20 5 GHBDMN Cc1noc(-c2ccccc2)c1NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000463792276 872570613 /nfs/dbraw/zinc/57/06/13/872570613.db2.gz ZDQIKIHIFXNZPK-UHFFFAOYSA-N 0 1 387.417 3.976 20 5 GHBDMN CCOc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OCC)cc1C ZINC000619620486 872830910 /nfs/dbraw/zinc/83/09/10/872830910.db2.gz OGBGNMLJVUBGBF-UHFFFAOYSA-N 0 1 380.422 3.501 20 5 GHBDMN COc1ccc(NS(=O)(=O)c2cccc(Cl)c2Cl)cc1[N+](=O)[O-] ZINC000541073781 872854558 /nfs/dbraw/zinc/85/45/58/872854558.db2.gz BKSANVXBQRULPL-UHFFFAOYSA-N 0 1 377.205 3.711 20 5 GHBDMN Cc1c(CNC(=O)NC[C@@H](c2ccco2)N2CCCCC2)cccc1[N+](=O)[O-] ZINC000478452293 873045829 /nfs/dbraw/zinc/04/58/29/873045829.db2.gz UCDPDAOLVQJZOS-SFHVURJKSA-N 0 1 386.452 3.523 20 5 GHBDMN CN(C)c1nc2ccc(NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)cc2[nH]1 ZINC000619840331 873091865 /nfs/dbraw/zinc/09/18/65/873091865.db2.gz ZWYPPHXRVSFKPT-UHFFFAOYSA-N 0 1 385.399 3.593 20 5 GHBDMN CSc1ccc(C(=O)N(C)CCCN(C)Cc2ccco2)cc1[N+](=O)[O-] ZINC000552755147 873134238 /nfs/dbraw/zinc/13/42/38/873134238.db2.gz DOPXWFHNZSZLNX-UHFFFAOYSA-N 0 1 377.466 3.504 20 5 GHBDMN O=[N+]([O-])c1ccc(CN[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)c([N+](=O)[O-])c1 ZINC001196927366 873458010 /nfs/dbraw/zinc/45/80/10/873458010.db2.gz OUMUVIUJBRJCBJ-WBVHZDCISA-N 0 1 395.774 3.915 20 5 GHBDMN COc1ccccc1OCCN(C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000768823885 873607328 /nfs/dbraw/zinc/60/73/28/873607328.db2.gz RPBBXNBUFJESJU-UHFFFAOYSA-N 0 1 395.253 3.877 20 5 GHBDMN CC(C)(C)OC(=O)NC[C@@H]1CCCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000769119653 873820992 /nfs/dbraw/zinc/82/09/92/873820992.db2.gz DEZQOSVUHZVCDY-BJIFSAINSA-N 0 1 375.469 3.845 20 5 GHBDMN CN(C)[C@@H](CNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000448752216 873921116 /nfs/dbraw/zinc/92/11/16/873921116.db2.gz UMNRTHVLWCUPCT-INIZCTEOSA-N 0 1 399.344 3.785 20 5 GHBDMN C[C@@H](CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449012162 874358526 /nfs/dbraw/zinc/35/85/26/874358526.db2.gz ZCTABHNMEHREOG-HNNXBMFYSA-N 0 1 388.489 3.766 20 5 GHBDMN CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CCC[C@@H](COC)C2)cc1OC ZINC000541987162 874677456 /nfs/dbraw/zinc/67/74/56/874677456.db2.gz LXRBLPSWAMBEBD-HZPDHXFCSA-N 0 1 380.485 3.887 20 5 GHBDMN O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1NCc1ncc(C(F)(F)F)cn1 ZINC000449469556 874899102 /nfs/dbraw/zinc/89/91/02/874899102.db2.gz HZYZYNOZGVMFSC-WFASDCNBSA-N 0 1 380.370 3.905 20 5 GHBDMN COc1cc(CN2CCC[C@]3(CCSC3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000449731394 875298857 /nfs/dbraw/zinc/29/88/57/875298857.db2.gz IOFRAAIXEISEND-KRWDZBQOSA-N 0 1 388.436 3.924 20 5 GHBDMN CC[C@@H](NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)C(=O)NC ZINC000449783093 875388176 /nfs/dbraw/zinc/38/81/76/875388176.db2.gz ZMJQNNFHJJLZIE-CQSZACIVSA-N 0 1 377.828 3.655 20 5 GHBDMN O=[N+]([O-])c1ccc([C@@H](O)CN2CCN(Cc3cccc4ccccc43)CC2)cc1 ZINC000776271580 876125315 /nfs/dbraw/zinc/12/53/15/876125315.db2.gz MGKGDXBOCQXRDE-QHCPKHFHSA-N 0 1 391.471 3.599 20 5 GHBDMN Cc1nc(COc2ccc(CNC(C)(C)c3ccccc3[N+](=O)[O-])cc2)no1 ZINC000492228074 876455914 /nfs/dbraw/zinc/45/59/14/876455914.db2.gz TZSRIBWSECFXHT-UHFFFAOYSA-N 0 1 382.420 3.890 20 5 GHBDMN COc1ccc(-c2cc(C(=O)N(Cc3ccccc3[N+](=O)[O-])C3CC3)n[nH]2)cc1 ZINC000152332387 876714088 /nfs/dbraw/zinc/71/40/88/876714088.db2.gz BXGDTQWCPLTFHO-UHFFFAOYSA-N 0 1 392.415 3.798 20 5 GHBDMN CCc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000446986340 876735306 /nfs/dbraw/zinc/73/53/06/876735306.db2.gz FWRRBPDCIVMKRT-UHFFFAOYSA-N 0 1 385.239 3.721 20 5 GHBDMN CC[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1Cl)N1CCc2ccccc2C1 ZINC000858406995 883074211 /nfs/dbraw/zinc/07/42/11/883074211.db2.gz BASPWEDTCLRWNP-INIZCTEOSA-N 0 1 387.867 3.815 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@@H](O)c1ccccc1Br ZINC000850475385 876953612 /nfs/dbraw/zinc/95/36/12/876953612.db2.gz WQURJYLRGGVEKK-BDJLRTHQSA-N 0 1 395.253 3.750 20 5 GHBDMN COc1ccccc1COC1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000492663006 877289052 /nfs/dbraw/zinc/28/90/52/877289052.db2.gz ZMVGTYNUYIJNMU-UHFFFAOYSA-N 0 1 386.448 3.793 20 5 GHBDMN CCC(=O)c1cccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2NC(C)C)c1 ZINC000451095285 877361939 /nfs/dbraw/zinc/36/19/39/877361939.db2.gz KGHNIMASASYYEM-UHFFFAOYSA-N 0 1 391.449 3.809 20 5 GHBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC(Oc2cncc(Cl)n2)CC1 ZINC000787415275 877378038 /nfs/dbraw/zinc/37/80/38/877378038.db2.gz GMDHETXDEHZZKT-NTEUORMPSA-N 0 1 388.855 3.985 20 5 GHBDMN CCOc1cc(CN2CCC(C(=O)NC3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000492725214 877424899 /nfs/dbraw/zinc/42/48/99/877424899.db2.gz WQXWGJKGFFAVBD-UHFFFAOYSA-N 0 1 389.496 3.654 20 5 GHBDMN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000610121934 877435030 /nfs/dbraw/zinc/43/50/30/877435030.db2.gz JELBCDREAMLSLT-QGZVFWFLSA-N 0 1 399.516 3.810 20 5 GHBDMN CN(C)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc(Cl)cc1 ZINC000746693152 877494140 /nfs/dbraw/zinc/49/41/40/877494140.db2.gz BRXHCVHUMCMBBT-MRXNPFEDSA-N 0 1 382.247 3.934 20 5 GHBDMN COc1cc(CN2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)ccc1[N+](=O)[O-] ZINC000492849188 877637900 /nfs/dbraw/zinc/63/79/00/877637900.db2.gz AVUCJEYNMDLPHT-QGZVFWFLSA-N 0 1 379.420 3.726 20 5 GHBDMN COc1cc(CN2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)ccc1[N+](=O)[O-] ZINC000492849188 877637915 /nfs/dbraw/zinc/63/79/15/877637915.db2.gz AVUCJEYNMDLPHT-QGZVFWFLSA-N 0 1 379.420 3.726 20 5 GHBDMN Cc1cc(C(F)(F)F)ccc1CNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000615560515 877877416 /nfs/dbraw/zinc/87/74/16/877877416.db2.gz QGDRAFCRTKLLLD-UHFFFAOYSA-N 0 1 382.338 3.983 20 5 GHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCN(Cc2ccccc2)c2ccccc21 ZINC000477609550 877925698 /nfs/dbraw/zinc/92/56/98/877925698.db2.gz VYQDHXBZUVAXCW-UHFFFAOYSA-N 0 1 389.411 3.967 20 5 GHBDMN CN(Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000788460818 878081230 /nfs/dbraw/zinc/08/12/30/878081230.db2.gz INFKQLLQGSZHKS-MRXNPFEDSA-N 0 1 383.876 3.983 20 5 GHBDMN COc1cccc(-c2nc(C)c(C(=O)OCCc3ccccc3[N+](=O)[O-])[nH]2)c1 ZINC000179842117 878090779 /nfs/dbraw/zinc/09/07/79/878090779.db2.gz DWXNEGNDHJPYRP-UHFFFAOYSA-N 0 1 381.388 3.701 20 5 GHBDMN O=[N+]([O-])c1ccc([C@@H](O)CN2CCC(c3nc(-c4ccccc4)no3)CC2)cc1 ZINC000776582578 878165391 /nfs/dbraw/zinc/16/53/91/878165391.db2.gz VNBGHQXDKBIAIM-IBGZPJMESA-N 0 1 394.431 3.558 20 5 GHBDMN CCOc1ccc([C@@H](C)NCc2ccc(S(=O)(=O)CC)cc2)cc1[N+](=O)[O-] ZINC000179947369 878280806 /nfs/dbraw/zinc/28/08/06/878280806.db2.gz SOMBFWRURHLKGK-CQSZACIVSA-N 0 1 392.477 3.638 20 5 GHBDMN CC[C@H](N[C@@H]1CCN(CCCc2ccccc2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000537946623 878604804 /nfs/dbraw/zinc/60/48/04/878604804.db2.gz MNJROSOGWVWQSG-LEWJYISDSA-N 0 1 381.476 3.869 20 5 GHBDMN CN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CCN(CC(F)(F)F)CC1 ZINC000452032489 878857083 /nfs/dbraw/zinc/85/70/83/878857083.db2.gz NVKJEVCQCCUGPU-UHFFFAOYSA-N 0 1 398.385 3.708 20 5 GHBDMN COc1ccc(-c2ccc(CN[C@@H](CO)c3ccccc3C)o2)c([N+](=O)[O-])c1 ZINC000531096424 879108027 /nfs/dbraw/zinc/10/80/27/879108027.db2.gz MATRXSDGKCGGPX-IBGZPJMESA-N 0 1 382.416 3.995 20 5 GHBDMN O=C1[C@H](NCc2ccc([N+](=O)[O-])c(Cl)c2)CCN1CCCc1ccccc1 ZINC000761525354 879245232 /nfs/dbraw/zinc/24/52/32/879245232.db2.gz HKHSQOOMQMAWMP-GOSISDBHSA-N 0 1 387.867 3.572 20 5 GHBDMN O=C(Nc1nc(Cl)ccc1O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000790048432 879427273 /nfs/dbraw/zinc/42/72/73/879427273.db2.gz QWDRAAHTOCDYQG-UHFFFAOYSA-N 0 1 376.781 3.725 20 5 GHBDMN O=C(Nc1cccc([N+](=O)[O-])c1)c1cc(-c2ccc(Br)cc2)n[nH]1 ZINC000031334044 879443325 /nfs/dbraw/zinc/44/33/25/879443325.db2.gz GXEUTHIMGYHMGN-UHFFFAOYSA-N 0 1 387.193 4.000 20 5 GHBDMN Cc1nn(CCC(=O)O[C@H](C)c2nc3ccc(Cl)cc3[nH]2)c(C)c1[N+](=O)[O-] ZINC000111989327 879600854 /nfs/dbraw/zinc/60/08/54/879600854.db2.gz GYQHZDOCJNQDQP-LLVKDONJSA-N 0 1 391.815 3.632 20 5 GHBDMN Cc1cc([N+](=O)[O-])c(F)c(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)c1F ZINC000854483875 879844515 /nfs/dbraw/zinc/84/45/15/879844515.db2.gz JYMKHJYBTCYEJG-UKRRQHHQSA-N 0 1 389.402 3.574 20 5 GHBDMN CC1CCC(N(C[C@@H]2CCCO2)C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000461432882 879847129 /nfs/dbraw/zinc/84/71/29/879847129.db2.gz CIMCLGRJKYOJCH-XUJLQICISA-N 0 1 386.452 3.671 20 5 GHBDMN Cc1c(CN[C@H](C)c2ccc(S(=O)(=O)C(F)F)cc2)cccc1[N+](=O)[O-] ZINC000790696605 879932130 /nfs/dbraw/zinc/93/21/30/879932130.db2.gz UORQWMWNHRERTC-GFCCVEGCSA-N 0 1 384.404 3.750 20 5 GHBDMN COCc1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)c1 ZINC000791430658 880431817 /nfs/dbraw/zinc/43/18/17/880431817.db2.gz DDWRJLFPXUEVQF-UHFFFAOYSA-N 0 1 391.232 3.849 20 5 GHBDMN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1nc(-c2ccc(F)cc2)ns1 ZINC000791588917 880554441 /nfs/dbraw/zinc/55/44/41/880554441.db2.gz FQAJKKDLXODZFF-UHFFFAOYSA-N 0 1 388.380 3.903 20 5 GHBDMN CCCc1[nH]nc(C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)c1[N+](=O)[O-] ZINC000609456864 883247640 /nfs/dbraw/zinc/24/76/40/883247640.db2.gz NOTHDXOPFJPZIJ-LBPRGKRZSA-N 0 1 399.476 3.900 20 5 GHBDMN CN(c1ccccc1)c1ccc(CNCC(=O)NC2CCCCC2)cc1[N+](=O)[O-] ZINC000609544440 883337176 /nfs/dbraw/zinc/33/71/76/883337176.db2.gz BJHKUZYEWHHSDG-UHFFFAOYSA-N 0 1 396.491 3.901 20 5 GHBDMN CC(C)(C)OC(=O)N1CC[C@]2(C1)CCCN(Cc1cccc([N+](=O)[O-])c1)C2 ZINC000805794170 884081113 /nfs/dbraw/zinc/08/11/13/884081113.db2.gz QAZZADLILWYYQQ-HXUWFJFHSA-N 0 1 375.469 3.818 20 5 GHBDMN Cc1nc([C@H](C)NC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)n[nH]1 ZINC000476144923 884112250 /nfs/dbraw/zinc/11/22/50/884112250.db2.gz IZEIVOUNIZYDIV-NSHDSACASA-N 0 1 382.380 3.696 20 5 GHBDMN O=[N+]([O-])c1ccc(N2CCN(CCc3cccs3)CC2)c(OC(F)F)c1 ZINC000760499046 884460723 /nfs/dbraw/zinc/46/07/23/884460723.db2.gz JFXIFZUXILGYLP-UHFFFAOYSA-N 0 1 383.420 3.622 20 5 GHBDMN C[C@@]12CCCN1C[C@H](c1noc(-c3cc([N+](=O)[O-])ccc3C(F)(F)F)n1)OC2 ZINC000556341508 884501831 /nfs/dbraw/zinc/50/18/31/884501831.db2.gz UNWZHBXQAXKJRT-CJNGLKHVSA-N 0 1 398.341 3.589 20 5 GHBDMN Cc1ccc(Sc2ccc(CN[C@@H]3CCCCNC3=O)cc2[N+](=O)[O-])cc1 ZINC000237875357 884724104 /nfs/dbraw/zinc/72/41/04/884724104.db2.gz GXBRCLMKJAYDRN-QGZVFWFLSA-N 0 1 385.489 3.813 20 5 GHBDMN C[C@@H](CNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])[N@H+]1CCc2sccc2C1 ZINC000914787540 884792685 /nfs/dbraw/zinc/79/26/85/884792685.db2.gz SVHFOEGRXSGEAV-LQPUYASZSA-N 0 1 387.461 3.613 20 5 GHBDMN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1nc2ccc(F)cc2[nH]1 ZINC000556434337 884878050 /nfs/dbraw/zinc/87/80/50/884878050.db2.gz LMZHDGDLCNJHFK-UHFFFAOYSA-N 0 1 393.172 3.933 20 5 GHBDMN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(-c2ccccn2)n[nH]1 ZINC000537521609 885017765 /nfs/dbraw/zinc/01/77/65/885017765.db2.gz IAUMAWSMZIEYLV-UHFFFAOYSA-N 0 1 398.448 3.919 20 5 GHBDMN CC1(C)C[C@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C(C)(C)O1 ZINC000537564826 885397417 /nfs/dbraw/zinc/39/74/17/885397417.db2.gz JXXIIYNRAORZSQ-NSHDSACASA-N 0 1 397.280 3.526 20 5 GHBDMN CC[C@@H](NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(Cl)s1 ZINC000542555957 885673857 /nfs/dbraw/zinc/67/38/57/885673857.db2.gz IDLVYOKNUKPKGK-SECBINFHSA-N 0 1 397.840 3.718 20 5 GHBDMN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)CCc1ccc(F)cc1 ZINC000055022998 885982998 /nfs/dbraw/zinc/98/29/98/885982998.db2.gz QYZPIWQAOGBOIK-GFCCVEGCSA-N 0 1 379.819 3.889 20 5 GHBDMN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(Oc3cccnc3)cc2)cs1 ZINC000808125470 885998349 /nfs/dbraw/zinc/99/83/49/885998349.db2.gz AIEFHQPXPODSNZ-UHFFFAOYSA-N 0 1 377.403 3.644 20 5 GHBDMN CN(C)[C@@H](CNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000915308953 886300260 /nfs/dbraw/zinc/30/02/60/886300260.db2.gz BIDJJUUHFMKNFP-INIZCTEOSA-N 0 1 380.807 3.812 20 5 GHBDMN CN1CCN(C[C@H](Nc2ccc3ncccc3c2[N+](=O)[O-])c2ccccc2)CC1 ZINC000536537383 886846598 /nfs/dbraw/zinc/84/65/98/886846598.db2.gz NTJWMSMINJRXFW-NRFANRHFSA-N 0 1 391.475 3.544 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)CCSc1nc2ccc(C)cc2[nH]1 ZINC000026358984 887548332 /nfs/dbraw/zinc/54/83/32/887548332.db2.gz LUJJDROPRLOTJP-UHFFFAOYSA-N 0 1 386.433 3.909 20 5 GHBDMN COc1ccc(C[C@H](C)CN(C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1 ZINC000153313586 887587718 /nfs/dbraw/zinc/58/77/18/887587718.db2.gz BQPLOVDDOYHCFO-HNNXBMFYSA-N 0 1 396.447 3.964 20 5 GHBDMN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@H](c2ccccc2)c2ccc(F)cc2)c1 ZINC000532703195 888350523 /nfs/dbraw/zinc/35/05/23/888350523.db2.gz JRBMQJOHDBCUCV-IFMALSPDSA-N 0 1 396.418 3.853 20 5 GHBDMN CCc1nc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)n[nH]1 ZINC000496554703 888894017 /nfs/dbraw/zinc/89/40/17/888894017.db2.gz SGPGGUNZAOYRHO-LLVKDONJSA-N 0 1 377.470 3.514 20 5 GHBDMN C[C@H](CNCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)S(C)(=O)=O ZINC000532808762 888987812 /nfs/dbraw/zinc/98/78/12/888987812.db2.gz FKAADUZLMZBGGD-GFCCVEGCSA-N 0 1 398.868 3.563 20 5 GHBDMN O=C(Cc1ccccc1[N+](=O)[O-])NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000027344224 889207172 /nfs/dbraw/zinc/20/71/72/889207172.db2.gz VKJFRBQKNVDDRD-IBGZPJMESA-N 0 1 387.867 3.744 20 5 GHBDMN O=C(Cc1n[nH]c2c1CCCC2)OCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811189223 889277780 /nfs/dbraw/zinc/27/77/80/889277780.db2.gz OVMLDYRVUBDANK-UHFFFAOYSA-N 0 1 384.219 3.789 20 5 GHBDMN C[C@@H](N[C@@H](C)c1ccc(C(F)(F)F)nc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000871934505 891091344 /nfs/dbraw/zinc/09/13/44/891091344.db2.gz HRYYMQIUTWDXQJ-WDEREUQCSA-N 0 1 382.342 3.686 20 5 GHBDMN COc1ccc(CCCN(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000497457685 891655289 /nfs/dbraw/zinc/65/52/89/891655289.db2.gz PIJSBXFYYZOQES-UHFFFAOYSA-N 0 1 391.855 3.760 20 5 GHBDMN O=C(NCCc1nc2ccc(F)cc2[nH]1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000813467055 891664934 /nfs/dbraw/zinc/66/49/34/891664934.db2.gz BCYJMTWYEMEHPO-UHFFFAOYSA-N 0 1 397.193 3.890 20 5 GHBDMN Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000192497218 892599489 /nfs/dbraw/zinc/59/94/89/892599489.db2.gz SYTWQZKLTWSWEJ-MRXNPFEDSA-N 0 1 395.381 3.955 20 5 GHBDMN COc1ccc([C@@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C2CCC2)cc1 ZINC001134700207 893227097 /nfs/dbraw/zinc/22/70/97/893227097.db2.gz YCTCXLMOURUBHX-SFHVURJKSA-N 0 1 380.404 3.751 20 5 GHBDMN C[C@H](NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000814979482 893318853 /nfs/dbraw/zinc/31/88/53/893318853.db2.gz PSXOAXFTMZVNBS-ZETCQYMHSA-N 0 1 394.758 3.705 20 5 GHBDMN COc1ccc([C@H](C)N[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000774854950 913780198 /nfs/dbraw/zinc/78/01/98/913780198.db2.gz LOUYLGSRUNUHDX-NWDGAFQWSA-N 0 1 377.828 3.935 20 5 GHBDMN Cc1cc(NS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000536699787 893573141 /nfs/dbraw/zinc/57/31/41/893573141.db2.gz LKUXCOQMCULWAJ-UHFFFAOYSA-N 0 1 378.303 3.862 20 5 GHBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000459802942 894216830 /nfs/dbraw/zinc/21/68/30/894216830.db2.gz NGFVUYVUXWPYOG-DOPJRALCSA-N 0 1 386.452 3.579 20 5 GHBDMN COc1ccc([C@@H](CNC(=O)c2c(C)ccc([N+](=O)[O-])c2C)N2CCCC2)cc1 ZINC001135450161 894604909 /nfs/dbraw/zinc/60/49/09/894604909.db2.gz CIIZYMIKNGPMOR-HXUWFJFHSA-N 0 1 397.475 3.787 20 5 GHBDMN CCc1nc(COC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)n[nH]1 ZINC000760303237 895144928 /nfs/dbraw/zinc/14/49/28/895144928.db2.gz MTRBFHJTDZQNFE-UHFFFAOYSA-N 0 1 384.417 3.784 20 5 GHBDMN O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1Br ZINC000760340163 895225790 /nfs/dbraw/zinc/22/57/90/895225790.db2.gz XCFQYOOHGWTIIH-UHFFFAOYSA-N 0 1 391.630 3.812 20 5 GHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000565135540 895415229 /nfs/dbraw/zinc/41/52/29/895415229.db2.gz XZGVNOQNGVCAAI-INIZCTEOSA-N 0 1 378.837 3.961 20 5 GHBDMN C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@H](O)COc1ccc2ccccc2c1 ZINC000565849212 895929495 /nfs/dbraw/zinc/92/94/95/895929495.db2.gz UWVIXACDBHGRPC-FQEVSTJZSA-N 0 1 380.444 3.662 20 5 GHBDMN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1CC=C(c2ccc(O)cc2)CC1 ZINC001136153325 896231255 /nfs/dbraw/zinc/23/12/55/896231255.db2.gz BPZIMWXVIFPHAF-UHFFFAOYSA-N 0 1 390.399 3.620 20 5 GHBDMN CC(C)C(=O)Nc1cccc(NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)c1 ZINC001136176804 896310837 /nfs/dbraw/zinc/31/08/37/896310837.db2.gz LQHJVHOKXMDSCE-UHFFFAOYSA-N 0 1 393.403 3.832 20 5 GHBDMN C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)c3cccc([N+](=O)[O-])c3[O-])cc2)C1 ZINC001136252795 896879046 /nfs/dbraw/zinc/87/90/46/896879046.db2.gz PUOPVYRJTXPEBA-IYBDPMFKSA-N 0 1 397.475 3.708 20 5 GHBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]([C@@H](C)C(=O)[O-])C2CCC2)cc1OC ZINC000569260232 898480407 /nfs/dbraw/zinc/48/04/07/898480407.db2.gz OFWNNLIKQVEVDS-KBPBESRZSA-N 0 1 394.468 3.856 20 5 GHBDMN Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)c1cc(-c2ccc3c(c2)CCO3)no1 ZINC000800149158 898666222 /nfs/dbraw/zinc/66/62/22/898666222.db2.gz OCVRIEAIOUAJDC-UHFFFAOYSA-N 0 1 383.335 3.885 20 5 GHBDMN Cc1[nH]nc(C(=O)N2CC[C@@H](C)[C@@H]2c2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-] ZINC000331454559 898904622 /nfs/dbraw/zinc/90/46/22/898904622.db2.gz AECHXBCUFVNHGR-YMTOWFKASA-N 0 1 382.342 3.868 20 5 GHBDMN Cc1ccc(C)c([C@H]2CN(C(=O)c3n[nH]c(C(C)C)c3[N+](=O)[O-])[C@@H](C)CO2)c1 ZINC000331621060 899031206 /nfs/dbraw/zinc/03/12/06/899031206.db2.gz QFJAVYOYVMVMCR-GOEBONIOSA-N 0 1 386.452 3.660 20 5 GHBDMN CC(C)(C)N1CCc2nc(NC(=O)c3cc([N+](=O)[O-])ccc3F)sc2C1 ZINC000824076700 899382424 /nfs/dbraw/zinc/38/24/24/899382424.db2.gz ZGSWBRXEZDHXBM-UHFFFAOYSA-N 0 1 378.429 3.599 20 5 GHBDMN COc1cc(CN[C@H]2CCN(C)[C@H]2c2ccc(F)c(F)c2)c([N+](=O)[O-])cc1F ZINC000570640942 899463487 /nfs/dbraw/zinc/46/34/87/899463487.db2.gz FETITRQVQHOZOO-LPHOPBHVSA-N 0 1 395.381 3.556 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2ccc(CN3CC[C@@H](C(F)(F)F)[C@H](CO)C3)o2)c1 ZINC000289828540 914368697 /nfs/dbraw/zinc/36/86/97/914368697.db2.gz UFKZZUXBQDIBDK-XJKSGUPXSA-N 0 1 384.354 3.848 20 5 GHBDMN O=[N+]([O-])c1cc(CN2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)ccc1Br ZINC000824697065 899747182 /nfs/dbraw/zinc/74/71/82/899747182.db2.gz YJAWUYNJZYGFMK-LXZKKBNFSA-N 0 1 383.286 3.873 20 5 GHBDMN O=[N+]([O-])c1ncccc1CN[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC000886204379 900884793 /nfs/dbraw/zinc/88/47/93/900884793.db2.gz CUGKANPIXZXDCZ-QGZVFWFLSA-N 0 1 381.354 3.500 20 5 GHBDMN C[C@@H]1C[C@@]2(CC[C@H](CNCc3csc(-c4cccc([N+](=O)[O-])c4)n3)O2)CO1 ZINC000886333073 900939374 /nfs/dbraw/zinc/93/93/74/900939374.db2.gz CISLIRHTSLKIIC-XVSDVWIESA-N 0 1 389.477 3.535 20 5 GHBDMN O=C(Nc1cccc(CN2CCSCC2)c1)c1ccc(F)cc1[N+](=O)[O-] ZINC000125789534 902250927 /nfs/dbraw/zinc/25/09/27/902250927.db2.gz JAXPCXXZXLASPH-UHFFFAOYSA-N 0 1 375.425 3.535 20 5 GHBDMN Cc1c(CN2CCSCC2)cccc1NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000125795219 902252812 /nfs/dbraw/zinc/25/28/12/902252812.db2.gz ANYBABQRUKZMTD-UHFFFAOYSA-N 0 1 389.452 3.843 20 5 GHBDMN Cc1cc(N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000577876002 903299884 /nfs/dbraw/zinc/29/98/84/903299884.db2.gz JATNZIDWXZLMLW-CQSZACIVSA-N 0 1 384.436 3.518 20 5 GHBDMN O=C(c1ccc([N+](=O)[O-])cn1)N1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000577984648 903413354 /nfs/dbraw/zinc/41/33/54/903413354.db2.gz BUVICKZPSBPKGD-INIZCTEOSA-N 0 1 385.811 3.887 20 5 GHBDMN Cc1c(Nc2nc3sccn3c2[N+](=O)[O-])cnn1-c1ccc(F)cc1F ZINC001186881854 914851677 /nfs/dbraw/zinc/85/16/77/914851677.db2.gz WMZSYZJQBLCCOS-UHFFFAOYSA-N 0 1 376.348 3.820 20 5 GHBDMN CCc1cc2c(C[N@H+](C)CCc3cccc([N+](=O)[O-])c3)cc(=O)oc2cc1[O-] ZINC000801602010 921179967 /nfs/dbraw/zinc/17/99/67/921179967.db2.gz SSQDXXGHOLKBBV-UHFFFAOYSA-N 0 1 382.416 3.644 20 5 GHBDMN CCc1cc2c(C[N@@H+](C)CCc3cccc([N+](=O)[O-])c3)cc(=O)oc2cc1[O-] ZINC000801602010 921179975 /nfs/dbraw/zinc/17/99/75/921179975.db2.gz SSQDXXGHOLKBBV-UHFFFAOYSA-N 0 1 382.416 3.644 20 5 GHBDMN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CC2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC001173221967 906300276 /nfs/dbraw/zinc/30/02/76/906300276.db2.gz OAASGAIRYJSJJH-INIZCTEOSA-N 0 1 389.496 3.859 20 5 GHBDMN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC001173225016 906306986 /nfs/dbraw/zinc/30/69/86/906306986.db2.gz ATUCPXGOHZOAJN-CQSZACIVSA-N 0 1 394.397 3.762 20 5 GHBDMN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCN(c2ccc3ccccc3n2)CC1 ZINC001173233998 906320729 /nfs/dbraw/zinc/32/07/29/906320729.db2.gz NTSGBORDASEGSX-KRWDZBQOSA-N 0 1 376.460 3.896 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000192032063 907367186 /nfs/dbraw/zinc/36/71/86/907367186.db2.gz LAXPHKYOKICNIU-VQIMIIECSA-N 0 1 389.839 3.615 20 5 GHBDMN C[C@H](N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000192056534 907379864 /nfs/dbraw/zinc/37/98/64/907379864.db2.gz RVJPLWMBBMIJIK-JBBXEZCESA-N 0 1 389.839 3.695 20 5 GHBDMN CCC[C@@H](NCc1cnc(N2CCOCC2)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000185274021 907745639 /nfs/dbraw/zinc/74/56/39/907745639.db2.gz NYACAEIYMTVHOY-LJQANCHMSA-N 0 1 388.443 3.597 20 5 GHBDMN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000191348417 908614140 /nfs/dbraw/zinc/61/41/40/908614140.db2.gz WRBJROYJYUNZSF-CQSZACIVSA-N 0 1 384.440 3.619 20 5 GHBDMN COc1ccc(C(=O)N2CCC[C@@H](c3nc4ccc(C)cc4[nH]3)C2)cc1[N+](=O)[O-] ZINC000299537703 921425233 /nfs/dbraw/zinc/42/52/33/921425233.db2.gz IDVAQTKWVKYYSZ-OAHLLOKOSA-N 0 1 394.431 3.808 20 5 GHBDMN COc1ccccc1OCCCNCc1c(Br)cccc1[N+](=O)[O-] ZINC001177707554 908721590 /nfs/dbraw/zinc/72/15/90/908721590.db2.gz MYKJFSKCRVNZSV-UHFFFAOYSA-N 0 1 395.253 3.925 20 5 GHBDMN O=C(Nc1cccc(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c1)[C@@H]1CCCO1 ZINC000192731414 908817591 /nfs/dbraw/zinc/81/75/91/908817591.db2.gz HYHPPVWTDVWYOW-RTWAWAEBSA-N 0 1 395.459 3.880 20 5 GHBDMN CCOC(=O)[C@@]1(C(C)C)CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000194864134 908934491 /nfs/dbraw/zinc/93/44/91/908934491.db2.gz VWPJTQZGKGFGAY-FQEVSTJZSA-N 0 1 387.436 3.661 20 5 GHBDMN COC[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000901863705 921655614 /nfs/dbraw/zinc/65/56/14/921655614.db2.gz CDZNHPPMPQILMV-LJQANCHMSA-N 0 1 390.461 3.637 20 5 GHBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCO[C@H](c2cccc(Br)c2)C1 ZINC000092591866 911635746 /nfs/dbraw/zinc/63/57/46/911635746.db2.gz BAAQYGRDEGEYSF-KRWDZBQOSA-N 0 1 393.237 3.636 20 5 GHBDMN O=C(N[C@@H]1CCCN(c2ccccc2Cl)C1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000303956552 915322931 /nfs/dbraw/zinc/32/29/31/915322931.db2.gz VCTTWWUWZRZLKV-GFCCVEGCSA-N 0 1 399.838 3.523 20 5 GHBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@H](Cc2ccncc2)C1 ZINC000360341021 916070095 /nfs/dbraw/zinc/07/00/95/916070095.db2.gz BRKLQUHJWZRCJU-GDBMZVCRSA-N 0 1 379.420 3.665 20 5 GHBDMN CC[C@@H](NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])c1ccccc1F ZINC001191896772 918287382 /nfs/dbraw/zinc/28/73/82/918287382.db2.gz SKIJXYIASCBBRG-CYBMUJFWSA-N 0 1 390.795 3.956 20 5 GHBDMN O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CCC(c2nc[nH]n2)CC1 ZINC000363595318 918481034 /nfs/dbraw/zinc/48/10/34/918481034.db2.gz NNVRMYSJBOLALW-UHFFFAOYSA-N 0 1 393.403 3.525 20 5 GHBDMN CN(c1ccccc1)c1ccc(C[N@H+]2CC[C@H]3[C@@H](C2)[C@H]3C(=O)[O-])cc1[N+](=O)[O-] ZINC000902555000 922279131 /nfs/dbraw/zinc/27/91/31/922279131.db2.gz YLLYCWBJVFWKOJ-QKLQHJQFSA-N 0 1 381.432 3.515 20 5 GHBDMN COc1cc([C@@H](C)N[C@@H](C)c2ccc(N3CCNC3=O)cc2)cc([N+](=O)[O-])c1 ZINC000903192403 922843272 /nfs/dbraw/zinc/84/32/72/922843272.db2.gz MHJONDPWYKNIOA-UONOGXRCSA-N 0 1 384.436 3.545 20 5 GHBDMN O=C(N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)c1cccc(F)c1O ZINC001276046587 924823734 /nfs/dbraw/zinc/82/37/34/924823734.db2.gz XPXWRTJTWKOZFB-ZDUSSCGKSA-N 0 1 376.237 3.612 20 5 GHBDMN CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000410049791 925286142 /nfs/dbraw/zinc/28/61/42/925286142.db2.gz QBJCGZXVLXTBEL-KRWDZBQOSA-N 0 1 387.505 3.859 20 5 GHBDMN C[C@@H](Sc1n[nH]c(CCC2CCCC2)n1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000012104766 925996585 /nfs/dbraw/zinc/99/65/85/925996585.db2.gz PFWTZJZIEXLNBJ-GFCCVEGCSA-N 0 1 389.481 3.955 20 5 GHBDMN C[C@@H](Sc1nc(CCC2CCCC2)n[nH]1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000012104766 925996592 /nfs/dbraw/zinc/99/65/92/925996592.db2.gz PFWTZJZIEXLNBJ-GFCCVEGCSA-N 0 1 389.481 3.955 20 5 GHBDMN COc1ccc(NC(=O)CCN(C)[C@H](C)c2cc(F)ccc2F)c([N+](=O)[O-])c1 ZINC000411173146 926158393 /nfs/dbraw/zinc/15/83/93/926158393.db2.gz OSPHRHLRACLTEV-GFCCVEGCSA-N 0 1 393.390 3.903 20 5 GHBDMN CSc1ccc(OC[C@H](O)CNC(C)(C)c2ccccc2[N+](=O)[O-])cc1 ZINC000411758353 926744534 /nfs/dbraw/zinc/74/45/34/926744534.db2.gz NMUZFRLCABJLQZ-CQSZACIVSA-N 0 1 376.478 3.581 20 5 GHBDMN O=[N+]([O-])c1cc(CN2CCCC[C@H]2[C@@H](O)c2ccccc2)c2c(c1)COCO2 ZINC000726972385 926966598 /nfs/dbraw/zinc/96/65/98/926966598.db2.gz AOHFQDMBXVSYQD-PMACEKPBSA-N 0 1 384.432 3.549 20 5 GHBDMN COc1cccc(CN2CCC(Nc3c(F)cc([N+](=O)[O-])cc3F)CC2)c1 ZINC000749316123 927048388 /nfs/dbraw/zinc/04/83/88/927048388.db2.gz FVXIWRBWXJXVGK-UHFFFAOYSA-N 0 1 377.391 3.958 20 5 GHBDMN Cc1cc(Cl)c(S(=O)(=O)Nc2cccc(-n3cccn3)c2)cc1[N+](=O)[O-] ZINC000753066772 929187793 /nfs/dbraw/zinc/18/77/93/929187793.db2.gz VAEWHGPISUFYIE-UHFFFAOYSA-N 0 1 392.824 3.543 20 5 GHBDMN CCc1ccc([C@H](NCCc2nnc3ccccn32)c2ccc([N+](=O)[O-])cc2)o1 ZINC000753612761 929446258 /nfs/dbraw/zinc/44/62/58/929446258.db2.gz UBYBLNPIBWDFMY-OAQYLSRUSA-N 0 1 391.431 3.715 20 5 GHBDMN Cc1ccc(-c2n[nH]c(NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)n2)cc1 ZINC000547284408 930880958 /nfs/dbraw/zinc/88/09/58/930880958.db2.gz ZLTWBIBSLGXTGF-UHFFFAOYSA-N 0 1 383.383 3.744 20 5 GHBDMN Cc1ccc([C@@H]2C[C@@H](C)[N@H+](Cn3cc([N+](=O)[O-])c(-c4ccncc4)n3)C2)cc1 ZINC000782956100 931374388 /nfs/dbraw/zinc/37/43/88/931374388.db2.gz SWFFYYANTXMPLO-VQIMIIECSA-N 0 1 377.448 3.997 20 5 GHBDMN Cc1ccc([C@@H]2C[C@@H](C)N(Cn3cc([N+](=O)[O-])c(-c4ccncc4)n3)C2)cc1 ZINC000782956100 931374396 /nfs/dbraw/zinc/37/43/96/931374396.db2.gz SWFFYYANTXMPLO-VQIMIIECSA-N 0 1 377.448 3.997 20 5 GHBDMN COC(=O)Nc1ccc(NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)cc1 ZINC000783816458 931666387 /nfs/dbraw/zinc/66/63/87/931666387.db2.gz MKTANOMIYOWRSI-UHFFFAOYSA-N 0 1 399.812 3.536 20 5 GHBDMN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)CCCN(C)Cc1ccco1 ZINC000557770952 931674976 /nfs/dbraw/zinc/67/49/76/931674976.db2.gz RDYGVFPJIMFUCU-UHFFFAOYSA-N 0 1 379.844 3.744 20 5 GHBDMN O=[N+]([O-])c1ccc2[nH]c(N3CCCN(Cc4sccc4Cl)CC3)nc2c1 ZINC000558855104 932275958 /nfs/dbraw/zinc/27/59/58/932275958.db2.gz RMEJJCYFTXSVBI-UHFFFAOYSA-N 0 1 391.884 3.898 20 5 GHBDMN O=[N+]([O-])c1cc(CNCc2ccc(-n3cncn3)c(F)c2)cc(C(F)(F)F)c1 ZINC000558961217 932340017 /nfs/dbraw/zinc/34/00/17/932340017.db2.gz ABOBVMKOUFIWQN-UHFFFAOYSA-N 0 1 395.316 3.623 20 5 GHBDMN C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCN2Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000799155722 932890181 /nfs/dbraw/zinc/89/01/81/932890181.db2.gz JVUBEPNLUJJAAN-QVDUIBETSA-N 0 1 392.887 3.817 20 5 GHBDMN Cn1ccnc1C[C@H]1CCCN(Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC001117993480 934074123 /nfs/dbraw/zinc/07/41/23/934074123.db2.gz XKWBKJMPDYLQOC-CYBMUJFWSA-N 0 1 393.285 3.546 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2cnn(CN3CCCN(c4ccccc4)CC3)c2)c1 ZINC000777953161 934360872 /nfs/dbraw/zinc/36/08/72/934360872.db2.gz BTPYWMCDJIDACL-UHFFFAOYSA-N 0 1 377.448 3.628 20 5 GHBDMN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC000777953863 934369204 /nfs/dbraw/zinc/36/92/04/934369204.db2.gz AWMHPXFPXFZBHD-WMLDXEAASA-N 0 1 389.402 3.638 20 5 GHBDMN CC(C)c1cc([C@@H]2CCCN(C(=O)[C@@H]3C[C@@H]3c3cccc([N+](=O)[O-])c3)C2)n[nH]1 ZINC000828775671 935706203 /nfs/dbraw/zinc/70/62/03/935706203.db2.gz KHIFMZJGHBYQSG-KBAYOESNSA-N 0 1 382.464 3.951 20 5 GHBDMN O=[N+]([O-])c1ccccc1CN(Cc1ccc2c(c1)COC2)[C@H]1CC[C@H](O)CC1 ZINC000828818072 935719416 /nfs/dbraw/zinc/71/94/16/935719416.db2.gz ZPSLDYZSSPRDEH-MEMLXQNLSA-N 0 1 382.460 3.931 20 5 GHBDMN C[C@@](CO)([NH2+]Cc1ccc(-c2ccc(C(=O)[O-])cc2)o1)c1cccc([N+](=O)[O-])c1 ZINC001592750963 979317801 /nfs/dbraw/zinc/31/78/01/979317801.db2.gz QROYVAWDUXDLLN-NRFANRHFSA-N 0 1 396.399 3.550 20 5 GHBDMN O=C([O-])C[C@H]1CSCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000901984005 980664536 /nfs/dbraw/zinc/66/45/36/980664536.db2.gz XRCOQXNMYBUCNX-LBPRGKRZSA-N 0 1 396.852 3.900 20 5 GHBDMN O=[N+]([O-])c1cccc(Br)c1CNCCCn1cnc2ccccc21 ZINC001461003893 1069329963 /nfs/dbraw/zinc/32/99/63/1069329963.db2.gz AIDNEHNJIOQFSI-UHFFFAOYSA-N 0 1 389.253 3.887 20 5 GHBDMN CC(C)(O)CCN1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000545197225 1015644271 /nfs/dbraw/zinc/64/42/71/1015644271.db2.gz ZUXLVQDFRBTIQR-UHFFFAOYSA-N 0 1 389.521 3.602 20 5 GHBDMN C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H](C(=O)[O-])c1cccc(Br)c1 ZINC001598525342 992712743 /nfs/dbraw/zinc/71/27/43/992712743.db2.gz BRPHBKYWNZYGOB-HNNXBMFYSA-N 0 1 379.210 3.615 20 5 GHBDMN COc1cc(C(=O)Nc2cccc3c2OCC[C@H]3N(C)C)cc([N+](=O)[O-])c1C ZINC000469146414 1016556278 /nfs/dbraw/zinc/55/62/78/1016556278.db2.gz YUGWKLNESADTOU-MRXNPFEDSA-N 0 1 385.420 3.549 20 5 GHBDMN Cc1ccc(C(=O)c2cc(O)c(O[C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)c([N+](=O)[O-])c2)cc1 ZINC001227700121 1032521653 /nfs/dbraw/zinc/52/16/53/1032521653.db2.gz MMWJSVJYFINFIL-BCDXTJNWSA-N 0 1 396.443 3.844 20 5 GHBDMN Cc1ccc(C(=O)c2cc([O-])c(O[C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)c([N+](=O)[O-])c2)cc1 ZINC001227700121 1032521657 /nfs/dbraw/zinc/52/16/57/1032521657.db2.gz MMWJSVJYFINFIL-BCDXTJNWSA-N 0 1 396.443 3.844 20 5 GHBDMN Cc1ccc(C(=O)c2cc([O-])c(O[C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)c([N+](=O)[O-])c2)cc1 ZINC001227700121 1032521660 /nfs/dbraw/zinc/52/16/60/1032521660.db2.gz MMWJSVJYFINFIL-BCDXTJNWSA-N 0 1 396.443 3.844 20 5 GHBDMN CC[NH+](CC)C[C@H](C)Oc1c([O-])cc(C(=O)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC001227700388 1032522318 /nfs/dbraw/zinc/52/23/18/1032522318.db2.gz RTGDBWCTLBOKME-HNNXBMFYSA-N 0 1 386.448 3.949 20 5 GHBDMN Cn1cc(CN(Cc2ccc(Cl)cc2)Cc2cc(O)ccc2[N+](=O)[O-])cn1 ZINC000559188162 1017389548 /nfs/dbraw/zinc/38/95/48/1017389548.db2.gz WOQFDIPRVMRVJA-UHFFFAOYSA-N 0 1 386.839 3.890 20 5 GHBDMN Cc1cccc2nc(CNC(=O)c3c([N+](=O)[O-])cccc3C(F)(F)F)[nH]c21 ZINC000563914942 1018981432 /nfs/dbraw/zinc/98/14/32/1018981432.db2.gz JNOGVSWHECMFSC-UHFFFAOYSA-N 0 1 378.310 3.728 20 5 GHBDMN CCOC(=O)c1nc[nH]c1NC(=O)c1cc(=S)cc2[nH]c3ccccc3nc1-2 ZINC001155989674 1032824143 /nfs/dbraw/zinc/82/41/43/1032824143.db2.gz BCTJWKGPIUDJHI-UHFFFAOYSA-N 0 1 393.428 3.549 20 5 GHBDMN Cc1nc(C(F)(F)F)ccc1NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000800844570 1021342042 /nfs/dbraw/zinc/34/20/42/1021342042.db2.gz CDBZOBGDWUWISW-UHFFFAOYSA-N 0 1 395.746 3.771 20 5 GHBDMN O=c1[nH]c(C2CC2)nc(O[C@@H]2CCc3c2cccc3Br)c1[N+](=O)[O-] ZINC001228604276 1033002220 /nfs/dbraw/zinc/00/22/20/1033002220.db2.gz QFBJRYHXXQDHOH-GFCCVEGCSA-N 0 1 392.209 3.797 20 5 GHBDMN CC[C@@H](N[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1c(C)nn(C)c1C ZINC000754433118 1022703086 /nfs/dbraw/zinc/70/30/86/1022703086.db2.gz AFSWZERJTXOILF-IAQYHMDHSA-N 0 1 393.875 3.666 20 5 GHBDMN CCOc1cc(CN[C@@H](C)c2ccc(N3CCCC3=O)cc2)ccc1[N+](=O)[O-] ZINC000755047653 1023043736 /nfs/dbraw/zinc/04/37/36/1023043736.db2.gz IGEVDDRPIYXNDS-HNNXBMFYSA-N 0 1 383.448 3.971 20 5 GHBDMN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1ccc(C)o1)N1CCCC1 ZINC000755223030 1023138510 /nfs/dbraw/zinc/13/85/10/1023138510.db2.gz NIDPQMVUQGDDNO-ZDRDQBANSA-N 0 1 383.448 3.853 20 5 GHBDMN CC(C)Oc1cc(COc2nc(C(F)(F)F)cc(O)c2[N+](=O)[O-])cnc1F ZINC001228859954 1033143387 /nfs/dbraw/zinc/14/33/87/1033143387.db2.gz OOSIXBWLXAFXBT-UHFFFAOYSA-N 0 1 391.277 3.615 20 5 GHBDMN C/C(=C\C(=O)N(C)C1CCN(CCC(F)(F)F)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000837182876 1024196105 /nfs/dbraw/zinc/19/61/05/1024196105.db2.gz HKEGNEXUOLIBPO-BUHFOSPRSA-N 0 1 399.413 3.873 20 5 GHBDMN C[C@H](CC(F)(F)F)NS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000831122052 1024368200 /nfs/dbraw/zinc/36/82/00/1024368200.db2.gz ZRQJCECNCNOOFV-RXMQYKEDSA-N 0 1 381.159 3.521 20 5 GHBDMN CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837486691 1024496551 /nfs/dbraw/zinc/49/65/51/1024496551.db2.gz DDMVJQGOJURDNL-LBPRGKRZSA-N 0 1 384.392 3.682 20 5 GHBDMN CC(C)c1cc([C@@H]2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3N(C)C)C2)n[nH]1 ZINC000831919906 1025016470 /nfs/dbraw/zinc/01/64/70/1025016470.db2.gz SCIWHSXYHJWUHP-CQSZACIVSA-N 0 1 385.468 3.527 20 5 GHBDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)n[nH]1 ZINC001156832014 1033264276 /nfs/dbraw/zinc/26/42/76/1033264276.db2.gz KOQVRNRWVWGWCC-WDEREUQCSA-N 0 1 379.848 3.690 20 5 GHBDMN O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCC2(F)F)c1Cl ZINC000832186494 1025296902 /nfs/dbraw/zinc/29/69/02/1025296902.db2.gz DWWRRGRSBXEGFZ-ZETCQYMHSA-N 0 1 389.207 3.615 20 5 GHBDMN CC(C)(C)OC(=O)N1CC2(CC(NCc3cc([N+](=O)[O-])ccc3Cl)C2)C1 ZINC000838979238 1025496671 /nfs/dbraw/zinc/49/66/71/1025496671.db2.gz AQGPNESDRWKINP-UHFFFAOYSA-N 0 1 381.860 3.737 20 5 GHBDMN COC(=O)[C@](C)(Nc1cc2ccc(Cl)nc2cc1[N+](=O)[O-])C(F)(F)F ZINC001162259738 1025694073 /nfs/dbraw/zinc/69/40/73/1025694073.db2.gz CSZCDQZUYMLTGD-ZDUSSCGKSA-N 0 1 377.706 3.702 20 5 GHBDMN COc1cc(CN2CC[C@@H](Nc3cc(C)sc3[N+](=O)[O-])C2)cc(OC)c1 ZINC001162763210 1025910316 /nfs/dbraw/zinc/91/03/16/1025910316.db2.gz QZRLAPFQTQVGHD-CQSZACIVSA-N 0 1 377.466 3.668 20 5 GHBDMN O=[N+]([O-])c1cccc(CN2CCC[C@@H](C[C@H]3CCOC3)C2)c1Br ZINC000839537508 1026026701 /nfs/dbraw/zinc/02/67/01/1026026701.db2.gz XVEOKGYQQDELHZ-UONOGXRCSA-N 0 1 383.286 3.996 20 5 GHBDMN O=C(CN1CCCC[C@@H]1[C@H]1CCCC[C@H]1O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839589841 1026088923 /nfs/dbraw/zinc/08/89/23/1026088923.db2.gz OVYBKMCEKZBRCB-QGPMSJSTSA-N 0 1 395.887 3.592 20 5 GHBDMN O=[N+]([O-])c1ccc(N2CCO[C@H]3CCN(Cc4ccccc4)C[C@@H]32)c(Cl)c1 ZINC001163657432 1026269438 /nfs/dbraw/zinc/26/94/38/1026269438.db2.gz YZLZCWRYDIMAFB-PMACEKPBSA-N 0 1 387.867 3.728 20 5 GHBDMN Cc1c(Br)c(NC[C@H]2CCN2C2CCCCC2)ncc1[N+](=O)[O-] ZINC001163740087 1026299887 /nfs/dbraw/zinc/29/98/87/1026299887.db2.gz PFYHBUJIMJRPQA-CYBMUJFWSA-N 0 1 383.290 3.880 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2ccc(CNC[C@H](O)C(F)(F)C(F)(F)F)o2)c1 ZINC001203471371 1027363602 /nfs/dbraw/zinc/36/36/02/1027363602.db2.gz NMKDWUHEVYLLGD-ZDUSSCGKSA-N 0 1 380.269 3.503 20 5 GHBDMN CC[C@@H](N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)c1cccc([N+](=O)[O-])c1 ZINC000178677827 1028611867 /nfs/dbraw/zinc/61/18/67/1028611867.db2.gz LKQKQGOFEXLDIR-XJKSGUPXSA-N 0 1 386.408 3.879 20 5 GHBDMN CCN1CCN(c2ccc(Nc3c(F)ccc([N+](=O)[O-])c3F)cc2F)CC1 ZINC001215295294 1029136164 /nfs/dbraw/zinc/13/61/64/1029136164.db2.gz UXTQBRLOZVDQND-UHFFFAOYSA-N 0 1 380.370 3.898 20 5 GHBDMN CN1CCN(c2ccc(-c3noc(-c4cccc([N+](=O)[O-])c4Cl)n3)cc2)CC1 ZINC001215659436 1029331687 /nfs/dbraw/zinc/33/16/87/1029331687.db2.gz GJIBRZOQLGLURF-UHFFFAOYSA-N 0 1 399.838 3.717 20 5 GHBDMN O=[N+]([O-])c1cccc(F)c1-c1nc(-c2ncccc2/C=C/N2CCCC2)no1 ZINC001215718249 1029366393 /nfs/dbraw/zinc/36/63/93/1029366393.db2.gz LXIHZLYDOBQPBE-XYOKQWHBSA-N 0 1 381.367 3.912 20 5 GHBDMN CNc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C(=O)C(C)(C)C)cc1 ZINC000842585798 1029396274 /nfs/dbraw/zinc/39/62/74/1029396274.db2.gz FXHJWSIPKNZEDJ-UHFFFAOYSA-N 0 1 391.449 3.666 20 5 GHBDMN COc1cc([N+](=O)[O-])c(-c2nc(-c3cccc(OC(F)(F)F)c3)no2)cc1O ZINC001216343496 1029609974 /nfs/dbraw/zinc/60/99/74/1029609974.db2.gz GXLRXMQYBROQEC-UHFFFAOYSA-N 0 1 397.265 3.925 20 5 GHBDMN C[C@H](NC(=O)NCc1ccc(Nc2ccncc2)cc1)c1cccc([N+](=O)[O-])c1 ZINC001223870855 1030783878 /nfs/dbraw/zinc/78/38/78/1030783878.db2.gz VFHNBFUFVFTBID-HNNXBMFYSA-N 0 1 391.431 3.716 20 5 GHBDMN Cc1cc2cc3ccc(N(C)C)cc3nc2cc1NC(=O)C[C@H]1CNCC1(F)F ZINC001219210915 1031306445 /nfs/dbraw/zinc/30/64/45/1031306445.db2.gz OFZFSRUMSQMBQJ-INIZCTEOSA-N 0 1 398.457 3.946 20 5 GHBDMN C[C@H](Oc1nc2cccc(N3CCN(C)CC3)c2o1)c1ccccc1[N+](=O)[O-] ZINC001230103792 1033900071 /nfs/dbraw/zinc/90/00/71/1033900071.db2.gz OGJKMVGTGVGMTM-AWEZNQCLSA-N 0 1 382.420 3.628 20 5 GHBDMN CN1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O[C@H](C[N+](=O)[O-])C2CC2)c1-3 ZINC001230129733 1033913459 /nfs/dbraw/zinc/91/34/59/1033913459.db2.gz OWUZRKHZYGLLIW-IEBWSBKVSA-N 0 1 380.444 3.578 20 5 GHBDMN Cc1cccc2c1C[C@@H](NCc1cc(Br)c([N+](=O)[O-])s1)CO2 ZINC001206751832 1033969075 /nfs/dbraw/zinc/96/90/75/1033969075.db2.gz BKDSIDKQCGIYOB-SNVBAGLBSA-N 0 1 383.267 3.821 20 5 GHBDMN COC(=O)c1ccc(OC)c2c1CCN(C/C(C)=C/c1cccc([N+](=O)[O-])c1)C2 ZINC001207417144 1034352699 /nfs/dbraw/zinc/35/26/99/1034352699.db2.gz YTRWJHMCMPMXSF-RVDMUPIBSA-N 0 1 396.443 3.852 20 5 GHBDMN O=[N+]([O-])c1cc([N+](=O)[O-])c(O[C@@H]2CC[N@H+](Cc3ccc(Cl)cc3)C2)cc1[O-] ZINC001231222840 1034469401 /nfs/dbraw/zinc/46/94/01/1034469401.db2.gz BNDHJCASMZRCRE-CYBMUJFWSA-N 0 1 393.783 3.515 20 5 GHBDMN O=[N+]([O-])c1cc([N+](=O)[O-])c(O[C@@H]2CC[N@@H+](Cc3ccc(Cl)cc3)C2)cc1[O-] ZINC001231222840 1034469408 /nfs/dbraw/zinc/46/94/08/1034469408.db2.gz BNDHJCASMZRCRE-CYBMUJFWSA-N 0 1 393.783 3.515 20 5 GHBDMN Cc1cc(O)c([N+](=O)[O-])c(O[C@@H]2CCC[C@@]23CCN(C(=O)OC(C)(C)C)C3)n1 ZINC001231258793 1034489233 /nfs/dbraw/zinc/48/92/33/1034489233.db2.gz CNFUUPZXOUGCBR-KUHUBIRLSA-N 0 1 393.440 3.562 20 5 GHBDMN O=[N+]([O-])c1ccc(/C=C/c2nc(-c3ncccc3/C=C/N3CCCC3)no2)o1 ZINC001247230456 1038008739 /nfs/dbraw/zinc/00/87/39/1038008739.db2.gz LFHAULBZCDAKIQ-WWFUZLPXSA-N 0 1 379.376 3.870 20 5 GHBDMN O=[N+]([O-])c1ccc(N2CCCCC2)cc1O[C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001234368717 1039987949 /nfs/dbraw/zinc/98/79/49/1039987949.db2.gz NLPUKDBIJBQIJT-UAPYVXQJSA-N 0 1 389.496 3.607 20 5 GHBDMN NCc1nc2ccc(Cl)cc2n1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254465836 1040253156 /nfs/dbraw/zinc/25/31/56/1040253156.db2.gz MXFFFGFGWJKMCV-UHFFFAOYSA-N 0 1 385.855 3.898 20 5 GHBDMN C[C@@H](Cc1ccccc1[N+](=O)[O-])NC1(c2ccc(Br)cc2)COC1 ZINC001254538180 1040310007 /nfs/dbraw/zinc/31/00/07/1040310007.db2.gz QRIYFDQCWQLILK-ZDUSSCGKSA-N 0 1 391.265 3.804 20 5 GHBDMN CCOC[C@H]1CN([C@H](C)Cc2ccccc2[N+](=O)[O-])Cc2cnn(CC3CC3)c21 ZINC001254556389 1040326161 /nfs/dbraw/zinc/32/61/61/1040326161.db2.gz KRVLILHMUAFKGF-OXQOHEQNSA-N 0 1 398.507 3.768 20 5 GHBDMN CC(C)(C)OC(=O)N1CCC[C@@]2(CCN2[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254594348 1040367573 /nfs/dbraw/zinc/36/75/73/1040367573.db2.gz QBDVBAWNZWLKGH-WIYYLYMNSA-N 0 1 387.480 3.537 20 5 GHBDMN Cc1nc([C@H]2C[C@@H]3CCN([C@@H]4Cc5ccc([N+](=O)[O-])cc5C4)C[C@H]3O2)sc1C ZINC001254598285 1040371807 /nfs/dbraw/zinc/37/18/07/1040371807.db2.gz VRJYVDRZGUNEHF-YGWPLHOASA-N 0 1 399.516 3.987 20 5 GHBDMN O=C1CC2(CCN([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)Oc2ccc(F)cc21 ZINC001254608668 1040380312 /nfs/dbraw/zinc/38/03/12/1040380312.db2.gz RYZVRVUGYARPLX-GOSISDBHSA-N 0 1 396.418 3.701 20 5 GHBDMN COc1cc(N2CCC(N(C)Cc3cnc(Cl)s3)CC2)ccc1[N+](=O)[O-] ZINC001256093755 1041523887 /nfs/dbraw/zinc/52/38/87/1041523887.db2.gz PZHPXJUPSNMUQI-UHFFFAOYSA-N 0 1 396.900 3.814 20 5 GHBDMN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNCCn1ccc(C(F)(F)F)n1 ZINC001462556751 1070359136 /nfs/dbraw/zinc/35/91/36/1070359136.db2.gz VYLIRRWYLACOJY-UHFFFAOYSA-N 0 1 383.157 3.907 20 5 GHBDMN CC(C)(C)OC(=O)N1C[C@H](NCc2ccc([N+](=O)[O-])cc2Cl)C(C)(C)C1 ZINC001462615682 1070414878 /nfs/dbraw/zinc/41/48/78/1070414878.db2.gz GJPJFWBLXWQDJW-HNNXBMFYSA-N 0 1 383.876 3.983 20 5 GHBDMN CCc1c(NC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)[nH]nc1-c1ccncc1 ZINC001292820943 1043896366 /nfs/dbraw/zinc/89/63/66/1043896366.db2.gz XOQJQEREFIRBPU-IRXDYDNUSA-N 0 1 377.404 3.685 20 5 GHBDMN Cc1cc([N+](=O)[O-])c(C(=O)NCCc2nc3ccc(F)cc3[nH]2)cc1Cl ZINC001293999445 1044414224 /nfs/dbraw/zinc/41/42/24/1044414224.db2.gz COQBKJFBTCRKMN-UHFFFAOYSA-N 0 1 376.775 3.545 20 5 GHBDMN COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(F)c(F)c1O ZINC001299046269 1046003305 /nfs/dbraw/zinc/00/33/05/1046003305.db2.gz ALOACZXLPGZFQP-UHFFFAOYSA-N 0 1 384.360 3.569 20 5 GHBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c1 ZINC001261503618 1046012135 /nfs/dbraw/zinc/01/21/35/1046012135.db2.gz GGZPDWAHAXPPDQ-OAHLLOKOSA-N 0 1 394.431 3.637 20 5 GHBDMN C[C@@H](CCC(=O)Nc1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-])c1ccccc1 ZINC001463054801 1070760145 /nfs/dbraw/zinc/76/01/45/1070760145.db2.gz IAUZVILRVUOLBM-KRWDZBQOSA-N 0 1 396.491 3.869 20 5 GHBDMN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1CC[C@H](c2c(F)cccc2F)C1 ZINC001303458048 1047395311 /nfs/dbraw/zinc/39/53/11/1047395311.db2.gz YFCJJVQJAAKURC-ZDUSSCGKSA-N 0 1 398.369 3.893 20 5 GHBDMN CC[C@H](NCC(=O)N(CC(C)C)CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000611403369 1047506644 /nfs/dbraw/zinc/50/66/44/1047506644.db2.gz JAARXLRNDCKXJF-HNNXBMFYSA-N 0 1 375.391 3.682 20 5 GHBDMN O=C(N[C@H](Cc1ccccc1)c1ccccn1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001463221309 1070920512 /nfs/dbraw/zinc/92/05/12/1070920512.db2.gz HARVZWLJEVTZKO-LJQANCHMSA-N 0 1 387.399 3.580 20 5 GHBDMN C[C@@H](c1ccccc1)[C@@H](CO)NCc1cc([N+](=O)[O-])ccc1Br ZINC001307657136 1049481979 /nfs/dbraw/zinc/48/19/79/1049481979.db2.gz HOTIVAZHKWVFFH-YVEFUNNKSA-N 0 1 379.254 3.612 20 5 GHBDMN C[C@H]1CN(c2ccc(Cl)c(F)c2)CCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC001307821386 1049615668 /nfs/dbraw/zinc/61/56/68/1049615668.db2.gz ZKPBAULUILUJJL-LBPRGKRZSA-N 0 1 379.819 3.804 20 5 GHBDMN C[C@H](NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)[C@@H](O)C(F)(F)F ZINC001308488648 1049988054 /nfs/dbraw/zinc/98/80/54/1049988054.db2.gz PIFUKNHIVCEKQZ-MGPLVRAMSA-N 0 1 388.317 3.928 20 5 GHBDMN CCc1ccc(CN(Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C2CC2)cc1 ZINC001308661621 1050052020 /nfs/dbraw/zinc/05/20/20/1050052020.db2.gz BHKPNJKNLPPYCT-UHFFFAOYSA-N 0 1 398.459 3.874 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)NCCc2cc3ccccc3o2)c1 ZINC001309209698 1050475530 /nfs/dbraw/zinc/47/55/30/1050475530.db2.gz OIGCFGTZTCKLAC-UHFFFAOYSA-N 0 1 398.799 3.655 20 5 GHBDMN CC(C)[C@@](C)(Cc1ccc(Cl)cc1)NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC001475333240 1050942964 /nfs/dbraw/zinc/94/29/64/1050942964.db2.gz QFCXWKMFQKZJOL-QGZVFWFLSA-N 0 1 397.884 3.579 20 5 GHBDMN Cc1cccc(N(C)C(=O)Nc2cc(N3CCN(C)CC3)ccc2[N+](=O)[O-])c1C ZINC001311245499 1051963705 /nfs/dbraw/zinc/96/37/05/1051963705.db2.gz JVDBVNZRAMPPDS-UHFFFAOYSA-N 0 1 397.479 3.632 20 5 GHBDMN COc1ccc(CN2CCC([C@@H]3C(=O)Nc4ccccc43)CC2)cc1[N+](=O)[O-] ZINC001318172962 1054471756 /nfs/dbraw/zinc/47/17/56/1054471756.db2.gz HLTPTRWBSHXEOD-FQEVSTJZSA-N 0 1 381.432 3.551 20 5 GHBDMN Cc1nccn1-c1ccncc1NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC001318586184 1054734217 /nfs/dbraw/zinc/73/42/17/1054734217.db2.gz QDLZCCMDTYANJZ-GFCCVEGCSA-N 0 1 383.433 3.603 20 5 GHBDMN COc1ccc(C[C@@H](C)N(C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1 ZINC001319315214 1055177634 /nfs/dbraw/zinc/17/76/34/1055177634.db2.gz IYDDCZBIZJJMQP-CQSZACIVSA-N 0 1 382.420 3.716 20 5 GHBDMN O=C(CCN1CCC(C(=O)c2cccs2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC001319374008 1055210680 /nfs/dbraw/zinc/21/06/80/1055210680.db2.gz AWTLSDMYCREVEM-UHFFFAOYSA-N 0 1 387.461 3.580 20 5 GHBDMN Cc1cccc(CN2CCCC[C@H]2C(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1 ZINC001321941360 1056451007 /nfs/dbraw/zinc/45/10/07/1056451007.db2.gz JWTNIDCUZFYZGM-FQEVSTJZSA-N 0 1 379.460 3.847 20 5 GHBDMN CC(=O)c1ccc(N2CCC(c3cc(-c4ccncc4)[nH]n3)CC2)c([N+](=O)[O-])c1 ZINC000848718441 1057261704 /nfs/dbraw/zinc/26/17/04/1057261704.db2.gz JSRIMXKJWIXKRL-UHFFFAOYSA-N 0 1 391.431 3.967 20 5 GHBDMN O=[N+]([O-])c1ccc(CN[C@H]2CCc3ccccc3OC2)c(Br)c1 ZINC001327113577 1057600031 /nfs/dbraw/zinc/60/00/31/1057600031.db2.gz NMVYILQFGLZFGB-AWEZNQCLSA-N 0 1 377.238 3.841 20 5 GHBDMN CC(C)(NC(=O)c1cccc(Br)c1O)c1ccc([N+](=O)[O-])cc1 ZINC001445407875 1059523342 /nfs/dbraw/zinc/52/33/42/1059523342.db2.gz CMVKCZSGBDKHHM-UHFFFAOYSA-N 0 1 379.210 3.728 20 5 GHBDMN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCN(Cc2ccccc2)[C@H](C(C)C)C1 ZINC001453493878 1061142278 /nfs/dbraw/zinc/14/22/78/1061142278.db2.gz IICPYWGCPHCEIK-FQEVSTJZSA-N 0 1 381.476 3.886 20 5 GHBDMN Cc1cc([C@@H]2CCCCN2C(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])n[nH]1 ZINC001456382639 1062649014 /nfs/dbraw/zinc/64/90/14/1062649014.db2.gz LDSPSOJNHSOWNA-WFASDCNBSA-N 0 1 392.843 3.801 20 5 GHBDMN O=C(NC[C@H](c1ccco1)N1CCCCC1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001349251084 1063613784 /nfs/dbraw/zinc/61/37/84/1063613784.db2.gz RIXCZYDDIREFCE-CEXWTWQISA-N 0 1 383.448 3.635 20 5 GHBDMN CS[C@H]1CN(c2c(Cl)c(Cl)ccc2[N+](=O)[O-])C[C@H]1N1CCCC1 ZINC001458325007 1063745316 /nfs/dbraw/zinc/74/53/16/1063745316.db2.gz COHLMBBJRHUZFT-OLZOCXBDSA-N 0 1 376.309 3.918 20 5 GHBDMN CCOC(=O)c1cc([N+](=O)[O-])c(N2CCN([C@@H](C)c3ccccc3)CC2)cc1C ZINC001458563966 1063893603 /nfs/dbraw/zinc/89/36/03/1063893603.db2.gz OPTHYTMEZLNUET-KRWDZBQOSA-N 0 1 397.475 3.963 20 5 GHBDMN Cc1cc(Br)cc2c1CN(Cc1cc(O)ccc1[N+](=O)[O-])CC2 ZINC001459824970 1064233740 /nfs/dbraw/zinc/23/37/40/1064233740.db2.gz JHMBIYJFJNZEDM-UHFFFAOYSA-N 0 1 377.238 3.930 20 5 GHBDMN COCCN(Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)[C@@H]1CC[C@H](C)C1 ZINC001473436659 1067557604 /nfs/dbraw/zinc/55/76/04/1067557604.db2.gz VLETZYMMKOYBSL-GXTWGEPZSA-N 0 1 394.859 3.935 20 5 GHBDMN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(Br)cc1O ZINC001468658582 1067810668 /nfs/dbraw/zinc/81/06/68/1067810668.db2.gz ITLLJIOJXPCFTR-UHFFFAOYSA-N 0 1 381.182 3.714 20 5 GHBDMN C[C@@]1(Cc2cccc(F)c2)CCCN1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001460273839 1068901511 /nfs/dbraw/zinc/90/15/11/1068901511.db2.gz BPYCSKYHOQMPTH-QFIPXVFZSA-N 0 1 397.450 3.720 20 5 GHBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCCCC[C@H]2CO)cc1OC ZINC001460315495 1068921018 /nfs/dbraw/zinc/92/10/18/1068921018.db2.gz RWGBEFIVKJKOMH-RDJZCZTQSA-N 0 1 380.485 3.765 20 5 GHBDMN COc1ccc(CN2CC[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC001460880735 1069250296 /nfs/dbraw/zinc/25/02/96/1069250296.db2.gz LUAAYZSCXASFFB-ZBFHGGJFSA-N 0 1 393.484 3.586 20 5 GHBDMN C[C@@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC001470781337 1072736387 /nfs/dbraw/zinc/73/63/87/1072736387.db2.gz OPWMIMUYQGAFHV-OXQOHEQNSA-N 0 1 399.516 3.714 20 5 GHBDMN CCC(CC)[C@H](CNc1ccc([N+](=O)[O-])c(OC(F)F)c1)N1CCOCC1 ZINC001472651300 1073596905 /nfs/dbraw/zinc/59/69/05/1073596905.db2.gz YRCYBVDIYQLTPX-INIZCTEOSA-N 0 1 387.427 3.745 20 5 GHBDMN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001473154216 1073812822 /nfs/dbraw/zinc/81/28/22/1073812822.db2.gz RTUMLLSYPOTURU-KRWDZBQOSA-N 0 1 396.491 3.518 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@H](C2CCCCC2)C1 ZINC001473670863 1074077370 /nfs/dbraw/zinc/07/73/70/1074077370.db2.gz PXYVKEUELRWQPD-MRXNPFEDSA-N 0 1 375.469 3.834 20 5 GHBDMN COc1ccc([C@H](C)NCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])cc1C ZINC001473780465 1074138848 /nfs/dbraw/zinc/13/88/48/1074138848.db2.gz BZFGDFOVWUCIQU-LBPRGKRZSA-N 0 1 377.828 3.855 20 5 GHBDMN NC(=O)c1ccc(CN2CCC(c3ccc4[nH]ccc4c3)CC2)c([N+](=O)[O-])c1 ZINC001473861159 1074179011 /nfs/dbraw/zinc/17/90/11/1074179011.db2.gz PWDCRSHKMDTFOE-UHFFFAOYSA-N 0 1 378.432 3.555 20 5 GHBDMN CCC[C@@H](CCc1ccccc1)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC001475010179 1074681678 /nfs/dbraw/zinc/68/16/78/1074681678.db2.gz NXSPRWXCPJAXCS-HNNXBMFYSA-N 0 1 380.441 3.814 20 5 GHBDMN O=[N+]([O-])c1ccccc1CNCc1cccc(-c2ccc(-c3nn[nH]n3)s2)c1 ZINC000738370965 598887687 /nfs/dbraw/zinc/88/76/87/598887687.db2.gz YYPKIWRWZWJTOB-UHFFFAOYSA-N 0 1 392.444 3.793 20 5 GHBDMN CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000833420007 605549161 /nfs/dbraw/zinc/54/91/61/605549161.db2.gz NBOCYEHABNIHNJ-NSHDSACASA-N 0 1 385.258 3.680 20 5 GHBDMN O=[N+]([O-])c1ccccc1CNCc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000826499913 608311263 /nfs/dbraw/zinc/31/12/63/608311263.db2.gz DNBVAQFACKKYEC-UHFFFAOYSA-N 0 1 386.415 3.732 20 5 GHBDMN CC(C)N(C)Cc1cnc2n1CCN(c1ccc3c(cccc3[N+](=O)[O-])n1)[C@@H]2C ZINC001164857888 720956297 /nfs/dbraw/zinc/95/62/97/720956297.db2.gz HWBREXNVKMNMPC-OAHLLOKOSA-N 0 1 394.479 3.761 20 5 GHBDMN CCC(=O)Nc1ccc(C)c(NS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)c1 ZINC000414367959 837420724 /nfs/dbraw/zinc/42/07/24/837420724.db2.gz GERWRYCJDCCMTI-UHFFFAOYSA-N 0 1 391.449 3.669 20 5 GHBDMN Cc1cc(S(=O)(=O)Nc2cc(F)c(OC(C)C)c(F)c2)ccc1[N+](=O)[O-] ZINC000544097144 837430322 /nfs/dbraw/zinc/43/03/22/837430322.db2.gz MQYHQSHFNKJDAQ-UHFFFAOYSA-N 0 1 386.376 3.769 20 5 GHBDMN CCOc1ccc([C@H](C)N[C@@H]2CCN(c3ccccc3F)C2=O)cc1[N+](=O)[O-] ZINC000180770666 837517308 /nfs/dbraw/zinc/51/73/08/837517308.db2.gz NMIOOTPUIFGLJS-XJKSGUPXSA-N 0 1 387.411 3.589 20 5 GHBDMN CC(C)C(=O)NCCN(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000180836649 837599005 /nfs/dbraw/zinc/59/90/05/837599005.db2.gz VRPCYNVWPIRARE-UHFFFAOYSA-N 0 1 379.844 3.712 20 5 GHBDMN O=C(CCNCc1ccc(F)cc1Br)Nc1ccccc1[N+](=O)[O-] ZINC000548826141 834527104 /nfs/dbraw/zinc/52/71/04/834527104.db2.gz XGZPGVRDAWNALR-UHFFFAOYSA-N 0 1 396.216 3.615 20 5 GHBDMN CC(C)(NC[C@H](O)COc1ccccc1[N+](=O)[O-])c1cccc(Cl)c1F ZINC000186887890 834697002 /nfs/dbraw/zinc/69/70/02/834697002.db2.gz HFBUVPUKKUFBDR-LBPRGKRZSA-N 0 1 382.819 3.652 20 5 GHBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@H]2CN(c3ccccc3)C[C@@H]2C1 ZINC000609193203 835841811 /nfs/dbraw/zinc/84/18/11/835841811.db2.gz SXZHLHYDNBXKFY-OALUTQOASA-N 0 1 381.476 3.950 20 5 GHBDMN CC(C)Oc1cccc([C@H](C)NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)c1 ZINC000179666609 835932064 /nfs/dbraw/zinc/93/20/64/835932064.db2.gz FHMMXSDWTLIAHR-HNNXBMFYSA-N 0 1 383.448 3.622 20 5 GHBDMN CCOc1ccccc1[C@H](CC)NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000179736556 835958760 /nfs/dbraw/zinc/95/87/60/835958760.db2.gz CXBOWFIGNDQNTN-SFHVURJKSA-N 0 1 383.448 3.624 20 5 GHBDMN CC(C)c1nc2c([nH]1)CC[C@H](C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)C2 ZINC000364552915 836052019 /nfs/dbraw/zinc/05/20/19/836052019.db2.gz ZTYLKEJQRGDQHE-HNNXBMFYSA-N 0 1 382.464 3.737 20 5 GHBDMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000179831197 836063313 /nfs/dbraw/zinc/06/33/13/836063313.db2.gz CCNREWYYNLDDFS-UHFFFAOYSA-N 0 1 398.329 3.847 20 5 GHBDMN O=C(NCCc1ccc([N+](=O)[O-])cc1)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000188562332 836248504 /nfs/dbraw/zinc/24/85/04/836248504.db2.gz KCBFOQIYABMYSL-UHFFFAOYSA-N 0 1 376.825 3.672 20 5 GHBDMN CC[C@@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000414011877 837122692 /nfs/dbraw/zinc/12/26/92/837122692.db2.gz FIRPPGQLLZMOSU-CQSZACIVSA-N 0 1 399.447 3.797 20 5 GHBDMN C[C@H](NCC(=O)Nc1ccc(N2CCCCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180409511 837234693 /nfs/dbraw/zinc/23/46/93/837234693.db2.gz XQYNPGXSGHCZGP-INIZCTEOSA-N 0 1 382.464 3.874 20 5 GHBDMN C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000180447576 837276628 /nfs/dbraw/zinc/27/66/28/837276628.db2.gz CQXMUMRYWWUTSA-WDEREUQCSA-N 0 1 392.799 3.834 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000043562349 837286902 /nfs/dbraw/zinc/28/69/02/837286902.db2.gz ADWNZYYVKDQNKB-UHFFFAOYSA-N 0 1 376.312 3.603 20 5 GHBDMN O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000181355095 837998352 /nfs/dbraw/zinc/99/83/52/837998352.db2.gz RWRGXHJJIKRLOM-AWEZNQCLSA-N 0 1 395.394 3.539 20 5 GHBDMN CCO[C@@H]1C[C@](N)(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C1(C)C ZINC000275768522 838783944 /nfs/dbraw/zinc/78/39/44/838783944.db2.gz LNEVXYYTYATQEK-NQIIRXRSSA-N 0 1 399.447 3.858 20 5 GHBDMN CN(CCN(C)c1ccccc1)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC001167353954 838872140 /nfs/dbraw/zinc/87/21/40/838872140.db2.gz TXTTXLAGNBDBEO-UHFFFAOYSA-N 0 1 378.270 3.926 20 5 GHBDMN O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CC[C@@H](N2CCCCC2)C1 ZINC000275819945 839232062 /nfs/dbraw/zinc/23/20/62/839232062.db2.gz MVKIMRVUIHVZTJ-QGZVFWFLSA-N 0 1 375.472 3.794 20 5 GHBDMN CCOC(=O)[C@@H]1CC[C@H](NCc2cc([N+](=O)[O-])ccc2OC)c2ccccc21 ZINC000549228541 839414404 /nfs/dbraw/zinc/41/44/04/839414404.db2.gz OXHKNEFOTWEIJI-MOPGFXCFSA-N 0 1 384.432 3.875 20 5 GHBDMN C[C@]1(CNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CCC[N@H+]1Cc1ccccc1 ZINC000579597682 839431373 /nfs/dbraw/zinc/43/13/73/839431373.db2.gz ZJUSRVAIZBGXEP-OAQYLSRUSA-N 0 1 383.448 3.689 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1CN1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000066831492 839522451 /nfs/dbraw/zinc/52/24/51/839522451.db2.gz NGOHXASURMCWGQ-UHFFFAOYSA-N 0 1 393.447 3.768 20 5 GHBDMN O=C([O-])c1cc(N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)ccc1[N+](=O)[O-] ZINC000580452344 839583298 /nfs/dbraw/zinc/58/32/98/839583298.db2.gz YSQYTKMWVZXGGG-JOCHJYFZSA-N 0 1 395.459 3.786 20 5 GHBDMN O=[N+]([O-])c1ccccc1CNCC1=Cc2cc(Br)ccc2OC1 ZINC000236758504 839647401 /nfs/dbraw/zinc/64/74/01/839647401.db2.gz OYUCAHGPUZPUTN-UHFFFAOYSA-N 0 1 375.222 3.923 20 5 GHBDMN CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OCC)C1 ZINC000512562117 844573308 /nfs/dbraw/zinc/57/33/08/844573308.db2.gz PPZAFCSVNVEKQF-JKSUJKDBSA-N 0 1 377.485 3.510 20 5 GHBDMN CCC[C@H](C)NC(=O)[C@@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2OCC)C1 ZINC000512562117 844573318 /nfs/dbraw/zinc/57/33/18/844573318.db2.gz PPZAFCSVNVEKQF-JKSUJKDBSA-N 0 1 377.485 3.510 20 5 GHBDMN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)c1cc(F)cc2[nH]cnc21 ZINC000561319676 840809231 /nfs/dbraw/zinc/80/92/31/840809231.db2.gz BLGCBRLJKRILLI-UHFFFAOYSA-N 0 1 379.145 3.625 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)Cc1ccc(F)cc1Cl ZINC000107063978 841177024 /nfs/dbraw/zinc/17/70/24/841177024.db2.gz PFKRCQYAVCGMSP-UHFFFAOYSA-N 0 1 395.818 3.857 20 5 GHBDMN Cc1nc(-c2ccc(NS(=O)(=O)c3c(C)cc([N+](=O)[O-])cc3C)cc2)co1 ZINC000610500269 841223364 /nfs/dbraw/zinc/22/33/64/841223364.db2.gz YVNOGYWHSYWAOZ-UHFFFAOYSA-N 0 1 387.417 3.976 20 5 GHBDMN COC(=O)c1ccc([N+](=O)[O-])c(NC2CCN(Cc3ccc(F)cc3)CC2)c1 ZINC000302087394 861201990 /nfs/dbraw/zinc/20/19/90/861201990.db2.gz KYGSMQJPFAAZGP-UHFFFAOYSA-N 0 1 387.411 3.597 20 5 GHBDMN CC(C)COc1ccc(C(C)(C)NCc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000107899780 841480861 /nfs/dbraw/zinc/48/08/61/841480861.db2.gz CBQUVSCOGOLLGB-UHFFFAOYSA-N 0 1 385.464 3.753 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@H](c3ccc(F)c(F)c3)C2)c1[N+](=O)[O-] ZINC000600184944 861208483 /nfs/dbraw/zinc/20/84/83/861208483.db2.gz IWCYHBMFVVFCQW-LBPRGKRZSA-N 0 1 378.379 3.739 20 5 GHBDMN COc1cc(OC)cc([C@H](O)CNc2cc(C)nc3ccc([N+](=O)[O-])cc32)c1 ZINC000302129743 861211280 /nfs/dbraw/zinc/21/12/80/861211280.db2.gz BMLICKKLQJGAOQ-HXUWFJFHSA-N 0 1 383.404 3.614 20 5 GHBDMN COC[C@](C)(CO)NCc1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000610518975 841853739 /nfs/dbraw/zinc/85/37/39/841853739.db2.gz IEXGQNSWJVSERJ-IBGZPJMESA-N 0 1 376.478 3.541 20 5 GHBDMN O=C(CN1CCCCCC1)Nc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000045941797 841874876 /nfs/dbraw/zinc/87/48/76/841874876.db2.gz OVUYZRIUGHTTCR-UHFFFAOYSA-N 0 1 396.447 3.662 20 5 GHBDMN C[C@H](OC[C@H](O)CN(C)Cc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000046836075 841879598 /nfs/dbraw/zinc/87/95/98/841879598.db2.gz PEYBCYNZSHCAAE-KBXCAEBGSA-N 0 1 378.856 3.819 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(OCc2cccnc2)c1 ZINC000055632272 861274455 /nfs/dbraw/zinc/27/44/55/861274455.db2.gz BXCWIVLPBPERSR-UHFFFAOYSA-N 0 1 399.428 3.678 20 5 GHBDMN Cc1cc(Br)ccc1NC(=O)CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000182022941 842280475 /nfs/dbraw/zinc/28/04/75/842280475.db2.gz QMLUTXBIFMRODA-GFCCVEGCSA-N 0 1 392.253 3.955 20 5 GHBDMN COc1cccc(C[C@H]2CCCN2Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000603868411 861299096 /nfs/dbraw/zinc/29/90/96/861299096.db2.gz LXBFDVQMHCYAPH-GOSISDBHSA-N 0 1 394.431 3.861 20 5 GHBDMN CCOc1ccc([N+](=O)[O-])cc1CN1CCc2cc(OC)c(OC)cc2CC1 ZINC000512053943 842343700 /nfs/dbraw/zinc/34/37/00/842343700.db2.gz UBVBHOUKGCCHFG-UHFFFAOYSA-N 0 1 386.448 3.612 20 5 GHBDMN CCCOC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000006315191 842452588 /nfs/dbraw/zinc/45/25/88/842452588.db2.gz PDKUTYVKUICJBN-UHFFFAOYSA-N 0 1 398.824 3.616 20 5 GHBDMN C[C@@H](N[C@@H](C)c1ccc(NC(=O)C2CC2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000028347310 861352224 /nfs/dbraw/zinc/35/22/24/861352224.db2.gz OJNUAOGUFBEKPN-UONOGXRCSA-N 0 1 396.447 3.621 20 5 GHBDMN COc1ccc(CCC2CCN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)cc1 ZINC000053847529 842916438 /nfs/dbraw/zinc/91/64/38/842916438.db2.gz MJQLPGPKYKCWLS-UHFFFAOYSA-N 0 1 397.475 3.547 20 5 GHBDMN O=[N+]([O-])c1ccc2oc(CN(CCCO)[C@@H]3CCCc4ccccc43)nc2c1 ZINC000610582391 843092891 /nfs/dbraw/zinc/09/28/91/843092891.db2.gz BSBSGCVYQUPKHP-LJQANCHMSA-N 0 1 381.432 3.998 20 5 GHBDMN CCOC(=O)c1cnn(C2CCN([C@@H](C)c3ccccc3[N+](=O)[O-])CC2)c1C ZINC000510634607 843099089 /nfs/dbraw/zinc/09/90/89/843099089.db2.gz SGWHZTZCBDGVTN-AWEZNQCLSA-N 0 1 386.452 3.675 20 5 GHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(Br)c2Cl)s1 ZINC000549598588 843231937 /nfs/dbraw/zinc/23/19/37/843231937.db2.gz RVGYVAFYVJEXJO-UHFFFAOYSA-N 0 1 397.659 3.873 20 5 GHBDMN CCOc1cc(CN2CCC(C(=O)Nc3ccccc3O)CC2)ccc1[N+](=O)[O-] ZINC000276826358 843366782 /nfs/dbraw/zinc/36/67/82/843366782.db2.gz AHGWDSVDTZHZGA-UHFFFAOYSA-N 0 1 399.447 3.550 20 5 GHBDMN C[C@@H]1CN(c2cccc3cnccc32)CCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000549613474 843597028 /nfs/dbraw/zinc/59/70/28/843597028.db2.gz HQDXPRZVFBNYBX-OAHLLOKOSA-N 0 1 378.432 3.559 20 5 GHBDMN COc1cc(C)c(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1C(C)C ZINC000432780080 843800549 /nfs/dbraw/zinc/80/05/49/843800549.db2.gz MJJIYCAUKDTPOF-UHFFFAOYSA-N 0 1 380.422 3.542 20 5 GHBDMN CCOC(=O)c1cc2cc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)ccc2s1 ZINC000500705384 843860980 /nfs/dbraw/zinc/86/09/80/843860980.db2.gz OHNDLBDZERSEIK-UHFFFAOYSA-N 0 1 386.385 3.944 20 5 GHBDMN CN(CCCN(C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1ccco1 ZINC000513319889 845225494 /nfs/dbraw/zinc/22/54/94/845225494.db2.gz FBVLVNLCMSTIBL-UHFFFAOYSA-N 0 1 380.832 3.827 20 5 GHBDMN CC[C@H](NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1cccc(Cl)c1 ZINC000182583856 845494694 /nfs/dbraw/zinc/49/46/94/845494694.db2.gz IEXONGCPRPFKPY-ZDUSSCGKSA-N 0 1 391.811 3.656 20 5 GHBDMN COc1cc(CNC[C@@H](OC(C)C)c2ccccc2OC)c([N+](=O)[O-])cc1O ZINC000472037913 845526204 /nfs/dbraw/zinc/52/62/04/845526204.db2.gz MGSGDYUSYHUCMJ-HXUWFJFHSA-N 0 1 390.436 3.574 20 5 GHBDMN CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)COc1ccccc1Cl ZINC000513484905 845535670 /nfs/dbraw/zinc/53/56/70/845535670.db2.gz MZLDKHUFUQEJPP-QGZVFWFLSA-N 0 1 378.856 3.899 20 5 GHBDMN O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2NCc2ccsc2Br)n1 ZINC000511037361 845810705 /nfs/dbraw/zinc/81/07/05/845810705.db2.gz IOHQFCKKZIEIEM-RYUDHWBXSA-N 0 1 385.287 3.889 20 5 GHBDMN CC(C)Oc1ccccc1[C@H](C)NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000539225228 846014926 /nfs/dbraw/zinc/01/49/26/846014926.db2.gz GTLCWOKAOKKUNR-HNNXBMFYSA-N 0 1 383.448 3.622 20 5 GHBDMN COc1ccccc1[C@@H]1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000157805218 846207891 /nfs/dbraw/zinc/20/78/91/846207891.db2.gz AAKYMFIXTDQWCE-OAHLLOKOSA-N 0 1 380.404 3.643 20 5 GHBDMN CCCN1C[C@@H](CN[C@H](c2ccc(CC)o2)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000421882406 846644518 /nfs/dbraw/zinc/64/45/18/846644518.db2.gz PQEDJFDZTBMSKD-VFNWGFHPSA-N 0 1 385.464 3.688 20 5 GHBDMN Cc1ccc2nc(CNC(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)[nH]c2c1 ZINC000178561650 846818987 /nfs/dbraw/zinc/81/89/87/846818987.db2.gz DGHBUAPMVOHZGI-UHFFFAOYSA-N 0 1 378.310 3.728 20 5 GHBDMN C[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(-c2c[nH]cn2)cc1 ZINC000503161684 846859669 /nfs/dbraw/zinc/85/96/69/846859669.db2.gz NSZDVVJULBBXCD-ZIAGYGMSSA-N 0 1 379.420 3.663 20 5 GHBDMN CN1CCCC(C)(C)[C@@H]1CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000548732312 846920649 /nfs/dbraw/zinc/92/06/49/846920649.db2.gz VQIHWAYZTWGXTG-IBGZPJMESA-N 0 1 377.488 3.532 20 5 GHBDMN C[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000501592654 847046223 /nfs/dbraw/zinc/04/62/23/847046223.db2.gz LIKLQJWJLCFGQY-JKSUJKDBSA-N 0 1 392.459 3.811 20 5 GHBDMN O=C(NC[C@H]1CCCCN1C1CC1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000277597245 847220870 /nfs/dbraw/zinc/22/08/70/847220870.db2.gz TVDBRPOTKDBBLM-QGZVFWFLSA-N 0 1 375.472 3.840 20 5 GHBDMN Cn1cc(CNCc2cccc(OC(C)(C)C)n2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000503271509 847540918 /nfs/dbraw/zinc/54/09/18/847540918.db2.gz WKVKZSXMUBAEMX-UHFFFAOYSA-N 0 1 395.463 3.857 20 5 GHBDMN Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCN(C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000502215473 847617507 /nfs/dbraw/zinc/61/75/07/847617507.db2.gz HPAQCPYYFSOFEK-NRFANRHFSA-N 0 1 396.491 3.609 20 5 GHBDMN CCc1ccc([C@@H](NC[C@H]2CCCN(C(C)=O)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000479497185 847669125 /nfs/dbraw/zinc/66/91/25/847669125.db2.gz KOJWZLYRXXNDEN-IERDGZPVSA-N 0 1 385.464 3.688 20 5 GHBDMN CCOc1ccc([C@H](C)N[C@@H](C)C(=O)N2Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC000479516813 847697811 /nfs/dbraw/zinc/69/78/11/847697811.db2.gz LZXXBOANIWZXGR-GJZGRUSLSA-N 0 1 383.448 3.575 20 5 GHBDMN C[C@H]1C[C@@H](C(=O)[O-])C[N@@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000422638845 847730504 /nfs/dbraw/zinc/73/05/04/847730504.db2.gz VHRBOJNQGRJMLG-DOTOQJQBSA-N 0 1 383.448 3.905 20 5 GHBDMN CCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@H](C)Cc1ccsc1 ZINC000187807970 848282111 /nfs/dbraw/zinc/28/21/11/848282111.db2.gz QALVCCXBIUWOQV-CYBMUJFWSA-N 0 1 377.466 3.557 20 5 GHBDMN Cc1ccc(NC(=O)NC(=O)[C@H](C)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(C)c1 ZINC000178689889 848549290 /nfs/dbraw/zinc/54/92/90/848549290.db2.gz NSJVBTGHJSVLRI-CVEARBPZSA-N 0 1 398.463 3.907 20 5 GHBDMN CCC[C@H](NCC(=O)N[C@H]1CCOc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000503906085 849768119 /nfs/dbraw/zinc/76/81/19/849768119.db2.gz YLFNYWXZAAEIPM-OALUTQOASA-N 0 1 383.448 3.666 20 5 GHBDMN Cc1cccc([C@@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C(F)(F)F)c1 ZINC000504327652 850025778 /nfs/dbraw/zinc/02/57/78/850025778.db2.gz DXEQKYPMVZSBEP-OAHLLOKOSA-N 0 1 378.310 3.813 20 5 GHBDMN CCN(C)Cc1cc(O[C@@H]2CCN(c3cc(C)c([N+](=O)[O-])cc3F)C2)ccn1 ZINC000856533254 881342390 /nfs/dbraw/zinc/34/23/90/881342390.db2.gz QRMVHWQFHNCWJU-QGZVFWFLSA-N 0 1 388.443 3.547 20 5 GHBDMN Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC000518777279 850083251 /nfs/dbraw/zinc/08/32/51/850083251.db2.gz YYRCPXUGIJOTGW-ALOPSCKCSA-N 0 1 396.447 3.604 20 5 GHBDMN C[N@H+]1CCC[C@H](CN=c2[n-]c(-c3ccc([N+](=O)[O-])cc3)no2)[C@H]1c1cccs1 ZINC000486948379 850273004 /nfs/dbraw/zinc/27/30/04/850273004.db2.gz WZPDNJPKRDWCHO-PBHICJAKSA-N 0 1 399.476 3.623 20 5 GHBDMN CCN(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000434230886 850910370 /nfs/dbraw/zinc/91/03/70/850910370.db2.gz YGRQYXDLKXNCBP-DOTOQJQBSA-N 0 1 399.495 3.739 20 5 GHBDMN CCCc1[nH]nc(C(=O)N(C)Cc2ccc(Br)cc2C)c1[N+](=O)[O-] ZINC000434340479 851015102 /nfs/dbraw/zinc/01/51/02/851015102.db2.gz FNCMJUBLPPSYBM-UHFFFAOYSA-N 0 1 395.257 3.614 20 5 GHBDMN O=C([O-])c1csc(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)n1 ZINC000426637712 851077143 /nfs/dbraw/zinc/07/71/43/851077143.db2.gz GKQSKYQYZQHYPL-UHFFFAOYSA-N 0 1 375.431 3.768 20 5 GHBDMN O=C([O-])c1cc(N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)ccc1[N+](=O)[O-] ZINC000910354698 851168939 /nfs/dbraw/zinc/16/89/39/851168939.db2.gz PZHSIZYDBDPIEX-ZDUSSCGKSA-N 0 1 391.374 3.648 20 5 GHBDMN O=C([O-])c1cc(N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)ccc1[N+](=O)[O-] ZINC000910354698 851168945 /nfs/dbraw/zinc/16/89/45/851168945.db2.gz PZHSIZYDBDPIEX-ZDUSSCGKSA-N 0 1 391.374 3.648 20 5 GHBDMN COc1ccc(CNCc2ccccc2OCc2cccnc2)cc1[N+](=O)[O-] ZINC000604473799 862216825 /nfs/dbraw/zinc/21/68/25/862216825.db2.gz JWBZMDHRIKPZJJ-UHFFFAOYSA-N 0 1 379.416 3.867 20 5 GHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)c(Cl)c1 ZINC000515620114 851258078 /nfs/dbraw/zinc/25/80/78/851258078.db2.gz HAPJGKLDQXORRO-UHFFFAOYSA-N 0 1 396.730 3.948 20 5 GHBDMN CCN(CCc1cccs1)[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000488322708 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ANWJQWHUYUZBSP-UHFFFAOYSA-N 0 1 388.443 3.530 20 5 GHBDMN O=[N+]([O-])c1ccc(O)cc1CSc1ncnc2c1cnn2-c1ccccc1 ZINC000436475853 851965009 /nfs/dbraw/zinc/96/50/09/851965009.db2.gz WSLVVAQGYANFLW-UHFFFAOYSA-N 0 1 379.401 3.722 20 5 GHBDMN O=C(NC1CC1)c1ccc(NC[C@@H](c2ccco2)N2CCCCC2)c([N+](=O)[O-])c1 ZINC000028749750 851997756 /nfs/dbraw/zinc/99/77/56/851997756.db2.gz IRKSQSAZAKKVCK-IBGZPJMESA-N 0 1 398.463 3.719 20 5 GHBDMN CC[C@H](C)c1nc([C@H](C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])n[nH]1 ZINC000489188033 852101187 /nfs/dbraw/zinc/10/11/87/852101187.db2.gz WUELBFOPDJKVRI-DCAQKATOSA-N 0 1 395.847 3.525 20 5 GHBDMN Cc1cc(N2CCC[N@@H+](CCCc3ccccc3)CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000516070968 852135819 /nfs/dbraw/zinc/13/58/19/852135819.db2.gz YAOPETIJTRBQMT-UHFFFAOYSA-N 0 1 397.475 3.746 20 5 GHBDMN CCC(=O)c1ccc(O)c(NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000436830573 852380085 /nfs/dbraw/zinc/38/00/85/852380085.db2.gz DBEIFRRTBDDVTF-UHFFFAOYSA-N 0 1 392.795 3.954 20 5 GHBDMN O=C(CN1C[C@@H]2CCCC[C@@H]2C1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000426781761 852387299 /nfs/dbraw/zinc/38/72/99/852387299.db2.gz DNOXHRJVPZDQRF-GASCZTMLSA-N 0 1 386.477 3.779 20 5 GHBDMN O=[N+]([O-])c1ccc(N2CCC(CCN3CCOCC3)CC2)c(C(F)(F)F)c1 ZINC000732567809 862361115 /nfs/dbraw/zinc/36/11/15/862361115.db2.gz CIICHUKNTBYIEX-UHFFFAOYSA-N 0 1 387.402 3.552 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(Oc2ccccn2)c1 ZINC000438716273 852745838 /nfs/dbraw/zinc/74/58/38/852745838.db2.gz LLSNIFDNBGWXCO-UHFFFAOYSA-N 0 1 385.401 3.891 20 5 GHBDMN CCCc1[nH]nc(C(=O)N2CCC(c3cccc(F)c3F)CC2)c1[N+](=O)[O-] ZINC000518032430 852757814 /nfs/dbraw/zinc/75/78/14/852757814.db2.gz DTPBSKAPCSZVRY-UHFFFAOYSA-N 0 1 378.379 3.568 20 5 GHBDMN Cc1cnn([C@H]2CCCc3ccccc32)c1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000505976796 852781994 /nfs/dbraw/zinc/78/19/94/852781994.db2.gz QTMONQOBPOOWIL-IBGZPJMESA-N 0 1 392.415 3.983 20 5 GHBDMN O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437152254 852802109 /nfs/dbraw/zinc/80/21/09/852802109.db2.gz SPHPHBIBIDMANN-INIZCTEOSA-N 0 1 393.365 3.618 20 5 GHBDMN Cc1ccc(C)n1C1CCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000507375202 852828716 /nfs/dbraw/zinc/82/87/16/852828716.db2.gz AKQNEGXWHZVGST-QGZVFWFLSA-N 0 1 384.480 3.986 20 5 GHBDMN CC[C@@H](C)c1nc([C@H](C)NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])n[nH]1 ZINC000490349045 852971904 /nfs/dbraw/zinc/97/19/04/852971904.db2.gz MVXIZQHHYCSXDC-ZJUUUORDSA-N 0 1 397.888 3.849 20 5 GHBDMN Cc1cccc(OCCCCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)c1 ZINC000490394590 852984224 /nfs/dbraw/zinc/98/42/24/852984224.db2.gz CPJADZIBJLGLAW-UHFFFAOYSA-N 0 1 395.419 3.876 20 5 GHBDMN O=C(Cc1csc2ccccc12)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000490374881 852989856 /nfs/dbraw/zinc/98/98/56/852989856.db2.gz VIUWCDYXDPPRBI-UHFFFAOYSA-N 0 1 379.401 3.776 20 5 GHBDMN Cc1cc(C(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)n[nH]2)cc([N+](=O)[O-])c1 ZINC000490611020 853135409 /nfs/dbraw/zinc/13/54/09/853135409.db2.gz RQVQFMWEOLONRG-UHFFFAOYSA-N 0 1 391.309 3.959 20 5 GHBDMN O=C(c1ccc(Nc2ccncc2)cc1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437486665 853169413 /nfs/dbraw/zinc/16/94/13/853169413.db2.gz WNIBDRAXJCDBJD-UHFFFAOYSA-N 0 1 388.427 3.960 20 5 GHBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)[C@H]1C[C@]12CCCc1ccccc12 ZINC000439184334 853400088 /nfs/dbraw/zinc/40/00/88/853400088.db2.gz GRZVCUQXMWUKEM-UTKZUKDTSA-N 0 1 389.415 3.613 20 5 GHBDMN COc1ccc(C[C@@H]2CCCN(CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000519797899 853513379 /nfs/dbraw/zinc/51/33/79/853513379.db2.gz VQLQWAJIIVAHEZ-SFHVURJKSA-N 0 1 397.475 3.521 20 5 GHBDMN CC[C@@](C)(C(=O)[O-])[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CC1CC1 ZINC000570986335 853705251 /nfs/dbraw/zinc/70/52/51/853705251.db2.gz ZUSBFTDPSQWTBK-FQEVSTJZSA-N 0 1 387.436 3.758 20 5 GHBDMN CC(C)OC(=O)c1ccc(NC(=O)[C@@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000056196166 854548015 /nfs/dbraw/zinc/54/80/15/854548015.db2.gz BCSUKELDHWZZIK-LSDHHAIUSA-N 0 1 399.447 3.838 20 5 GHBDMN CCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C(=O)C(C)C)cc1 ZINC000589558977 855026390 /nfs/dbraw/zinc/02/63/90/855026390.db2.gz RQTBMMSLMFYMTH-UHFFFAOYSA-N 0 1 376.434 3.797 20 5 GHBDMN CC(C)[C@@H](c1ccccc1)N(C)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000732979053 862634408 /nfs/dbraw/zinc/63/44/08/862634408.db2.gz CURYCYJPUDKECO-FQEVSTJZSA-N 0 1 396.447 3.650 20 5 GHBDMN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NC[C@H](c1ccco1)N1CCCCC1 ZINC000122979616 855069306 /nfs/dbraw/zinc/06/93/06/855069306.db2.gz LWSGOLQHVAHMNP-LJQANCHMSA-N 0 1 396.447 3.555 20 5 GHBDMN CN(CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273409094 855347530 /nfs/dbraw/zinc/34/75/30/855347530.db2.gz HZTVDBUSJVJUIO-QFBILLFUSA-N 0 1 387.411 3.525 20 5 GHBDMN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](c1cccc(OC)c1)N(C)C ZINC000184655453 855469332 /nfs/dbraw/zinc/46/93/32/855469332.db2.gz NJOJSWBEVXNPTR-LAUBAEHRSA-N 0 1 399.491 3.591 20 5 GHBDMN CCc1[nH]nc(C(=O)N(C)[C@@H]2CCCc3c(OC)ccc(Cl)c32)c1[N+](=O)[O-] ZINC000593878683 862733119 /nfs/dbraw/zinc/73/31/19/862733119.db2.gz FIFPPSCHSFPWRT-CYBMUJFWSA-N 0 1 392.843 3.692 20 5 GHBDMN C[C@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H](O)Cc1ccccc1 ZINC000123234689 856213873 /nfs/dbraw/zinc/21/38/73/856213873.db2.gz CGBATJXOPSMHNM-LIRRHRJNSA-N 0 1 383.473 3.800 20 5 GHBDMN CN(C)Cc1cc(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)ccc1F ZINC000172230638 856376815 /nfs/dbraw/zinc/37/68/15/856376815.db2.gz RURNEEPJAWEAKO-UHFFFAOYSA-N 0 1 387.436 3.940 20 5 GHBDMN CCc1[nH]nc(C(=O)N2CCC(c3nc(C(C)(C)C)cs3)CC2)c1[N+](=O)[O-] ZINC000172621772 856501998 /nfs/dbraw/zinc/50/19/98/856501998.db2.gz JFSLSXNIVHMFAA-UHFFFAOYSA-N 0 1 391.497 3.654 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000427715867 856628752 /nfs/dbraw/zinc/62/87/52/856628752.db2.gz SRZBTUZOMPXEIX-AWEZNQCLSA-N 0 1 394.431 3.808 20 5 GHBDMN CC[C@H](C)NC(=O)[C@H](C)NCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000507929381 856706176 /nfs/dbraw/zinc/70/61/76/856706176.db2.gz HTJVJXNDSXNQGS-HOTGVXAUSA-N 0 1 384.480 3.756 20 5 GHBDMN COc1ccc([C@@H]2CCN([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)cc1 ZINC000249876613 856744866 /nfs/dbraw/zinc/74/48/66/856744866.db2.gz MBGAXEWOYCFXKP-NVXWUHKLSA-N 0 1 383.448 3.728 20 5 GHBDMN O=C(Nc1nnc(SCc2cccs2)s1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000427904235 856858803 /nfs/dbraw/zinc/85/88/03/856858803.db2.gz BOWCOKUJDBLKCK-UHFFFAOYSA-N 0 1 394.459 3.758 20 5 GHBDMN CC[N@@H+](CCC1CCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CC1)CC1CC1 ZINC000592977594 857145997 /nfs/dbraw/zinc/14/59/97/857145997.db2.gz YTMYEGWKWOWATF-UHFFFAOYSA-N 0 1 375.469 3.631 20 5 GHBDMN Cc1cccc(C(=O)N2CCCN(CCCOc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000124734877 857189785 /nfs/dbraw/zinc/18/97/85/857189785.db2.gz LHXRGDBBHDBSEA-UHFFFAOYSA-N 0 1 397.475 3.520 20 5 GHBDMN CC(C)n1ncc2cc(CN3CCC(Oc4ccc([N+](=O)[O-])cc4)CC3)cnc21 ZINC000174244522 857233440 /nfs/dbraw/zinc/23/34/40/857233440.db2.gz NKEOOBKRKSWMKY-UHFFFAOYSA-N 0 1 395.463 3.964 20 5 GHBDMN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc(Oc2ccccn2)c1 ZINC000174772005 857381978 /nfs/dbraw/zinc/38/19/78/857381978.db2.gz OZLHGKNFJGMFRR-UHFFFAOYSA-N 0 1 385.401 3.891 20 5 GHBDMN O=[N+]([O-])c1cc(O)cc(-c2nc(-c3cccc(OCc4cccnc4)c3)no2)c1 ZINC000486111312 857439011 /nfs/dbraw/zinc/43/90/11/857439011.db2.gz QTPRDIWALQWNAX-UHFFFAOYSA-N 0 1 390.355 3.991 20 5 GHBDMN O=[N+]([O-])c1ccc(N[C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)c(Cl)c1 ZINC000301737882 857476723 /nfs/dbraw/zinc/47/67/23/857476723.db2.gz VYRIKIGEBCEZRH-DNVCBOLYSA-N 0 1 375.856 3.543 20 5 GHBDMN Cc1ccc(C)c(S(=O)(=O)Nc2cc(Cl)cc(F)c2F)c1[N+](=O)[O-] ZINC000442241541 857645310 /nfs/dbraw/zinc/64/53/10/857645310.db2.gz ZGBLSJKWHRZHMA-UHFFFAOYSA-N 0 1 376.768 3.944 20 5 GHBDMN CCCc1ccc([C@H](C)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000543598423 858923423 /nfs/dbraw/zinc/92/34/23/858923423.db2.gz AHKUBAOAENBEPT-HNNXBMFYSA-N 0 1 376.478 3.672 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2nc(CNCCN3CCc4ccccc4C3)cs2)c1 ZINC000113317573 858924495 /nfs/dbraw/zinc/92/44/95/858924495.db2.gz UMKFRQZWLQPIAU-UHFFFAOYSA-N 0 1 394.500 3.866 20 5 GHBDMN O=C(NC[C@@H]1CCN1Cc1ccccc1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000596955483 859193289 /nfs/dbraw/zinc/19/32/89/859193289.db2.gz RALBZJUWURWKHJ-NRFANRHFSA-N 0 1 394.475 3.543 20 5 GHBDMN CCc1ccc([C@H](N[C@H]2CCO[C@]3(CCOC3)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543422449 859655635 /nfs/dbraw/zinc/65/56/35/859655635.db2.gz BSIJXAGHIVLFNF-ZLGUVYLKSA-N 0 1 386.448 3.767 20 5 GHBDMN CCN(C)C(=O)CNCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000185178529 859659289 /nfs/dbraw/zinc/65/92/89/859659289.db2.gz BXYWIGPEKJXEDN-UHFFFAOYSA-N 0 1 377.828 3.608 20 5 GHBDMN CCCCN1Cc2cccc(NS(=O)(=O)c3ccc([N+](=O)[O-])c(C)c3)c2C1 ZINC000543446646 859735233 /nfs/dbraw/zinc/73/52/33/859735233.db2.gz KNUWKIPTKRSXSS-UHFFFAOYSA-N 0 1 389.477 3.820 20 5 GHBDMN O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CNC1(c2ccc(Cl)cc2)CCCC1 ZINC000727167273 859980877 /nfs/dbraw/zinc/98/08/77/859980877.db2.gz WXLNWTDJQLDBQG-UHFFFAOYSA-N 0 1 399.834 3.861 20 5 GHBDMN O=C1CCCN1[C@H]1CCCN(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602694420 860207045 /nfs/dbraw/zinc/20/70/45/860207045.db2.gz RHXCGCXTVQZJDW-HNNXBMFYSA-N 0 1 385.386 3.591 20 5 GHBDMN CC[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(OC)cc1 ZINC000124145340 860247376 /nfs/dbraw/zinc/24/73/76/860247376.db2.gz SARTYNVEGXUCRF-INIZCTEOSA-N 0 1 377.828 3.936 20 5 GHBDMN COc1ccc(CN2CCC(c3cc(-c4ccncc4)n[nH]3)CC2)cc1[N+](=O)[O-] ZINC000602878406 860333618 /nfs/dbraw/zinc/33/36/18/860333618.db2.gz RVPWTAZYKLPMOZ-UHFFFAOYSA-N 0 1 393.447 3.768 20 5 GHBDMN O=[N+]([O-])c1ccc2oc(CN3CC[C@H](c4ccc5cccnc5n4)C3)nc2c1 ZINC000602884069 860336450 /nfs/dbraw/zinc/33/64/50/860336450.db2.gz BICQRVNUVMKZJO-AWEZNQCLSA-N 0 1 375.388 3.669 20 5 GHBDMN O=[N+]([O-])c1ccc(NC2CCN(Cc3ccccn3)CC2)c(Br)c1 ZINC000301364605 860473306 /nfs/dbraw/zinc/47/33/06/860473306.db2.gz NEOCRWFXMGRMJU-UHFFFAOYSA-N 0 1 391.269 3.829 20 5 GHBDMN O=C(Nc1ccccc1)[C@H](NCCOc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000552487428 860538057 /nfs/dbraw/zinc/53/80/57/860538057.db2.gz MLDHRONGIPGGJE-OAQYLSRUSA-N 0 1 391.427 3.943 20 5 GHBDMN O=[N+]([O-])c1cccc2c1CCN(CCc1nc(-c3ccc(Cl)cc3)no1)C2 ZINC000153021604 881579371 /nfs/dbraw/zinc/57/93/71/881579371.db2.gz SCYFHSFBESKOHB-UHFFFAOYSA-N 0 1 384.823 3.899 20 5 GHBDMN CCc1[nH]nc(C(=O)N(Cc2ccccc2)Cc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000444051957 863212259 /nfs/dbraw/zinc/21/22/59/863212259.db2.gz KLEVWQBBBQGZHH-UHFFFAOYSA-N 0 1 382.395 3.862 20 5 GHBDMN CCO[C@@H]1C[C@H](NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)[C@@H]1OC ZINC000482519169 863251220 /nfs/dbraw/zinc/25/12/20/863251220.db2.gz PEEOSNMQZUPZER-DBVUQKKJSA-N 0 1 390.411 3.808 20 5 GHBDMN CC1CCC(N(CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]2CCCO2)CC1 ZINC000444218909 863692912 /nfs/dbraw/zinc/69/29/12/863692912.db2.gz YKIXTBGOEBIOBS-JCYILVPMSA-N 0 1 375.469 3.593 20 5 GHBDMN O=[N+]([O-])c1c(Br)cccc1N1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000856738890 881704912 /nfs/dbraw/zinc/70/49/12/881704912.db2.gz KFIOKVXCCMJBJN-LLVKDONJSA-N 0 1 392.257 3.737 20 5 GHBDMN O=[N+]([O-])c1c(Br)cccc1N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000856738890 881704920 /nfs/dbraw/zinc/70/49/20/881704920.db2.gz KFIOKVXCCMJBJN-LLVKDONJSA-N 0 1 392.257 3.737 20 5 GHBDMN O=C(OCCOc1ccc(Cl)cc1Br)c1ccc([N+](=O)[O-])[nH]1 ZINC000920143744 881805554 /nfs/dbraw/zinc/80/55/54/881805554.db2.gz QXDLUVAVMDHRPE-UHFFFAOYSA-N 0 1 389.589 3.575 20 5 GHBDMN CN(CCN1CCN(c2ccccc2)CC1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000738341578 865522381 /nfs/dbraw/zinc/52/23/81/865522381.db2.gz SRMRHEVNOCJQEX-UHFFFAOYSA-N 0 1 388.899 3.502 20 5 GHBDMN C[C@@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1cccc(C(F)(F)F)c1 ZINC000121335676 865754472 /nfs/dbraw/zinc/75/44/72/865754472.db2.gz WVPGGFBMKILQGM-GFCCVEGCSA-N 0 1 381.354 3.927 20 5 GHBDMN Cc1ccc(S(=O)(=O)Nc2cc(F)ccc2N2CCCCC2)cc1[N+](=O)[O-] ZINC000608886903 865816918 /nfs/dbraw/zinc/81/69/18/865816918.db2.gz LSSGPTIMSYEAJB-UHFFFAOYSA-N 0 1 393.440 3.833 20 5 GHBDMN CN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)Cc1cc(F)c(F)c(F)c1 ZINC000130052401 866327288 /nfs/dbraw/zinc/32/72/88/866327288.db2.gz XDPKTEFTUKAZGN-UHFFFAOYSA-N 0 1 385.317 3.612 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2cnc(CCN3CCN(c4cccs4)CC3)o2)c1 ZINC000121468895 866827208 /nfs/dbraw/zinc/82/72/08/866827208.db2.gz BETGUJYVBNZKSR-UHFFFAOYSA-N 0 1 384.461 3.676 20 5 GHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000456718474 867056613 /nfs/dbraw/zinc/05/66/13/867056613.db2.gz YKKPXBHQXMVWKK-QGZVFWFLSA-N 0 1 390.403 3.715 20 5 GHBDMN O=[N+]([O-])c1cn(CN2CCC[C@@H]2Cc2ccc(F)cc2)nc1-c1ccncc1 ZINC000742146681 867079365 /nfs/dbraw/zinc/07/93/65/867079365.db2.gz WGMLDRTYWJSHSB-GOSISDBHSA-N 0 1 381.411 3.657 20 5 GHBDMN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(F)c(CN(C)C)c1 ZINC000523739007 867879936 /nfs/dbraw/zinc/87/99/36/867879936.db2.gz ZCFYGLYIOGFBOV-CYBMUJFWSA-N 0 1 391.468 3.593 20 5 GHBDMN CN(CCNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)Cc1ccccc1 ZINC000445199048 867941306 /nfs/dbraw/zinc/94/13/06/867941306.db2.gz XBWLIMPGAQWQMY-UHFFFAOYSA-N 0 1 385.467 3.543 20 5 GHBDMN COc1cc(Cc2noc([C@H](C)N3[C@@H](C)CC[C@@H]3C)n2)c([N+](=O)[O-])c(OC)c1 ZINC000445824522 869036538 /nfs/dbraw/zinc/03/65/38/869036538.db2.gz MYBAPPRWTORPOM-AVGNSLFASA-N 0 1 390.440 3.520 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](c1ccc(F)c(C)c1)C1CC1 ZINC000539423251 869102766 /nfs/dbraw/zinc/10/27/66/869102766.db2.gz CVNGWBXGHHZXHS-HXUWFJFHSA-N 0 1 387.411 3.730 20 5 GHBDMN CC(C)[C@H](C)N1Cc2cccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c2C1 ZINC000462382092 869332110 /nfs/dbraw/zinc/33/21/10/869332110.db2.gz VYUUCCGWMSUXEY-AWEZNQCLSA-N 0 1 389.477 3.756 20 5 GHBDMN Cc1ccc(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cc1F ZINC000462458170 869491399 /nfs/dbraw/zinc/49/13/99/869491399.db2.gz JFFBZIAAWMMGGA-UHFFFAOYSA-N 0 1 393.223 3.828 20 5 GHBDMN C[C@@H](N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000539678511 869602405 /nfs/dbraw/zinc/60/24/05/869602405.db2.gz LHKOXOXDSLTKNL-DIFFPNOSSA-N 0 1 377.803 3.843 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2ccc(CN3CCC([C@H](O)C(F)(F)F)CC3)o2)cc1 ZINC000539850635 869899078 /nfs/dbraw/zinc/89/90/78/869899078.db2.gz JOKFVDMQUHQDOS-KRWDZBQOSA-N 0 1 384.354 3.990 20 5 GHBDMN CC(C)(C)OC(=O)c1ccc(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000462786706 870080031 /nfs/dbraw/zinc/08/00/31/870080031.db2.gz AXLFTJAFCNFKBE-QGZVFWFLSA-N 0 1 398.463 3.632 20 5 GHBDMN COc1cc(SC)ccc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000446619999 870102866 /nfs/dbraw/zinc/10/28/66/870102866.db2.gz LMXIESBEFIFOHE-UHFFFAOYSA-N 0 1 382.463 3.743 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N(C)CCc2cccc(Br)c2)c1[N+](=O)[O-] ZINC000462865413 870244925 /nfs/dbraw/zinc/24/49/25/870244925.db2.gz ZJPVXVKHYXKRQZ-UHFFFAOYSA-N 0 1 395.257 3.519 20 5 GHBDMN CCOc1ccc2c(c1)c(=N)c1ccc(N)cc1n2C(=O)c1cc(C)n(C)c1C ZINC001192436204 870397315 /nfs/dbraw/zinc/39/73/15/870397315.db2.gz DLIKDHBLZFDKJH-UHFFFAOYSA-N 0 1 388.471 3.899 20 5 GHBDMN CCc1c(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[nH]nc1-c1ccncc1 ZINC000609109208 870477691 /nfs/dbraw/zinc/47/76/91/870477691.db2.gz JJBIACUIHIINFP-UHFFFAOYSA-N 0 1 376.376 3.676 20 5 GHBDMN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CCOc2c(F)ccc(F)c21 ZINC000462953576 870524074 /nfs/dbraw/zinc/52/40/74/870524074.db2.gz NHJDWQOYZAOEIX-BDJLRTHQSA-N 0 1 391.374 3.704 20 5 GHBDMN CC[C@@H](CS(=O)(=O)c1ccccc1)N[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000540145215 870599222 /nfs/dbraw/zinc/59/92/22/870599222.db2.gz YPKMRAMHTBPRAS-CVEARBPZSA-N 0 1 376.478 3.806 20 5 GHBDMN Cc1cc(C(=O)N2CCC[C@@H](c3nnc(-c4ccccc4)[nH]3)C2)ccc1[N+](=O)[O-] ZINC000181324884 870826698 /nfs/dbraw/zinc/82/66/98/870826698.db2.gz TYASXLDOBBBRKE-QGZVFWFLSA-N 0 1 391.431 3.708 20 5 GHBDMN COC(=O)[C@H]1CCCC[C@]1(C)NCc1cccc([N+](=O)[O-])c1Br ZINC001193032018 870855567 /nfs/dbraw/zinc/85/55/67/870855567.db2.gz ASHMHAIIUMZNCK-WBMJQRKESA-N 0 1 385.258 3.569 20 5 GHBDMN COC(=O)[C@@H]1CCCC[C@@]1(C)NCc1cccc([N+](=O)[O-])c1Br ZINC001193032015 870855709 /nfs/dbraw/zinc/85/57/09/870855709.db2.gz ASHMHAIIUMZNCK-BLLLJJGKSA-N 0 1 385.258 3.569 20 5 GHBDMN CCOc1ccccc1[C@@H](CC)N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000540351754 871044336 /nfs/dbraw/zinc/04/43/36/871044336.db2.gz MOPAXWPSNCEKRR-RTBURBONSA-N 0 1 383.448 3.840 20 5 GHBDMN O=[N+]([O-])c1cc(NS(=O)(=O)c2ccc(F)cc2C(F)(F)F)ccc1F ZINC000103057854 871156472 /nfs/dbraw/zinc/15/64/72/871156472.db2.gz WIQFDQVVMBADPM-UHFFFAOYSA-N 0 1 382.266 3.693 20 5 GHBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000182028675 871755639 /nfs/dbraw/zinc/75/56/39/871755639.db2.gz CIWQSLZQSDNLDQ-OAHLLOKOSA-N 0 1 381.436 3.814 20 5 GHBDMN Cc1ccc(-c2cc(=NC(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)[nH][nH]2)o1 ZINC000447805191 872329173 /nfs/dbraw/zinc/32/91/73/872329173.db2.gz HKNPYVAWVRIPHI-UHFFFAOYSA-N 0 1 395.400 3.684 20 5 GHBDMN COc1ccc(C[C@@H](C)CN[C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000552275313 872371471 /nfs/dbraw/zinc/37/14/71/872371471.db2.gz RLXDTAFEDJUXQD-IIBYNOLFSA-N 0 1 394.475 3.895 20 5 GHBDMN Cc1ccc(-c2n[nH]c(SCC(=O)OCc3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000767420934 872507140 /nfs/dbraw/zinc/50/71/40/872507140.db2.gz WKBJVVYYPIJJJC-UHFFFAOYSA-N 0 1 384.417 3.524 20 5 GHBDMN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000537643475 882653510 /nfs/dbraw/zinc/65/35/10/882653510.db2.gz BHHNURXKGUGHCT-UHFFFAOYSA-N 0 1 381.476 3.868 20 5 GHBDMN O=C1C[C@]2(CCCN(CCCOc3ccc([N+](=O)[O-])cc3)C2)Oc2ccccc21 ZINC001196131881 872888215 /nfs/dbraw/zinc/88/82/15/872888215.db2.gz JVRLQAMGUTYCCH-QFIPXVFZSA-N 0 1 396.443 3.864 20 5 GHBDMN Cc1cccc(CN(Cc2ccco2)C[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000541281312 873304501 /nfs/dbraw/zinc/30/45/01/873304501.db2.gz GNAKVYKZPDVVOQ-IBGZPJMESA-N 0 1 396.443 3.938 20 5 GHBDMN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000768542008 873375375 /nfs/dbraw/zinc/37/53/75/873375375.db2.gz CKLYIMAYKFNULQ-CJNGLKHVSA-N 0 1 379.457 3.568 20 5 GHBDMN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000768542008 873375386 /nfs/dbraw/zinc/37/53/86/873375386.db2.gz CKLYIMAYKFNULQ-CJNGLKHVSA-N 0 1 379.457 3.568 20 5 GHBDMN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000768542008 873375401 /nfs/dbraw/zinc/37/54/01/873375401.db2.gz CKLYIMAYKFNULQ-CJNGLKHVSA-N 0 1 379.457 3.568 20 5 GHBDMN O=C(N[C@H]1CCN(C2CC2)C1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000541681050 874086952 /nfs/dbraw/zinc/08/69/52/874086952.db2.gz OQJBKTZNXJIDGP-HNNXBMFYSA-N 0 1 389.521 3.844 20 5 GHBDMN Cc1cc(F)cc(S(=O)(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)c1 ZINC000769636581 874180692 /nfs/dbraw/zinc/18/06/92/874180692.db2.gz YJICYDSIYCCXNL-UHFFFAOYSA-N 0 1 389.202 3.606 20 5 GHBDMN CCOc1ccccc1OCCN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464777121 874471307 /nfs/dbraw/zinc/47/13/07/874471307.db2.gz MMCBMVRJXFITKM-UHFFFAOYSA-N 0 1 386.448 3.916 20 5 GHBDMN O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCC[C@@H]1C[C@H](O)c1cccs1)OCCO2 ZINC000770292026 874580681 /nfs/dbraw/zinc/58/06/81/874580681.db2.gz HYNXXQRYPARWMC-ZBFHGGJFSA-N 0 1 390.461 3.516 20 5 GHBDMN O=[N+]([O-])c1cc2c(cc1CN1CCC[C@@H]1C[C@H](O)c1cccs1)OCCO2 ZINC000770292026 874580687 /nfs/dbraw/zinc/58/06/87/874580687.db2.gz HYNXXQRYPARWMC-ZBFHGGJFSA-N 0 1 390.461 3.516 20 5 GHBDMN Cc1cc(F)cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)c1 ZINC000770479203 874722877 /nfs/dbraw/zinc/72/28/77/874722877.db2.gz OTQGEMZJDWRAIP-UHFFFAOYSA-N 0 1 389.202 3.606 20 5 GHBDMN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1ccc(SC(F)F)nc1 ZINC000771133771 875065759 /nfs/dbraw/zinc/06/57/59/875065759.db2.gz CTOJSQQRRKYVIB-UHFFFAOYSA-N 0 1 389.405 3.722 20 5 GHBDMN CC(C)(C)O[C@@H]1C[C@H](NCc2ccc([N+](=O)[O-])cc2Cl)[C@H]1n1cccn1 ZINC000449657521 875195807 /nfs/dbraw/zinc/19/58/07/875195807.db2.gz PLJHUNVBDSOADH-GVDBMIGSSA-N 0 1 378.860 3.732 20 5 GHBDMN CN1CC[C@@H](NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000450280402 876213032 /nfs/dbraw/zinc/21/30/32/876213032.db2.gz YFRGAEZHBOWBOF-WBVHZDCISA-N 0 1 393.365 3.789 20 5 GHBDMN Cc1ccc(Cc2nnc(NC(=O)c3cc(F)c(F)cc3[N+](=O)[O-])s2)cc1 ZINC000108249001 876446272 /nfs/dbraw/zinc/44/62/72/876446272.db2.gz ZSEJTNQHAFROGL-UHFFFAOYSA-N 0 1 390.371 3.876 20 5 GHBDMN COc1cccc([C@@H](CNC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])N(C)C)c1 ZINC000477285177 877359318 /nfs/dbraw/zinc/35/93/18/877359318.db2.gz BQPSUOGMORFHKH-QGZVFWFLSA-N 0 1 391.855 3.598 20 5 GHBDMN CCC[C@@H](C)NC(=O)[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])c(OCC)c2)C1 ZINC000492695984 877363593 /nfs/dbraw/zinc/36/35/93/877363593.db2.gz LJNWTFHVWHKDBO-NVXWUHKLSA-N 0 1 377.485 3.510 20 5 GHBDMN Cc1cc([N+](=O)[O-])c(C)cc1NS(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2 ZINC000192725374 877404542 /nfs/dbraw/zinc/40/45/42/877404542.db2.gz WRNLEQPPHYZZHD-UHFFFAOYSA-N 0 1 397.412 3.731 20 5 GHBDMN CC(C)(C)c1ccc(-c2n[nH]c(NC(=O)Cc3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000460921126 877440506 /nfs/dbraw/zinc/44/05/06/877440506.db2.gz GUXQWUFKZLPGQU-UHFFFAOYSA-N 0 1 379.420 3.859 20 5 GHBDMN C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)NCc1csc([N+](=O)[O-])c1 ZINC000237579076 877632966 /nfs/dbraw/zinc/63/29/66/877632966.db2.gz GDGGNWXHZMSTLN-CQSZACIVSA-N 0 1 388.493 3.763 20 5 GHBDMN CCOc1ccc(NC(=O)CNC(C)(C)c2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000179579637 877710620 /nfs/dbraw/zinc/71/06/20/877710620.db2.gz WBVKTMBLKJOJMH-UHFFFAOYSA-N 0 1 375.400 3.596 20 5 GHBDMN CCC(=O)c1ccc(N[C@@H](CN2CCN(C)CC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000530422371 877757708 /nfs/dbraw/zinc/75/77/08/877757708.db2.gz LIUGEVNZDFUWDX-FQEVSTJZSA-N 0 1 396.491 3.588 20 5 GHBDMN O=C(NCCN1CC=CCC1)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC000477624185 877940732 /nfs/dbraw/zinc/94/07/32/877940732.db2.gz FVAFYTISGOTAAM-UHFFFAOYSA-N 0 1 389.521 3.869 20 5 GHBDMN C[C@@H](C(=O)c1c[nH]c2ncccc12)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451545202 878116797 /nfs/dbraw/zinc/11/67/97/878116797.db2.gz HAEPNSJHUKFHEF-GOEBONIOSA-N 0 1 378.432 3.922 20 5 GHBDMN Cc1ccc(OC(F)F)c(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000093534812 912321851 /nfs/dbraw/zinc/32/18/51/912321851.db2.gz HLXSNKBQPMKIGT-CQSZACIVSA-N 0 1 378.379 3.586 20 5 GHBDMN O=[N+]([O-])c1ccc(Cl)cc1CNCCOc1ncccc1C(F)(F)F ZINC000746754469 878212014 /nfs/dbraw/zinc/21/20/14/878212014.db2.gz KQTBOWJLIJOLEI-UHFFFAOYSA-N 0 1 375.734 3.831 20 5 GHBDMN CC(C)(C)OC(=O)[C@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)Cc2ccccc21 ZINC000852319140 878234711 /nfs/dbraw/zinc/23/47/11/878234711.db2.gz ZBOHLGUOIQOQHX-VQTJNVASSA-N 0 1 398.459 3.569 20 5 GHBDMN COc1ccc(Br)cc1CN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788673757 878235516 /nfs/dbraw/zinc/23/55/16/878235516.db2.gz XRCJSGVONZFJQY-JTQLQIEISA-N 0 1 380.242 3.799 20 5 GHBDMN O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)c1csc([N+](=O)[O-])c1 ZINC000493096475 878358001 /nfs/dbraw/zinc/35/80/01/878358001.db2.gz JZFJYUUYWLHOBO-UHFFFAOYSA-N 0 1 379.869 3.704 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2noc(CNC3(Cc4ccccc4)CCOCC3)n2)cc1 ZINC000451943503 878721227 /nfs/dbraw/zinc/72/12/27/878721227.db2.gz WALUFTVYLLJFSY-UHFFFAOYSA-N 0 1 394.431 3.526 20 5 GHBDMN CCCN1CCN(c2ccc(Nc3cc[nH]c(=O)c3[N+](=O)[O-])cc2Cl)CC1 ZINC000853231847 878914303 /nfs/dbraw/zinc/91/43/03/878914303.db2.gz VKRFVZIFUCMURH-UHFFFAOYSA-N 0 1 391.859 3.624 20 5 GHBDMN CCOc1ccc([C@@H](C)NCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1OC ZINC000538167145 878964348 /nfs/dbraw/zinc/96/43/48/878964348.db2.gz LBTSRQYLMPWXNV-CQSZACIVSA-N 0 1 387.436 3.600 20 5 GHBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)CN(C)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000789595030 879102227 /nfs/dbraw/zinc/10/22/27/879102227.db2.gz QLJZEKUTQIFALU-WYPWOVKWSA-N 0 1 379.460 3.731 20 5 GHBDMN CCOC(=O)N(C)C1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000130858419 879181973 /nfs/dbraw/zinc/18/19/73/879181973.db2.gz XINWVWZQUXMOJI-UHFFFAOYSA-N 0 1 387.436 3.908 20 5 GHBDMN Cc1sc(C(=O)N2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)cc1[N+](=O)[O-] ZINC000152692562 879588568 /nfs/dbraw/zinc/58/85/68/879588568.db2.gz MVOVCNOYTBVUPW-ZDUSSCGKSA-N 0 1 383.433 3.727 20 5 GHBDMN Cc1sc(C(=O)N2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)cc1[N+](=O)[O-] ZINC000152692562 879588576 /nfs/dbraw/zinc/58/85/76/879588576.db2.gz MVOVCNOYTBVUPW-ZDUSSCGKSA-N 0 1 383.433 3.727 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000152760156 879669864 /nfs/dbraw/zinc/66/98/64/879669864.db2.gz DRMJGJSZOVUNDO-KRWDZBQOSA-N 0 1 377.404 3.666 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000152760156 879669871 /nfs/dbraw/zinc/66/98/71/879669871.db2.gz DRMJGJSZOVUNDO-KRWDZBQOSA-N 0 1 377.404 3.666 20 5 GHBDMN C[C@H]1[C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CCN1Cc1ccccc1 ZINC000494028018 879836978 /nfs/dbraw/zinc/83/69/78/879836978.db2.gz OUEZBVSIJHPZFF-KSSFIOAISA-N 0 1 379.416 3.734 20 5 GHBDMN Cc1ccc(F)cc1-c1nnc(NC(=O)c2cc(F)ccc2[N+](=O)[O-])s1 ZINC000791877244 880784262 /nfs/dbraw/zinc/78/42/62/880784262.db2.gz LQLKNLCZTZBIOU-UHFFFAOYSA-N 0 1 376.344 3.952 20 5 GHBDMN CCCN(C(=O)c1ccc([N+](=O)[O-])cn1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000532136901 881215475 /nfs/dbraw/zinc/21/54/75/881215475.db2.gz MVWLCDRPRMNDDA-IBGZPJMESA-N 0 1 382.464 3.507 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2ccc(CNCc3ccc(Cn4cncn4)cc3)o2)cc1 ZINC000609440377 883216977 /nfs/dbraw/zinc/21/69/77/883216977.db2.gz TXCHWXDKIIRWJO-UHFFFAOYSA-N 0 1 389.415 3.784 20 5 GHBDMN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1nc2ccc(Cl)cc2[nH]1 ZINC000609489604 883254557 /nfs/dbraw/zinc/25/45/57/883254557.db2.gz XLGMSFVLTMUHCG-JTQLQIEISA-N 0 1 390.852 3.922 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2nc(CNc3cnn(-c4ccncc4)c3)cs2)c1 ZINC000609599623 883401397 /nfs/dbraw/zinc/40/13/97/883401397.db2.gz CUSKYHMVARAODG-UHFFFAOYSA-N 0 1 378.417 3.911 20 5 GHBDMN COC[C@H](N[C@@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1)C(C)C ZINC000542520830 884148218 /nfs/dbraw/zinc/14/82/18/884148218.db2.gz HRKMMXUTJOQOOF-AZUAARDMSA-N 0 1 385.464 3.844 20 5 GHBDMN C[C@H](CNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])[N@H+]1CCc2sccc2C1 ZINC000914787537 884792737 /nfs/dbraw/zinc/79/27/37/884792737.db2.gz SVHFOEGRXSGEAV-HSBHDXMMSA-N 0 1 387.461 3.613 20 5 GHBDMN CN(CCc1cnccn1)Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000508651739 884812522 /nfs/dbraw/zinc/81/25/22/884812522.db2.gz HFYTYYVIGWSMLR-UHFFFAOYSA-N 0 1 382.395 3.991 20 5 GHBDMN O=C([O-])[C@H]1CC[N@@H+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000263448116 884883761 /nfs/dbraw/zinc/88/37/61/884883761.db2.gz YPGKUSYNXOQQSV-ZDUSSCGKSA-N 0 1 376.796 3.947 20 5 GHBDMN CN(C)[C@H]1CCOc2c(NC(=O)c3cccc([N+](=O)[O-])c3Cl)cccc21 ZINC000861405536 885472045 /nfs/dbraw/zinc/47/20/45/885472045.db2.gz PPKDUDPQTGEIIR-AWEZNQCLSA-N 0 1 375.812 3.886 20 5 GHBDMN COCCCCCN1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000532462812 885604896 /nfs/dbraw/zinc/60/48/96/885604896.db2.gz ZVSDFIATPFZQCQ-UHFFFAOYSA-N 0 1 375.391 3.552 20 5 GHBDMN O=C(CN(Cc1ccc(F)cc1)CC1CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000532572264 886139510 /nfs/dbraw/zinc/13/95/10/886139510.db2.gz FWCKJLJMCHVJQC-UHFFFAOYSA-N 0 1 383.423 3.535 20 5 GHBDMN Cc1nc(Cl)ccc1S(=O)(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000808546054 886500964 /nfs/dbraw/zinc/50/09/64/886500964.db2.gz YINJEKDXMZRPMQ-UHFFFAOYSA-N 0 1 395.746 3.771 20 5 GHBDMN O=C(CN[C@@H](c1ccccc1)[C@H](O)c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000808789092 886782331 /nfs/dbraw/zinc/78/23/31/886782331.db2.gz FPTRDLDDXQVOKP-FCHUYYIVSA-N 0 1 391.427 3.598 20 5 GHBDMN O=C1CCc2cc([N+](=O)[O-])c(NC[C@@H](c3ccco3)N3CCCCC3)cc2N1 ZINC000193585598 886911377 /nfs/dbraw/zinc/91/13/77/886911377.db2.gz VWQYNMBSHVKNLN-SFHVURJKSA-N 0 1 384.436 3.712 20 5 GHBDMN CC(C)(C)OC(=O)NCC[C@H]1CCCC[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000809723253 887749977 /nfs/dbraw/zinc/74/99/77/887749977.db2.gz DGTXFZPCHFKDBZ-OAHLLOKOSA-N 0 1 379.457 3.570 20 5 GHBDMN CC(C)(CC(F)(F)F)NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809834519 887853822 /nfs/dbraw/zinc/85/38/22/887853822.db2.gz BBNQBJAISPOFJK-UHFFFAOYSA-N 0 1 395.186 3.911 20 5 GHBDMN CCc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)c1 ZINC000533005402 889505870 /nfs/dbraw/zinc/50/58/70/889505870.db2.gz MEFTYVSCXCHMAK-UHFFFAOYSA-N 0 1 385.239 3.721 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2cnn(CN3CC[C@@]4(C3)CCc3ccccc3O4)c2)cc1 ZINC000811782850 889956980 /nfs/dbraw/zinc/95/69/80/889956980.db2.gz SRVYSMHSDHMBGY-JOCHJYFZSA-N 0 1 390.443 3.886 20 5 GHBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)N[C@@H]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC001212217283 890503779 /nfs/dbraw/zinc/50/37/79/890503779.db2.gz RRWRNMGZOQQKKJ-DZGCQCFKSA-N 0 1 395.868 3.648 20 5 GHBDMN Cc1ccc(S(=O)(=O)Nc2ccc(OCc3ccccc3)nc2)cc1[N+](=O)[O-] ZINC000533466401 890622417 /nfs/dbraw/zinc/62/24/17/890622417.db2.gz MHAXKPOZGBNZFN-UHFFFAOYSA-N 0 1 399.428 3.678 20 5 GHBDMN O=C(Nc1nc2ccc(Cl)cc2[nH]1)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC001133406326 890908579 /nfs/dbraw/zinc/90/85/79/890908579.db2.gz PFUFIOWYVBUWPY-UHFFFAOYSA-N 0 1 396.794 3.622 20 5 GHBDMN O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCOC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000428590060 892628763 /nfs/dbraw/zinc/62/87/63/892628763.db2.gz YSSCSGRYXGFYMQ-LLVKDONJSA-N 0 1 392.795 3.621 20 5 GHBDMN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H](C)N1CCc2ccccc2C1 ZINC000536685996 893531583 /nfs/dbraw/zinc/53/15/83/893531583.db2.gz WXVLUWAVHPYZMH-INIZCTEOSA-N 0 1 381.476 3.697 20 5 GHBDMN COc1cccc([C@@H](C)N[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000774854885 913780498 /nfs/dbraw/zinc/78/04/98/913780498.db2.gz LAUFGOZAZVNUKF-VXGBXAGGSA-N 0 1 377.828 3.935 20 5 GHBDMN Cc1ccc(NC(=O)C(C)(C)C)cc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000194631540 893625088 /nfs/dbraw/zinc/62/50/88/893625088.db2.gz MTOBZVXZAVXOKL-UHFFFAOYSA-N 0 1 391.449 3.689 20 5 GHBDMN C[C@@H]1CN(c2ccc(CN[C@H]3CCCc4ccc([N+](=O)[O-])cc43)cn2)C[C@H](C)O1 ZINC000249034748 893644104 /nfs/dbraw/zinc/64/41/04/893644104.db2.gz SDIWUYQXYOABDF-MRUHUIDDSA-N 0 1 396.491 3.771 20 5 GHBDMN CCc1ccc([C@@H](NC2CCC(NC(C)=O)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000563524342 893864340 /nfs/dbraw/zinc/86/43/40/893864340.db2.gz BHXRBYRQOPZUGZ-BPZDKFOGSA-N 0 1 385.464 3.877 20 5 GHBDMN COc1ccc(CN2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)cc1[N+](=O)[O-] ZINC000459658978 894006229 /nfs/dbraw/zinc/00/62/29/894006229.db2.gz JTBXGADOVUVLMQ-INIZCTEOSA-N 0 1 388.386 3.784 20 5 GHBDMN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CCN(C2CCC(C)CC2)CC1 ZINC001185386887 913832112 /nfs/dbraw/zinc/83/21/12/913832112.db2.gz JWVPJZLGNVOVJJ-UHFFFAOYSA-N 0 1 395.887 3.736 20 5 GHBDMN CN(Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000878163091 894062006 /nfs/dbraw/zinc/06/20/06/894062006.db2.gz MJZMSMUBSFFXPM-QGZVFWFLSA-N 0 1 393.447 3.746 20 5 GHBDMN Cc1ccc([C@@H](C)NCC(=O)N[C@H](C)Cc2c(F)cccc2F)cc1[N+](=O)[O-] ZINC000537176777 894499221 /nfs/dbraw/zinc/49/92/21/894499221.db2.gz YDNSWDDZMLVYIC-ZIAGYGMSSA-N 0 1 391.418 3.579 20 5 GHBDMN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000537286115 894704830 /nfs/dbraw/zinc/70/48/30/894704830.db2.gz FOEXKVYVQVLVTF-KRWDZBQOSA-N 0 1 397.475 3.730 20 5 GHBDMN O=C([O-])c1cc(N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)ccc1[N+](=O)[O-] ZINC000565035395 895360482 /nfs/dbraw/zinc/36/04/82/895360482.db2.gz HTONJSTZOIWDMH-UHFFFAOYSA-N 0 1 395.459 3.786 20 5 GHBDMN Cc1ccc2nc([C@@H]3CCCN3C(=O)COc3ccc([N+](=O)[O-])c(F)c3)[nH]c2c1 ZINC000128086988 895412641 /nfs/dbraw/zinc/41/26/41/895412641.db2.gz DCFSJFQJTCJLAJ-SFHVURJKSA-N 0 1 398.394 3.661 20 5 GHBDMN CC(=O)c1cc(NC[C@@H]2CN(Cc3ccccc3)CCCO2)ccc1[N+](=O)[O-] ZINC000567377300 897103729 /nfs/dbraw/zinc/10/37/29/897103729.db2.gz HISNURZIAVRGFN-LJQANCHMSA-N 0 1 383.448 3.500 20 5 GHBDMN COc1cc(CNCc2cccs2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000131309740 897402114 /nfs/dbraw/zinc/40/21/14/897402114.db2.gz QYZQDBXVAPMAEI-UHFFFAOYSA-N 0 1 376.356 3.896 20 5 GHBDMN Cc1cc(S(=O)(=O)Nc2ccc3nc(C4CC4)oc3c2)cc([N+](=O)[O-])c1F ZINC000132465969 897792796 /nfs/dbraw/zinc/79/27/96/897792796.db2.gz NUEJZOMIJCZVHS-UHFFFAOYSA-N 0 1 391.380 3.862 20 5 GHBDMN CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCCN(Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000805792361 898468364 /nfs/dbraw/zinc/46/83/64/898468364.db2.gz BFJUHSFYWVKMAR-FQEVSTJZSA-N 0 1 375.469 3.818 20 5 GHBDMN COc1cc(CN2CC[C@@H](c3ccncc3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000570223251 899204513 /nfs/dbraw/zinc/20/45/13/899204513.db2.gz PZQPOGBHPGRFHP-CQSZACIVSA-N 0 1 393.390 3.632 20 5 GHBDMN CCO[C@H]1C[C@@H](N(C)Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C1(C)C ZINC000570609940 899435954 /nfs/dbraw/zinc/43/59/54/899435954.db2.gz GKBSMUJZTCGVEK-CVEARBPZSA-N 0 1 388.411 3.840 20 5 GHBDMN Cc1c(CN2CCC(n3cc(Br)cn3)CC2)cccc1[N+](=O)[O-] ZINC000332440325 899671534 /nfs/dbraw/zinc/67/15/34/899671534.db2.gz INNKCELJODDOOU-UHFFFAOYSA-N 0 1 379.258 3.699 20 5 GHBDMN CN(Cc1cc(C(C)(C)C)[nH]n1)c1c2cc([N+](=O)[O-])ccc2ncc1[N+](=O)[O-] ZINC001186267077 914405494 /nfs/dbraw/zinc/40/54/94/914405494.db2.gz LAURZWVPQOEPRK-UHFFFAOYSA-N 0 1 384.396 3.708 20 5 GHBDMN Cc1cc(Cl)c(C(=O)NC[C@H](C)N2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000825431892 900140689 /nfs/dbraw/zinc/14/06/89/900140689.db2.gz CKFYFCHILQLERO-AWEZNQCLSA-N 0 1 387.867 3.733 20 5 GHBDMN Cc1cc(Cl)c(C(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)cc1[N+](=O)[O-] ZINC000825504007 900202557 /nfs/dbraw/zinc/20/25/57/900202557.db2.gz LEQRGOMDYWQGQU-KRWDZBQOSA-N 0 1 379.819 3.728 20 5 GHBDMN CC(C)(C)OC(=O)NCCC1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000844441909 900864760 /nfs/dbraw/zinc/86/47/60/900864760.db2.gz ASFBRMHJWINBGC-UHFFFAOYSA-N 0 1 381.448 3.861 20 5 GHBDMN Cc1csc(C[C@@H]2CCCN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)n1 ZINC000886699063 901233190 /nfs/dbraw/zinc/23/31/90/901233190.db2.gz SEVBHAHZDDAQND-AWEZNQCLSA-N 0 1 389.477 3.681 20 5 GHBDMN COc1cc(CN[C@@H]2c3ccccc3CC23CCOCC3)c([N+](=O)[O-])cc1F ZINC000290246346 914594610 /nfs/dbraw/zinc/59/46/10/914594610.db2.gz ZQTIYKYTVXRWPE-HXUWFJFHSA-N 0 1 386.423 3.926 20 5 GHBDMN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1ccc(Nc2ccncc2)cc1 ZINC001144590148 902436286 /nfs/dbraw/zinc/43/62/86/902436286.db2.gz XMLSQAQIDSOAFP-UHFFFAOYSA-N 0 1 387.399 3.749 20 5 GHBDMN Cc1cc(C[C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)n[nH]1 ZINC000159253605 902775313 /nfs/dbraw/zinc/77/53/13/902775313.db2.gz YLFKHMXJFDIQNP-CQSZACIVSA-N 0 1 393.447 3.599 20 5 GHBDMN O=[N+]([O-])c1cccc([C@H](NC[C@@H](O)COc2cccc(F)c2)c2ccccc2)c1 ZINC000779022394 903030647 /nfs/dbraw/zinc/03/06/47/903030647.db2.gz BDWMTGZCNBCDJQ-IFMALSPDSA-N 0 1 396.418 3.853 20 5 GHBDMN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(N3CCN(C)CC3)cc2C)c1C ZINC000887697048 903494437 /nfs/dbraw/zinc/49/44/37/903494437.db2.gz NHROFOWFLKEBIM-UHFFFAOYSA-N 0 1 382.464 3.524 20 5 GHBDMN O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@H](CO)c1cccc(Br)c1 ZINC000578378894 903781882 /nfs/dbraw/zinc/78/18/82/903781882.db2.gz SFEXWPNWWFCGHJ-JKSUJKDBSA-N 0 1 377.238 3.668 20 5 GHBDMN C[C@]1(Cc2ccc(F)cc2)CCCN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001171308675 903813807 /nfs/dbraw/zinc/81/38/07/903813807.db2.gz SIYLZCYHGQFTGU-JOCHJYFZSA-N 0 1 397.450 3.720 20 5 GHBDMN CN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCCN(c2ccccc2)C1 ZINC000174677552 905321612 /nfs/dbraw/zinc/32/16/12/905321612.db2.gz WAAHTWLRITUVBG-IBGZPJMESA-N 0 1 393.447 3.746 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N[C@@H](c2ncccc2F)C2CC2)c1F ZINC001173178094 906254383 /nfs/dbraw/zinc/25/43/83/906254383.db2.gz HKKQNNXNWWSYTL-ADLMAVQZSA-N 0 1 377.391 3.949 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CC[C@@H](Oc3ccncc3C)C2)c1F ZINC001173193947 906278770 /nfs/dbraw/zinc/27/87/70/906278770.db2.gz SDIYZRSURDDKEH-HUUCEWRRSA-N 0 1 389.427 3.530 20 5 GHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCCCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000773370133 906337463 /nfs/dbraw/zinc/33/74/63/906337463.db2.gz YRRYWOVFUKTZMH-XLIONFOSSA-N 0 1 384.432 3.809 20 5 GHBDMN C[C@H](NCc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000178650487 906368213 /nfs/dbraw/zinc/36/82/13/906368213.db2.gz JHONDPKCSGSNGC-ZACQAIPSSA-N 0 1 397.475 3.695 20 5 GHBDMN C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000194059511 908856522 /nfs/dbraw/zinc/85/65/22/908856522.db2.gz JMMCULSACCDPEP-WDEREUQCSA-N 0 1 392.799 3.834 20 5 GHBDMN Cc1cc(Br)cn2c(CNCc3ccc(C)c([N+](=O)[O-])c3)cnc12 ZINC001179386651 909515731 /nfs/dbraw/zinc/51/57/31/909515731.db2.gz QMHYFRQJDUASMA-UHFFFAOYSA-N 0 1 389.253 3.912 20 5 GHBDMN CCOc1cc(N2CCN(Cc3ccc4[nH]ccc4c3)CC2)ccc1[N+](=O)[O-] ZINC001181391510 910755776 /nfs/dbraw/zinc/75/57/76/910755776.db2.gz ZZOBZVIYXYZICU-UHFFFAOYSA-N 0 1 380.448 3.797 20 5 GHBDMN Cc1cc(C2CCN([C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)[nH]n1 ZINC000271653349 911003834 /nfs/dbraw/zinc/00/38/34/911003834.db2.gz SNDHLJZYLPQESB-CYBMUJFWSA-N 0 1 382.424 3.617 20 5 GHBDMN O=C1[C@H](N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCCN1Cc1ccccc1 ZINC000774264879 911587740 /nfs/dbraw/zinc/58/77/40/911587740.db2.gz CMBGBLHOSOWXKI-NHCUHLMSSA-N 0 1 379.460 3.753 20 5 GHBDMN C[C@H](N[C@@H]1CCN(C)[C@H]1c1ccccc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000284448008 911871362 /nfs/dbraw/zinc/87/13/62/911871362.db2.gz ZWKLTKLDLSPZFJ-KYNGSXCRSA-N 0 1 393.447 3.741 20 5 GHBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1C[C@H]2OCCN(Cc3ccccc3)[C@H]2C1 ZINC001182865202 912088781 /nfs/dbraw/zinc/08/87/81/912088781.db2.gz UNSIFTGCAYCYRN-BLSTYFGJSA-N 0 1 393.487 3.583 20 5 GHBDMN CC[C@H](N[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1ccccc1OC ZINC000775080342 914988602 /nfs/dbraw/zinc/98/86/02/914988602.db2.gz LRMSTLHHPCXQEG-CJNGLKHVSA-N 0 1 387.436 3.680 20 5 GHBDMN COc1ccc(NC(=O)CN2C[C@H](c3ccccc3C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000303754305 915086079 /nfs/dbraw/zinc/08/60/79/915086079.db2.gz MQMYQCCHNDDWIJ-JKSUJKDBSA-N 0 1 383.448 3.728 20 5 GHBDMN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000303940613 915328136 /nfs/dbraw/zinc/32/81/36/915328136.db2.gz YLTNDNYNDUWUBA-HNNXBMFYSA-N 0 1 387.867 3.985 20 5 GHBDMN CCn1c(SCc2n[nH]c(C(C)(C)C)n2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000292375231 915643000 /nfs/dbraw/zinc/64/30/00/915643000.db2.gz GTUMFEJWQGQDHC-UHFFFAOYSA-N 0 1 387.469 3.581 20 5 GHBDMN Cc1cc(C2CCN(C(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)CC2)n[nH]1 ZINC000294528071 916848126 /nfs/dbraw/zinc/84/81/26/916848126.db2.gz KNMKOETZDLGLBZ-UHFFFAOYSA-N 0 1 382.342 3.665 20 5 GHBDMN CCC[C@H](O)CN1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC001190348250 917277776 /nfs/dbraw/zinc/27/77/76/917277776.db2.gz KEMYLZFMASUMGV-INIZCTEOSA-N 0 1 389.521 3.602 20 5 GHBDMN CCc1cccc(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])c1 ZINC001192003411 918333795 /nfs/dbraw/zinc/33/37/95/918333795.db2.gz PFJQOWICRITUAL-UHFFFAOYSA-N 0 1 389.260 3.943 20 5 GHBDMN O=C(Nc1ncc(C2CCOCC2)s1)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000297076140 919025945 /nfs/dbraw/zinc/02/59/45/919025945.db2.gz XEBBJIDYAULDIU-UHFFFAOYSA-N 0 1 399.432 3.588 20 5 GHBDMN COc1cccc([C@H](Cc2cc(C)cc(C)c2)NC(=O)c2n[nH]cc2[N+](=O)[O-])c1 ZINC000119513730 919636037 /nfs/dbraw/zinc/63/60/37/919636037.db2.gz DYVZWVLMHPOXCU-SFHVURJKSA-N 0 1 394.431 3.657 20 5 GHBDMN Cc1c(Cl)cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)cc1[N+](=O)[O-] ZINC000119808353 919658014 /nfs/dbraw/zinc/65/80/14/919658014.db2.gz IGAIUISPDQCRCW-UHFFFAOYSA-N 0 1 385.785 3.574 20 5 GHBDMN O=C([C@H]1CC12CCN(C/C=C/c1ccccc1[N+](=O)[O-])CC2)N1CCCCC1 ZINC000364725800 919909626 /nfs/dbraw/zinc/90/96/26/919909626.db2.gz VFRNAMNCWQHUFH-ZLQZBKBYSA-N 0 1 383.492 3.723 20 5 GHBDMN C[C@H](NCc1cnc2n1CCOC2)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000903418882 923002762 /nfs/dbraw/zinc/00/27/62/923002762.db2.gz PXNSSWSQAVFDHZ-ZDUSSCGKSA-N 0 1 384.461 3.901 20 5 GHBDMN O=C(CCN(Cc1ccc(F)cc1F)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000409871090 925081454 /nfs/dbraw/zinc/08/14/54/925081454.db2.gz CWLJSYMQDJWYGA-UHFFFAOYSA-N 0 1 375.375 3.866 20 5 GHBDMN CC(=O)Nc1c[nH]nc1[C@H]1CCCN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)C1 ZINC000372159699 925205221 /nfs/dbraw/zinc/20/52/21/925205221.db2.gz DORFSUBOESWXTR-AWEZNQCLSA-N 0 1 394.435 3.517 20 5 GHBDMN C[C@H]1CN(Cc2ccc(CNC(=O)Nc3cccc([N+](=O)[O-])c3)cc2)C[C@H](C)O1 ZINC000410368027 925589303 /nfs/dbraw/zinc/58/93/03/925589303.db2.gz SOGOTAJNVIDWBA-HOTGVXAUSA-N 0 1 398.463 3.526 20 5 GHBDMN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1CCOc1ccccc1[N+](=O)[O-] ZINC000726602658 926756896 /nfs/dbraw/zinc/75/68/96/926756896.db2.gz YIEBBZRUFQWXHB-HZPDHXFCSA-N 0 1 393.484 3.741 20 5 GHBDMN C[C@H](NC/C=C\c1ccccc1[N+](=O)[O-])C(=O)Nc1cccc(N2CCCC2)c1 ZINC000726606079 926759727 /nfs/dbraw/zinc/75/97/27/926759727.db2.gz SKYIXLLWBWLGSF-KMDWOBIYSA-N 0 1 394.475 3.825 20 5 GHBDMN CCc1ccc([C@H](CC)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000544574420 929299956 /nfs/dbraw/zinc/29/99/56/929299956.db2.gz UYQNEJLQFYCRHF-IBGZPJMESA-N 0 1 376.478 3.672 20 5 GHBDMN CN(C)[C@@H]1CCOc2c(NC(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)cccc21 ZINC000469201715 929683171 /nfs/dbraw/zinc/68/31/71/929683171.db2.gz XSECHUWDIMHGTJ-MRXNPFEDSA-N 0 1 380.404 3.714 20 5 GHBDMN Cc1c(C(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)cccc1[N+](=O)[O-] ZINC000469485753 929931085 /nfs/dbraw/zinc/93/10/85/929931085.db2.gz KKWPNCIQEMBQNC-KRWDZBQOSA-N 0 1 395.381 3.955 20 5 GHBDMN Cc1cc(C(=O)NC[C@H](c2cccc(C(F)(F)F)c2)N(C)C)cc([N+](=O)[O-])c1 ZINC000469497789 929943631 /nfs/dbraw/zinc/94/36/31/929943631.db2.gz NZKODWWEVXIJHO-QGZVFWFLSA-N 0 1 395.381 3.955 20 5 GHBDMN O=[N+]([O-])c1ccc(SCc2nc(Cc3nnc(-c4ccccc4)[nH]3)no2)cc1 ZINC000546420104 930147975 /nfs/dbraw/zinc/14/79/75/930147975.db2.gz MLMFVYPZWVYVBP-UHFFFAOYSA-N 0 1 394.416 3.646 20 5 GHBDMN NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000470147682 930406890 /nfs/dbraw/zinc/40/68/90/930406890.db2.gz PZCNZVHRJUELQO-MIUNTBIASA-N 0 1 389.839 3.594 20 5 GHBDMN NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000470147682 930406891 /nfs/dbraw/zinc/40/68/91/930406891.db2.gz PZCNZVHRJUELQO-MIUNTBIASA-N 0 1 389.839 3.594 20 5 GHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N(Cc1ccccc1)C[C@@H](O)c1cccs1 ZINC000780629278 930563096 /nfs/dbraw/zinc/56/30/96/930563096.db2.gz OYVYQAZUPPNPBK-GOSISDBHSA-N 0 1 398.440 3.738 20 5 GHBDMN O=[N+]([O-])c1cnn(CCSc2nc(-c3cc(Cl)cc(Cl)c3)n[nH]2)c1 ZINC000470848303 930970133 /nfs/dbraw/zinc/97/01/33/930970133.db2.gz LYKQWKXEELYKCK-UHFFFAOYSA-N 0 1 385.236 3.676 20 5 GHBDMN Cc1cc(N2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000782960657 931375486 /nfs/dbraw/zinc/37/54/86/931375486.db2.gz VEFWBRZRUUGOSA-HNNXBMFYSA-N 0 1 386.452 3.897 20 5 GHBDMN Cc1ccc(N(C)[C@H]2CCCN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)cc1 ZINC000784375760 931874604 /nfs/dbraw/zinc/87/46/04/931874604.db2.gz VEBROOQMIDNZJV-FQEVSTJZSA-N 0 1 397.475 3.871 20 5 GHBDMN CCc1ccc([C@@H](NC[C@H]2CCN2C2CCOCC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000927105882 932414535 /nfs/dbraw/zinc/41/45/35/932414535.db2.gz VSTDLPRWFWAJRU-KNQAVFIVSA-N 0 1 399.491 3.683 20 5 GHBDMN Cc1noc(C)c1CN(Cc1c(C)noc1C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000559094704 932430508 /nfs/dbraw/zinc/43/05/08/932430508.db2.gz LJUMCNISLWYTON-UHFFFAOYSA-N 0 1 386.408 3.712 20 5 GHBDMN CC(C)CC[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccoc1 ZINC000560549234 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/nfs/dbraw/zinc/50/74/04/1015507404.db2.gz CCQIXRUCXURDGH-UHFFFAOYSA-N 0 1 396.794 3.598 20 5 GHBDMN COc1ccc(OCCN2CCC[C@H]2CC(=O)c2cccs2)c([N+](=O)[O-])c1 ZINC000468288497 1015549021 /nfs/dbraw/zinc/54/90/21/1015549021.db2.gz KDEROCHUOSHHPT-AWEZNQCLSA-N 0 1 390.461 3.781 20 5 GHBDMN CN1CCCC(C)(C)[C@@H]1CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000468490389 1015749106 /nfs/dbraw/zinc/74/91/06/1015749106.db2.gz YVKUVIXJQADSKB-SFHVURJKSA-N 0 1 395.478 3.671 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001599622173 994098787 /nfs/dbraw/zinc/09/87/87/994098787.db2.gz AVDOVNIAGMMHLJ-HNNXBMFYSA-N 0 1 385.203 3.826 20 5 GHBDMN C[C@H]1CN(Cc2ccc(-c3nc(-c4ccc([N+](=O)[O-])cc4)no3)cc2)C[C@H](C)O1 ZINC000545552623 1016027196 /nfs/dbraw/zinc/02/71/96/1016027196.db2.gz OUULBGYMQPRIQI-GJZGRUSLSA-N 0 1 394.431 3.921 20 5 GHBDMN Cc1ccn(-c2ccccc2NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)n1 ZINC000469103157 1016482469 /nfs/dbraw/zinc/48/24/69/1016482469.db2.gz VYRRPPZAZTXOLV-UHFFFAOYSA-N 0 1 386.433 3.507 20 5 GHBDMN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)c1 ZINC000470604353 1016832919 /nfs/dbraw/zinc/83/29/19/1016832919.db2.gz BSKOYWZXXFTVJK-KRWDZBQOSA-N 0 1 395.381 3.955 20 5 GHBDMN C[C@@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccccc1C(F)(F)F ZINC000557545321 1017013392 /nfs/dbraw/zinc/01/33/92/1017013392.db2.gz CBJKFQSVHKPKHL-GFCCVEGCSA-N 0 1 393.365 3.854 20 5 GHBDMN CC(C)Oc1ncc(Cl)cc1COc1[nH]c(=O)nc2ccc([N+](=O)[O-])cc21 ZINC001227094503 1032268786 /nfs/dbraw/zinc/26/87/86/1032268786.db2.gz GQGPMNZXTYDYBW-UHFFFAOYSA-N 0 1 390.783 3.658 20 5 GHBDMN CSc1nc(O[C@@H]2CCc3c2cccc3Br)c([N+](=O)[O-])c(=O)[nH]1 ZINC001227629753 1032492458 /nfs/dbraw/zinc/49/24/58/1032492458.db2.gz XLULAKSWEJBSHC-SNVBAGLBSA-N 0 1 398.238 3.641 20 5 GHBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCCCCCOC1CCCCC1 ZINC000558277664 1017154744 /nfs/dbraw/zinc/15/47/44/1017154744.db2.gz WKIIJEPULANENR-UHFFFAOYSA-N 0 1 388.461 3.532 20 5 GHBDMN COC(=O)c1c2[nH]ncc2ccc1NC(=O)c1ccnc2c1ccc1cccnc12 ZINC001155816188 1032722399 /nfs/dbraw/zinc/72/23/99/1032722399.db2.gz SECDOVQMCFRJBY-UHFFFAOYSA-N 0 1 397.394 3.698 20 5 GHBDMN O=c1nc2cc([N+](=O)[O-])ccc2c(O[C@H]2CC[C@@H](OCc3ccccc3)C2)[nH]1 ZINC001228243745 1032859588 /nfs/dbraw/zinc/85/95/88/1032859588.db2.gz BIMMYIFIURWWFS-CVEARBPZSA-N 0 1 381.388 3.760 20 5 GHBDMN CCOc1ccc([N+](=O)[O-])cc1CNC[C@H](O)c1cccc(Br)c1 ZINC000800289728 1021300821 /nfs/dbraw/zinc/30/08/21/1021300821.db2.gz SLXYILSJHYSBTP-INIZCTEOSA-N 0 1 395.253 3.579 20 5 GHBDMN COC(=O)c1cc(O[C@H]2CCN(Cc3ccccc3Cl)C2)cc([N+](=O)[O-])c1 ZINC001228770194 1033087708 /nfs/dbraw/zinc/08/77/08/1033087708.db2.gz HMLLYJLIQUYSCU-INIZCTEOSA-N 0 1 390.823 3.688 20 5 GHBDMN COC(=O)c1cc([N+](=O)[O-])c(O[C@@H]2CCCc3c(Cl)ccnc32)cc1O ZINC001228814207 1033114070 /nfs/dbraw/zinc/11/40/70/1033114070.db2.gz KEPSCCXMTZZXAW-CQSZACIVSA-N 0 1 378.768 3.592 20 5 GHBDMN COC(=O)c1cc([N+](=O)[O-])c(O[C@H](C)c2c(Cl)cncc2Cl)cc1O ZINC001228815652 1033114530 /nfs/dbraw/zinc/11/45/30/1033114530.db2.gz WYTCDMFJIZCTSH-SSDOTTSWSA-N 0 1 387.175 3.929 20 5 GHBDMN Cc1cnc([C@H](C)NS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)s1 ZINC000830799935 1024155304 /nfs/dbraw/zinc/15/53/04/1024155304.db2.gz VMKAXJNODSTQJK-ZETCQYMHSA-N 0 1 396.277 3.706 20 5 GHBDMN O=C(OCc1cc(O)ccc1[N+](=O)[O-])C1(c2ccccc2Cl)CCOCC1 ZINC000837510435 1024516188 /nfs/dbraw/zinc/51/61/88/1024516188.db2.gz ISWRGRJGQOWEDL-UHFFFAOYSA-N 0 1 391.807 3.745 20 5 GHBDMN CC(F)(F)CCCNS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000831683586 1024737835 /nfs/dbraw/zinc/73/78/35/1024737835.db2.gz WBTRIACAMPMDBJ-UHFFFAOYSA-N 0 1 377.196 3.615 20 5 GHBDMN Cc1cc([N+](=O)[O-])c(F)c(C(=O)NCCN2CC=C(C(C)(C)C)CC2)c1F ZINC000832406513 1025532314 /nfs/dbraw/zinc/53/23/14/1025532314.db2.gz XLODNPUAXXJGRP-UHFFFAOYSA-N 0 1 381.423 3.589 20 5 GHBDMN COC[C@H](C)Nc1ccccc1NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001139529508 1026388185 /nfs/dbraw/zinc/38/81/85/1026388185.db2.gz FWLYHQJQBIPUSB-ZDUSSCGKSA-N 0 1 395.419 3.684 20 5 GHBDMN COc1cc(CN[C@@H]2CCc3cc(Br)ccc32)c([N+](=O)[O-])cc1O ZINC001203503944 1027388585 /nfs/dbraw/zinc/38/85/85/1027388585.db2.gz KOBKKPJJARMNDV-CQSZACIVSA-N 0 1 393.237 3.849 20 5 GHBDMN CC(C)(/C=C/Cl)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC001203734698 1027562068 /nfs/dbraw/zinc/56/20/68/1027562068.db2.gz UVBUFTXQXCVPOQ-ONEGZZNKSA-N 0 1 380.613 3.820 20 5 GHBDMN CCN1CCC[C@@H](NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1=O ZINC001203770788 1027593806 /nfs/dbraw/zinc/59/38/06/1027593806.db2.gz ITVJZMOSXUPEHD-QGZVFWFLSA-N 0 1 387.411 3.627 20 5 GHBDMN CC1(C)CC(=O)c2ccc(-c3noc(-c4ccc(O)cc4[N+](=O)[O-])n3)cc2O1 ZINC001216893306 1029983919 /nfs/dbraw/zinc/98/39/19/1029983919.db2.gz CVCUYJYDCOTLRD-UHFFFAOYSA-N 0 1 381.344 3.761 20 5 GHBDMN Cc1c([N+](=O)[O-])ccc(F)c1-c1nc(-c2ccccc2N2CCN(C)CC2)no1 ZINC001216957222 1030029556 /nfs/dbraw/zinc/02/95/56/1030029556.db2.gz MSRRIKCYMPPNRM-UHFFFAOYSA-N 0 1 397.410 3.511 20 5 GHBDMN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001217146907 1030195881 /nfs/dbraw/zinc/19/58/81/1030195881.db2.gz JLAJOZWSFAENBX-NVXWUHKLSA-N 0 1 398.463 3.951 20 5 GHBDMN Nc1ccc2n(C(=O)c3cc4cccc(O)c4cc3O)c3ccccc3cc-2c1=O ZINC001149654111 1030255703 /nfs/dbraw/zinc/25/57/03/1030255703.db2.gz VKKGQZOIGKPSPD-UHFFFAOYSA-N 0 1 396.402 3.941 20 5 GHBDMN O=c1c2cc(O)ccc2oc2cc([O-])cc(O[C@@H]3C[NH2+]Cc4ccccc43)c12 ZINC001218492840 1030960441 /nfs/dbraw/zinc/96/04/41/1030960441.db2.gz DNDRUHRJIVGNBM-HXUWFJFHSA-N 0 1 375.380 3.581 20 5 GHBDMN CCC(=O)N(C)c1ccc(NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)cc1 ZINC001153548865 1031644446 /nfs/dbraw/zinc/64/44/46/1031644446.db2.gz YRAXOCXOPIYHTN-UHFFFAOYSA-N 0 1 393.403 3.610 20 5 GHBDMN N[C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)NCCOC(F)(F)F ZINC001220138702 1031798204 /nfs/dbraw/zinc/79/82/04/1031798204.db2.gz DCNPZZZKGSDCOA-SFHVURJKSA-N 0 1 376.378 3.515 20 5 GHBDMN CC1(C)C[C@@H](NC(=O)[C@@H](N)Cc2c3ccccc3cc3ccccc32)CCO1 ZINC001220218998 1031842422 /nfs/dbraw/zinc/84/24/22/1031842422.db2.gz MOOOCWGFERWSOO-AVRDEDQJSA-N 0 1 376.500 3.937 20 5 GHBDMN CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3ccc(-c4ccccc4)cc3[N+](=O)[O-])C[C@H]1N2C ZINC001226386639 1031941688 /nfs/dbraw/zinc/94/16/88/1031941688.db2.gz POMIJYTZXXPUKA-VWNVYAMZSA-N 0 1 396.443 3.807 20 5 GHBDMN COC(=O)c1ccc(C)c([N+](=O)[O-])c1O[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001229899254 1033782804 /nfs/dbraw/zinc/78/28/04/1033782804.db2.gz KDCPWWMKGAIUFF-QGZVFWFLSA-N 0 1 384.432 3.733 20 5 GHBDMN Cc1cnc(CN)n1C(F)(F)c1cnc(Cl)c(-c2cccc([N+](=O)[O-])c2)c1 ZINC001158168894 1033950456 /nfs/dbraw/zinc/95/04/56/1033950456.db2.gz AQMBWZBXAZJUPW-UHFFFAOYSA-N 0 1 393.781 3.871 20 5 GHBDMN CC(=O)Nc1ccc([N+](=O)[O-])cc1O[C@@H]1CCCN([C@@H](C)c2ccccn2)C1 ZINC001230251286 1033962155 /nfs/dbraw/zinc/96/21/55/1033962155.db2.gz PCIGRFPVJBMFRS-WMLDXEAASA-N 0 1 384.436 3.553 20 5 GHBDMN COc1c(O)ccc(CN2CC[C@@H](c3cc(C)c(Cl)cc3O)C2)c1[N+](=O)[O-] ZINC001206761656 1033973806 /nfs/dbraw/zinc/97/38/06/1033973806.db2.gz DNCJATJAZHJDDS-GFCCVEGCSA-N 0 1 392.839 3.966 20 5 GHBDMN CCOC(=O)c1ccc(O[C@H]2CCC[N@H+]([C@@H](C)c3ccccn3)C2)cc1[N+](=O)[O-] ZINC001230916902 1034285851 /nfs/dbraw/zinc/28/58/51/1034285851.db2.gz FUAFLLHVGNLEIX-RDJZCZTQSA-N 0 1 399.447 3.771 20 5 GHBDMN CCOC(=O)c1ccc(O[C@H]2CCCN([C@@H](C)c3ccccn3)C2)cc1[N+](=O)[O-] ZINC001230916902 1034285862 /nfs/dbraw/zinc/28/58/62/1034285862.db2.gz FUAFLLHVGNLEIX-RDJZCZTQSA-N 0 1 399.447 3.771 20 5 GHBDMN C[C@@H](c1ccccn1)N1CC[C@@H](Oc2ccc3nc4ccc(=O)cc-4oc3c2)C1 ZINC001231333765 1034526704 /nfs/dbraw/zinc/52/67/04/1034526704.db2.gz CODHXHXHTHCATN-MAUKXSAKSA-N 0 1 387.439 3.902 20 5 GHBDMN O=C(Nc1c(=O)[nH][nH]c1-c1ccccc1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC001159366818 1034567509 /nfs/dbraw/zinc/56/75/09/1034567509.db2.gz SECDZWCAYLMWAH-UHFFFAOYSA-N 0 1 390.302 3.544 20 5 GHBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC[C@H](NC(=O)c2ccccc2)C1 ZINC001461916891 1069880289 /nfs/dbraw/zinc/88/02/89/1069880289.db2.gz QPVWWUDCEPCZNR-NXNYUAIASA-N 0 1 379.460 3.893 20 5 GHBDMN COc1cccc(CN2CC[C@H](Nc3nc(C)cc(Cl)c3[N+](=O)[O-])C2)c1 ZINC001161188173 1035171946 /nfs/dbraw/zinc/17/19/46/1035171946.db2.gz RQXGOJZNKXTEJN-AWEZNQCLSA-N 0 1 376.844 3.647 20 5 GHBDMN COc1c(O)ccc(CN2CCC(c3nc4ccccc4[nH]3)CC2)c1[N+](=O)[O-] ZINC001462009295 1069943061 /nfs/dbraw/zinc/94/30/61/1069943061.db2.gz VDSPNGBGGSOSNH-UHFFFAOYSA-N 0 1 382.420 3.565 20 5 GHBDMN O=[N+]([O-])c1ccc(CNC[C@@H](O)c2ccccc2Br)c(Cl)c1 ZINC001462338749 1070183627 /nfs/dbraw/zinc/18/36/27/1070183627.db2.gz QCABGMKTMAMWDE-OAHLLOKOSA-N 0 1 385.645 3.834 20 5 GHBDMN COc1cc(CC[N+](=O)[O-])ccc1O[C@@H]1CCCN([C@@H](C)c2ccccn2)C1 ZINC001233985492 1039744488 /nfs/dbraw/zinc/74/44/88/1039744488.db2.gz YVWBRFDHNQIWKD-FUHWJXTLSA-N 0 1 385.464 3.514 20 5 GHBDMN CC(C)=CCc1c(O)cc(O[C@@H]2COC(=O)C2)c2c(=O)c3cccc(O)c3oc12 ZINC001234742343 1040267976 /nfs/dbraw/zinc/26/79/76/1040267976.db2.gz XMBSHWJPKQKTPO-LBPRGKRZSA-N 0 1 396.395 3.560 20 5 GHBDMN CC(C)=CCc1c(O)cc2oc3ccc(O)cc3c(=O)c2c1O[C@@H]1COC(=O)C1 ZINC001234741216 1040268171 /nfs/dbraw/zinc/26/81/71/1040268171.db2.gz PUWHOBVFYYMVHF-ZDUSSCGKSA-N 0 1 396.395 3.560 20 5 GHBDMN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCN(C(=O)OC(C)(C)C)C[C@H](C)C1 ZINC001254551739 1040319252 /nfs/dbraw/zinc/31/92/52/1040319252.db2.gz FAPCLESHSQBNHC-CVEARBPZSA-N 0 1 377.485 3.715 20 5 GHBDMN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCc2ncc(Br)cc2C1 ZINC001254563616 1040339329 /nfs/dbraw/zinc/33/93/29/1040339329.db2.gz ZLUDTDSJQSNQQG-GFCCVEGCSA-N 0 1 376.254 3.742 20 5 GHBDMN C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](N2Cc3ccccc3NC2=O)C1 ZINC001254570036 1040346320 /nfs/dbraw/zinc/34/63/20/1040346320.db2.gz MFAPPLMORDBVTP-QAPCUYQASA-N 0 1 380.448 3.648 20 5 GHBDMN CC(=O)Nc1cccc(S(=O)(=O)Nc2cccc3nc4ccccc4nc32)c1 ZINC001260811097 1045677948 /nfs/dbraw/zinc/67/79/48/1045677948.db2.gz DSTTUFMMNFDLRN-UHFFFAOYSA-N 0 1 392.440 3.542 20 5 GHBDMN Cc1cc(Cl)ccc1C(=O)Nc1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC001289292899 1049406589 /nfs/dbraw/zinc/40/65/89/1049406589.db2.gz WVXQTKKUQRFDMM-UHFFFAOYSA-N 0 1 388.855 3.561 20 5 GHBDMN C[C@]1(Cc2ccccc2F)CCCN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001307872053 1049653789 /nfs/dbraw/zinc/65/37/89/1049653789.db2.gz KFYLNEMGASMXMJ-JOCHJYFZSA-N 0 1 397.450 3.720 20 5 GHBDMN C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC001290962666 1049961512 /nfs/dbraw/zinc/96/15/12/1049961512.db2.gz YJTUYLHNYCKQSH-IYBDPMFKSA-N 0 1 397.475 3.708 20 5 GHBDMN CCS[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC001309280053 1050550924 /nfs/dbraw/zinc/55/09/24/1050550924.db2.gz KHXLVMBBUJNAJA-NWDGAFQWSA-N 0 1 396.893 3.730 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N[C@H](c2ccccn2)C2CCC2)c1 ZINC001328850487 1050658776 /nfs/dbraw/zinc/65/87/76/1050658776.db2.gz HUWUMRZDLQISOO-INIZCTEOSA-N 0 1 399.831 3.602 20 5 GHBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1cc(C2CC2)[nH]c1C1CC1 ZINC001331795602 1051375721 /nfs/dbraw/zinc/37/57/21/1051375721.db2.gz JVBVZCOVFVAOAG-UHFFFAOYSA-N 0 1 378.392 3.715 20 5 GHBDMN Cc1nccn1-c1ccncc1NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC001318586187 1054734601 /nfs/dbraw/zinc/73/46/01/1054734601.db2.gz QDLZCCMDTYANJZ-LBPRGKRZSA-N 0 1 383.433 3.603 20 5 GHBDMN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cnccc1-n1ccnc1C ZINC001320543682 1055872467 /nfs/dbraw/zinc/87/24/67/1055872467.db2.gz PPUBUBILBLRFGI-MRXNPFEDSA-N 0 1 379.420 3.691 20 5 GHBDMN NC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001320643036 1055912657 /nfs/dbraw/zinc/91/26/57/1055912657.db2.gz LFEFYFMJLKZLHU-VZSAFFHGSA-N 0 1 389.839 3.594 20 5 GHBDMN C[C@H](C(=O)OCc1ccc([N+](=O)[O-])cc1Br)N1[C@H](C)CC[C@@H]1C ZINC001320679000 1055925997 /nfs/dbraw/zinc/92/59/97/1055925997.db2.gz ZHRXIKWZVAWRNC-GRYCIOLGSA-N 0 1 385.258 3.662 20 5 GHBDMN Cc1ccc(CN2CCCN(C(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)CC2)cc1 ZINC001324578563 1057169180 /nfs/dbraw/zinc/16/91/80/1057169180.db2.gz ZPNIMMAPGAHVJH-UHFFFAOYSA-N 0 1 392.459 3.733 20 5 GHBDMN O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc2nc(CN3CCCCC3)[nH]c2c1 ZINC001325990523 1057392351 /nfs/dbraw/zinc/39/23/51/1057392351.db2.gz GQXJDESUWDWDBP-UHFFFAOYSA-N 0 1 393.447 3.638 20 5 GHBDMN CCC(=O)Nc1ccc(C)c(NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)c1 ZINC001441525010 1058806935 /nfs/dbraw/zinc/80/69/35/1058806935.db2.gz IUIJUWINLHCCNO-UHFFFAOYSA-N 0 1 393.403 3.894 20 5 GHBDMN COc1ccc2nc([C@@H](C)NC(=O)c3cc([N+](=O)[O-])ccc3SC)[nH]c2c1 ZINC001448114374 1060109906 /nfs/dbraw/zinc/10/99/06/1060109906.db2.gz HIZMJZCNOQPARD-SNVBAGLBSA-N 0 1 386.433 3.693 20 5 GHBDMN O=C(Nc1cccc2c(Br)ccnc12)c1cc(O)cc([N+](=O)[O-])c1 ZINC001449640020 1060438932 /nfs/dbraw/zinc/43/89/32/1060438932.db2.gz OUPFXCSFXWLXGF-UHFFFAOYSA-N 0 1 388.177 3.863 20 5 GHBDMN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1nc(-c2ccc3ccccc3n2)n[nH]1 ZINC001450075512 1060524031 /nfs/dbraw/zinc/52/40/31/1060524031.db2.gz OFXFRATUYXWNGW-UHFFFAOYSA-N 0 1 388.387 3.797 20 5 GHBDMN COc1ccccc1[C@H]1CCCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])CC1 ZINC001455097298 1062003538 /nfs/dbraw/zinc/00/35/38/1062003538.db2.gz FLHRXXVOCLGHOD-AWEZNQCLSA-N 0 1 386.452 3.860 20 5 GHBDMN C[C@@H](NC(=O)c1n[nH]c2ccc(Br)cc21)c1ccc([N+](=O)[O-])cc1 ZINC001455648301 1062245949 /nfs/dbraw/zinc/24/59/49/1062245949.db2.gz XNSFYVICQCWFNL-SECBINFHSA-N 0 1 389.209 3.725 20 5 GHBDMN CCN1C[C@@H](C)N(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C[C@@H]1C ZINC001435741754 1062904399 /nfs/dbraw/zinc/90/43/99/1062904399.db2.gz YHZRZHLYPPWWQQ-DLBZAZTESA-N 0 1 396.491 3.762 20 5 GHBDMN O=C(NCCOc1ccc(Cl)c(Cl)c1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001436536986 1063512924 /nfs/dbraw/zinc/51/29/24/1063512924.db2.gz IYIMFLBXINANIO-UHFFFAOYSA-N 0 1 395.202 3.587 20 5 GHBDMN CCN1CCN(c2cc(N(C)C(=O)CC(C)(C)CC)cc([N+](=O)[O-])c2)CC1 ZINC001438314451 1064028825 /nfs/dbraw/zinc/02/88/25/1064028825.db2.gz GTTGXLQSNLOGSD-UHFFFAOYSA-N 0 1 376.501 3.526 20 5 GHBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@H](c1ccccc1)c1ccccc1Br ZINC001439051041 1064165359 /nfs/dbraw/zinc/16/53/59/1064165359.db2.gz YMXLNQSXHXRNQA-DJIMGWMZSA-N 0 1 389.249 3.662 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H](C)C2(CCCCC2)C1 ZINC001459993010 1064327782 /nfs/dbraw/zinc/32/77/82/1064327782.db2.gz PCMVZHXLUDGFGP-HNNXBMFYSA-N 0 1 375.469 3.834 20 5 GHBDMN CC(C)(NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC001464342801 1064963237 /nfs/dbraw/zinc/96/32/37/1064963237.db2.gz VLNBSGXKZIJFMH-GFCCVEGCSA-N 0 1 397.280 3.528 20 5 GHBDMN C[C@H]1CN(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)[C@@H](C)CN1Cc1ccccc1 ZINC001466677387 1066251487 /nfs/dbraw/zinc/25/14/87/1066251487.db2.gz VPJTZGDIRGHLSY-GJZGRUSLSA-N 0 1 386.427 3.861 20 5 GHBDMN CN(C)[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)c1cccc(F)c1 ZINC001467069357 1067047342 /nfs/dbraw/zinc/04/73/42/1067047342.db2.gz VPGCFNMSFVAEFD-IBGZPJMESA-N 0 1 397.410 3.707 20 5 GHBDMN COc1ccc2nc([C@H](C)NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)[nH]c2c1 ZINC001467333857 1067233077 /nfs/dbraw/zinc/23/30/77/1067233077.db2.gz QICNMZDCNIMARZ-LBPRGKRZSA-N 0 1 382.420 3.635 20 5 GHBDMN CO[C@@H](CS(=O)(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C)C1CCCC1 ZINC000849308049 1067793713 /nfs/dbraw/zinc/79/37/13/1067793713.db2.gz MBZUXBDSBQIOLB-HNNXBMFYSA-N 0 1 376.862 3.504 20 5 GHBDMN C[C@@H]1CN(Cc2ccccc2)C[C@]2(CCN(Cc3cc(F)ccc3[N+](=O)[O-])C2)O1 ZINC001460690230 1069088010 /nfs/dbraw/zinc/08/80/10/1069088010.db2.gz GHPGVBDFHZNWHK-VGOFRKELSA-N 0 1 399.466 3.599 20 5 GHBDMN Cc1ccccc1[C@H](CO)N(C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC001460779035 1069172831 /nfs/dbraw/zinc/17/28/31/1069172831.db2.gz QOIDIICVYUEXPG-KRWDZBQOSA-N 0 1 379.254 3.831 20 5 GHBDMN C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)N1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001460852729 1069222924 /nfs/dbraw/zinc/22/29/24/1069222924.db2.gz RREKAKYBRNVOLU-WHSLLNHNSA-N 0 1 383.448 3.774 20 5 GHBDMN C[C@@]1(Cc2cc(F)c(F)c(F)c2)CCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC001471578183 1073144710 /nfs/dbraw/zinc/14/47/10/1073144710.db2.gz QIZPZCFBLIQBEF-IBGZPJMESA-N 0 1 394.349 3.955 20 5 GHBDMN CCC[C@H]1CN(c2cccc(C(F)(F)F)c2[N+](=O)[O-])CCN1CCOC ZINC001472735048 1073642548 /nfs/dbraw/zinc/64/25/48/1073642548.db2.gz MWNREBXAOMRXAH-ZDUSSCGKSA-N 0 1 375.391 3.551 20 5 GHBDMN O=[N+]([O-])c1cc(F)c(Sc2nc(-c3ccc4c(c3)OCCO4)n[nH]2)c(F)c1 ZINC001472739953 1073645172 /nfs/dbraw/zinc/64/51/72/1073645172.db2.gz RBZOEVCZQYLYHA-UHFFFAOYSA-N 0 1 392.343 3.581 20 5 GHBDMN Cc1ccc(C[C@H]2CCCN(CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)C2)cc1 ZINC001473133817 1073797243 /nfs/dbraw/zinc/79/72/43/1073797243.db2.gz FELQGUWPXJEQAT-LJQANCHMSA-N 0 1 393.487 3.747 20 5 GHBDMN CCOC(=O)[C@@]1(C(C)C)CCN(Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC001473426630 1073960424 /nfs/dbraw/zinc/96/04/24/1073960424.db2.gz FUQCEWUMFAVWSA-KRWDZBQOSA-N 0 1 399.285 3.769 20 5 GHBDMN C[C@@H]1CN(c2ccc(Cl)c(F)c2)CCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC001473523593 1074000094 /nfs/dbraw/zinc/00/00/94/1074000094.db2.gz KDSPZNHUZZVPLT-CQSZACIVSA-N 0 1 393.846 3.977 20 5 GHBDMN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](c2c[nH]c3ncccc23)C1 ZINC001473720691 1074106258 /nfs/dbraw/zinc/10/62/58/1074106258.db2.gz AJFUBPJFRRZBLZ-HUUCEWRRSA-N 0 1 393.447 3.678 20 5 GHBDMN COc1ccc(NC(=O)[C@H](C)N2CCC[C@@H](C3CCC3)CC2)c([N+](=O)[O-])c1 ZINC001473741683 1074118804 /nfs/dbraw/zinc/11/88/04/1074118804.db2.gz LKLKKGGKASGBCV-GOEBONIOSA-N 0 1 375.469 3.833 20 5 GHBDMN COc1ccc(NC(=O)[C@@H](C)N2CCC[C@H](C3CCC3)CC2)c([N+](=O)[O-])c1 ZINC001473741685 1074119064 /nfs/dbraw/zinc/11/90/64/1074119064.db2.gz LKLKKGGKASGBCV-ZBFHGGJFSA-N 0 1 375.469 3.833 20 5 GHBDMN O=[N+]([O-])c1cccc(OCCN2CCC(Oc3ccc(Cl)cn3)CC2)c1 ZINC001473771647 1074134642 /nfs/dbraw/zinc/13/46/42/1074134642.db2.gz KUVSGKNICGZANA-UHFFFAOYSA-N 0 1 377.828 3.565 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@H]1[C@H](C)c1ccccc1 ZINC001473818674 1074159388 /nfs/dbraw/zinc/15/93/88/1074159388.db2.gz RXYUSHPLIOQDON-BEFAXECRSA-N 0 1 383.448 3.810 20 5 GHBDMN O=[N+]([O-])c1ccc(N2CCN(CCc3cccc(OC(F)(F)F)c3)CC2)cc1 ZINC001474405758 1074390369 /nfs/dbraw/zinc/39/03/69/1074390369.db2.gz CJMJJWRGGTXFFB-UHFFFAOYSA-N 0 1 395.381 3.858 20 5 GHBDMN COC(=O)c1cnc([C@H]2CCN(C/C(C)=C\c3cccc([N+](=O)[O-])c3)C2)s1 ZINC001474730754 1074537151 /nfs/dbraw/zinc/53/71/51/1074537151.db2.gz AQVIWWVPUTVFRP-ODDCISTRSA-N 0 1 387.461 3.731 20 5 GHBDMN Cc1cc(S(=O)(=O)NCc2ccc(C)cc2OCC2CC2)c([N+](=O)[O-])s1 ZINC001475073259 1074724362 /nfs/dbraw/zinc/72/43/62/1074724362.db2.gz MMMBEDUTCONVQQ-UHFFFAOYSA-N 0 1 396.490 3.540 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)NC2CC(c3ccccc3)C2)c1 ZINC001475237841 1074799511 /nfs/dbraw/zinc/79/95/11/1074799511.db2.gz NEJZATAINUJJEO-UHFFFAOYSA-N 0 1 384.816 3.612 20 5 GHBDMN O=C([O-])c1sc2ccccc2c1C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000833347643 601013728 /nfs/dbraw/zinc/01/37/28/601013728.db2.gz OUXOQBVGNSWVAJ-GFCCVEGCSA-N 0 1 398.444 3.589 20 5 GHBDMN CC(C)N(C)Cc1cnc2n1CCN(c1ccc3ccc([N+](=O)[O-])cc3n1)[C@@H]2C ZINC001164859984 720949493 /nfs/dbraw/zinc/94/94/93/720949493.db2.gz OURWJNYULJOUON-OAHLLOKOSA-N 0 1 394.479 3.761 20 5 GHBDMN CCN(CC)[C@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])c1ccccc1Cl ZINC000180619711 837403954 /nfs/dbraw/zinc/40/39/54/837403954.db2.gz WXSJTAHWMUXGJI-QGZVFWFLSA-N 0 1 390.871 3.643 20 5 GHBDMN Cc1ccc2c(c1C)OC[C@@H]2NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000536095957 834818691 /nfs/dbraw/zinc/81/86/91/834818691.db2.gz ZYKBGNMDDXKQDA-IBGZPJMESA-N 0 1 378.432 3.835 20 5 GHBDMN CNC(=O)CCN(C)Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000179407488 835682429 /nfs/dbraw/zinc/68/24/29/835682429.db2.gz IBIDJPOCCZVDEZ-UHFFFAOYSA-N 0 1 377.828 3.608 20 5 GHBDMN O=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134638661 835874589 /nfs/dbraw/zinc/87/45/89/835874589.db2.gz IFCRTXMAKGHVFT-UHFFFAOYSA-N 0 1 391.830 3.782 20 5 GHBDMN COc1cc(C)c([C@H](C)NCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1OC ZINC000179626577 835897688 /nfs/dbraw/zinc/89/76/88/835897688.db2.gz NWEIANLGHWFDKZ-AWEZNQCLSA-N 0 1 387.436 3.518 20 5 GHBDMN COc1cccc([C@H]2C[C@H](N(C)CC(=O)Nc3ccc([N+](=O)[O-])cc3C)C2)c1 ZINC000452011958 836629472 /nfs/dbraw/zinc/62/94/72/836629472.db2.gz DTTBAGOFKCDEAV-SAABIXHNSA-N 0 1 383.448 3.728 20 5 GHBDMN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000180027776 836755294 /nfs/dbraw/zinc/75/52/94/836755294.db2.gz LZQKYTQQSWJJPU-HNNXBMFYSA-N 0 1 383.452 3.535 20 5 GHBDMN CCC1(c2ccc(Cl)cc2)CCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])CC1 ZINC000473326249 844199750 /nfs/dbraw/zinc/19/97/50/844199750.db2.gz KSMCCLBNQRKEDI-UHFFFAOYSA-N 0 1 376.844 3.864 20 5 GHBDMN CCOc1ccc([C@H](C)N[C@@H]2CCN(c3ccc(F)cc3)C2=O)cc1[N+](=O)[O-] ZINC000414303794 836988249 /nfs/dbraw/zinc/98/82/49/836988249.db2.gz CDYADEXSPUDKKF-SUMWQHHRSA-N 0 1 387.411 3.589 20 5 GHBDMN C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000180397950 837212609 /nfs/dbraw/zinc/21/26/09/837212609.db2.gz KWLRHOHOZWQGCE-JKSUJKDBSA-N 0 1 382.464 3.873 20 5 GHBDMN C[C@H](NCC(=O)Nc1ccc(OC(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180396523 837222600 /nfs/dbraw/zinc/22/26/00/837222600.db2.gz MQJLFNNJQBFAGS-NSHDSACASA-N 0 1 383.326 3.783 20 5 GHBDMN O=[N+]([O-])c1ccc(OC(F)F)c(NS(=O)(=O)/C=C\c2ccc(F)cc2)c1 ZINC000255132732 838291126 /nfs/dbraw/zinc/29/11/26/838291126.db2.gz NGNFPQOQUBVNQR-FPLPWBNLSA-N 0 1 388.323 3.748 20 5 GHBDMN Cc1cccc2nc(C3CCN(Cc4ccc(C(N)=O)cc4[N+](=O)[O-])CC3)oc21 ZINC000189813780 838420146 /nfs/dbraw/zinc/42/01/46/838420146.db2.gz VZLSUOUPGYLYFA-UHFFFAOYSA-N 0 1 394.431 3.523 20 5 GHBDMN CC(C)CCSc1ccc(C(=O)NCc2n[nH]c(C(C)C)n2)cc1[N+](=O)[O-] ZINC000452413493 838868582 /nfs/dbraw/zinc/86/85/82/838868582.db2.gz DJCOYCWHTGVITA-UHFFFAOYSA-N 0 1 391.497 3.905 20 5 GHBDMN CC(C)N1CCCN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CC1 ZINC000275797428 838906606 /nfs/dbraw/zinc/90/66/06/838906606.db2.gz JSPZTFOTTMIBEC-UHFFFAOYSA-N 0 1 399.441 3.928 20 5 GHBDMN CC(C)OCCCN1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000728688428 839040309 /nfs/dbraw/zinc/04/03/09/839040309.db2.gz PCOKDAGJWQDNHZ-UHFFFAOYSA-N 0 1 375.391 3.551 20 5 GHBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCC[C@H](CO)[C@@H]2C)cc1OC ZINC000412086909 839482114 /nfs/dbraw/zinc/48/21/14/839482114.db2.gz OSWNXAYPYFVHMY-HRCADAONSA-N 0 1 380.485 3.621 20 5 GHBDMN Cc1ccc2nc([C@H]3CCCN3CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)[nH]c2c1 ZINC000580483118 839647337 /nfs/dbraw/zinc/64/73/37/839647337.db2.gz XHPAZJCWWCPUIP-LJQANCHMSA-N 0 1 393.447 3.579 20 5 GHBDMN Cc1cc(S(=O)(=O)Nc2ccc(Cl)cc2-n2cccn2)ccc1[N+](=O)[O-] ZINC000471584293 839674486 /nfs/dbraw/zinc/67/44/86/839674486.db2.gz GBUYKHVSKQYZLV-UHFFFAOYSA-N 0 1 392.824 3.543 20 5 GHBDMN COc1cc2c(c(OC)c1OC)CCN([C@@H](C)c1cccc([N+](=O)[O-])c1)CC2 ZINC000432026974 840537613 /nfs/dbraw/zinc/53/76/13/840537613.db2.gz VQQNHWFOOCSMRS-AWEZNQCLSA-N 0 1 386.448 3.782 20 5 GHBDMN O=C(CN[C@H]1CCCCc2ccc([N+](=O)[O-])cc21)N[C@H]1CCOc2ccccc21 ZINC000417330561 840731964 /nfs/dbraw/zinc/73/19/64/840731964.db2.gz KZZALMMIHNQPCP-PMACEKPBSA-N 0 1 395.459 3.592 20 5 GHBDMN O=[N+]([O-])c1cc(CN[C@H](CCCO)c2ccccc2)ccc1Br ZINC000124382817 840944467 /nfs/dbraw/zinc/94/44/67/840944467.db2.gz UJQSHXNYXMNXHK-MRXNPFEDSA-N 0 1 379.254 3.961 20 5 GHBDMN Cc1ccc([C@H](C)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)cc1[N+](=O)[O-] ZINC000157189389 841638143 /nfs/dbraw/zinc/63/81/43/841638143.db2.gz BBGKDBFHYAOTIB-ZACQAIPSSA-N 0 1 384.480 3.763 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2nc(CN[C@H](CO)Cc3ccc(F)cc3)cs2)c1 ZINC000500252771 841746624 /nfs/dbraw/zinc/74/66/24/841746624.db2.gz WVISWHFYSKUJPB-INIZCTEOSA-N 0 1 387.436 3.551 20 5 GHBDMN COc1ccc(OC)c2c1CN(c1cc(C)nc3ccc([N+](=O)[O-])cc31)C[C@H]2O ZINC000302213861 861241874 /nfs/dbraw/zinc/24/18/74/861241874.db2.gz ZJIDRDRMWHXOOK-GOSISDBHSA-N 0 1 395.415 3.522 20 5 GHBDMN CCCc1[nH]nc(C(=O)Nc2nnc(-c3cccc(Cl)c3)s2)c1[N+](=O)[O-] ZINC000109624175 841982043 /nfs/dbraw/zinc/98/20/43/841982043.db2.gz JFOUTDQNMSHVJI-UHFFFAOYSA-N 0 1 392.828 3.695 20 5 GHBDMN COC(=O)c1cnc(C2CCN(Cc3cccc([N+](=O)[O-])c3C)CC2)s1 ZINC000599554742 861329491 /nfs/dbraw/zinc/32/94/91/861329491.db2.gz OCAHZBQSOZIIDM-UHFFFAOYSA-N 0 1 375.450 3.526 20 5 GHBDMN CCOc1cc(CN2CCC[C@H](c3nnc4n3CCCCC4)C2)ccc1[N+](=O)[O-] ZINC000276886674 843638641 /nfs/dbraw/zinc/63/86/41/843638641.db2.gz JKZCEMVCGKKUGV-KRWDZBQOSA-N 0 1 399.495 3.691 20 5 GHBDMN Cc1ccc(CN[C@](C)(CO)c2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000512899953 843951654 /nfs/dbraw/zinc/95/16/54/843951654.db2.gz VHTLCFCITMOCRM-QGZVFWFLSA-N 0 1 379.254 3.663 20 5 GHBDMN CSc1ccncc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000610955378 844908153 /nfs/dbraw/zinc/90/81/53/844908153.db2.gz ZURKDYOAIUDZEO-UHFFFAOYSA-N 0 1 393.368 3.531 20 5 GHBDMN Cc1ccc(-c2cc(C(=O)N(C)CCc3cccc([N+](=O)[O-])c3)n[nH]2)cc1C ZINC000513352469 845268181 /nfs/dbraw/zinc/26/81/81/845268181.db2.gz BQUQLAGYIXIPNL-UHFFFAOYSA-N 0 1 378.432 3.916 20 5 GHBDMN CCC(=O)Nc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)cc1 ZINC000176639048 845377695 /nfs/dbraw/zinc/37/76/95/845377695.db2.gz AQLAITHPNLPNHY-UHFFFAOYSA-N 0 1 397.840 3.706 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@H](C)c1cc(C)ccc1OC ZINC000015500100 845601690 /nfs/dbraw/zinc/60/16/90/845601690.db2.gz PHZYEQKIXLOVFD-KGLIPLIRSA-N 0 1 387.436 3.598 20 5 GHBDMN CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN(C)C[C@H]2CCCOC2)cc1OC ZINC000543846040 845766427 /nfs/dbraw/zinc/76/64/27/845766427.db2.gz YVIXDSHHGOSANX-HZPDHXFCSA-N 0 1 380.485 3.887 20 5 GHBDMN COc1cccc([C@@H](C)N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000604047353 861660972 /nfs/dbraw/zinc/66/09/72/861660972.db2.gz PLTIFVFTVFJQTQ-NEPJUHHUSA-N 0 1 377.828 3.935 20 5 GHBDMN Cc1ccc(CNC(=O)C2CCN(Cc3ccccc3[N+](=O)[O-])CC2)cc1F ZINC000047892870 846750518 /nfs/dbraw/zinc/75/05/18/846750518.db2.gz VELCFNOXNNADLR-UHFFFAOYSA-N 0 1 385.439 3.571 20 5 GHBDMN Cc1ccc(S(=O)(=O)N[C@@](C)(c2ccccc2)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000479156632 847529583 /nfs/dbraw/zinc/52/95/83/847529583.db2.gz OFEXLUBFOUNULT-HNNXBMFYSA-N 0 1 388.367 3.659 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N(C)CCCc2cc(-c3ccccc3)no2)c1[N+](=O)[O-] ZINC000434192917 847639526 /nfs/dbraw/zinc/63/95/26/847639526.db2.gz DDJPJELTLQRXDX-UHFFFAOYSA-N 0 1 397.435 3.801 20 5 GHBDMN CC[C@@H](CSc1ccccc1[N+](=O)[O-])NCc1ncnn1-c1ccccc1 ZINC000479461017 847642661 /nfs/dbraw/zinc/64/26/61/847642661.db2.gz AOHCNIGTIWRDRY-HNNXBMFYSA-N 0 1 383.477 3.836 20 5 GHBDMN Cc1c(Cl)cc(S(=O)(=O)Nc2ccccc2N2CCCC2)cc1[N+](=O)[O-] ZINC000604114789 861834531 /nfs/dbraw/zinc/83/45/31/861834531.db2.gz QDNZYHMMBDJTDR-UHFFFAOYSA-N 0 1 395.868 3.958 20 5 GHBDMN Cc1ccc([C@H](C)N[C@H](C)C(=O)Nc2ccc3c(c2)OCCCO3)cc1[N+](=O)[O-] ZINC000178690723 848542627 /nfs/dbraw/zinc/54/26/27/848542627.db2.gz XFDGNAKDRMJYGW-LSDHHAIUSA-N 0 1 399.447 3.742 20 5 GHBDMN Cc1ccc([C@H](C)N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1[N+](=O)[O-] ZINC000178690490 848583432 /nfs/dbraw/zinc/58/34/32/848583432.db2.gz NTNSYJJPPIFZQL-KBPBESRZSA-N 0 1 386.408 3.798 20 5 GHBDMN Cc1c(CN2CCSCC2)cccc1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000061307442 848666572 /nfs/dbraw/zinc/66/65/72/848666572.db2.gz CYCSLVOUJZXGCJ-UHFFFAOYSA-N 0 1 389.452 3.843 20 5 GHBDMN Cc1sc([C@H](C)NC(=O)c2n[nH]cc2[N+](=O)[O-])nc1-c1ccc(Cl)cc1 ZINC000153733535 848959914 /nfs/dbraw/zinc/95/99/14/848959914.db2.gz ZAOAFYHPTZCVBX-QMMMGPOBSA-N 0 1 391.840 3.894 20 5 GHBDMN CC1(C)C[C@@H](NCC(=O)N[C@H]2CCOc3ccccc32)c2cc([N+](=O)[O-])ccc21 ZINC000503904797 849752041 /nfs/dbraw/zinc/75/20/41/849752041.db2.gz UKIGDZBCALUQHY-RBUKOAKNSA-N 0 1 395.459 3.547 20 5 GHBDMN Cc1cccc(COc2ccc([C@@H](C)NC(=O)c3n[nH]cc3[N+](=O)[O-])cc2)c1 ZINC000132440042 862067602 /nfs/dbraw/zinc/06/76/02/862067602.db2.gz WJJKSEFSGPWNKQ-CQSZACIVSA-N 0 1 380.404 3.696 20 5 GHBDMN Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)n1 ZINC000514604582 850046643 /nfs/dbraw/zinc/04/66/43/850046643.db2.gz FASGPYKCBOSFFL-KRWDZBQOSA-N 0 1 398.463 3.709 20 5 GHBDMN CCOc1ccc([C@@H](C)N[C@@H]2CCCN(c3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000504899240 850404316 /nfs/dbraw/zinc/40/43/16/850404316.db2.gz CPCSQWKKLOPADO-CRAIPNDOSA-N 0 1 383.448 3.840 20 5 GHBDMN CC(C)(CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CCCCC1 ZINC000435814318 850873110 /nfs/dbraw/zinc/87/31/10/850873110.db2.gz SURSBLXGRSHERY-UHFFFAOYSA-N 0 1 395.478 3.815 20 5 GHBDMN CC(C)(C)N1CCc2nc(NC(=O)c3ccc([N+](=O)[O-])cc3F)sc2C1 ZINC000425077515 851063786 /nfs/dbraw/zinc/06/37/86/851063786.db2.gz IHYJZYYFEWWDBT-UHFFFAOYSA-N 0 1 378.429 3.599 20 5 GHBDMN CC(C)(C)N1CCc2nc(NC(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)sc2C1 ZINC000425077471 851066176 /nfs/dbraw/zinc/06/61/76/851066176.db2.gz IEYDNDKNAZXYAF-UHFFFAOYSA-N 0 1 399.476 3.942 20 5 GHBDMN CN(C)C[C@@H](Cc1ccccc1)NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000436079067 851194225 /nfs/dbraw/zinc/19/42/25/851194225.db2.gz JLBQOZHJPPVIBY-LJQANCHMSA-N 0 1 399.494 3.584 20 5 GHBDMN COc1ccc(CN2CCCO[C@@H](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000514085097 851221905 /nfs/dbraw/zinc/22/19/05/851221905.db2.gz SXXXNUBOFFTNIN-INIZCTEOSA-N 0 1 386.448 3.793 20 5 GHBDMN O=[N+]([O-])c1ccc(NCCc2cc(-c3ccncc3)[nH]n2)nc1-c1ccccc1 ZINC000436423886 851597916 /nfs/dbraw/zinc/59/79/16/851597916.db2.gz BNOWIPZUKOJUAB-UHFFFAOYSA-N 0 1 386.415 3.518 20 5 GHBDMN CCOC(=O)c1oc2ccccc2c1CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000488785448 851773469 /nfs/dbraw/zinc/77/34/69/851773469.db2.gz QWQOIODAUMTJPC-UHFFFAOYSA-N 0 1 398.419 3.551 20 5 GHBDMN CCn1c(SCc2cc(O)ccc2[N+](=O)[O-])nnc1-c1ccccc1OC ZINC000436472757 851958199 /nfs/dbraw/zinc/95/81/99/851958199.db2.gz AJDYJXBGKDTVIS-UHFFFAOYSA-N 0 1 386.433 3.880 20 5 GHBDMN CCc1ccc([C@H](NCC2(COC)CCOCC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000425951626 852047422 /nfs/dbraw/zinc/04/74/22/852047422.db2.gz NGCRGGLTCVSTJQ-HXUWFJFHSA-N 0 1 388.464 3.872 20 5 GHBDMN C[C@@H](OC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1nc2ccc(Cl)cc2[nH]1 ZINC000732522312 862333205 /nfs/dbraw/zinc/33/32/05/862333205.db2.gz YUUIMSOSQLXUDT-MRVPVSSYSA-N 0 1 389.751 3.771 20 5 GHBDMN O=C([O-])[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ncc(-c2ccccc2)s1 ZINC000426765645 852391596 /nfs/dbraw/zinc/39/15/96/852391596.db2.gz QUJOADLKEKZLRX-INIZCTEOSA-N 0 1 383.429 3.504 20 5 GHBDMN CCN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000436965561 852537142 /nfs/dbraw/zinc/53/71/42/852537142.db2.gz KTXOAOGMFWHLST-MAUKXSAKSA-N 0 1 383.448 3.598 20 5 GHBDMN CC(C)COc1cccc(CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000517912430 852596035 /nfs/dbraw/zinc/59/60/35/852596035.db2.gz ISMRZULHNRZVSM-UHFFFAOYSA-N 0 1 398.868 3.762 20 5 GHBDMN CC(C)[C@H](Cc1ccc(F)cc1)N(C)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000437105318 852741145 /nfs/dbraw/zinc/74/11/45/852741145.db2.gz ITYYDWZBCOECNW-SFHVURJKSA-N 0 1 384.411 3.950 20 5 GHBDMN CCOC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC000427115700 852746838 /nfs/dbraw/zinc/74/68/38/852746838.db2.gz CMYGGQXXOKMSAE-UHFFFAOYSA-N 0 1 398.824 3.534 20 5 GHBDMN CC(C)c1ccc(C(=O)N[C@H](Cc2nc[nH]n2)c2ccccc2)cc1[N+](=O)[O-] ZINC000506376863 852909797 /nfs/dbraw/zinc/90/97/97/852909797.db2.gz HZSIQBUJDKAQBK-QGZVFWFLSA-N 0 1 379.420 3.550 20 5 GHBDMN CCCCOc1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1 ZINC000490358926 852979510 /nfs/dbraw/zinc/97/95/10/852979510.db2.gz AJQZJOUOXYUDGW-UHFFFAOYSA-N 0 1 381.392 3.811 20 5 GHBDMN O=C(CCCc1ccc(Cl)cc1)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000490361577 852981494 /nfs/dbraw/zinc/98/14/94/852981494.db2.gz FAWKLISTONMSHD-UHFFFAOYSA-N 0 1 385.811 3.995 20 5 GHBDMN O=C(CSc1ccc2c(c1)CCC2)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000490382153 852993996 /nfs/dbraw/zinc/99/39/96/852993996.db2.gz YVNLNAYZZBQJKT-UHFFFAOYSA-N 0 1 395.444 3.599 20 5 GHBDMN CCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc2nc(C)sc2c1 ZINC000427353631 852994799 /nfs/dbraw/zinc/99/47/99/852994799.db2.gz ZFOBRPOGWWNSIL-UHFFFAOYSA-N 0 1 377.447 3.876 20 5 GHBDMN COc1ccc(CCCCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1 ZINC000490399717 853010460 /nfs/dbraw/zinc/01/04/60/853010460.db2.gz PSBHFSBKBNBOEC-UHFFFAOYSA-N 0 1 395.419 3.740 20 5 GHBDMN CCCCN(C)c1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1 ZINC000490401856 853012876 /nfs/dbraw/zinc/01/28/76/853012876.db2.gz TXIBBRXYFAXJKT-UHFFFAOYSA-N 0 1 394.435 3.869 20 5 GHBDMN CCOc1ccc2nc(S[C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)[nH]c2c1 ZINC000518282682 853161189 /nfs/dbraw/zinc/16/11/89/853161189.db2.gz KCRKAQOKOUIJAU-QGZVFWFLSA-N 0 1 398.444 3.767 20 5 GHBDMN C[C@@H]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000437500695 853204133 /nfs/dbraw/zinc/20/41/33/853204133.db2.gz XVKDYBFAMFZHOV-OAHLLOKOSA-N 0 1 387.867 3.985 20 5 GHBDMN Cc1nc(-c2ccc(CCNC(=O)c3cc(O)cc([N+](=O)[O-])c3)cc2)cs1 ZINC000506106413 853420963 /nfs/dbraw/zinc/42/09/63/853420963.db2.gz BFCBLJSYRDKBAK-UHFFFAOYSA-N 0 1 383.429 3.705 20 5 GHBDMN Cc1ccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1NC(=O)c1ccncc1 ZINC000506107472 853437121 /nfs/dbraw/zinc/43/71/21/853437121.db2.gz GMBKVULGVJIDAM-UHFFFAOYSA-N 0 1 392.371 3.508 20 5 GHBDMN C[C@@H](N[C@H](C)c1ccc(OC(F)F)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000044802824 853846482 /nfs/dbraw/zinc/84/64/82/853846482.db2.gz XSPPTFQTSIYDHG-VXGBXAGGSA-N 0 1 379.363 3.874 20 5 GHBDMN Cc1ccnc(-c2ccc(NS(=O)(=O)c3c(C)cc([N+](=O)[O-])cc3C)cc2)n1 ZINC000481974121 862566314 /nfs/dbraw/zinc/56/63/14/862566314.db2.gz NMVPCFIHEJHCSK-UHFFFAOYSA-N 0 1 398.444 3.778 20 5 GHBDMN O=C(NC[C@H](c1cccs1)N1CCCC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000056203890 854547907 /nfs/dbraw/zinc/54/79/07/854547907.db2.gz JIPDMMWBUOATKV-MRXNPFEDSA-N 0 1 384.461 3.705 20 5 GHBDMN CCOc1ccc([C@H](C)NCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000589242328 854757000 /nfs/dbraw/zinc/75/70/00/854757000.db2.gz ORDHKNUHKCXICJ-LBPRGKRZSA-N 0 1 377.828 3.936 20 5 GHBDMN COc1cccc([C@@H]2[C@@H](NC(=O)c3cc(C)ccc3[N+](=O)[O-])CCN2C2CC2)c1 ZINC000482021280 862615328 /nfs/dbraw/zinc/61/53/28/862615328.db2.gz SMGKLMFBVZKNGR-PZJWPPBQSA-N 0 1 395.459 3.620 20 5 GHBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC(c3ccc(OC)cc3)CC2)c1 ZINC000589497787 854910296 /nfs/dbraw/zinc/91/02/96/854910296.db2.gz BCMOTSIOXYTCHS-UHFFFAOYSA-N 0 1 384.432 3.770 20 5 GHBDMN CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000553395685 854999507 /nfs/dbraw/zinc/99/95/07/854999507.db2.gz NBCAPPRZDJLLTJ-MDASCCDHSA-N 0 1 394.431 3.552 20 5 GHBDMN Cc1nc([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)n[nH]1 ZINC000553617661 855153871 /nfs/dbraw/zinc/15/38/71/855153871.db2.gz JHLKDGUTYLJRRF-NSHDSACASA-N 0 1 383.433 3.664 20 5 GHBDMN CN(CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273409101 855350109 /nfs/dbraw/zinc/35/01/09/855350109.db2.gz HZTVDBUSJVJUIO-VQIMIIECSA-N 0 1 387.411 3.525 20 5 GHBDMN Cc1ccc(Sc2ccc(C(=O)N3CCc4nc[nH]c4C3)cc2[N+](=O)[O-])cc1 ZINC000590552133 855473169 /nfs/dbraw/zinc/47/31/69/855473169.db2.gz HFSYUTWQFHRULL-UHFFFAOYSA-N 0 1 394.456 3.976 20 5 GHBDMN CC(C)CN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCc2cccnc21 ZINC000126849148 855925471 /nfs/dbraw/zinc/92/54/71/855925471.db2.gz VYQBVNAMJUUKJB-FQEVSTJZSA-N 0 1 396.491 3.988 20 5 GHBDMN COc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)cc2cccnc21 ZINC000427625598 856109304 /nfs/dbraw/zinc/10/93/04/856109304.db2.gz GMFRIFGVAQRCQR-UHFFFAOYSA-N 0 1 387.417 3.569 20 5 GHBDMN CN(C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])s1)c1cccc(C(F)(F)F)c1 ZINC000184831793 856420500 /nfs/dbraw/zinc/42/05/00/856420500.db2.gz TWYFGPQRQBEJPQ-GFCCVEGCSA-N 0 1 387.383 3.708 20 5 GHBDMN CN(CCCN(C)C(=O)CCc1c(Cl)cccc1[N+](=O)[O-])Cc1ccco1 ZINC001128757011 856454615 /nfs/dbraw/zinc/45/46/15/856454615.db2.gz PWJNVMWYOKUVLO-UHFFFAOYSA-N 0 1 393.871 3.754 20 5 GHBDMN C[C@@H](N[C@@H](C)c1ccc(NC(=O)C2CC2)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000130897960 856810631 /nfs/dbraw/zinc/81/06/31/856810631.db2.gz XTPWOMJAEBQFEE-UONOGXRCSA-N 0 1 396.447 3.621 20 5 GHBDMN CC(C)c1nccn1Cc1cccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1 ZINC000427915026 856872761 /nfs/dbraw/zinc/87/27/61/856872761.db2.gz IZTMQNQQJHROPV-UHFFFAOYSA-N 0 1 380.404 3.921 20 5 GHBDMN COc1ccc([C@H](CNC(=O)c2ccccc2[N+](=O)[O-])N2CCCCC2)cc1 ZINC000027667570 856987060 /nfs/dbraw/zinc/98/70/60/856987060.db2.gz AGUVUDWQUPFLSO-FQEVSTJZSA-N 0 1 383.448 3.560 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C)c1ccc2ncsc2c1 ZINC000485816813 857126223 /nfs/dbraw/zinc/12/62/23/857126223.db2.gz STGSSKNYVMLXDL-LLVKDONJSA-N 0 1 386.433 3.502 20 5 GHBDMN C[C@H](N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc2ncsc2c1 ZINC000485844401 857140681 /nfs/dbraw/zinc/14/06/81/857140681.db2.gz KGEVGFWDZAOMPW-SJCJKPOMSA-N 0 1 382.445 3.661 20 5 GHBDMN CC1(C)CN(C2(CNC(=O)Nc3cccc([N+](=O)[O-])c3)CCCCC2)CCO1 ZINC000520894784 857373949 /nfs/dbraw/zinc/37/39/49/857373949.db2.gz RYAFYGVAQBCBCQ-UHFFFAOYSA-N 0 1 390.484 3.530 20 5 GHBDMN O=C(NC[C@@H](c1ccco1)N1CCCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000043343065 857384731 /nfs/dbraw/zinc/38/47/31/857384731.db2.gz CPJMJXOOTJQECO-HNNXBMFYSA-N 0 1 378.816 3.800 20 5 GHBDMN Cc1cc(C2CCN(C(=O)CCc3ccc([N+](=O)[O-])cc3Cl)CC2)n[nH]1 ZINC000907206361 857514775 /nfs/dbraw/zinc/51/47/75/857514775.db2.gz NHRYKSNCFROUQD-UHFFFAOYSA-N 0 1 376.844 3.619 20 5 GHBDMN Cc1ccc([N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)c(C[NH+](C)C)c1 ZINC000114054232 857871036 /nfs/dbraw/zinc/87/10/36/857871036.db2.gz QECYXUYAVHNNIZ-UHFFFAOYSA-N 0 1 397.884 3.727 20 5 GHBDMN CC[C@H](N[C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccccc1OCC(=O)N(C)C ZINC000594502072 858194402 /nfs/dbraw/zinc/19/44/02/858194402.db2.gz COPZAOSYUKSWKR-OALUTQOASA-N 0 1 397.475 3.790 20 5 GHBDMN COc1ccccc1[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCCC1 ZINC000078732943 858203080 /nfs/dbraw/zinc/20/30/80/858203080.db2.gz NATUWSKLESOJHD-GOSISDBHSA-N 0 1 384.436 3.562 20 5 GHBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@@H]21 ZINC000594733685 858267773 /nfs/dbraw/zinc/26/77/73/858267773.db2.gz BMHLKHGBMHDBBT-SQNIBIBYSA-N 0 1 376.453 3.847 20 5 GHBDMN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H](C)N1CCc2ccccc2C1 ZINC000439121709 858428029 /nfs/dbraw/zinc/42/80/29/858428029.db2.gz ZXKYDSPCSSVXNW-AWEZNQCLSA-N 0 1 387.867 3.733 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H](c3nc4ccc(C)cc4[nH]3)C2)c1 ZINC000067158129 858457957 /nfs/dbraw/zinc/45/79/57/858457957.db2.gz AHWJPUBBLRBGBF-AWEZNQCLSA-N 0 1 394.431 3.808 20 5 GHBDMN Cc1ccc([C@H](C)NC(=O)NC[C@H]2CCN2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000595544164 858561735 /nfs/dbraw/zinc/56/17/35/858561735.db2.gz MUNGBVNLFPGDCA-QFBILLFUSA-N 0 1 382.464 3.538 20 5 GHBDMN COc1ccc(NC(=O)CN[C@@H](c2ccccc2F)C(C)C)c([N+](=O)[O-])c1 ZINC000595685909 858647233 /nfs/dbraw/zinc/64/72/33/858647233.db2.gz KELDHQPZQCZHBP-LJQANCHMSA-N 0 1 375.400 3.668 20 5 GHBDMN Cc1[nH]ncc1CCCNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000129858525 858662483 /nfs/dbraw/zinc/66/24/83/858662483.db2.gz JBCZNUVVLOIULK-UHFFFAOYSA-N 0 1 393.447 3.601 20 5 GHBDMN CC(C)(C)O[C@H]1C[C@@H](NCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C12CCC2 ZINC000595777797 858684077 /nfs/dbraw/zinc/68/40/77/858684077.db2.gz KFLAREFVVRPMAT-CVEARBPZSA-N 0 1 386.452 3.861 20 5 GHBDMN O=c1[nH]ccc(NC[C@@H](c2ccccc2)N2CCc3sccc3C2)c1[N+](=O)[O-] ZINC000596076281 858773766 /nfs/dbraw/zinc/77/37/66/858773766.db2.gz OQSBNLJXBFEMHH-KRWDZBQOSA-N 0 1 396.472 3.968 20 5 GHBDMN CN(C)[C@H]1CCOc2c(NC(=O)C(C)(C)c3ccccc3[N+](=O)[O-])cccc21 ZINC000509366715 859193772 /nfs/dbraw/zinc/19/37/72/859193772.db2.gz PTWZMDZPZCQXOL-KRWDZBQOSA-N 0 1 383.448 3.896 20 5 GHBDMN COc1cc(NC2CCN(Cc3ccc(F)cc3)CC2)c(F)cc1[N+](=O)[O-] ZINC000301959185 859292468 /nfs/dbraw/zinc/29/24/68/859292468.db2.gz LURDYYVVFNUCQQ-UHFFFAOYSA-N 0 1 377.391 3.958 20 5 GHBDMN O=C1C[C@H](NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)[C@@H]2CCCCN12 ZINC000509409689 859356485 /nfs/dbraw/zinc/35/64/85/859356485.db2.gz HCLHJWVMGLCLTN-ROUUACIJSA-N 0 1 399.422 3.769 20 5 GHBDMN COC(=O)COc1ccc(CN[C@H](C)c2ccc(SC)cc2)cc1[N+](=O)[O-] ZINC000466414939 859412130 /nfs/dbraw/zinc/41/21/30/859412130.db2.gz LWBSUHYYOPLMRH-CYBMUJFWSA-N 0 1 390.461 3.719 20 5 GHBDMN O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCN(CC2CCCCC2)CC1 ZINC000060579063 859593413 /nfs/dbraw/zinc/59/34/13/859593413.db2.gz AWNKVSRQKAZLJF-UHFFFAOYSA-N 0 1 386.496 3.507 20 5 GHBDMN CCN(C[C@H]1CCOC1)[C@@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000611205196 859650096 /nfs/dbraw/zinc/65/00/96/859650096.db2.gz NBKJVDMSYSJURN-DYESRHJHSA-N 0 1 397.475 3.941 20 5 GHBDMN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000597603848 859663538 /nfs/dbraw/zinc/66/35/38/859663538.db2.gz FTTCFEGKZPQSHI-AHRSYUTCSA-N 0 1 398.463 3.531 20 5 GHBDMN C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1 ZINC000060647211 859756375 /nfs/dbraw/zinc/75/63/75/859756375.db2.gz PINKTQWFHBWCMM-OAHLLOKOSA-N 0 1 383.448 3.605 20 5 GHBDMN O=C(Nc1ccc(N2CCc3sccc3C2)nc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000611553617 859809588 /nfs/dbraw/zinc/80/95/88/859809588.db2.gz FMSMCLMCNYJJRU-UHFFFAOYSA-N 0 1 396.428 3.572 20 5 GHBDMN COc1ccc([C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c2ccccc2)cc1 ZINC000611553517 859809722 /nfs/dbraw/zinc/80/97/22/859809722.db2.gz LMOLYKVCYNXPGT-HXUWFJFHSA-N 0 1 378.384 3.828 20 5 GHBDMN COc1ccc(C[C@H](C)N2CCc3cc(OC)c(OC)cc3C2)c([N+](=O)[O-])c1 ZINC001170348221 881472467 /nfs/dbraw/zinc/47/24/67/881472467.db2.gz VTSWJLOPLIOUAB-AWEZNQCLSA-N 0 1 386.448 3.610 20 5 GHBDMN Cc1ccc(-c2nc(CNC3CCN(c4ccc([N+](=O)[O-])nc4)CC3)co2)cc1 ZINC000602561037 860112979 /nfs/dbraw/zinc/11/29/79/860112979.db2.gz PSNFQNZMWWGYKT-UHFFFAOYSA-N 0 1 393.447 3.712 20 5 GHBDMN Cc1c(CN2CCC(NC(=O)Nc3ccc(F)cc3)CC2)cccc1[N+](=O)[O-] ZINC000123866357 860121898 /nfs/dbraw/zinc/12/18/98/860121898.db2.gz BYENLTGFSOZEOC-UHFFFAOYSA-N 0 1 386.427 3.828 20 5 GHBDMN CCN(C(=O)c1n[nH]c(C)c1[N+](=O)[O-])[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000598452077 860317458 /nfs/dbraw/zinc/31/74/58/860317458.db2.gz GRUXDFQWXDVQIU-SNVBAGLBSA-N 0 1 384.358 3.738 20 5 GHBDMN CC(C)Oc1cc(C(=O)Nc2ccc(CN(C)C)c(F)c2)ccc1[N+](=O)[O-] ZINC000840383281 860322207 /nfs/dbraw/zinc/32/22/07/860322207.db2.gz RMVZSSURCSYWNE-UHFFFAOYSA-N 0 1 375.400 3.835 20 5 GHBDMN Cc1ccc([C@@H](C)N[C@@H]2CCN(c3c(F)cccc3F)C2=O)cc1[N+](=O)[O-] ZINC000124704161 860475108 /nfs/dbraw/zinc/47/51/08/860475108.db2.gz XJAVWNHEJXKUMY-MLGOLLRUSA-N 0 1 375.375 3.638 20 5 GHBDMN Cc1sc(C(=O)NC[C@H](C(C)C)N2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000025541544 860534567 /nfs/dbraw/zinc/53/45/67/860534567.db2.gz LEOMYMLELORALB-GOSISDBHSA-N 0 1 387.505 3.777 20 5 GHBDMN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCCN(Cc2ccccc2)CC1 ZINC000603733466 861126303 /nfs/dbraw/zinc/12/63/03/861126303.db2.gz OEJXZSSZGRVNAS-UHFFFAOYSA-N 0 1 379.416 3.689 20 5 GHBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCN(CCc2cccs2)CC1 ZINC000609193780 881617913 /nfs/dbraw/zinc/61/79/13/881617913.db2.gz DNGNAPRPOURXHY-UHFFFAOYSA-N 0 1 389.521 3.804 20 5 GHBDMN COc1cc(S(=O)(=O)Nc2cc(C)cc(C(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000792702464 881627159 /nfs/dbraw/zinc/62/71/59/881627159.db2.gz UJJYEZSOHZIZLM-UHFFFAOYSA-N 0 1 390.339 3.731 20 5 GHBDMN Cc1ccc2nc([C@H]3CCCN(C(=O)CNc4ccccc4[N+](=O)[O-])C3)[nH]c2c1 ZINC000159994782 863225513 /nfs/dbraw/zinc/22/55/13/863225513.db2.gz DLWZORSADFBJOQ-HNNXBMFYSA-N 0 1 393.447 3.598 20 5 GHBDMN CCN(CC)C(=O)CCC1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000182571848 863286882 /nfs/dbraw/zinc/28/68/82/863286882.db2.gz BZTRKQPCGSYZNH-UHFFFAOYSA-N 0 1 388.468 3.597 20 5 GHBDMN Cc1ccc(-c2cc(C(=O)N(C)CCc3ccccc3[N+](=O)[O-])n[nH]2)cc1C ZINC000557073740 881738138 /nfs/dbraw/zinc/73/81/38/881738138.db2.gz CVBLSWVRUZIQRY-UHFFFAOYSA-N 0 1 378.432 3.916 20 5 GHBDMN O=[N+]([O-])c1cc(CN[C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)ccc1Cl ZINC000734843828 864473040 /nfs/dbraw/zinc/47/30/40/864473040.db2.gz QLFPDMJBRPGHJN-ZBFHGGJFSA-N 0 1 388.773 3.872 20 5 GHBDMN O=[N+]([O-])c1ccccc1/C=C/CN1CCC2(CC1)C[C@H](O)c1ccccc1O2 ZINC000897267785 865037745 /nfs/dbraw/zinc/03/77/45/865037745.db2.gz PRKVMNRUWUOPNV-CYXJOQHWSA-N 0 1 380.444 3.959 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2noc(CN3CC[C@H](Cc4ccc(F)cc4)C3)n2)c1 ZINC000121308550 865430900 /nfs/dbraw/zinc/43/09/00/865430900.db2.gz FGUFFUMQXFXNFR-OAHLLOKOSA-N 0 1 382.395 3.849 20 5 GHBDMN CN(C)c1nc2ccc(NC(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)cc2[nH]1 ZINC000555319726 865915623 /nfs/dbraw/zinc/91/56/23/865915623.db2.gz XMIGUYYZNTZHHS-UHFFFAOYSA-N 0 1 393.325 3.808 20 5 GHBDMN C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000444399174 866064472 /nfs/dbraw/zinc/06/44/72/866064472.db2.gz JJSVUUVEKMCOOA-GTNSWQLSSA-N 0 1 376.796 3.556 20 5 GHBDMN Cc1[nH]nc(C(=O)N2CCc3ccccc3[C@@H]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000534207800 866274930 /nfs/dbraw/zinc/27/49/30/866274930.db2.gz SKDYIBCJXOHQAR-SFHVURJKSA-N 0 1 376.416 3.609 20 5 GHBDMN O=C(NC1(c2ccccc2Br)CCCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000456295246 866357602 /nfs/dbraw/zinc/35/76/02/866357602.db2.gz QEAWSSQIUOYYAC-UHFFFAOYSA-N 0 1 393.241 3.670 20 5 GHBDMN CCN(Cc1ccc(Cl)cc1)Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000475584800 866434581 /nfs/dbraw/zinc/43/45/81/866434581.db2.gz PNKQGEFISOWPHK-UHFFFAOYSA-N 0 1 392.839 3.822 20 5 GHBDMN COc1ccc(-c2n[nH]c(S[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000021138743 867071102 /nfs/dbraw/zinc/07/11/02/867071102.db2.gz GVNWJNXPIVTSKJ-LLVKDONJSA-N 0 1 399.432 3.508 20 5 GHBDMN COc1ccc(CN[C@@H]2CCCc3nn(-c4ccccc4)cc32)cc1[N+](=O)[O-] ZINC000479071373 867092335 /nfs/dbraw/zinc/09/23/35/867092335.db2.gz SSHCWDJEAXHWKG-GOSISDBHSA-N 0 1 378.432 3.956 20 5 GHBDMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000445093963 867767384 /nfs/dbraw/zinc/76/73/84/867767384.db2.gz QVUXVZUWZVFEEF-UHFFFAOYSA-N 0 1 387.484 3.780 20 5 GHBDMN CCc1c(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)[nH]nc1-c1ccncc1 ZINC000534984236 867899080 /nfs/dbraw/zinc/89/90/80/867899080.db2.gz BOWFCUIAXLGBGI-UHFFFAOYSA-N 0 1 376.376 3.676 20 5 GHBDMN CC(C)(C)OC(=O)N1CC[C@]2(CCN(C/C=C\c3ccccc3[N+](=O)[O-])C2)C1 ZINC000793604199 882305987 /nfs/dbraw/zinc/30/59/87/882305987.db2.gz ITUMFKSLTIAVRG-LHFJYWTJSA-N 0 1 387.480 3.941 20 5 GHBDMN COc1ccc(OCCSc2nc(-c3ccc(C)cc3)n[nH]2)c([N+](=O)[O-])c1 ZINC000525111217 870039083 /nfs/dbraw/zinc/03/90/83/870039083.db2.gz POHYIMGNSGPGBA-UHFFFAOYSA-N 0 1 386.433 3.868 20 5 GHBDMN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(CN(C)C)c(F)c1 ZINC000462778419 870052025 /nfs/dbraw/zinc/05/20/25/870052025.db2.gz VQSUIYJVASGJFL-QGZVFWFLSA-N 0 1 387.455 3.681 20 5 GHBDMN CS(=O)(=O)[C@@H]1CCC[C@@H](N[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000538713355 870386840 /nfs/dbraw/zinc/38/68/40/870386840.db2.gz DTYVFJDNGSETQJ-RLLQIKCJSA-N 0 1 388.489 3.630 20 5 GHBDMN CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000463027942 870688343 /nfs/dbraw/zinc/68/83/43/870688343.db2.gz ICTQLBACRRMMJL-JOCHJYFZSA-N 0 1 384.476 3.811 20 5 GHBDMN C[C@H](C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000617736196 870838849 /nfs/dbraw/zinc/83/88/49/870838849.db2.gz MTBKZXAQRWDHFH-ROUUACIJSA-N 0 1 381.476 3.821 20 5 GHBDMN O=[N+]([O-])c1ccc(NS(=O)(=O)c2cccc3cnccc32)cc1C(F)(F)F ZINC000181333261 870845379 /nfs/dbraw/zinc/84/53/79/870845379.db2.gz OUKOBYMRTIPUEV-UHFFFAOYSA-N 0 1 397.334 3.963 20 5 GHBDMN O=C1CCN1c1cccc(CNCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 ZINC000441193881 870926399 /nfs/dbraw/zinc/92/63/99/870926399.db2.gz IMGHIUQQBCWZQD-UHFFFAOYSA-N 0 1 377.400 3.881 20 5 GHBDMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000447062559 870943862 /nfs/dbraw/zinc/94/38/62/870943862.db2.gz BKNIYELOGVLZQY-UHFFFAOYSA-N 0 1 395.257 3.650 20 5 GHBDMN O=[N+]([O-])C[C@H]1CC[C@H](N2CCN(c3ccc(F)c(Cl)c3Cl)CC2)C1 ZINC001169057738 871143994 /nfs/dbraw/zinc/14/39/94/871143994.db2.gz XOQWSAOTEIWAHB-RYUDHWBXSA-N 0 1 376.259 3.700 20 5 GHBDMN CN(C)[C@@H](CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1cccs1 ZINC000181747013 871443294 /nfs/dbraw/zinc/44/32/94/871443294.db2.gz NHRBKYZRCNWDSZ-ZDUSSCGKSA-N 0 1 399.925 3.821 20 5 GHBDMN CC[C@@H](NCc1cccc([N+](=O)[O-])c1)c1ccccc1OCC(=O)N1CCCC1 ZINC000069754629 871472715 /nfs/dbraw/zinc/47/27/15/871472715.db2.gz OJUWSWZKMCGAJM-HXUWFJFHSA-N 0 1 397.475 3.837 20 5 GHBDMN O=[N+]([O-])c1ccc(N2CCN(CCc3ccccc3)CC2)cc1OC(F)F ZINC000462083143 871547559 /nfs/dbraw/zinc/54/75/59/871547559.db2.gz GFFBOYRIPAQAFV-UHFFFAOYSA-N 0 1 377.391 3.561 20 5 GHBDMN C[C@](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)(c1ccccc1)C(F)(F)F ZINC000463377371 871588388 /nfs/dbraw/zinc/58/83/88/871588388.db2.gz TZRBNTVLJUPTFJ-INIZCTEOSA-N 0 1 378.310 3.679 20 5 GHBDMN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1cc(F)ccc1N1CCOCC1)CCC2 ZINC000447545223 871817094 /nfs/dbraw/zinc/81/70/94/871817094.db2.gz WTUQUUIPTWMXKY-FQEVSTJZSA-N 0 1 385.439 3.738 20 5 GHBDMN COc1ccccc1[C@@H](CC(C)C)NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000539381296 871863968 /nfs/dbraw/zinc/86/39/68/871863968.db2.gz QSTRCSLUMDZEOQ-LJQANCHMSA-N 0 1 385.464 3.943 20 5 GHBDMN CC(C)[C@@H]1C[C@@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000447591148 871900924 /nfs/dbraw/zinc/90/09/24/871900924.db2.gz BYGMILSYWOTLLX-VQTJNVASSA-N 0 1 388.489 3.843 20 5 GHBDMN COc1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)ccc1C(F)(F)F ZINC000447777525 872265940 /nfs/dbraw/zinc/26/59/40/872265940.db2.gz GERPHPOJZRCEGK-UHFFFAOYSA-N 0 1 390.339 3.731 20 5 GHBDMN Cc1ccc(-c2cc(=NC(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)[nH][nH]2)o1 ZINC000447800895 872284014 /nfs/dbraw/zinc/28/40/14/872284014.db2.gz YVKKLCXPLHSATP-UHFFFAOYSA-N 0 1 380.282 3.579 20 5 GHBDMN COc1ccc(OCCN2CCC[C@H]3O[C@@H](c4ccccc4)C[C@H]32)c([N+](=O)[O-])c1 ZINC001195704078 872595166 /nfs/dbraw/zinc/59/51/66/872595166.db2.gz FXJISCKFWNOXTH-STZQEDGTSA-N 0 1 398.459 3.977 20 5 GHBDMN CCc1c(NS(=O)(=O)c2cccc([N+](=O)[O-])c2OC)cnn1C(CC)CC ZINC000619468399 872662945 /nfs/dbraw/zinc/66/29/45/872662945.db2.gz ZWMDLNOOLPJARS-UHFFFAOYSA-N 0 1 396.469 3.524 20 5 GHBDMN CN(C)c1cccc([C@H]2CCCN2[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000448035783 872725500 /nfs/dbraw/zinc/72/55/00/872725500.db2.gz SIHZTXQAXLJZBT-NHCUHLMSSA-N 0 1 394.475 3.603 20 5 GHBDMN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000537644125 882692292 /nfs/dbraw/zinc/69/22/92/882692292.db2.gz JBVQIMWUORIDKZ-UHFFFAOYSA-N 0 1 381.476 3.698 20 5 GHBDMN CCOc1ccccc1[C@H](CC)NC(=O)CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001197646096 873945016 /nfs/dbraw/zinc/94/50/16/873945016.db2.gz BBVNPYJZPMDRFU-BEFAXECRSA-N 0 1 385.464 3.912 20 5 GHBDMN C[C@@H](N[C@@H]1CC2(CCC2)Oc2ccccc21)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001197673190 873962003 /nfs/dbraw/zinc/96/20/03/873962003.db2.gz WCPAMIWIRSIDST-RDTXWAMCSA-N 0 1 381.432 3.958 20 5 GHBDMN O=C1CCCCN1[C@H]1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000769343914 873985741 /nfs/dbraw/zinc/98/57/41/873985741.db2.gz VNJLHHBDMAYTKW-SFHVURJKSA-N 0 1 383.448 3.832 20 5 GHBDMN C[C@H](COCC1CCCCC1)NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC001197999823 874153598 /nfs/dbraw/zinc/15/35/98/874153598.db2.gz BTUOEADMPBCYBI-CYBMUJFWSA-N 0 1 383.876 3.762 20 5 GHBDMN COC(=O)COc1ccc(CN2CCC[C@@H]2c2ccc(C)s2)cc1[N+](=O)[O-] ZINC000475721349 882813509 /nfs/dbraw/zinc/81/35/09/882813509.db2.gz CVVNUCAJUXIEOG-OAHLLOKOSA-N 0 1 390.461 3.854 20 5 GHBDMN CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000775836715 874332898 /nfs/dbraw/zinc/33/28/98/874332898.db2.gz IJTKHRPCBICBRF-DSLXNQLJSA-N 0 1 390.480 3.603 20 5 GHBDMN COC(=O)[C@@H]1CCCCC[C@@H]1NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000449416162 874812386 /nfs/dbraw/zinc/81/23/86/874812386.db2.gz RJUSUAXZFPQLLV-SJORKVTESA-N 0 1 389.477 3.930 20 5 GHBDMN CCO[C@@H]1C[C@@H](NCc2cc(Cl)ccc2[N+](=O)[O-])[C@H]1Oc1ccccc1 ZINC000776010119 875122152 /nfs/dbraw/zinc/12/21/52/875122152.db2.gz ZOXZKLYLOWCIDZ-BHIYHBOVSA-N 0 1 376.840 3.963 20 5 GHBDMN CCO[C@@H]1C[C@H](NCc2cc(Cl)ccc2[N+](=O)[O-])[C@H]1Oc1ccccc1 ZINC000776010125 875122333 /nfs/dbraw/zinc/12/23/33/875122333.db2.gz ZOXZKLYLOWCIDZ-QXAKKESOSA-N 0 1 376.840 3.963 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCc1ccc(N2CCCCC2=O)cc1 ZINC000850427480 876909984 /nfs/dbraw/zinc/90/99/84/876909984.db2.gz UXAZCCFLIRJYDB-OAHLLOKOSA-N 0 1 383.448 3.971 20 5 GHBDMN Cc1ccc(NC(=O)c2ccc(N3CCN(C)C[C@@H]3C(C)C)c([N+](=O)[O-])c2)cc1 ZINC000609965552 877225747 /nfs/dbraw/zinc/22/57/47/877225747.db2.gz JWZDDKOPKARJOX-OAQYLSRUSA-N 0 1 396.491 3.932 20 5 GHBDMN Cc1ccc2nc([C@@H]3CCCN3Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)[nH]c2c1 ZINC000451016287 877236774 /nfs/dbraw/zinc/23/67/74/877236774.db2.gz NJKOXIHDQWRYOX-SFHVURJKSA-N 0 1 376.420 3.993 20 5 GHBDMN CO[C@H](CS(=O)(=O)Nc1cc([N+](=O)[O-])ccc1NC(C)C)c1ccccc1 ZINC000451093347 877358895 /nfs/dbraw/zinc/35/88/95/877358895.db2.gz FECPXZOYLDLJOB-GOSISDBHSA-N 0 1 393.465 3.545 20 5 GHBDMN CC(=O)c1cccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c1 ZINC000192729882 877370679 /nfs/dbraw/zinc/37/06/79/877370679.db2.gz PUDURRLUVCRBNZ-UHFFFAOYSA-N 0 1 388.323 3.617 20 5 GHBDMN O=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000175677210 877453315 /nfs/dbraw/zinc/45/33/15/877453315.db2.gz QMYDYLBFODBMKS-UHFFFAOYSA-N 0 1 391.830 3.782 20 5 GHBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@H](CO)[C@@H]2CC)cc1OC ZINC000451250266 877662356 /nfs/dbraw/zinc/66/23/56/877662356.db2.gz DDWRMGWYBONIJO-UXLLHSPISA-N 0 1 380.485 3.621 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCc2nc(C3CCCCC3)[nH]c2C1 ZINC000788248871 877951051 /nfs/dbraw/zinc/95/10/51/877951051.db2.gz YMVYUMFZBZEWAD-OAHLLOKOSA-N 0 1 382.464 3.961 20 5 GHBDMN C[C@H](NCc1cc2c(c(Br)c1)OCO2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788563059 878156508 /nfs/dbraw/zinc/15/65/08/878156508.db2.gz JZPHYACVERNTBV-VIFPVBQESA-N 0 1 394.225 3.519 20 5 GHBDMN Cc1ccc([C@@H](C)NC(=O)NCc2ccc(F)c(CN(C)C)c2)cc1[N+](=O)[O-] ZINC000176233500 878158852 /nfs/dbraw/zinc/15/88/52/878158852.db2.gz RXPMZHWWHZNYTL-CQSZACIVSA-N 0 1 388.443 3.664 20 5 GHBDMN C[C@H](NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788795696 878325435 /nfs/dbraw/zinc/32/54/35/878325435.db2.gz NOYUSYKVCGWNAK-VIFPVBQESA-N 0 1 384.314 3.955 20 5 GHBDMN 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BLWUZXFZBZFYQB-IBGZPJMESA-N 0 1 383.448 3.500 20 5 GHBDMN CCCOc1cc(NC(=O)NCc2cc(C)[nH]n2)c([N+](=O)[O-])cc1OCCC ZINC000609600768 883404433 /nfs/dbraw/zinc/40/44/33/883404433.db2.gz ZQCOVWGSWIJYNA-UHFFFAOYSA-N 0 1 391.428 3.526 20 5 GHBDMN Cc1ccc(CNCC(=O)Nc2ccc(Br)cc2C)cc1[N+](=O)[O-] ZINC000500033700 883713791 /nfs/dbraw/zinc/71/37/91/883713791.db2.gz HTCDPLYIWVUPHE-UHFFFAOYSA-N 0 1 392.253 3.702 20 5 GHBDMN O=C(CCN[C@H](c1ccccc1)c1ccccn1)Nc1ccccc1[N+](=O)[O-] ZINC000026230680 884218327 /nfs/dbraw/zinc/21/83/27/884218327.db2.gz WIBRUKQLFJUNRZ-OAQYLSRUSA-N 0 1 376.416 3.698 20 5 GHBDMN COc1cccc([C@@H](O)C2CCN(Cc3ccc([N+](=O)[O-])c(OC)c3)CC2)c1 ZINC000860135571 884355633 /nfs/dbraw/zinc/35/56/33/884355633.db2.gz PQKJRGPUILWCPF-NRFANRHFSA-N 0 1 386.448 3.558 20 5 GHBDMN COc1ccc(C(=O)N2C[C@H](C)N(Cc3ccccc3)[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC001130668725 884808907 /nfs/dbraw/zinc/80/89/07/884808907.db2.gz PNUUNDVEKJBBTN-BBWFWOEESA-N 0 1 397.475 3.727 20 5 GHBDMN Cc1ccc2nc([C@H]3CCCN3C(=O)NCCc3ccc([N+](=O)[O-])cc3)[nH]c2c1 ZINC000064226641 884829162 /nfs/dbraw/zinc/82/91/62/884829162.db2.gz MIDFDDCALPFQHK-LJQANCHMSA-N 0 1 393.447 3.869 20 5 GHBDMN O=[N+]([O-])c1cc(F)cc(NS(=O)(=O)c2ccc(F)cc2C(F)(F)F)c1 ZINC000475840313 885223349 /nfs/dbraw/zinc/22/33/49/885223349.db2.gz ZZZKPTYFGRBULG-UHFFFAOYSA-N 0 1 382.266 3.693 20 5 GHBDMN Cc1cc(Cl)c([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(Cl)nc1C ZINC000808093694 886010252 /nfs/dbraw/zinc/01/02/52/886010252.db2.gz RIQSIZMBYHAKIZ-UHFFFAOYSA-N 0 1 376.221 3.714 20 5 GHBDMN Nc1ccc(C(=O)Nc2cc(Br)cc(Cl)c2O)cc1[N+](=O)[O-] ZINC000762327803 886036277 /nfs/dbraw/zinc/03/62/77/886036277.db2.gz GVYKXQNNVUIQBN-UHFFFAOYSA-N 0 1 386.589 3.551 20 5 GHBDMN CC(C)[C@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC001131238788 886240103 /nfs/dbraw/zinc/24/01/03/886240103.db2.gz HGDYCIDPPGGFMV-JOCHJYFZSA-N 0 1 395.503 3.896 20 5 GHBDMN Cc1nn(CN2CCC(Cc3cccc(F)c3)CC2)c2ncc([N+](=O)[O-])cc12 ZINC000749938371 887300401 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3.770 20 5 GHBDMN CCOCCC1(CN[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000272559893 887730738 /nfs/dbraw/zinc/73/07/38/887730738.db2.gz TVWRAVZEZFJJNB-IBGZPJMESA-N 0 1 386.496 3.994 20 5 GHBDMN CN(C)C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(Cl)c1 ZINC001131954644 887998898 /nfs/dbraw/zinc/99/88/98/887998898.db2.gz XIADWWVCTQVJDI-KRWDZBQOSA-N 0 1 396.274 3.863 20 5 GHBDMN O=[N+]([O-])c1cc(Br)ccc1NC1CCN(Cc2ccncc2)CC1 ZINC000194066958 888011377 /nfs/dbraw/zinc/01/13/77/888011377.db2.gz RRXNNPPVDXZYTM-UHFFFAOYSA-N 0 1 391.269 3.829 20 5 GHBDMN CCO[C@@H]1C[C@](CO)(NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1(C)C ZINC000809985456 888042038 /nfs/dbraw/zinc/04/20/38/888042038.db2.gz LEAQHNHFLTWECJ-CZUORRHYSA-N 0 1 377.268 3.557 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1CN[C@H](C)c1ccc(N2CCCCC2=O)cc1 ZINC000810129520 888196202 /nfs/dbraw/zinc/19/62/02/888196202.db2.gz GZNFCZFMQQPTBB-OAHLLOKOSA-N 0 1 383.448 3.971 20 5 GHBDMN O=C(Nc1n[nH]c2cnc(Br)cc12)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001132518542 888980700 /nfs/dbraw/zinc/98/07/00/888980700.db2.gz XQBFZEUHJMJGGD-UHFFFAOYSA-N 0 1 396.588 3.534 20 5 GHBDMN Cc1ccc(C(=O)NCCNCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc1 ZINC000811474937 889660978 /nfs/dbraw/zinc/66/09/78/889660978.db2.gz FXUOSEZBQBWFFJ-UHFFFAOYSA-N 0 1 382.247 3.730 20 5 GHBDMN CC(C)(C)N1CCc2nc(NC(=O)Cc3cccc(F)c3[N+](=O)[O-])sc2C1 ZINC000868964074 889688223 /nfs/dbraw/zinc/68/82/23/889688223.db2.gz UMOOJXIXXLMIQD-UHFFFAOYSA-N 0 1 392.456 3.528 20 5 GHBDMN CN(C)CCN(C(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccccc1 ZINC000063829318 889764819 /nfs/dbraw/zinc/76/48/19/889764819.db2.gz GHIIFQIXBJKVBG-UHFFFAOYSA-N 0 1 399.494 3.750 20 5 GHBDMN COc1cccc(C[C@H]2CCCN2Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c1 ZINC000533246331 890130795 /nfs/dbraw/zinc/13/07/95/890130795.db2.gz XFWKDTXFEFCJTK-GOSISDBHSA-N 0 1 394.431 3.861 20 5 GHBDMN CCN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812850142 891041463 /nfs/dbraw/zinc/04/14/63/891041463.db2.gz LWGOCSBSUMKNHO-IFXJQAMLSA-N 0 1 382.420 3.589 20 5 GHBDMN Cc1ccc([C@H](CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)N2CCCC2)o1 ZINC000825684136 891721794 /nfs/dbraw/zinc/72/17/94/891721794.db2.gz XSIPMQRTWWHCQM-INIZCTEOSA-N 0 1 377.828 3.717 20 5 GHBDMN CC(C)(C)OC(=O)N1CC[C@@H]2CN(C/C=C/c3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000814175945 892331330 /nfs/dbraw/zinc/33/13/30/892331330.db2.gz KTNKAUIIYCVUEY-IGCXZHCHSA-N 0 1 387.480 3.939 20 5 GHBDMN CC(C)Oc1ccc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(F)c1 ZINC000497868840 892584738 /nfs/dbraw/zinc/58/47/38/892584738.db2.gz PNKHDBTYAFAAEX-UHFFFAOYSA-N 0 1 388.804 3.975 20 5 GHBDMN Cc1cccc2nc(CCC(=O)N3CCS[C@@H]3c3ccc([N+](=O)[O-])cc3)[nH]c21 ZINC000498150398 893411802 /nfs/dbraw/zinc/41/18/02/893411802.db2.gz WKKLWQSDRWPJCR-HXUWFJFHSA-N 0 1 396.472 3.986 20 5 GHBDMN O=[N+]([O-])c1c(N2CCCN(Cc3ccc(Cl)cc3)CC2)nc2ccccn21 ZINC000022195689 893706767 /nfs/dbraw/zinc/70/67/67/893706767.db2.gz AWARAIIGYIBMHP-UHFFFAOYSA-N 0 1 385.855 3.608 20 5 GHBDMN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNC[C@H]1CC2(CO1)CCOCC2 ZINC000877729189 893778617 /nfs/dbraw/zinc/77/86/17/893778617.db2.gz OCNZKXNWWYTSBI-CYBMUJFWSA-N 0 1 375.252 3.577 20 5 GHBDMN CCC[C@H](N[C@@H]1CCN(c2ccccc2OC)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000536845547 893921479 /nfs/dbraw/zinc/92/14/79/893921479.db2.gz LYDQGTMHYFUHHL-ZWKOTPCHSA-N 0 1 383.448 3.840 20 5 GHBDMN CN(CCNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)Cc1ccc(F)cc1 ZINC001126774629 895230204 /nfs/dbraw/zinc/23/02/04/895230204.db2.gz NKXDTNNBGPSJEK-UHFFFAOYSA-N 0 1 387.455 3.893 20 5 GHBDMN C[C@H](c1ccc(CN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1)C(F)(F)F ZINC000567337287 897072963 /nfs/dbraw/zinc/07/29/63/897072963.db2.gz TVQMRRAWNKZAOZ-CQSZACIVSA-N 0 1 394.397 3.978 20 5 GHBDMN COc1ccc([C@H](C)N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c(OC)c1 ZINC000042184452 897271381 /nfs/dbraw/zinc/27/13/81/897271381.db2.gz RTCLFIOHUQBQBZ-UONOGXRCSA-N 0 1 387.436 3.598 20 5 GHBDMN CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CCCC[C@@H]2C2(O)CC2)cc1OC 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/nfs/dbraw/zinc/72/37/65/899723765.db2.gz GRKICJLOPJTIGS-CQSZACIVSA-N 0 1 384.436 3.518 20 5 GHBDMN Cc1nc(-c2ccccc2)[nH]c1C(=O)O[C@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000778787342 899789111 /nfs/dbraw/zinc/78/91/11/899789111.db2.gz LMNXOMRRYTZVLV-SFHVURJKSA-N 0 1 392.415 3.729 20 5 GHBDMN COc1ccc(CNCc2cnn(C)c2C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000156577215 899859455 /nfs/dbraw/zinc/85/94/55/899859455.db2.gz FBHNHHWTPQIYTD-UHFFFAOYSA-N 0 1 396.447 3.514 20 5 GHBDMN CCC[C@@H](C)NC(=O)[C@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000303190289 914388845 /nfs/dbraw/zinc/38/88/45/914388845.db2.gz FKGIKXROHCDCTK-SJORKVTESA-N 0 1 391.512 3.899 20 5 GHBDMN O=[N+]([O-])c1ccc2oc(CN3CCC[C@@H]3C[C@H](O)c3ccc(F)cc3)nc2c1 ZINC000134807354 900124189 /nfs/dbraw/zinc/12/41/89/900124189.db2.gz JOBOSUZEOBKGIW-QAPCUYQASA-N 0 1 385.395 3.963 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135224497 900205154 /nfs/dbraw/zinc/20/51/54/900205154.db2.gz ZGCWYJFEEIIYJR-UHFFFAOYSA-N 0 1 398.419 3.805 20 5 GHBDMN C[C@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000844207239 900602367 /nfs/dbraw/zinc/60/23/67/900602367.db2.gz DKQWJBNQLGCEGO-QVFMIUSGSA-N 0 1 381.432 3.940 20 5 GHBDMN CCOc1ccc(NC(=O)CN(C)[C@H](C)Cc2ccccc2C)c([N+](=O)[O-])c1 ZINC000574510084 900913728 /nfs/dbraw/zinc/91/37/28/900913728.db2.gz AXGRMIAYSKWZSM-MRXNPFEDSA-N 0 1 385.464 3.803 20 5 GHBDMN COC(=O)c1ccc(NCc2cc(OC)c(O)c([N+](=O)[O-])c2)c2ccccc12 ZINC000600849045 903002772 /nfs/dbraw/zinc/00/27/72/903002772.db2.gz DBPMVJAXSREUGM-UHFFFAOYSA-N 0 1 382.372 3.861 20 5 GHBDMN Cc1cc(N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000579243331 904451576 /nfs/dbraw/zinc/45/15/76/904451576.db2.gz AKZBLFZNLPEEIN-KRWDZBQOSA-N 0 1 383.448 3.560 20 5 GHBDMN CCOC[C@H]1CN([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)Cc2cnn(CC)c21 ZINC001172909029 905968736 /nfs/dbraw/zinc/96/87/36/905968736.db2.gz QPBUESMAMAPCHU-UXHICEINSA-N 0 1 398.507 3.695 20 5 GHBDMN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCO[C@H]2[C@H](OCC3CCCC3)CC[C@@H]21 ZINC001173221770 906299582 /nfs/dbraw/zinc/29/95/82/906299582.db2.gz MBZKMFSYYAMRFG-FBEWHJACSA-N 0 1 388.508 3.964 20 5 GHBDMN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCO[C@]2(CCCN(c3ccccc3)C2)C1 ZINC001173223452 906302856 /nfs/dbraw/zinc/30/28/56/906302856.db2.gz FXUQKSAOYLGBMO-AUSIDOKSSA-N 0 1 395.503 3.897 20 5 GHBDMN CO[C@H](CN1CCN([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 ZINC001173230764 906316654 /nfs/dbraw/zinc/31/66/54/906316654.db2.gz FNWIRAKAPMAGRT-PGRDOPGGSA-N 0 1 383.492 3.531 20 5 GHBDMN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)NC1(c2cccc(Br)c2)COC1 ZINC001173214635 906331128 /nfs/dbraw/zinc/33/11/28/906331128.db2.gz DAMMHNITWXALDZ-ZDUSSCGKSA-N 0 1 391.265 3.804 20 5 GHBDMN CC(=O)Nc1cccc(NC(=O)[C@H](C)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000178680633 906371429 /nfs/dbraw/zinc/37/14/29/906371429.db2.gz XLEMRKMWJDZPPN-KBPBESRZSA-N 0 1 384.436 3.539 20 5 GHBDMN COc1cc(CN2CCC(C)(O)CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000179727210 906575679 /nfs/dbraw/zinc/57/56/79/906575679.db2.gz XQHBDBPQKQSRMC-UHFFFAOYSA-N 0 1 386.448 3.529 20 5 GHBDMN Cc1ccc([C@@H](C)Nc2cccc(CN3CCC[C@@H]3C(N)=O)c2)cc1[N+](=O)[O-] ZINC000183002083 907310025 /nfs/dbraw/zinc/31/00/25/907310025.db2.gz GDXFCUXSXOIZEE-DNVCBOLYSA-N 0 1 382.464 3.526 20 5 GHBDMN O=[N+]([O-])c1cccc(CN2CCC(Cc3nc(-c4ccc(F)cn4)no3)CC2)c1 ZINC001176022013 907886001 /nfs/dbraw/zinc/88/60/01/907886001.db2.gz VQOGDKWXUYBHPE-UHFFFAOYSA-N 0 1 397.410 3.634 20 5 GHBDMN COc1ccc([C@H](CNc2ccc(C(C)=O)cc2[N+](=O)[O-])N(C)C)cc1OC ZINC000192905915 908008630 /nfs/dbraw/zinc/00/86/30/908008630.db2.gz RDTLIEKGFUYXFV-SFHVURJKSA-N 0 1 387.436 3.529 20 5 GHBDMN CN(Cc1ccc(F)cc1[N+](=O)[O-])CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001176971394 908339053 /nfs/dbraw/zinc/33/90/53/908339053.db2.gz QLQNHFQFVFNSTQ-UHFFFAOYSA-N 0 1 381.448 3.813 20 5 GHBDMN C[C@H]1CN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCN1C1CCCC1 ZINC001177713632 908726767 /nfs/dbraw/zinc/72/67/67/908726767.db2.gz WSHVISNQNYMBQP-NSHDSACASA-N 0 1 386.279 3.991 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2noc(CSc3nc(Cc4ccccc4)n[nH]3)n2)c1 ZINC000194606796 908900794 /nfs/dbraw/zinc/90/07/94/908900794.db2.gz HYLOVINDHFJNSO-UHFFFAOYSA-N 0 1 394.416 3.646 20 5 GHBDMN CC(C)C[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1nc2ccccc2[nH]1 ZINC000195539715 909017451 /nfs/dbraw/zinc/01/74/51/909017451.db2.gz IAJQOHUEUYPYKI-KRWDZBQOSA-N 0 1 392.419 3.865 20 5 GHBDMN Cc1c(CN[C@@H]2CCCN([C@H](C)c3ccc(F)cc3)C2=O)cccc1[N+](=O)[O-] ZINC001178791367 909229419 /nfs/dbraw/zinc/22/94/19/909229419.db2.gz ZBLXUFWIJPKINS-DNVCBOLYSA-N 0 1 385.439 3.884 20 5 GHBDMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000271621175 910989085 /nfs/dbraw/zinc/98/90/85/910989085.db2.gz DYKIWNNTFADOPK-MRXNPFEDSA-N 0 1 397.479 3.538 20 5 GHBDMN COc1cc(CN2CCC3(CCOCC3)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000284681294 911986018 /nfs/dbraw/zinc/98/60/18/911986018.db2.gz GYANFJUAAJQRKS-UHFFFAOYSA-N 0 1 386.395 3.597 20 5 GHBDMN O=[N+]([O-])c1ccc([O-])cc1C[NH+]1CCC(c2nc(-c3ccccc3)no2)CC1 ZINC000093104001 912061885 /nfs/dbraw/zinc/06/18/85/912061885.db2.gz WQFSYYBJQWKMBE-UHFFFAOYSA-N 0 1 380.404 3.730 20 5 GHBDMN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@H]1c1cccc(Br)c1 ZINC001190407438 917316512 /nfs/dbraw/zinc/31/65/12/917316512.db2.gz OAMVCFMXUIVQRW-HNNXBMFYSA-N 0 1 379.258 3.699 20 5 GHBDMN Cc1cccc(CN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC(C)C)c1 ZINC001190561989 917410730 /nfs/dbraw/zinc/41/07/30/917410730.db2.gz VNASSZORLSIGBD-UHFFFAOYSA-N 0 1 381.476 3.951 20 5 GHBDMN O=C1[C@@H](N2CCC[C@H](Cc3ccccc3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC001190855109 917604911 /nfs/dbraw/zinc/60/49/11/917604911.db2.gz NUMUDQCKXAMXTR-NQIIRXRSSA-N 0 1 379.460 3.655 20 5 GHBDMN O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3c(Cl)ccc4cccnc43)C2)nc1 ZINC000118866957 919597961 /nfs/dbraw/zinc/59/79/61/919597961.db2.gz GQIHUICJJRLDHB-AWEZNQCLSA-N 0 1 383.839 3.878 20 5 GHBDMN C[C@H](c1ccccc1)N1CC[C@](F)(COC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000802148103 921860360 /nfs/dbraw/zinc/86/03/60/921860360.db2.gz YSWOTJVXNVEVFB-IIBYNOLFSA-N 0 1 386.423 3.856 20 5 GHBDMN O=C([O-])[C@@H]1[C@@H]2CC[N@@H+](Cc3ccc(Oc4ccc(F)cc4)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000902554634 922279012 /nfs/dbraw/zinc/27/90/12/922279012.db2.gz UVXQNLREKWJRRL-JTDSTZFVSA-N 0 1 386.379 3.679 20 5 GHBDMN CCC[C@@H](NCc1cccc(N(C)S(C)(=O)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000903423278 923010758 /nfs/dbraw/zinc/01/07/58/923010758.db2.gz VJDGVAVKJUWBDB-LJQANCHMSA-N 0 1 391.493 3.622 20 5 GHBDMN Cc1cc([N+](=O)[O-])c(F)c(C(=O)NC[C@H]2CCCN2Cc2ccccc2)c1F ZINC000827827237 926057934 /nfs/dbraw/zinc/05/79/34/926057934.db2.gz QWCHUPGPRULRGN-OAHLLOKOSA-N 0 1 389.402 3.576 20 5 GHBDMN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000726601891 926757268 /nfs/dbraw/zinc/75/72/68/926757268.db2.gz SYYGCOXEHYXBRS-QAPCUYQASA-N 0 1 393.484 3.741 20 5 GHBDMN O=[N+]([O-])c1cccc2ncnc(NC3CCN(Cc4ccc(F)cc4)CC3)c21 ZINC000544410024 929142541 /nfs/dbraw/zinc/14/25/41/929142541.db2.gz PROGPTWBOMMGJG-UHFFFAOYSA-N 0 1 381.411 3.754 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2cnn(CN(CCc3ccccc3)[C@@H]3CCOC3)c2)cc1 ZINC000753100351 929205082 /nfs/dbraw/zinc/20/50/82/929205082.db2.gz NXVSGCTUJXXXDQ-JOCHJYFZSA-N 0 1 392.459 3.749 20 5 GHBDMN CC[C@H]1CN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CCN1Cc1ccccc1 ZINC000544768037 929559316 /nfs/dbraw/zinc/55/93/16/929559316.db2.gz UFWHHHZGCPHRCW-KRWDZBQOSA-N 0 1 392.459 3.813 20 5 GHBDMN CN(C)[C@H]1CCOc2c(NC(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)cccc21 ZINC000469201630 929681279 /nfs/dbraw/zinc/68/12/79/929681279.db2.gz XSECHUWDIMHGTJ-INIZCTEOSA-N 0 1 380.404 3.714 20 5 GHBDMN Cc1c(Cc2noc([C@@H]3CCCN(Cc4cccnc4)C3)n2)cccc1[N+](=O)[O-] ZINC000546493411 930212213 /nfs/dbraw/zinc/21/22/13/930212213.db2.gz AQBUSPWAOLCQMU-GOSISDBHSA-N 0 1 393.447 3.652 20 5 GHBDMN COC(=O)[C@@H]1CCN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)[C@H]1C ZINC000470156772 930415488 /nfs/dbraw/zinc/41/54/88/930415488.db2.gz RMAAWOKHZBMDDL-SUMWQHHRSA-N 0 1 388.395 3.910 20 5 GHBDMN CN(C)[C@@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)c1ccc(F)cc1 ZINC000547274541 930873245 /nfs/dbraw/zinc/87/32/45/930873245.db2.gz DUGLGGCEWMYGBI-SFHVURJKSA-N 0 1 391.418 3.570 20 5 GHBDMN Cn1cc(C(=O)Nc2cc(Cl)c(O)cc2F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000557435933 931425257 /nfs/dbraw/zinc/42/52/57/931425257.db2.gz DTTKZYVLXMZTON-UHFFFAOYSA-N 0 1 390.758 3.746 20 5 GHBDMN COc1cc(CN2CCC(N3CCc4cc(F)ccc43)CC2)ccc1[N+](=O)[O-] ZINC000558730002 932197593 /nfs/dbraw/zinc/19/75/93/932197593.db2.gz LLJTUQVUNBQQRU-UHFFFAOYSA-N 0 1 385.439 3.770 20 5 GHBDMN CN(CCCOCc1ccccc1)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000799163647 932894495 /nfs/dbraw/zinc/89/44/95/932894495.db2.gz SYCQXDRVIFIZEH-UHFFFAOYSA-N 0 1 380.448 3.955 20 5 GHBDMN CC(C)(C)OC(=O)NC[C@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(C)(C)C ZINC000799203179 932914483 /nfs/dbraw/zinc/91/44/83/932914483.db2.gz IEMZNFJVSGLMCS-HNNXBMFYSA-N 0 1 391.472 3.500 20 5 GHBDMN Cc1ccc(CN2CCCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)CC2)cc1 ZINC001116100205 933334564 /nfs/dbraw/zinc/33/45/64/933334564.db2.gz HCBZLYKSKKQEID-UHFFFAOYSA-N 0 1 387.867 3.905 20 5 GHBDMN COc1ccccc1[C@@H]1CCN(Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000777957064 934384999 /nfs/dbraw/zinc/38/49/99/934384999.db2.gz OZQSNTRSPJAHNS-QGZVFWFLSA-N 0 1 378.432 3.914 20 5 GHBDMN O=C(Nc1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(C(F)(F)F)c1)c1ccccc1 ZINC001124991118 935504791 /nfs/dbraw/zinc/50/47/91/935504791.db2.gz WELLLUCQCIXDAJ-IUODEOHRSA-N 0 1 393.321 3.561 20 5 GHBDMN O=C([O-])C1CCN(c2ccc(C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C3CC3)o2)CC1 ZINC001594939039 954863973 /nfs/dbraw/zinc/86/39/73/954863973.db2.gz LJVVYUIKSMCBQU-UHFFFAOYSA-N 0 1 399.447 3.653 20 5 GHBDMN O=C([O-])C1CCN(c2ccc(C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C3CC3)o2)CC1 ZINC001594939039 954863988 /nfs/dbraw/zinc/86/39/88/954863988.db2.gz LJVVYUIKSMCBQU-UHFFFAOYSA-N 0 1 399.447 3.653 20 5 GHBDMN Cc1cccc([C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Br)C(=O)[O-])c1 ZINC001605331582 973212209 /nfs/dbraw/zinc/21/22/09/973212209.db2.gz XSCHDDJOJQJBKT-HNNXBMFYSA-N 0 1 379.210 3.581 20 5 GHBDMN O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccc(F)c(F)c1O ZINC001625987871 1014639624 /nfs/dbraw/zinc/63/96/24/1014639624.db2.gz GTQXVWUIVUEMHZ-UHFFFAOYSA-N 0 1 380.350 3.777 20 5 GHBDMN CC(C)(C)n1c[nH+]cc1[C@@H]1CCCN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001590603176 990265052 /nfs/dbraw/zinc/26/50/52/990265052.db2.gz RRUDQLNTIANEGQ-OAHLLOKOSA-N 0 1 386.452 3.557 20 5 GHBDMN CN(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)c1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC001598503445 992467073 /nfs/dbraw/zinc/46/70/73/992467073.db2.gz OBOPGIJDHOFBNP-IBGZPJMESA-N 0 1 397.475 3.713 20 5 GHBDMN COC[C@H]([NH2+]Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001599176490 996854464 /nfs/dbraw/zinc/85/44/64/996854464.db2.gz CMPRQFSDCPNBPM-HNNXBMFYSA-N 0 1 398.337 3.789 20 5 GHBDMN COc1cc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)ccc1[N+](=O)[O-] ZINC000468918125 1016215275 /nfs/dbraw/zinc/21/52/75/1016215275.db2.gz KHHJUBUDUBTGHC-UHFFFAOYSA-N 0 1 377.205 3.711 20 5 GHBDMN COC[C@@H](C)[N@@H+](Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])[C@@H]1CCc2ccccc21 ZINC001599161920 998473529 /nfs/dbraw/zinc/47/35/29/998473529.db2.gz PZTAZFMYWGTZBJ-JLTOFOAXSA-N 0 1 384.432 3.817 20 5 GHBDMN C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001594267386 999036922 /nfs/dbraw/zinc/03/69/22/999036922.db2.gz XGUREBFJCLTFHN-XJKSGUPXSA-N 0 1 388.395 3.575 20 5 GHBDMN CN1CCN(c2ccccc2-c2noc(-c3cc(Cl)cc([N+](=O)[O-])c3)n2)CC1 ZINC000545722358 1016297245 /nfs/dbraw/zinc/29/72/45/1016297245.db2.gz NMFLABRQNGMQCX-UHFFFAOYSA-N 0 1 399.838 3.717 20 5 GHBDMN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Oc1[n-]c(=O)nc2cc([N+](=O)[O-])ccc21 ZINC001228243122 1032858582 /nfs/dbraw/zinc/85/85/82/1032858582.db2.gz UMDSUGAAUNHFDW-AUUYWEPGSA-N 0 1 394.431 3.533 20 5 GHBDMN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Oc1[n-]c(=O)nc2cc([N+](=O)[O-])ccc21 ZINC001228243124 1032859331 /nfs/dbraw/zinc/85/93/31/1032859331.db2.gz UMDSUGAAUNHFDW-KUHUBIRLSA-N 0 1 394.431 3.533 20 5 GHBDMN CN(C(=O)OC(C)(C)C)c1ccc(OC(=O)c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000779669727 1020914469 /nfs/dbraw/zinc/91/44/69/1020914469.db2.gz JAIYICXLBNLHAP-UHFFFAOYSA-N 0 1 388.376 3.891 20 5 GHBDMN Cc1cc2nc3nc(=O)[n-]c(O[C@H]4C[C@H]5CC[C@@H](C4)[N@@H+]5C(C)C)c3nc2cc1C ZINC001228685403 1033044522 /nfs/dbraw/zinc/04/45/22/1033044522.db2.gz GERALSANBZQEAE-ZSHCYNCHSA-N 0 1 393.491 3.678 20 5 GHBDMN CCOc1cc(CN2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000755005402 1023014303 /nfs/dbraw/zinc/01/43/03/1023014303.db2.gz PYUNLACEHWYMGG-MRXNPFEDSA-N 0 1 393.484 3.682 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1CN[C@H](C)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC001204953505 1033182672 /nfs/dbraw/zinc/18/26/72/1033182672.db2.gz WHHZOIBGLLXTDX-RHSMWYFYSA-N 0 1 393.484 3.871 20 5 GHBDMN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)c1nc2ccc(OC)cc2[nH]1 ZINC001138594756 1025077542 /nfs/dbraw/zinc/07/75/42/1025077542.db2.gz AAEGUOKGJHCFFB-HIFRSBDPSA-N 0 1 396.447 3.926 20 5 GHBDMN C[C@@H](c1ccccc1)[C@H](CO)NCc1cccc([N+](=O)[O-])c1Br ZINC000839555576 1026054682 /nfs/dbraw/zinc/05/46/82/1026054682.db2.gz BYRCWQJECYXTBV-WFASDCNBSA-N 0 1 379.254 3.612 20 5 GHBDMN CN(Cc1ccc([N+](=O)[O-])c(F)c1)C[C@H](O)c1cccc(Br)c1 ZINC000839644897 1026158607 /nfs/dbraw/zinc/15/86/07/1026158607.db2.gz YHXCYERPZXYKNB-INIZCTEOSA-N 0 1 383.217 3.662 20 5 GHBDMN CC(C)(C)OC(=O)CC[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000839669037 1026186869 /nfs/dbraw/zinc/18/68/69/1026186869.db2.gz BPBJQXLQEUFSRG-AWEZNQCLSA-N 0 1 393.440 3.837 20 5 GHBDMN Cc1nc([C@@H](C)OC(=O)c2ccc(N[C@H](C)c3ccccn3)c([N+](=O)[O-])c2)n[nH]1 ZINC000840217021 1027352490 /nfs/dbraw/zinc/35/24/90/1027352490.db2.gz AWJWFOXTNJDOCC-VXGBXAGGSA-N 0 1 396.407 3.507 20 5 GHBDMN CC(C)(CNS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)CC(F)F ZINC001213558100 1028265423 /nfs/dbraw/zinc/26/54/23/1028265423.db2.gz QCWHFXAXQKGARY-UHFFFAOYSA-N 0 1 391.223 3.861 20 5 GHBDMN Cc1cc(NC(=O)NC[C@H](c2ccc(Cl)cc2)N(C)C)ccc1[N+](=O)[O-] ZINC001216259310 1029585991 /nfs/dbraw/zinc/58/59/91/1029585991.db2.gz AIUJJBJFELFFPT-QGZVFWFLSA-N 0 1 376.844 3.981 20 5 GHBDMN CN1CCN(c2ccc(-c3noc(-c4ccc(Cl)c([N+](=O)[O-])c4)n3)cc2)CC1 ZINC001216485488 1029659121 /nfs/dbraw/zinc/65/91/21/1029659121.db2.gz KFBOPGZZDOTFRY-UHFFFAOYSA-N 0 1 399.838 3.717 20 5 GHBDMN Cc1cc(C)c([N+](=O)[O-])cc1-c1nc(-c2ccccc2N2CCN(C)CC2)no1 ZINC001216835261 1029954134 /nfs/dbraw/zinc/95/41/34/1029954134.db2.gz FQTFFNOHXLMAAY-UHFFFAOYSA-N 0 1 393.447 3.680 20 5 GHBDMN CCc1ccc(-c2noc(-c3cc([N+](=O)[O-])cc(N4CCN(C)CC4)c3)n2)cc1 ZINC001217019887 1030097816 /nfs/dbraw/zinc/09/78/16/1030097816.db2.gz FDLUUNCTLASKKC-UHFFFAOYSA-N 0 1 393.447 3.626 20 5 GHBDMN O=C(NCCc1cccc(OCc2ccccc2)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC001150975816 1030730075 /nfs/dbraw/zinc/73/00/75/1030730075.db2.gz LXKPGWACTLMBBN-UHFFFAOYSA-N 0 1 392.411 3.852 20 5 GHBDMN N[C@@H](Cc1ccnc2ccccc12)C(=O)Nc1cc2cccnc2c2ncccc12 ZINC001218980072 1031192426 /nfs/dbraw/zinc/19/24/26/1031192426.db2.gz QWDIFEQGWPJAQB-IBGZPJMESA-N 0 1 393.450 3.840 20 5 GHBDMN O=[N+]([O-])c1ccc2ncnc(O[C@@H]3CCN(Cc4ccccc4Cl)C3)c2c1 ZINC001226441728 1031961556 /nfs/dbraw/zinc/96/15/56/1031961556.db2.gz UGZQJYASGKFANB-OAHLLOKOSA-N 0 1 384.823 3.845 20 5 GHBDMN CC(C)c1cc([C@@H]2CCCN(C(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)C2)n[nH]1 ZINC001154176442 1031967955 /nfs/dbraw/zinc/96/79/55/1031967955.db2.gz MMGXUMKYCMITSL-MRXNPFEDSA-N 0 1 395.463 3.802 20 5 GHBDMN COc1c(O)ccc(CNC[C@@H](O)c2ccc(-c3ccccc3)cc2)c1[N+](=O)[O-] ZINC001205245970 1033322677 /nfs/dbraw/zinc/32/26/77/1033322677.db2.gz IIWFKHKGPJPZOJ-HXUWFJFHSA-N 0 1 394.427 3.799 20 5 GHBDMN Cn1ncc2cc(-c3noc(-c4cc(-c5ccc([N+](=O)[O-])cc5)n[nH]4)n3)ccc21 ZINC001213008254 1033570698 /nfs/dbraw/zinc/57/06/98/1033570698.db2.gz AVIPQVFLGVHJEI-UHFFFAOYSA-N 0 1 387.359 3.589 20 5 GHBDMN CC(C)C[C@@H](CNCc1nc2cc([N+](=O)[O-])ccc2o1)C(=O)OC(C)(C)C ZINC001206370348 1033818172 /nfs/dbraw/zinc/81/81/72/1033818172.db2.gz DDVOKHCQQRPGFP-ZDUSSCGKSA-N 0 1 377.441 3.830 20 5 GHBDMN COc1c(O)cc(O[C@H](C[N+](=O)[O-])C2CC2)c2c(=O)cc(-c3ccccc3)oc12 ZINC001229980024 1033829102 /nfs/dbraw/zinc/82/91/02/1033829102.db2.gz MEXCULIFNHPUET-GOSISDBHSA-N 0 1 397.383 3.608 20 5 GHBDMN CC(C)(C)OC(=O)N1CC[C@]2(CC[C@H]2Oc2cc3[nH]ncc3cc2[N+](=O)[O-])C1 ZINC001230596920 1034139710 /nfs/dbraw/zinc/13/97/10/1034139710.db2.gz XAVPKIGWORVRRF-VQIMIIECSA-N 0 1 388.424 3.640 20 5 GHBDMN C[C@@H]1C[C@@H](Oc2cc3[nH]ncc3cc2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C ZINC001230596088 1034139738 /nfs/dbraw/zinc/13/97/38/1034139738.db2.gz PLJUHSIKVXYWQJ-YPMHNXCESA-N 0 1 376.413 3.638 20 5 GHBDMN Cc1nc2cc(F)ccc2cc1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC001160727563 1035045414 /nfs/dbraw/zinc/04/54/14/1035045414.db2.gz RFSQOZQQYVMFEO-UHFFFAOYSA-N 0 1 392.350 3.628 20 5 GHBDMN O=[N+]([O-])c1ccccc1-c1ccc(NC2CCN(Cc3ccncc3)CC2)nn1 ZINC001161105299 1035143766 /nfs/dbraw/zinc/14/37/66/1035143766.db2.gz LFNFBEDNUJBYHG-UHFFFAOYSA-N 0 1 390.447 3.523 20 5 GHBDMN COc1cccc(CN2CC[C@H](Nc3nc(Cl)cc(Cl)c3[N+](=O)[O-])C2)c1 ZINC001161187225 1035170359 /nfs/dbraw/zinc/17/03/59/1035170359.db2.gz ASNSOPOTHSEYTH-LBPRGKRZSA-N 0 1 397.262 3.992 20 5 GHBDMN COCc1c(C)cc(C)c(CN2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1C ZINC001461969539 1069921036 /nfs/dbraw/zinc/92/10/36/1069921036.db2.gz JMMXTVVCSXSUBQ-UHFFFAOYSA-N 0 1 383.492 3.989 20 5 GHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCCC[C@H]1Cc1ccccc1F ZINC001278460467 1037530553 /nfs/dbraw/zinc/53/05/53/1037530553.db2.gz KOMACFSQRHIQQB-AWEZNQCLSA-N 0 1 382.395 3.848 20 5 GHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCCC[C@@H]1Cc1ccccc1F ZINC001278460468 1037531922 /nfs/dbraw/zinc/53/19/22/1037531922.db2.gz KOMACFSQRHIQQB-CQSZACIVSA-N 0 1 382.395 3.848 20 5 GHBDMN C[C@@]1(c2ccccc2)CC[C@@H](N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)C1 ZINC001462275870 1070138178 /nfs/dbraw/zinc/13/81/78/1070138178.db2.gz NESYVBKMQGLGIS-AUSIDOKSSA-N 0 1 393.487 3.863 20 5 GHBDMN O=[N+]([O-])c1cc(Br)c(C(F)(F)F)cc1O[C@H]1CN2CCC1CC2 ZINC001234392152 1039998187 /nfs/dbraw/zinc/99/81/87/1039998187.db2.gz DCOZNGZDLSZTNO-ZDUSSCGKSA-N 0 1 395.175 3.849 20 5 GHBDMN Cc1cc2ccccc2nc1N1CCN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254605963 1040378280 /nfs/dbraw/zinc/37/82/80/1040378280.db2.gz DBIGGFBQAXBNKO-OAQYLSRUSA-N 0 1 388.471 3.741 20 5 GHBDMN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CN1CC2(CN(Cc3ccccc3)C2)C1 ZINC001462500522 1070304612 /nfs/dbraw/zinc/30/46/12/1070304612.db2.gz CAHZIYBKLBUULA-UHFFFAOYSA-N 0 1 391.393 3.931 20 5 GHBDMN Cc1ccc(-c2cc(C(=O)N3CC(Oc4ccc([N+](=O)[O-])cc4)C3)n[nH]2)cc1C ZINC001296444520 1045315799 /nfs/dbraw/zinc/31/57/99/1045315799.db2.gz DORMSBVOADMFCU-UHFFFAOYSA-N 0 1 392.415 3.505 20 5 GHBDMN COc1ccc2nc([C@H](C)NC(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)[nH]c2c1 ZINC001296768972 1045369591 /nfs/dbraw/zinc/36/95/91/1045369591.db2.gz SYSJXEGYYTYHCC-QWRGUYRKSA-N 0 1 386.383 3.600 20 5 GHBDMN CN(C)c1cc(F)c(C(=O)Nc2ccccc2Nc2ccncc2)cc1[N+](=O)[O-] ZINC001297274042 1045490702 /nfs/dbraw/zinc/49/07/02/1045490702.db2.gz QWMRNAFRLDCBQQ-UHFFFAOYSA-N 0 1 395.394 3.613 20 5 GHBDMN Cc1cc([N+](=O)[O-])c(F)c(C(=O)NCc2nc3ccc(Cl)cc3[nH]2)c1F ZINC001298981303 1045993223 /nfs/dbraw/zinc/99/32/23/1045993223.db2.gz YKSVRGUXJYDYRF-UHFFFAOYSA-N 0 1 380.738 3.641 20 5 GHBDMN O=C(c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)N1CCC[C@H]1c1nnc[nH]1 ZINC001301213042 1046407358 /nfs/dbraw/zinc/40/73/58/1046407358.db2.gz KYQLWXVCUIUYPO-KRWDZBQOSA-N 0 1 395.444 3.841 20 5 GHBDMN CSc1ccc(C(=O)N[C@@H]2CCN(Cc3ccc(C)cc3)C2)cc1[N+](=O)[O-] ZINC001302723361 1047066601 /nfs/dbraw/zinc/06/66/01/1047066601.db2.gz NEMHHCSDRHNTAQ-QGZVFWFLSA-N 0 1 385.489 3.629 20 5 GHBDMN COc1cc(C(=O)N2CCC[C@@H](c3cc(C(C)C)[nH]n3)C2)c([N+](=O)[O-])cc1F ZINC001303319493 1047358954 /nfs/dbraw/zinc/35/89/54/1047358954.db2.gz HCUWLRFYKCFGNJ-GFCCVEGCSA-N 0 1 390.415 3.609 20 5 GHBDMN CC(C)Oc1cc(C(=O)N2CCN(CC3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC001264827889 1047468743 /nfs/dbraw/zinc/46/87/43/1047468743.db2.gz SFRVKVVOPNLZQJ-UHFFFAOYSA-N 0 1 389.496 3.720 20 5 GHBDMN CCOC(=O)c1cccc2nc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])[nH]c21 ZINC001463326138 1070988756 /nfs/dbraw/zinc/98/87/56/1070988756.db2.gz XHMFEWKHINLZQD-UHFFFAOYSA-N 0 1 388.767 3.554 20 5 GHBDMN CSc1cc(Cl)c(C(F)(F)F)cc1NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC001287316739 1048713094 /nfs/dbraw/zinc/71/30/94/1048713094.db2.gz FYIRKQVCICPMKQ-UHFFFAOYSA-N 0 1 394.762 3.975 20 5 GHBDMN COC(C)(C)c1nsc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 ZINC001287631941 1048858764 /nfs/dbraw/zinc/85/87/64/1048858764.db2.gz IBXBKGNFEVQUIA-UHFFFAOYSA-N 0 1 390.343 3.599 20 5 GHBDMN CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@@H](c2cc(-c3ccccc3)[nH]n2)C1 ZINC001307198291 1049133781 /nfs/dbraw/zinc/13/37/81/1049133781.db2.gz PHZDACJSOHODDC-MRXNPFEDSA-N 0 1 380.452 3.894 20 5 GHBDMN O=[N+]([O-])c1cc(Br)cnc1N1CCN[C@H](c2ccc(Cl)cc2)C1 ZINC001307234199 1049156804 /nfs/dbraw/zinc/15/68/04/1049156804.db2.gz AMXSRXVEYXNZDN-ZDUSSCGKSA-N 0 1 397.660 3.557 20 5 GHBDMN CC(=O)Nc1cccc(NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)c1C ZINC001290633845 1049891239 /nfs/dbraw/zinc/89/12/39/1049891239.db2.gz XGMTZJRHDLATBS-UHFFFAOYSA-N 0 1 379.376 3.504 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2nc(CNC[C@H](O)Cc3ccc(F)cc3)cs2)c1 ZINC001308523620 1049998313 /nfs/dbraw/zinc/99/83/13/1049998313.db2.gz PLQGPMOMNBDDLH-GOSISDBHSA-N 0 1 387.436 3.551 20 5 GHBDMN CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1CN(C(=O)OC(C)(C)C)CC1(C)C ZINC001308537614 1050002351 /nfs/dbraw/zinc/00/23/51/1050002351.db2.gz WUOMZDUPQKRARY-QGZVFWFLSA-N 0 1 393.484 3.729 20 5 GHBDMN C[C@H](C[C@H](C)NCc1nc2cc([N+](=O)[O-])ccc2o1)NC(=O)OC(C)(C)C ZINC001308837352 1050116154 /nfs/dbraw/zinc/11/61/54/1050116154.db2.gz WQGXWIKVCYWEJQ-NWDGAFQWSA-N 0 1 378.429 3.517 20 5 GHBDMN Cc1ccc(CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c(OC(C)C)c1 ZINC001309288689 1050560266 /nfs/dbraw/zinc/56/02/66/1050560266.db2.gz SRJVZYOBRGECPA-UHFFFAOYSA-N 0 1 398.868 3.822 20 5 GHBDMN CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC001310849113 1051647106 /nfs/dbraw/zinc/64/71/06/1051647106.db2.gz PEIFVYOXQADQEQ-DNVCBOLYSA-N 0 1 382.464 3.942 20 5 GHBDMN O=C(Nc1nc(-c2cccc(Cl)c2)n[nH]1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001318259838 1054530037 /nfs/dbraw/zinc/53/00/37/1054530037.db2.gz NBXGDZZGPUYHKY-UHFFFAOYSA-N 0 1 378.175 3.939 20 5 GHBDMN C[C@H](C(=O)OCc1ccc([N+](=O)[O-])cc1Br)N1[C@H](C)CC[C@H]1C ZINC001320679001 1055925779 /nfs/dbraw/zinc/92/57/79/1055925779.db2.gz ZHRXIKWZVAWRNC-IJLUTSLNSA-N 0 1 385.258 3.662 20 5 GHBDMN Cc1cc(N[C@H]2CCCN(C(=O)c3ccccc3)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC001320867710 1055992814 /nfs/dbraw/zinc/99/28/14/1055992814.db2.gz BMRKELGEXOWMQH-KRWDZBQOSA-N 0 1 390.443 3.590 20 5 GHBDMN O=C1O[C@H](CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CN1C1CC1 ZINC000848578886 1057193020 /nfs/dbraw/zinc/19/30/20/1057193020.db2.gz UTCXDNXKRGDDCA-CQSZACIVSA-N 0 1 391.811 3.581 20 5 GHBDMN CCO[C@@H]1C[C@H](NCc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)[C@@H]1OC ZINC001325791315 1057365564 /nfs/dbraw/zinc/36/55/64/1057365564.db2.gz ZFRDFYHHRNUUJG-QGTPRVQTSA-N 0 1 380.828 3.790 20 5 GHBDMN Cc1cccc(CN2CCCC[C@H]2C(=O)N(C)Cc2ccccc2[N+](=O)[O-])c1 ZINC001338886743 1058857937 /nfs/dbraw/zinc/85/79/37/1058857937.db2.gz IEZPMOJXABTFKV-NRFANRHFSA-N 0 1 381.476 3.916 20 5 GHBDMN CN(C)c1cc(F)c(C(=O)Nc2ccc(Nc3ccncc3)cc2)cc1[N+](=O)[O-] ZINC001452752645 1061001459 /nfs/dbraw/zinc/00/14/59/1061001459.db2.gz ZNTUJLUXKHACQW-UHFFFAOYSA-N 0 1 395.394 3.613 20 5 GHBDMN CC(C)CCSc1ccc(C(=O)N2CC(N3CCCC3)C2)cc1[N+](=O)[O-] ZINC001453117665 1061079727 /nfs/dbraw/zinc/07/97/27/1061079727.db2.gz DRSIAKNGWJINEK-UHFFFAOYSA-N 0 1 377.510 3.653 20 5 GHBDMN C[C@H](NC(=O)Cc1ccc(F)cc1[N+](=O)[O-])c1nc2ccc(Cl)cc2[nH]1 ZINC001454221399 1061657479 /nfs/dbraw/zinc/65/74/79/1061657479.db2.gz POKWLXJMWVRTID-VIFPVBQESA-N 0 1 376.775 3.684 20 5 GHBDMN O=C(C=Cc1ccc([N+](=O)[O-])cc1)N1CCc2nc[nH]c2[C@H]1c1ccc(F)cc1 ZINC001455314102 1062099853 /nfs/dbraw/zinc/09/98/53/1062099853.db2.gz IEEHSNCBIPLUCT-MMISEGOASA-N 0 1 392.390 3.645 20 5 GHBDMN CC(C)CCSc1ccc(C(=O)N[C@@H]2CN3CCC2CC3)cc1[N+](=O)[O-] ZINC001347226943 1062227530 /nfs/dbraw/zinc/22/75/30/1062227530.db2.gz JRHDXNHKYCCMHY-MRXNPFEDSA-N 0 1 377.510 3.557 20 5 GHBDMN COC(=O)c1ccc([N+](=O)[O-])c(CSc2nc(-c3ccccc3F)n[nH]2)c1 ZINC001458753321 1063932520 /nfs/dbraw/zinc/93/25/20/1063932520.db2.gz SMGQPPSGLUEHRS-UHFFFAOYSA-N 0 1 388.380 3.598 20 5 GHBDMN CCO[C@H]1C[C@@H](N(C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1(CC)CC ZINC001459738169 1064193383 /nfs/dbraw/zinc/19/33/83/1064193383.db2.gz AFEBNEJCWFUTPW-MSOLQXFVSA-N 0 1 377.485 3.757 20 5 GHBDMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001467535890 1067346813 /nfs/dbraw/zinc/34/68/13/1067346813.db2.gz VSGWASXDQQLAQT-UHFFFAOYSA-N 0 1 393.447 3.950 20 5 GHBDMN C[C@@H]1[C@@H](C)N(Cc2ccccc2)[C@@H](C)CN1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC001468996805 1067948034 /nfs/dbraw/zinc/94/80/34/1067948034.db2.gz VEDNTLCBNLTIRZ-RCCFBDPRSA-N 0 1 396.491 3.788 20 5 GHBDMN Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2ccc(Nc3ccncc3)cc2)c1 ZINC001469732334 1068345455 /nfs/dbraw/zinc/34/54/55/1068345455.db2.gz HINAVPBXAQYDAL-UHFFFAOYSA-N 0 1 392.415 3.871 20 5 GHBDMN C[C@@H]1[C@@H](C)N(Cc2cc(O)ccc2[N+](=O)[O-])[C@@H](C)CN1C(=O)OC(C)(C)C ZINC001460302488 1068914657 /nfs/dbraw/zinc/91/46/57/1068914657.db2.gz ZKHLBGDWIGSTJI-BFHYXJOUSA-N 0 1 379.457 3.519 20 5 GHBDMN C[C@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC001470781336 1072736847 /nfs/dbraw/zinc/73/68/47/1072736847.db2.gz OPWMIMUYQGAFHV-OXJNMPFZSA-N 0 1 399.516 3.714 20 5 GHBDMN Cc1ccc(CN2CC[C@@H](NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC001471315213 1073014781 /nfs/dbraw/zinc/01/47/81/1073014781.db2.gz ODZUVFFFDHWHPK-LJQANCHMSA-N 0 1 381.476 3.572 20 5 GHBDMN C[C@]1(Cc2cc(F)c(F)c(F)c2)CCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC001471578184 1073144768 /nfs/dbraw/zinc/14/47/68/1073144768.db2.gz QIZPZCFBLIQBEF-LJQANCHMSA-N 0 1 394.349 3.955 20 5 GHBDMN CC1(C)[C@H](C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)[C@H]1c1ccccc1 ZINC001472503799 1073519411 /nfs/dbraw/zinc/51/94/11/1073519411.db2.gz DGAFXMDKZLVWBH-CVEARBPZSA-N 0 1 377.404 3.758 20 5 GHBDMN CC[C@@H](c1ccccc1)N1CCN([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC001473193521 1073846569 /nfs/dbraw/zinc/84/65/69/1073846569.db2.gz VVHLMIWIFRXFKU-XLIONFOSSA-N 0 1 396.491 3.691 20 5 GHBDMN CC(C)OC(=O)C[C@H](NCc1ccc([N+](=O)[O-])cc1Br)C(C)C ZINC001473592087 1074036264 /nfs/dbraw/zinc/03/62/64/1074036264.db2.gz XYHVKIKTGLXRST-HNNXBMFYSA-N 0 1 387.274 3.813 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@H]1[C@H](C)c1ccccc1 ZINC001473818675 1074159165 /nfs/dbraw/zinc/15/91/65/1074159165.db2.gz RXYUSHPLIOQDON-DNVCBOLYSA-N 0 1 383.448 3.810 20 5 GHBDMN C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000833602374 605036253 /nfs/dbraw/zinc/03/62/53/605036253.db2.gz IJVYJNAVFYDXLV-FRRDWIJNSA-N 0 1 381.860 3.788 20 5 GHBDMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000833418888 605553160 /nfs/dbraw/zinc/55/31/60/605553160.db2.gz CBHIZROTOYCRJC-GFCCVEGCSA-N 0 1 385.258 3.680 20 5 GHBDMN O=C([O-])NC[C@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000834224218 605572343 /nfs/dbraw/zinc/57/23/43/605572343.db2.gz HQTDUDRGVRMWAN-LLVKDONJSA-N 0 1 379.800 3.598 20 5 GHBDMN CC(C)N(Cc1ccc(-c2nn[nH]n2)cc1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000820122059 607176368 /nfs/dbraw/zinc/17/63/68/607176368.db2.gz YTYHNFXCGRDPEW-UHFFFAOYSA-N 0 1 386.843 3.839 20 5 GHBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824771528 608465048 /nfs/dbraw/zinc/46/50/48/608465048.db2.gz QXGGTZKTTVIUHA-AWEZNQCLSA-N 0 1 376.420 3.625 20 5 GHBDMN O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1cccc(Cl)c1O ZINC000176564027 837676877 /nfs/dbraw/zinc/67/68/77/837676877.db2.gz ZRXPTGGRLIMYQG-UHFFFAOYSA-N 0 1 385.601 3.898 20 5 GHBDMN Cc1c(Br)cc(C(=O)Nc2ccc3nc[nH]c3c2)cc1[N+](=O)[O-] ZINC000511483496 837690562 /nfs/dbraw/zinc/69/05/62/837690562.db2.gz ODJBAYRXDTWWJL-UHFFFAOYSA-N 0 1 375.182 3.794 20 5 GHBDMN CC[C@H](C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)N(C)Cc1ccccc1 ZINC000581975368 837759873 /nfs/dbraw/zinc/75/98/73/837759873.db2.gz AEJXAIDNETZXSF-OAQYLSRUSA-N 0 1 394.475 3.645 20 5 GHBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000092452071 834671030 /nfs/dbraw/zinc/67/10/30/834671030.db2.gz NZVDBIPKGCBASL-QGZVFWFLSA-N 0 1 393.237 3.636 20 5 GHBDMN C[C@H](CN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H](C)CO)c1ccccc1 ZINC000583582530 834691719 /nfs/dbraw/zinc/69/17/19/834691719.db2.gz PLXAVKPGMUDEGU-CVEARBPZSA-N 0 1 396.447 3.631 20 5 GHBDMN O=[N+]([O-])c1ccccc1OCCN1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000120247290 834982732 /nfs/dbraw/zinc/98/27/32/834982732.db2.gz SMTMDEFSJJLINN-QGZVFWFLSA-N 0 1 379.420 3.596 20 5 GHBDMN COc1ccc(CN2CCC[C@H](OC)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000091772895 835009495 /nfs/dbraw/zinc/00/94/95/835009495.db2.gz ZDEAPEQLONVRSK-IBGZPJMESA-N 0 1 386.448 3.793 20 5 GHBDMN COc1ccc(CN2CCC(N3CCc4cc(F)ccc43)CC2)cc1[N+](=O)[O-] ZINC000583982177 835345628 /nfs/dbraw/zinc/34/56/28/835345628.db2.gz ZBBOGONSYPZDDO-UHFFFAOYSA-N 0 1 385.439 3.770 20 5 GHBDMN Cc1ccc(CN(C)C[C@H](O)COc2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000510192949 836717746 /nfs/dbraw/zinc/71/77/46/836717746.db2.gz MMAACULVWVOLTK-INIZCTEOSA-N 0 1 398.381 3.794 20 5 GHBDMN CC(C)(NC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000431683902 836773091 /nfs/dbraw/zinc/77/30/91/836773091.db2.gz DKNRGDDFALRLKJ-FQEVSTJZSA-N 0 1 396.491 3.794 20 5 GHBDMN CCN(CC)[C@H](CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000175456396 836833524 /nfs/dbraw/zinc/83/35/24/836833524.db2.gz LNYBZFFWOSIEFA-QGZVFWFLSA-N 0 1 388.468 3.805 20 5 GHBDMN CCc1nn(C)c(OC)c1CNCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000180269753 836915176 /nfs/dbraw/zinc/91/51/76/836915176.db2.gz NBKPDFALTUGJHZ-UHFFFAOYSA-N 0 1 386.477 3.918 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2cnc(CCN3CCO[C@H](c4ccccc4)C3)o2)c1 ZINC000170908419 836933260 /nfs/dbraw/zinc/93/32/60/836933260.db2.gz GTFFJLWQLDGEHW-FQEVSTJZSA-N 0 1 379.416 3.866 20 5 GHBDMN CN(C(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)C1CCN(C)CC1 ZINC000275442842 837058800 /nfs/dbraw/zinc/05/88/00/837058800.db2.gz HRTNYAWCPSCONJ-UHFFFAOYSA-N 0 1 385.414 3.538 20 5 GHBDMN CC(C)(COCc1ccccc1)NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000500956886 844298781 /nfs/dbraw/zinc/29/87/81/844298781.db2.gz IWERXEDZOOSCIB-UHFFFAOYSA-N 0 1 391.855 3.772 20 5 GHBDMN CCN(C)[C@H](C(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000610070081 838659220 /nfs/dbraw/zinc/65/92/20/838659220.db2.gz SLIJONUDXHOHEC-FQEVSTJZSA-N 0 1 384.480 3.514 20 5 GHBDMN O=[N+]([O-])c1c(NC2CCN(Cc3ccc(F)cc3)CC2)nc2sccn21 ZINC000052467202 844414910 /nfs/dbraw/zinc/41/49/10/844414910.db2.gz MFEWTSSNILDLOB-UHFFFAOYSA-N 0 1 375.429 3.520 20 5 GHBDMN COc1cc(C)c([C@H](C)N[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1OC ZINC000120175349 839453659 /nfs/dbraw/zinc/45/36/59/839453659.db2.gz CLMBNITWJUYHTE-UONOGXRCSA-N 0 1 387.436 3.598 20 5 GHBDMN Cc1c(CN[C@@](C)(CO)c2ccc(Br)cc2)cccc1[N+](=O)[O-] ZINC000511573743 839518713 /nfs/dbraw/zinc/51/87/13/839518713.db2.gz JBBWTCPXYSMWCS-KRWDZBQOSA-N 0 1 379.254 3.663 20 5 GHBDMN Cc1ccc(C(=O)NC2CCN(C/C=C\c3ccccc3[N+](=O)[O-])CC2)s1 ZINC000255581999 839775263 /nfs/dbraw/zinc/77/52/63/839775263.db2.gz RXKMXVSWXYDGKX-XQRVVYSFSA-N 0 1 385.489 3.872 20 5 GHBDMN Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1NC(=O)C(C)(C)C ZINC000110592128 840245228 /nfs/dbraw/zinc/24/52/28/840245228.db2.gz DMSQDDRFFKBTBE-UHFFFAOYSA-N 0 1 391.449 3.689 20 5 GHBDMN Cc1cscc1CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000487340793 840453966 /nfs/dbraw/zinc/45/39/66/840453966.db2.gz CCHXGYJUGNJLPP-UHFFFAOYSA-N 0 1 381.262 3.750 20 5 GHBDMN O=C(CN[C@H]1CCCCc2ccc([N+](=O)[O-])cc21)N[C@@H]1CCOc2ccccc21 ZINC000417330579 840731865 /nfs/dbraw/zinc/73/18/65/840731865.db2.gz KZZALMMIHNQPCP-VQTJNVASSA-N 0 1 395.459 3.592 20 5 GHBDMN CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OCC)C1 ZINC000512562114 844573043 /nfs/dbraw/zinc/57/30/43/844573043.db2.gz PPZAFCSVNVEKQF-CVEARBPZSA-N 0 1 377.485 3.510 20 5 GHBDMN CCC[C@@H](C)NC(=O)[C@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2OCC)C1 ZINC000512562114 844573051 /nfs/dbraw/zinc/57/30/51/844573051.db2.gz PPZAFCSVNVEKQF-CVEARBPZSA-N 0 1 377.485 3.510 20 5 GHBDMN C[C@@H](SCc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000131098875 861194421 /nfs/dbraw/zinc/19/44/21/861194421.db2.gz OOIGZXLTSGCVOG-VQIMIIECSA-N 0 1 399.516 3.607 20 5 GHBDMN COc1cccc([C@H]2[C@@H](Nc3nc4sccn4c3[N+](=O)[O-])CCN2C2CC2)c1 ZINC000302076125 861198449 /nfs/dbraw/zinc/19/84/49/861198449.db2.gz WGZKNTQSNRRMOG-HOTGVXAUSA-N 0 1 399.476 3.703 20 5 GHBDMN O=C(Nc1cccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1)Nc1cccc2c1CCCC2 ZINC001126057590 841591360 /nfs/dbraw/zinc/59/13/60/841591360.db2.gz YTESXOSFEXLELK-IEBWSBKVSA-N 0 1 394.431 3.813 20 5 GHBDMN C[C@H]1CN(Cc2ccc(CNc3c4c(ccc3[N+](=O)[O-])NCC4)cc2)C[C@H](C)O1 ZINC000302491373 861291470 /nfs/dbraw/zinc/29/14/70/861291470.db2.gz ZDSVRIUPHKWYND-HOTGVXAUSA-N 0 1 396.491 3.784 20 5 GHBDMN O=C(NC[C@H](c1ccco1)N1CCCCC1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000120411646 842375011 /nfs/dbraw/zinc/37/50/11/842375011.db2.gz VSXGWCTWNOLWOI-GOSISDBHSA-N 0 1 394.431 3.693 20 5 GHBDMN C[C@@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])c1cccc(OC(F)(F)F)c1 ZINC000178207205 842490102 /nfs/dbraw/zinc/49/01/02/842490102.db2.gz VOGIBAMXAOIUGK-LLVKDONJSA-N 0 1 383.326 3.783 20 5 GHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCCc2cc(Br)ccc21 ZINC000432467396 842595350 /nfs/dbraw/zinc/59/53/50/842595350.db2.gz YOYLEMKPNOXSEM-UHFFFAOYSA-N 0 1 377.194 3.656 20 5 GHBDMN CCOC(=O)[C@@H]1CC[C@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000125728885 842901942 /nfs/dbraw/zinc/90/19/42/842901942.db2.gz PNHSHYWEVQLLAL-KGLIPLIRSA-N 0 1 375.450 3.540 20 5 GHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCCCC[C@H]1[C@@H]1CCCCC1=O ZINC000610664417 843441953 /nfs/dbraw/zinc/44/19/53/843441953.db2.gz JNBDSRKZRKCSTI-YOEHRIQHSA-N 0 1 384.436 3.615 20 5 GHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCCCC[C@H]1[C@H]1CCCCC1=O ZINC000610664414 843442151 /nfs/dbraw/zinc/44/21/51/843442151.db2.gz JNBDSRKZRKCSTI-PBHICJAKSA-N 0 1 384.436 3.615 20 5 GHBDMN O=C(COc1cccc([N+](=O)[O-])c1)Nc1ccc2nc(-c3ccco3)[nH]c2c1 ZINC000603939520 861422293 /nfs/dbraw/zinc/42/22/93/861422293.db2.gz SVWQNCNBEJCOBC-UHFFFAOYSA-N 0 1 378.344 3.749 20 5 GHBDMN C[C@H](NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)C(=O)NCCF ZINC000500460871 843492442 /nfs/dbraw/zinc/49/24/42/843492442.db2.gz IGSTXHGYJWRZIN-LBPRGKRZSA-N 0 1 395.818 3.604 20 5 GHBDMN CC(C)(CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000429880608 843846422 /nfs/dbraw/zinc/84/64/22/843846422.db2.gz AEMCPAMHMUALJL-UHFFFAOYSA-N 0 1 395.503 3.826 20 5 GHBDMN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc2c1CN(CC(C)C)C2 ZINC000512939176 844008666 /nfs/dbraw/zinc/00/86/66/844008666.db2.gz ARWWTPJAOCSWRR-UHFFFAOYSA-N 0 1 389.477 3.676 20 5 GHBDMN Cc1c([C@@H](C)NCc2ccc(S(C)(=O)=O)c(Cl)c2)cccc1[N+](=O)[O-] ZINC000277151900 844870551 /nfs/dbraw/zinc/87/05/51/844870551.db2.gz QHYKDXPZEHZLFV-GFCCVEGCSA-N 0 1 382.869 3.811 20 5 GHBDMN CCCCOc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)c1 ZINC000468994295 844980280 /nfs/dbraw/zinc/98/02/80/844980280.db2.gz NZIXVABKLLHCPP-UHFFFAOYSA-N 0 1 380.422 3.583 20 5 GHBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000129337856 845299442 /nfs/dbraw/zinc/29/94/42/845299442.db2.gz HRPCJWNHQKDFQK-INIZCTEOSA-N 0 1 379.460 3.957 20 5 GHBDMN CN(C)C(=O)[C@@H](Cc1ccccc1)N[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433177898 845630376 /nfs/dbraw/zinc/63/03/76/845630376.db2.gz RDDAJFJPIRCPEX-UXHICEINSA-N 0 1 381.476 3.606 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N(C)Cc2csc(Br)c2)c1[N+](=O)[O-] ZINC000433992129 845703883 /nfs/dbraw/zinc/70/38/83/845703883.db2.gz YLKVTTWESGFVKC-UHFFFAOYSA-N 0 1 387.259 3.538 20 5 GHBDMN CO[C@H](c1ccccc1Cl)[C@@H](C)NCC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000481525926 861601111 /nfs/dbraw/zinc/60/11/11/861601111.db2.gz DMTBJAXLTPEWGM-YJYMSZOUSA-N 0 1 391.855 3.861 20 5 GHBDMN Cc1ccc(-c2n[nH]c(NC(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)n2)cc1 ZINC000028788994 861601415 /nfs/dbraw/zinc/60/14/15/861601415.db2.gz ASCLRYWQUYCTOC-UHFFFAOYSA-N 0 1 378.392 3.515 20 5 GHBDMN CCCOc1ccc([C@H](C)NCC(=O)Nc2ccccc2[N+](=O)[O-])cc1OC ZINC000539254589 846049069 /nfs/dbraw/zinc/04/90/69/846049069.db2.gz XTPOTYWWZCNKSY-AWEZNQCLSA-N 0 1 387.436 3.682 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2ccc(CN3CC[C@]34CCOC4)o2)c(Br)c1 ZINC000421401179 846194819 /nfs/dbraw/zinc/19/48/19/846194819.db2.gz TTYNCLMYGMHSPB-QGZVFWFLSA-N 0 1 393.237 3.982 20 5 GHBDMN Cc1ccc(-c2n[nH]c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)n2)cc1 ZINC000005865932 846715599 /nfs/dbraw/zinc/71/55/99/846715599.db2.gz HMKYAUUBENLPFP-UHFFFAOYSA-N 0 1 383.433 3.728 20 5 GHBDMN Cc1nc2c(n1[C@H]1CCN(c3ccc([N+](=O)[O-])c4ncccc34)C1)CCCC2 ZINC000413254529 847047573 /nfs/dbraw/zinc/04/75/73/847047573.db2.gz YQHYFHVZDUSEQU-HNNXBMFYSA-N 0 1 377.448 3.978 20 5 GHBDMN C[C@@H]1C[C@@]1(NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccc(Cl)cc1 ZINC000503379462 847654510 /nfs/dbraw/zinc/65/45/10/847654510.db2.gz RAUTXFWUAGUWRJ-XCLFUZPHSA-N 0 1 385.851 3.662 20 5 GHBDMN C[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccccc1OC(F)F ZINC000481598743 861820530 /nfs/dbraw/zinc/82/05/30/861820530.db2.gz OIGSKTJAUYJWOK-SECBINFHSA-N 0 1 376.319 3.564 20 5 GHBDMN Cc1c2ccccc2oc1[C@H](C)NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000183532915 847796448 /nfs/dbraw/zinc/79/64/48/847796448.db2.gz CVVQEGYJPVBMTR-LBPRGKRZSA-N 0 1 397.387 3.667 20 5 GHBDMN Cc1nc2ccc(NC(=O)c3cc(Br)cc([N+](=O)[O-])c3)cc2[nH]1 ZINC000431474754 848080873 /nfs/dbraw/zinc/08/08/73/848080873.db2.gz XNUIRAYXVMCKPB-UHFFFAOYSA-N 0 1 375.182 3.794 20 5 GHBDMN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](c1ccc(F)cc1)N(C)C ZINC000604181538 861902992 /nfs/dbraw/zinc/90/29/92/861902992.db2.gz MYQDYKBSPAGFED-FZKQIMNGSA-N 0 1 391.468 3.634 20 5 GHBDMN CC(C)c1noc(-c2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)n1 ZINC000522511822 861939295 /nfs/dbraw/zinc/93/92/95/861939295.db2.gz NBDCUYWOHIWQGO-UHFFFAOYSA-N 0 1 388.405 3.569 20 5 GHBDMN CCn1c(C)nc([N+](=O)[O-])c1NC[C@H](c1ccccc1OC)N1CCCCC1 ZINC000583105025 849070099 /nfs/dbraw/zinc/07/00/99/849070099.db2.gz DDXQYTCIBJUUEO-QGZVFWFLSA-N 0 1 387.484 3.767 20 5 GHBDMN CN(Cc1cccc(Br)c1)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000504072843 849879659 /nfs/dbraw/zinc/87/96/59/849879659.db2.gz ADSBXWYBPCUQLZ-UHFFFAOYSA-N 0 1 389.209 3.506 20 5 GHBDMN Cc1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)nc2)c([N+](=O)[O-])c1 ZINC000509598731 850095756 /nfs/dbraw/zinc/09/57/56/850095756.db2.gz DTDWPXKZQKTJNP-UHFFFAOYSA-N 0 1 385.401 3.891 20 5 GHBDMN CC[C@@H](N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(OC)c(OC)c1 ZINC000506639087 850231970 /nfs/dbraw/zinc/23/19/70/850231970.db2.gz HFCFPSJXPJKFPT-CXAGYDPISA-N 0 1 387.436 3.680 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2ccc(CN3CCC[C@H](n4ccnn4)C3)o2)c(Cl)c1 ZINC000425357063 850438262 /nfs/dbraw/zinc/43/82/62/850438262.db2.gz XFIPPTXHZDLKHT-AWEZNQCLSA-N 0 1 387.827 3.937 20 5 GHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000506720858 850592382 /nfs/dbraw/zinc/59/23/82/850592382.db2.gz YMVQOFPHFKBRQB-MRXNPFEDSA-N 0 1 396.321 3.533 20 5 GHBDMN CN(C)[C@@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1cccs1 ZINC000027676799 850641052 /nfs/dbraw/zinc/64/10/52/850641052.db2.gz HZBZZJQJZYSLIF-ZDUSSCGKSA-N 0 1 375.475 3.904 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc(C=Cc2ccccc2)n[nH]1 ZINC000515175707 850757513 /nfs/dbraw/zinc/75/75/13/850757513.db2.gz AIFFOQWBMGNIAV-NTMALXAHSA-N 0 1 395.444 3.923 20 5 GHBDMN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C2CCCC2)CC1 ZINC000505742635 851091300 /nfs/dbraw/zinc/09/13/00/851091300.db2.gz VBVFBXPGGWAYHE-UHFFFAOYSA-N 0 1 377.510 3.797 20 5 GHBDMN O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000436271295 851414286 /nfs/dbraw/zinc/41/42/86/851414286.db2.gz DFDHQQNDMTZMLP-UHFFFAOYSA-N 0 1 398.360 3.860 20 5 GHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC[C@](F)(c2cccc(Cl)c2)C1 ZINC000514228596 851428664 /nfs/dbraw/zinc/42/86/64/851428664.db2.gz HIJBYOOIGNBVPM-GOSISDBHSA-N 0 1 388.786 3.835 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1CN(CCO)Cc1cccc(Br)c1 ZINC000488366286 851434662 /nfs/dbraw/zinc/43/46/62/851434662.db2.gz MRCYHOBUPHSDMO-UHFFFAOYSA-N 0 1 379.254 3.660 20 5 GHBDMN COc1ccc([C@@H](C)NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1Br ZINC000505463648 851450818 /nfs/dbraw/zinc/45/08/18/851450818.db2.gz DGKZWIWRZARGKY-SECBINFHSA-N 0 1 395.209 3.563 20 5 GHBDMN C[C@H](CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCC(C)CC1 ZINC000436319931 851458396 /nfs/dbraw/zinc/45/83/96/851458396.db2.gz UEBIWSBSSMIOTC-MRXNPFEDSA-N 0 1 377.488 3.532 20 5 GHBDMN C[C@H](CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000488398834 851469624 /nfs/dbraw/zinc/46/96/24/851469624.db2.gz QRZFNLJNHGQNPC-MRXNPFEDSA-N 0 1 396.491 3.576 20 5 GHBDMN CC[C@@](NCc1cc(O)ccc1[N+](=O)[O-])(C(=O)OC)c1ccc(Cl)cc1 ZINC000550096616 851535451 /nfs/dbraw/zinc/53/54/51/851535451.db2.gz IVIADBZVKGGSJP-SFHVURJKSA-N 0 1 378.812 3.522 20 5 GHBDMN O=C(CN1CCCCCC1)Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000505806477 851548535 /nfs/dbraw/zinc/54/85/35/851548535.db2.gz HTRBHFZTLIIJOW-UHFFFAOYSA-N 0 1 396.447 3.662 20 5 GHBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000425553285 851917399 /nfs/dbraw/zinc/91/73/99/851917399.db2.gz MAIQMUVYKUZNMW-RDTXWAMCSA-N 0 1 398.463 3.987 20 5 GHBDMN Cc1cc(C)c([N+](=O)[O-])cc1NS(=O)(=O)c1cnc2ccc(F)cc2c1 ZINC000436477979 851947896 /nfs/dbraw/zinc/94/78/96/851947896.db2.gz KEHMAQHOAHRVPK-UHFFFAOYSA-N 0 1 375.381 3.700 20 5 GHBDMN COc1ccc(CC(=O)O[C@H](C)c2nc3ccc(Cl)cc3[nH]2)cc1[N+](=O)[O-] ZINC000732521127 862332665 /nfs/dbraw/zinc/33/26/65/862332665.db2.gz LXFCYYAPZZEHGN-SNVBAGLBSA-N 0 1 389.795 3.980 20 5 GHBDMN Cc1ccc2nc([C@H]3CCCN(C(=O)c4cc([O-])cc([N+](=O)[O-])c4)C3)[nH]c2c1 ZINC000506199268 852224091 /nfs/dbraw/zinc/22/40/91/852224091.db2.gz OQBGXALBCYNMIH-ZDUSSCGKSA-N 0 1 380.404 3.505 20 5 GHBDMN Cc1ccc2[nH]c([C@H]3CCCN(C(=O)c4cc(O)cc([N+](=O)[O-])c4)C3)nc2c1 ZINC000506199268 852224102 /nfs/dbraw/zinc/22/41/02/852224102.db2.gz OQBGXALBCYNMIH-ZDUSSCGKSA-N 0 1 380.404 3.505 20 5 GHBDMN Cc1ccc2nc([C@H]3CCCN(C(=O)c4cc(O)cc([N+](=O)[O-])c4)C3)[nH]c2c1 ZINC000506199268 852224113 /nfs/dbraw/zinc/22/41/13/852224113.db2.gz OQBGXALBCYNMIH-ZDUSSCGKSA-N 0 1 380.404 3.505 20 5 GHBDMN C[C@@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(Oc2cccnc2)cc1 ZINC000516210773 852293190 /nfs/dbraw/zinc/29/31/90/852293190.db2.gz YJSJUYFUPVGAMH-CQSZACIVSA-N 0 1 392.415 3.732 20 5 GHBDMN CCc1nc2ccccc2n1C1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000507393609 852857932 /nfs/dbraw/zinc/85/79/32/852857932.db2.gz MRXMRSPXSCNJMC-UHFFFAOYSA-N 0 1 394.431 3.690 20 5 GHBDMN Cc1[nH]c(SCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)nc1Cc1ccccc1 ZINC000029240030 852882549 /nfs/dbraw/zinc/88/25/49/852882549.db2.gz LYTHBUPPIRLEHP-UHFFFAOYSA-N 0 1 396.472 3.972 20 5 GHBDMN CC[C@H](C)c1nc([C@H](C)NC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])n[nH]1 ZINC000490280113 852915148 /nfs/dbraw/zinc/91/51/48/852915148.db2.gz VLYVBQVFDJBKOT-QWRGUYRKSA-N 0 1 395.847 3.526 20 5 GHBDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])n[nH]1 ZINC000490349044 852971759 /nfs/dbraw/zinc/97/17/59/852971759.db2.gz MVXIZQHHYCSXDC-VHSXEESVSA-N 0 1 397.888 3.849 20 5 GHBDMN Cc1ccc([C@@H](CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])N2CCCC2)o1 ZINC000506411666 853007063 /nfs/dbraw/zinc/00/70/63/853007063.db2.gz CMYKOCCIWKBABJ-MRXNPFEDSA-N 0 1 377.828 3.717 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2nc(CNC[C@]3(CO)C[C@H]3c3ccccc3)cs2)c1 ZINC000519610097 853033162 /nfs/dbraw/zinc/03/31/62/853033162.db2.gz HWAARZCCJBYVBC-FPOVZHCZSA-N 0 1 395.484 3.974 20 5 GHBDMN O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CCc2nc[nH]c2[C@H]1c1ccccc1 ZINC000913510888 853422701 /nfs/dbraw/zinc/42/27/01/853422701.db2.gz NBNJTORFZXIJJC-WAOWUJCRSA-N 0 1 388.427 3.596 20 5 GHBDMN CCSCC[C@H](C)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000437697978 853431768 /nfs/dbraw/zinc/43/17/68/853431768.db2.gz VFCHPHZLCBPFQO-QMMMGPOBSA-N 0 1 387.310 3.712 20 5 GHBDMN O=[N+]([O-])c1ccccc1CCS(=O)(=O)Nc1csc(-c2ccccc2)n1 ZINC000586750174 853520367 /nfs/dbraw/zinc/52/03/67/853520367.db2.gz DBQZNEYIRZKELO-UHFFFAOYSA-N 0 1 389.458 3.703 20 5 GHBDMN Cc1cc(NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000571884935 854174066 /nfs/dbraw/zinc/17/40/66/854174066.db2.gz XRMZUSWJRXYOJU-KRWDZBQOSA-N 0 1 383.448 3.578 20 5 GHBDMN COc1ccc(-c2cc(C(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)n[nH]2)cc1 ZINC000163815901 862567662 /nfs/dbraw/zinc/56/76/62/862567662.db2.gz YIFZNXCPNBQAGF-UHFFFAOYSA-N 0 1 392.415 3.798 20 5 GHBDMN CN(CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)Cc1ccc(F)cc1 ZINC000481988737 862583553 /nfs/dbraw/zinc/58/35/53/862583553.db2.gz GIGVQBQHJRYVEA-UHFFFAOYSA-N 0 1 387.436 3.810 20 5 GHBDMN CCOc1ccc([C@@H](C)NCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000589242327 854756882 /nfs/dbraw/zinc/75/68/82/854756882.db2.gz ORDHKNUHKCXICJ-GFCCVEGCSA-N 0 1 377.828 3.936 20 5 GHBDMN COC(=O)COc1ccc(CN[C@H](C)c2cc3ccccc3o2)cc1[N+](=O)[O-] ZINC000473987504 855293489 /nfs/dbraw/zinc/29/34/89/855293489.db2.gz OBBVUTPKRIVMDP-CYBMUJFWSA-N 0 1 384.388 3.744 20 5 GHBDMN CCCc1[nH]nc(C(=O)N2CC(Cc3cccc(C(F)(F)F)c3)C2)c1[N+](=O)[O-] ZINC000590422716 855401580 /nfs/dbraw/zinc/40/15/80/855401580.db2.gz LEZXVRQYLDOUBJ-UHFFFAOYSA-N 0 1 396.369 3.604 20 5 GHBDMN COCC[N@@H+](CC(=O)[O-])Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000591269762 855874639 /nfs/dbraw/zinc/87/46/39/855874639.db2.gz XEINUIYKFGFXCF-UHFFFAOYSA-N 0 1 394.811 3.574 20 5 GHBDMN Cc1c(NC(=O)N[C@H]2CCCc3cn[nH]c32)cc(Br)cc1[N+](=O)[O-] ZINC000280883021 862730297 /nfs/dbraw/zinc/73/02/97/862730297.db2.gz ZQSPNTQJQZFBMQ-NSHDSACASA-N 0 1 394.229 3.588 20 5 GHBDMN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc(Cl)c2N(C)C)c1C ZINC000058190510 856228525 /nfs/dbraw/zinc/22/85/25/856228525.db2.gz MGDRWUNSBLZLNK-UHFFFAOYSA-N 0 1 383.857 3.732 20 5 GHBDMN CCc1[nH]nc(C(=O)N2CCC(c3c[nH]c4cc(F)ccc43)CC2)c1[N+](=O)[O-] ZINC000171873055 856295375 /nfs/dbraw/zinc/29/53/75/856295375.db2.gz KFBFCYBBFNWTLF-UHFFFAOYSA-N 0 1 385.399 3.521 20 5 GHBDMN CN(C)[C@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC000184840721 856455633 /nfs/dbraw/zinc/45/56/33/856455633.db2.gz HMHHXXTZHXPZOG-QGZVFWFLSA-N 0 1 395.381 3.575 20 5 GHBDMN CC[C@@H](C)NC(=O)[C@@H](C)NCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000507929383 856705816 /nfs/dbraw/zinc/70/58/16/856705816.db2.gz HTJVJXNDSXNQGS-HZPDHXFCSA-N 0 1 384.480 3.756 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N2CCC(c3c(F)cccc3F)CC2)c1[N+](=O)[O-] ZINC000485578472 856777414 /nfs/dbraw/zinc/77/74/14/856777414.db2.gz FYUCZBSKGCJWTL-UHFFFAOYSA-N 0 1 378.379 3.739 20 5 GHBDMN C[C@H](N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc2ncsc2c1 ZINC000485844403 857140625 /nfs/dbraw/zinc/14/06/25/857140625.db2.gz KGEVGFWDZAOMPW-YVEFUNNKSA-N 0 1 382.445 3.661 20 5 GHBDMN Cc1ccc(NC(=O)[C@H](c2ccccc2)N(C)C[C@@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC000174148687 857216925 /nfs/dbraw/zinc/21/69/25/857216925.db2.gz DTFVQAOAGXJPJK-UWJYYQICSA-N 0 1 397.475 3.941 20 5 GHBDMN CC[C@H](C)c1nc([C@H](C)NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)n[nH]1 ZINC000486241614 857566357 /nfs/dbraw/zinc/56/63/57/857566357.db2.gz FTILARKBSDSAQE-IUCAKERBSA-N 0 1 398.370 3.711 20 5 GHBDMN CSc1cccc(C(=O)N2CCN(CC3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000486245573 857589958 /nfs/dbraw/zinc/58/99/58/857589958.db2.gz RAJDKLXYCWFYDY-UHFFFAOYSA-N 0 1 377.510 3.655 20 5 GHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000543019881 857891654 /nfs/dbraw/zinc/89/16/54/857891654.db2.gz SUMKDHADGAUHDJ-MRXNPFEDSA-N 0 1 396.321 3.533 20 5 GHBDMN CC(=O)c1ccc(N2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)c([N+](=O)[O-])c1 ZINC000301821103 858006067 /nfs/dbraw/zinc/00/60/67/858006067.db2.gz BIOLUEAXGLVMRX-KRWDZBQOSA-N 0 1 377.404 3.924 20 5 GHBDMN CC(=O)c1ccc(N2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)c([N+](=O)[O-])c1 ZINC000301821103 858006073 /nfs/dbraw/zinc/00/60/73/858006073.db2.gz BIOLUEAXGLVMRX-KRWDZBQOSA-N 0 1 377.404 3.924 20 5 GHBDMN CCc1ccc([C@@H](NCc2n[nH]c([C@@H]3CCCO3)n2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000594507524 858198154 /nfs/dbraw/zinc/19/81/54/858198154.db2.gz GJMJSBHXJQEBHA-HKUYNNGSSA-N 0 1 397.435 3.599 20 5 GHBDMN O=[N+]([O-])c1ccccc1OCCN1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000059374703 858341963 /nfs/dbraw/zinc/34/19/63/858341963.db2.gz GJZMRACBFVTDOG-UHFFFAOYSA-N 0 1 389.883 3.835 20 5 GHBDMN CC(C)(C)c1ccc(Oc2ccc(CN[C@H]3CCNC3=O)cc2[N+](=O)[O-])cc1 ZINC000594961804 858346591 /nfs/dbraw/zinc/34/65/91/858346591.db2.gz IKDQHPFKFZUKSB-KRWDZBQOSA-N 0 1 383.448 3.663 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H](Cc1nccn1C)c1ccccc1 ZINC000595016908 858352143 /nfs/dbraw/zinc/35/21/43/858352143.db2.gz AVAJUYBAKITJEH-KXBFYZLASA-N 0 1 380.448 3.972 20 5 GHBDMN Cc1ccc2nc([C@@H]3CCCN(C(=O)c4cc(F)cc([N+](=O)[O-])c4)C3)[nH]c2c1 ZINC000521843452 858360636 /nfs/dbraw/zinc/36/06/36/858360636.db2.gz QEQIDUQKAXMFDA-CYBMUJFWSA-N 0 1 382.395 3.938 20 5 GHBDMN C[C@H]1CCCN(c2ccc(C(=O)Nc3cc(CN(C)C)ccn3)cc2[N+](=O)[O-])C1 ZINC000482373616 863017855 /nfs/dbraw/zinc/01/78/55/863017855.db2.gz UEYNNIHOBAOITR-HNNXBMFYSA-N 0 1 397.479 3.540 20 5 GHBDMN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H](C)N1CCc2ccccc2C1 ZINC000439121710 858425666 /nfs/dbraw/zinc/42/56/66/858425666.db2.gz ZXKYDSPCSSVXNW-CQSZACIVSA-N 0 1 387.867 3.733 20 5 GHBDMN Cc1ccccc1C[N@H+]1CCCN(c2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])CC1 ZINC000592968773 858458616 /nfs/dbraw/zinc/45/86/16/858458616.db2.gz JKOYUYWBPPRXJF-UHFFFAOYSA-N 0 1 383.448 3.622 20 5 GHBDMN O=C([O-])[C@@H]1C[C@@H](C2CCCCC2)C[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000595279959 858459471 /nfs/dbraw/zinc/45/94/71/858459471.db2.gz MDLZUFLKJOZQCM-APWZRJJASA-N 0 1 376.453 3.719 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 ZINC000522040692 858558792 /nfs/dbraw/zinc/55/87/92/858558792.db2.gz RJMROFDOCDBJKD-KRWDZBQOSA-N 0 1 380.404 3.765 20 5 GHBDMN COc1ccc(CSCC(=O)Nc2nc3ccc(C)cc3[nH]2)cc1[N+](=O)[O-] ZINC000575202870 858602091 /nfs/dbraw/zinc/60/20/91/858602091.db2.gz HMJWLLOFVOQBSB-UHFFFAOYSA-N 0 1 386.433 3.660 20 5 GHBDMN C[C@@H]1CN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCc2ccc(F)cc21 ZINC000593117540 858660565 /nfs/dbraw/zinc/66/05/65/858660565.db2.gz ZKFBQGRXBMWVMV-CYBMUJFWSA-N 0 1 382.395 3.946 20 5 GHBDMN Cc1ccc(Cl)c(OC[C@@H](O)CNC(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC000429258329 858841039 /nfs/dbraw/zinc/84/10/39/858841039.db2.gz UKOKZQVLKVNFOQ-AWEZNQCLSA-N 0 1 378.856 3.821 20 5 GHBDMN Cc1c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cccc1OCC(F)(F)F ZINC000068078391 858876835 /nfs/dbraw/zinc/87/68/35/858876835.db2.gz YLRDAHXCMMNQSY-UHFFFAOYSA-N 0 1 390.339 3.645 20 5 GHBDMN C[C@H](NCC(=O)NCC(F)(F)F)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000160519118 858977168 /nfs/dbraw/zinc/97/71/68/858977168.db2.gz RKSWPLNXHYLHKZ-JTQLQIEISA-N 0 1 387.383 3.652 20 5 GHBDMN O=C(NC[C@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1)Nc1cccc(F)c1 ZINC000068824375 859214546 /nfs/dbraw/zinc/21/45/46/859214546.db2.gz JKXVNVBTLXBSAI-MRXNPFEDSA-N 0 1 386.427 3.768 20 5 GHBDMN Cc1cccc(F)c1NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000160803578 859223256 /nfs/dbraw/zinc/22/32/56/859223256.db2.gz COAHWJWHEKJFKN-UHFFFAOYSA-N 0 1 389.202 3.606 20 5 GHBDMN COc1ccc(NC(=O)[C@@H](C)Sc2nc3ccc(C)cc3[nH]2)c([N+](=O)[O-])c1 ZINC000007060832 859469763 /nfs/dbraw/zinc/46/97/63/859469763.db2.gz PADAHZWKUMUKNE-LLVKDONJSA-N 0 1 386.433 3.907 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2nc(CN3C[C@@H]4CN(c5ccccc5)C[C@H]4C3)co2)cc1 ZINC000611170533 859633344 /nfs/dbraw/zinc/63/33/44/859633344.db2.gz WRTNMMIIMXDUDJ-QZTJIDSGSA-N 0 1 390.443 3.818 20 5 GHBDMN O=C(NCCN1CCCCC1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000611200726 859648297 /nfs/dbraw/zinc/64/82/97/859648297.db2.gz KPVBFRHSSJSEHD-UHFFFAOYSA-N 0 1 377.510 3.845 20 5 GHBDMN CCc1nc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)n[nH]1 ZINC000611216720 859652831 /nfs/dbraw/zinc/65/28/31/859652831.db2.gz BAQVUSUWTWRUEG-LLVKDONJSA-N 0 1 389.481 3.801 20 5 GHBDMN Cc1nn(CN2CCCN(c3ccc(C)cc3)CC2)c2ccc([N+](=O)[O-])cc12 ZINC000764909109 859663499 /nfs/dbraw/zinc/66/34/99/859663499.db2.gz HKPDLOAWHZQHMY-UHFFFAOYSA-N 0 1 379.464 3.731 20 5 GHBDMN COc1ccc(CN2CCCOC[C@H]2C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000611272428 859676107 /nfs/dbraw/zinc/67/61/07/859676107.db2.gz LUTNUTKKLFONLH-MRXNPFEDSA-N 0 1 386.448 3.793 20 5 GHBDMN CCOc1cc(NC(=O)c2cc(-c3ccccn3)no2)c([N+](=O)[O-])cc1OCC ZINC000474259885 859717048 /nfs/dbraw/zinc/71/70/48/859717048.db2.gz PKOILPDURKWLEO-UHFFFAOYSA-N 0 1 398.375 3.695 20 5 GHBDMN CNC(=O)c1ccc(CN(C)Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000121159601 859806521 /nfs/dbraw/zinc/80/65/21/859806521.db2.gz YAKHTDGZCOVVOK-UHFFFAOYSA-N 0 1 379.416 3.846 20 5 GHBDMN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CN1CCC(c2nnc3n2CCC3)CC1 ZINC000602445280 860035690 /nfs/dbraw/zinc/03/56/90/860035690.db2.gz OFTTYXPDCBLKJS-UHFFFAOYSA-N 0 1 395.385 3.531 20 5 GHBDMN O=C(Nc1ccccc1)NC1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000092480285 860060358 /nfs/dbraw/zinc/06/03/58/860060358.db2.gz GUSOZQBAUUGCPD-SOFGYWHQSA-N 0 1 380.448 3.894 20 5 GHBDMN COC(=O)c1cc(C(C)C)ccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000060839393 860174617 /nfs/dbraw/zinc/17/46/17/860174617.db2.gz VQPZCJXYPYRDEM-UHFFFAOYSA-N 0 1 392.433 3.614 20 5 GHBDMN COc1ccc([C@@H](Cc2ccc(F)cc2)NCc2cn(C)nc2[N+](=O)[O-])cc1 ZINC000602798420 860283306 /nfs/dbraw/zinc/28/33/06/860283306.db2.gz CDBGJXGFFHWUBT-LJQANCHMSA-N 0 1 384.411 3.550 20 5 GHBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@H](c2cccnc2)C1 ZINC000602852688 860314438 /nfs/dbraw/zinc/31/44/38/860314438.db2.gz GBNXWWMCTGBHBE-YOEHRIQHSA-N 0 1 379.420 3.980 20 5 GHBDMN CC(C)c1nnc(-c2ccccc2NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)[nH]1 ZINC000063656463 860384384 /nfs/dbraw/zinc/38/43/84/860384384.db2.gz UXMWXRKBNLXKJH-UHFFFAOYSA-N 0 1 399.382 3.660 20 5 GHBDMN Cc1ccc(NC(=O)[C@@H](c2ccccc2)N(C)CC2CCOCC2)c([N+](=O)[O-])c1 ZINC000156103096 860682854 /nfs/dbraw/zinc/68/28/54/860682854.db2.gz JPSDBMYLAHWBJJ-OAQYLSRUSA-N 0 1 397.475 3.941 20 5 GHBDMN O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000603730244 861099089 /nfs/dbraw/zinc/09/90/89/861099089.db2.gz COHQBWONRMKWSU-SFHVURJKSA-N 0 1 379.416 3.908 20 5 GHBDMN CCO[C@@H]1C[C@@H](NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)[C@@H]1OC ZINC000482519168 863251831 /nfs/dbraw/zinc/25/18/31/863251831.db2.gz PEEOSNMQZUPZER-AHRSYUTCSA-N 0 1 390.411 3.808 20 5 GHBDMN O=[N+]([O-])c1ccc(CN2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)c([N+](=O)[O-])c1 ZINC000792871499 881740364 /nfs/dbraw/zinc/74/03/64/881740364.db2.gz LUSXDOYXBZJPGS-INIZCTEOSA-N 0 1 394.391 3.625 20 5 GHBDMN O=[N+]([O-])c1ccc(CN2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)c([N+](=O)[O-])c1 ZINC000792871499 881740373 /nfs/dbraw/zinc/74/03/73/881740373.db2.gz LUSXDOYXBZJPGS-INIZCTEOSA-N 0 1 394.391 3.625 20 5 GHBDMN C[C@H](N[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1nccn1-c1ccccc1 ZINC000554374569 864233031 /nfs/dbraw/zinc/23/30/31/864233031.db2.gz YUEDISHQHYQFCB-RYQLBKOJSA-N 0 1 380.452 3.812 20 5 GHBDMN O=C(OCCc1c[nH]nn1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000735298387 864715555 /nfs/dbraw/zinc/71/55/55/864715555.db2.gz GLKKUFYNENTLNZ-UHFFFAOYSA-N 0 1 388.767 3.558 20 5 GHBDMN O=C(OCCc1cnn[nH]1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000735298387 864715559 /nfs/dbraw/zinc/71/55/59/864715559.db2.gz GLKKUFYNENTLNZ-UHFFFAOYSA-N 0 1 388.767 3.558 20 5 GHBDMN O=C(Nc1ccc([N+](=O)[O-])cc1F)c1ccc(CN2CCSCC2)cc1 ZINC000608870556 865769741 /nfs/dbraw/zinc/76/97/41/865769741.db2.gz HLDUGDVULZYCNV-UHFFFAOYSA-N 0 1 375.425 3.535 20 5 GHBDMN Cc1cc([C@](C)(O)CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)c(C)o1 ZINC000174441149 865821657 /nfs/dbraw/zinc/82/16/57/865821657.db2.gz XSOFWXKAZXHLQJ-LJQANCHMSA-N 0 1 387.461 3.925 20 5 GHBDMN Cc1ccc(F)c(NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])c1 ZINC000609027023 865905006 /nfs/dbraw/zinc/90/50/06/865905006.db2.gz CVGIMMLPOOOQBG-UHFFFAOYSA-N 0 1 389.202 3.606 20 5 GHBDMN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000740803645 866016093 /nfs/dbraw/zinc/01/60/93/866016093.db2.gz WADRIMQCZDENSV-AWEZNQCLSA-N 0 1 389.402 3.610 20 5 GHBDMN CCN(CC)[C@H](CNc1cccc(C(N)=O)c1[N+](=O)[O-])c1ccccc1Cl ZINC000552912463 866446079 /nfs/dbraw/zinc/44/60/79/866446079.db2.gz QKDBQRSUWKKLIO-QGZVFWFLSA-N 0 1 390.871 3.842 20 5 GHBDMN C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000456352613 866474462 /nfs/dbraw/zinc/47/44/62/866474462.db2.gz YITVVOXRVRYHCV-MRXNPFEDSA-N 0 1 393.443 3.935 20 5 GHBDMN O=[N+]([O-])c1cn(CN2CC[C@@H](c3ccc(Cl)cc3)C2)nc1-c1ccncc1 ZINC000742147909 867081103 /nfs/dbraw/zinc/08/11/03/867081103.db2.gz PLQOVQFKLSWXTB-MRXNPFEDSA-N 0 1 383.839 3.954 20 5 GHBDMN Cc1nc([C@H](C)NC(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)n[nH]1 ZINC000553295023 867115240 /nfs/dbraw/zinc/11/52/40/867115240.db2.gz BTXVSHUWHICOMP-NSHDSACASA-N 0 1 377.470 3.651 20 5 GHBDMN Cc1ccc(S(=O)(=O)N[C@H](c2ccc(F)cc2)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000479136448 867203496 /nfs/dbraw/zinc/20/34/96/867203496.db2.gz UXBIZVAOVIJNBY-CQSZACIVSA-N 0 1 392.330 3.624 20 5 GHBDMN CC(C)Oc1nc(N2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)ccc1[N+](=O)[O-] ZINC000594569988 867269016 /nfs/dbraw/zinc/26/90/16/867269016.db2.gz ZSFUHXOOPKNHJQ-OAHLLOKOSA-N 0 1 394.435 3.904 20 5 GHBDMN CC(C)Oc1nc(N2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)ccc1[N+](=O)[O-] ZINC000594569988 867269032 /nfs/dbraw/zinc/26/90/32/867269032.db2.gz ZSFUHXOOPKNHJQ-OAHLLOKOSA-N 0 1 394.435 3.904 20 5 GHBDMN CN(CCN1CCN(c2ccccc2)CC1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000523450376 867333814 /nfs/dbraw/zinc/33/38/14/867333814.db2.gz SYQFYYNVLVWGCO-UHFFFAOYSA-N 0 1 388.899 3.502 20 5 GHBDMN Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cc1OCC(F)F ZINC000524159963 868631059 /nfs/dbraw/zinc/63/10/59/868631059.db2.gz CAHPWQSGYDZAJJ-UHFFFAOYSA-N 0 1 386.376 3.656 20 5 GHBDMN CCn1nc(C)c([N+](=O)[O-])c1N1CCN(Cc2cccc3ccccc32)CC1 ZINC000479899175 868667704 /nfs/dbraw/zinc/66/77/04/868667704.db2.gz DWIJKICNNUTTFK-UHFFFAOYSA-N 0 1 379.464 3.595 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(Cc2noc(-c3cc(-c4ccc(F)cc4)n[nH]3)n2)c1 ZINC000445578586 868696877 /nfs/dbraw/zinc/69/68/77/868696877.db2.gz CSSIPJPHRORGCX-UHFFFAOYSA-N 0 1 395.350 3.773 20 5 GHBDMN CCOc1cc([N+](=O)[O-])c(C(=O)Nc2c(F)cc(C(C)=O)cc2F)cc1OC ZINC000539642854 869498734 /nfs/dbraw/zinc/49/87/34/869498734.db2.gz DNXSKALOUUPVKS-UHFFFAOYSA-N 0 1 394.330 3.735 20 5 GHBDMN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000462756613 870036068 /nfs/dbraw/zinc/03/60/68/870036068.db2.gz UVVKIZHSXGPRIH-JXFKEZNVSA-N 0 1 387.455 3.722 20 5 GHBDMN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000446648649 870172300 /nfs/dbraw/zinc/17/23/00/870172300.db2.gz MWARMQDABZSHSG-LLVKDONJSA-N 0 1 394.859 3.695 20 5 GHBDMN CC(C)(CNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)c1ccccc1 ZINC001192286548 870266537 /nfs/dbraw/zinc/26/65/37/870266537.db2.gz RMZPXUAMNGESHS-UHFFFAOYSA-N 0 1 386.832 3.643 20 5 GHBDMN O=[N+]([O-])c1cccc([C@H](NC[C@H](O)COc2ccccc2)c2ccccc2)c1 ZINC000538716144 870402323 /nfs/dbraw/zinc/40/23/23/870402323.db2.gz BVGPPKHOHHRFEF-RBBKRZOGSA-N 0 1 378.428 3.714 20 5 GHBDMN Cc1ccc([C@@H](CNC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)N2CCCC2)o1 ZINC000538744826 870550299 /nfs/dbraw/zinc/55/02/99/870550299.db2.gz UPOWBDWHQMCGTC-QGZVFWFLSA-N 0 1 385.464 3.988 20 5 GHBDMN Cc1cc(N2CCC(N3CCO[C@@H](C)C3)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461775425 870921987 /nfs/dbraw/zinc/92/19/87/870921987.db2.gz JEOXCHRTDLDFBR-ZDUSSCGKSA-N 0 1 387.402 3.612 20 5 GHBDMN CCCOc1cccc(CNC(=O)CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000181842502 871535350 /nfs/dbraw/zinc/53/53/50/871535350.db2.gz BPRFZTDUCDCIIL-MRXNPFEDSA-N 0 1 385.464 3.659 20 5 GHBDMN COc1ccc([C@@H](NC(=O)CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C2CC2)cc1 ZINC000181841156 871537177 /nfs/dbraw/zinc/53/71/77/871537177.db2.gz ZZIMFFBYRZHWBE-NYHFZMIOSA-N 0 1 397.475 3.830 20 5 GHBDMN Cc1ccc([C@@H](C)NCC(=O)N(Cc2ccco2)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000181839998 871537236 /nfs/dbraw/zinc/53/72/36/871537236.db2.gz UUDMMJBBXWMFER-CYBMUJFWSA-N 0 1 399.369 3.738 20 5 GHBDMN CSc1cccc(C(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@H]2C)c1[N+](=O)[O-] ZINC001169537856 871615396 /nfs/dbraw/zinc/61/53/96/871615396.db2.gz BYPHSTVFUIEOMT-CRAIPNDOSA-N 0 1 399.516 3.957 20 5 GHBDMN Cc1ccc([C@H](C)NCC(=O)NCc2ccc(COC(C)C)cc2)cc1[N+](=O)[O-] ZINC000539378495 871859803 /nfs/dbraw/zinc/85/98/03/871859803.db2.gz CSJIIZJMABJPPJ-KRWDZBQOSA-N 0 1 399.491 3.795 20 5 GHBDMN CC(C)[C@@H]1C[C@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000447591144 871900240 /nfs/dbraw/zinc/90/02/40/871900240.db2.gz BYGMILSYWOTLLX-PMACEKPBSA-N 0 1 388.489 3.843 20 5 GHBDMN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2NCc2nnc(-c3ccccc3)s2)n1 ZINC000447580845 871928278 /nfs/dbraw/zinc/92/82/78/871928278.db2.gz QLHPTYBBFPGVSD-HUUCEWRRSA-N 0 1 384.465 3.583 20 5 GHBDMN CC(C)(C)C[C@H]1CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC001195064509 872144040 /nfs/dbraw/zinc/14/40/40/872144040.db2.gz HTFREJAZXWQVHO-OAHLLOKOSA-N 0 1 382.526 3.905 20 5 GHBDMN C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](Oc2cncc(Br)c2)C1 ZINC001195575165 872480228 /nfs/dbraw/zinc/48/02/28/872480228.db2.gz ALLZAEOINQRZJA-TZMCWYRMSA-N 0 1 392.253 3.967 20 5 GHBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H](Oc2cncc(Br)c2)C1 ZINC001195575165 872480232 /nfs/dbraw/zinc/48/02/32/872480232.db2.gz ALLZAEOINQRZJA-TZMCWYRMSA-N 0 1 392.253 3.967 20 5 GHBDMN Cc1ccc(Sc2ccc(CN[C@H](CO)[C@@H]3CCCO3)cc2[N+](=O)[O-])cc1 ZINC000447968740 872580738 /nfs/dbraw/zinc/58/07/38/872580738.db2.gz RPMXDHCSIKERER-MJGOQNOKSA-N 0 1 388.489 3.684 20 5 GHBDMN Cc1cc(C)c([N+](=O)[O-])c(NCc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)n1 ZINC000541004981 872729852 /nfs/dbraw/zinc/72/98/52/872729852.db2.gz YFXLMVUEWDFZJJ-CALCHBBNSA-N 0 1 384.480 3.828 20 5 GHBDMN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCc2nc3ccc(Cl)cc3[nH]2)c1 ZINC000619583309 872770177 /nfs/dbraw/zinc/77/01/77/872770177.db2.gz CPSYSUGBRPAFRU-UHFFFAOYSA-N 0 1 388.811 3.518 20 5 GHBDMN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(F)cc1C(F)(F)F ZINC000152974990 873031183 /nfs/dbraw/zinc/03/11/83/873031183.db2.gz VWQUMLGNNPWRRP-UHFFFAOYSA-N 0 1 378.303 3.862 20 5 GHBDMN CCC[C@H](Nc1cccc(CN2CCC[C@@H]2C(N)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000183000733 873070245 /nfs/dbraw/zinc/07/02/45/873070245.db2.gz CHHRIEIGCYCGNB-LEWJYISDSA-N 0 1 396.491 3.998 20 5 GHBDMN COc1ccc(NC(=O)CN[C@@H](C)c2cc3cccc(F)c3o2)c([N+](=O)[O-])c1 ZINC000475715724 882696553 /nfs/dbraw/zinc/69/65/53/882696553.db2.gz NIEVZMYBLCUTSB-NSHDSACASA-N 0 1 387.367 3.778 20 5 GHBDMN CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000768243330 873204612 /nfs/dbraw/zinc/20/46/12/873204612.db2.gz KSEYYRGENNZICL-CQSZACIVSA-N 0 1 387.436 3.954 20 5 GHBDMN CC(C)(C)OC(=O)N[C@@H]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000768243330 873204624 /nfs/dbraw/zinc/20/46/24/873204624.db2.gz KSEYYRGENNZICL-CQSZACIVSA-N 0 1 387.436 3.954 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)ccc1CN[C@@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC001197285428 873713032 /nfs/dbraw/zinc/71/30/32/873713032.db2.gz QDGFPENEWUIJKQ-GOEBONIOSA-N 0 1 388.773 3.872 20 5 GHBDMN CCOc1cc(CN2CCN(Cc3ccc(CC)cc3)CC2)ccc1[N+](=O)[O-] ZINC001197347713 873725589 /nfs/dbraw/zinc/72/55/89/873725589.db2.gz BTHVBFRZVCMRNW-UHFFFAOYSA-N 0 1 383.492 3.874 20 5 GHBDMN CN(CCOC(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)Cc1ccc(F)cc1 ZINC000769131751 873831559 /nfs/dbraw/zinc/83/15/59/873831559.db2.gz DENCUQWJUBTVGF-UHFFFAOYSA-N 0 1 384.766 3.815 20 5 GHBDMN CCSc1nnc(NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])s1 ZINC000448759367 873894771 /nfs/dbraw/zinc/89/47/71/873894771.db2.gz IDUFXGDILJJDIC-UHFFFAOYSA-N 0 1 378.357 3.829 20 5 GHBDMN C[C@@H]1CN(C/C=C\c2ccccc2[N+](=O)[O-])CC[C@H]1NC(=O)OC(C)(C)C ZINC000769421426 874038125 /nfs/dbraw/zinc/03/81/25/874038125.db2.gz BSBKJWIVXCJFGI-ZKVFWIFDSA-N 0 1 375.469 3.843 20 5 GHBDMN CS(=O)(=O)c1cccc(Cl)c1CNCCCCc1ccc([N+](=O)[O-])cc1 ZINC000541793425 874284517 /nfs/dbraw/zinc/28/45/17/874284517.db2.gz ZDYPIJMDEYAMOJ-UHFFFAOYSA-N 0 1 396.896 3.764 20 5 GHBDMN O=C(CCN1CC[C@@H](Oc2ccccc2Cl)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000443660735 874764772 /nfs/dbraw/zinc/76/47/72/874764772.db2.gz RHTZEQSBALSWQD-MRXNPFEDSA-N 0 1 389.839 3.730 20 5 GHBDMN O=[N+]([O-])c1ccccc1-c1ccc(CNCc2ccc(-n3ccnc3)nc2)o1 ZINC001199135915 874816150 /nfs/dbraw/zinc/81/61/50/874816150.db2.gz BPEVUVOWQDPJSJ-UHFFFAOYSA-N 0 1 375.388 3.725 20 5 GHBDMN C[C@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1cccc(Cl)c1Cl ZINC000542260053 875267910 /nfs/dbraw/zinc/26/79/10/875267910.db2.gz VKYFGNOPVPLSMD-NWDGAFQWSA-N 0 1 385.247 3.992 20 5 GHBDMN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N(C[C@H]1CCCO1)C1CCCC1 ZINC000450009831 875813024 /nfs/dbraw/zinc/81/30/24/875813024.db2.gz HWRRDXWCYWCLPQ-QGZVFWFLSA-N 0 1 384.436 3.549 20 5 GHBDMN Cc1ccc(C(=O)C2CCN(C[C@H](O)c3ccc([N+](=O)[O-])cc3)CC2)c(C)c1 ZINC000776279683 876165843 /nfs/dbraw/zinc/16/58/43/876165843.db2.gz YNKMSOUPKGBZRH-NRFANRHFSA-N 0 1 382.460 3.840 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000850427840 876911606 /nfs/dbraw/zinc/91/16/06/876911606.db2.gz DVHRRHVKJFUGBT-UONOGXRCSA-N 0 1 385.420 3.972 20 5 GHBDMN Cc1ccc(S(=O)(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c(Br)c1 ZINC000195651232 877215608 /nfs/dbraw/zinc/21/56/08/877215608.db2.gz SCTPEBFOWDWRFA-UHFFFAOYSA-N 0 1 385.239 3.775 20 5 GHBDMN CCN(CC)C(=O)[C@@H](NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000477224425 877236175 /nfs/dbraw/zinc/23/61/75/877236175.db2.gz SMLKWGVKFNMEEN-IBGZPJMESA-N 0 1 389.883 3.990 20 5 GHBDMN CN(C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc(Cl)cc1 ZINC000746693148 877494211 /nfs/dbraw/zinc/49/42/11/877494211.db2.gz BRXHCVHUMCMBBT-INIZCTEOSA-N 0 1 382.247 3.934 20 5 GHBDMN O=C(CN1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000451546369 878119438 /nfs/dbraw/zinc/11/94/38/878119438.db2.gz JDGQMQCIDSPGAZ-HZPDHXFCSA-N 0 1 399.413 3.575 20 5 GHBDMN O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000551991135 878120945 /nfs/dbraw/zinc/12/09/45/878120945.db2.gz KVJCKKMUPLBESY-GOSISDBHSA-N 0 1 389.839 3.521 20 5 GHBDMN O=[N+]([O-])c1cc(NS(=O)(=O)c2ccc(Cl)c(F)c2Cl)ccc1F ZINC000788736137 878310791 /nfs/dbraw/zinc/31/07/91/878310791.db2.gz OCGLVRMHAATDMJ-UHFFFAOYSA-N 0 1 383.159 3.981 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@@H](C)c1ccc2c(c1)CCCO2 ZINC000852779696 878594501 /nfs/dbraw/zinc/59/45/01/878594501.db2.gz BVUQCOKCEAETHE-UONOGXRCSA-N 0 1 399.447 3.606 20 5 GHBDMN COc1cc(C(=O)N2CCCN(Cc3ccccc3C)CC2)cc([N+](=O)[O-])c1C ZINC000616228448 878675156 /nfs/dbraw/zinc/67/51/56/878675156.db2.gz ZUWLUPDSIWHUAP-UHFFFAOYSA-N 0 1 397.475 3.568 20 5 GHBDMN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc2[nH]c(-c3ccco3)nc2c1 ZINC000530887806 878729883 /nfs/dbraw/zinc/72/98/83/878729883.db2.gz GAOGOZNGBDTSFK-UHFFFAOYSA-N 0 1 398.400 3.840 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@H](C)c1c(F)cccc1F ZINC000538127911 878902600 /nfs/dbraw/zinc/90/26/00/878902600.db2.gz AGPDCMONAHFBAT-LLVKDONJSA-N 0 1 379.363 3.561 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)Cc1cc(F)c(F)c(F)c1 ZINC000180500619 878964793 /nfs/dbraw/zinc/96/47/93/878964793.db2.gz YBSDYQDITMHNAY-UHFFFAOYSA-N 0 1 381.354 3.781 20 5 GHBDMN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000452169565 879074137 /nfs/dbraw/zinc/07/41/37/879074137.db2.gz GJVHGXYYTDDWKF-AWEZNQCLSA-N 0 1 377.510 3.653 20 5 GHBDMN Cc1ccc([C@H](C)NCC(=O)NCc2ccccc2COC(C)C)cc1[N+](=O)[O-] ZINC000538279218 879172058 /nfs/dbraw/zinc/17/20/58/879172058.db2.gz GDJSIKODVPIZIC-KRWDZBQOSA-N 0 1 399.491 3.795 20 5 GHBDMN O=C1[C@@H](NCc2ccc([N+](=O)[O-])c(Cl)c2)CCCN1c1ccccc1F ZINC000761526956 879234538 /nfs/dbraw/zinc/23/45/38/879234538.db2.gz KWGJOLNAYNDLMF-HNNXBMFYSA-N 0 1 377.803 3.673 20 5 GHBDMN O=C1[C@@H](NCc2ccc([N+](=O)[O-])c(Cl)c2)CCN1c1ccc(Cl)cc1 ZINC000761528102 879234691 /nfs/dbraw/zinc/23/46/91/879234691.db2.gz ZFTQWRBAAPJCGY-HNNXBMFYSA-N 0 1 380.231 3.797 20 5 GHBDMN O=[N+]([O-])c1ccc(CSc2nc(-c3cc(F)cc(F)c3)n[nH]2)c([N+](=O)[O-])c1 ZINC000789922665 879334962 /nfs/dbraw/zinc/33/49/62/879334962.db2.gz SPZGQSSMQBGWLS-UHFFFAOYSA-N 0 1 393.331 3.859 20 5 GHBDMN C[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(-n2cccn2)cc1 ZINC000180816605 879373124 /nfs/dbraw/zinc/37/31/24/879373124.db2.gz FSIMBUMPYPCFJI-ZDUSSCGKSA-N 0 1 399.838 3.723 20 5 GHBDMN O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccc(OC(F)F)c(F)c2)cc1Cl ZINC000790484590 879757559 /nfs/dbraw/zinc/75/75/59/879757559.db2.gz RJDWLAKJWQDKRH-UHFFFAOYSA-N 0 1 396.730 3.790 20 5 GHBDMN CCOc1ccc(C2=CCN(C[C@@H](O)COc3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000509486224 880852843 /nfs/dbraw/zinc/85/28/43/880852843.db2.gz XCXXEWQTQWAWHE-HXUWFJFHSA-N 0 1 398.459 3.523 20 5 GHBDMN O=C(c1ccc(Cl)cc1)N1CCCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000064481581 881140973 /nfs/dbraw/zinc/14/09/73/881140973.db2.gz NLVCEXVEGLCSLP-UHFFFAOYSA-N 0 1 387.867 3.639 20 5 GHBDMN CCOc1ccc(CCC2CCN(C(=O)c3n[nH]c(C)c3[N+](=O)[O-])CC2)cc1 ZINC000064335633 883160217 /nfs/dbraw/zinc/16/02/17/883160217.db2.gz CGVIZKZWAZAKTK-UHFFFAOYSA-N 0 1 386.452 3.510 20 5 GHBDMN CCCc1[nH]nc(C(=O)N2CCC(c3ccc(F)c(F)c3)CC2)c1[N+](=O)[O-] ZINC000609477858 883241566 /nfs/dbraw/zinc/24/15/66/883241566.db2.gz IBVICBJBLURXTE-UHFFFAOYSA-N 0 1 378.379 3.568 20 5 GHBDMN O=C(N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000476855978 883282839 /nfs/dbraw/zinc/28/28/39/883282839.db2.gz UGJIEFATGYMUFQ-GFCCVEGCSA-N 0 1 396.230 3.616 20 5 GHBDMN Cc1nc(-c2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2)oc1C ZINC000609661371 883500512 /nfs/dbraw/zinc/50/05/12/883500512.db2.gz GYSFEQUWOCERGY-UHFFFAOYSA-N 0 1 387.417 3.976 20 5 GHBDMN CC(C)(CNC(=O)c1cccc(Cl)c1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000175389140 883707646 /nfs/dbraw/zinc/70/76/46/883707646.db2.gz WDKREDPBDNABKV-UHFFFAOYSA-N 0 1 387.867 3.815 20 5 GHBDMN CC(C)(CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000914527612 884038318 /nfs/dbraw/zinc/03/83/18/884038318.db2.gz PUXTUAWVGDUZDE-UHFFFAOYSA-N 0 1 387.867 3.815 20 5 GHBDMN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000918635269 884061125 /nfs/dbraw/zinc/06/11/25/884061125.db2.gz NWNBLMQVTLAJSL-YHYXMXQVSA-N 0 1 383.423 3.528 20 5 GHBDMN Cc1nc([C@@H](C)NC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)n[nH]1 ZINC000476144922 884112802 /nfs/dbraw/zinc/11/28/02/884112802.db2.gz IZEIVOUNIZYDIV-LLVKDONJSA-N 0 1 382.380 3.696 20 5 GHBDMN O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1NCc1ncn(-c2ccccc2)n1 ZINC000556257460 884260545 /nfs/dbraw/zinc/26/05/45/884260545.db2.gz GIMNXXVKSUTVIE-QFBILLFUSA-N 0 1 377.448 3.677 20 5 GHBDMN COc1ccccc1C[C@@H]1CCCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000476319422 884417886 /nfs/dbraw/zinc/41/78/86/884417886.db2.gz BQCVZVFHLLQISL-KRWDZBQOSA-N 0 1 394.431 3.861 20 5 GHBDMN CCOc1ccc([C@H](C)NCc2ccc(OC)c(NC(C)=O)c2)cc1[N+](=O)[O-] ZINC000153431785 885323018 /nfs/dbraw/zinc/32/30/18/885323018.db2.gz YTAGMLLHTQYOLF-ZDUSSCGKSA-N 0 1 387.436 3.811 20 5 GHBDMN CCOC(=O)c1csc(C2CCN(Cc3cccc([N+](=O)[O-])c3C)CC2)n1 ZINC000191569809 885397619 /nfs/dbraw/zinc/39/76/19/885397619.db2.gz HFXYLSHQQHVQCW-UHFFFAOYSA-N 0 1 389.477 3.916 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000537561790 885419753 /nfs/dbraw/zinc/41/97/53/885419753.db2.gz OCYWVMBCCVJODF-MRXNPFEDSA-N 0 1 393.447 3.768 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1CCCCN1Cc1cccc(C)c1 ZINC001127483888 885484403 /nfs/dbraw/zinc/48/44/03/885484403.db2.gz GCJQAXSOSWUELA-FQEVSTJZSA-N 0 1 397.475 3.583 20 5 GHBDMN C[C@@H]1[C@@H](Cc2ccccc2)CCN1Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000747469307 886157895 /nfs/dbraw/zinc/15/78/95/886157895.db2.gz ZIXXLTYHVHDDRH-VQIMIIECSA-N 0 1 377.448 3.764 20 5 GHBDMN CC[C@@H](CNC(=O)c1ccc(SC)c([N+](=O)[O-])c1)N1CCc2ccccc2C1 ZINC000032446307 886545219 /nfs/dbraw/zinc/54/52/19/886545219.db2.gz YRFQPMUVUJRGAR-SFHVURJKSA-N 0 1 399.516 3.883 20 5 GHBDMN COc1c(C(=O)Nc2ccc3nc(-c4ccncc4)[nH]c3c2)cccc1[N+](=O)[O-] ZINC001184225939 913085472 /nfs/dbraw/zinc/08/54/72/913085472.db2.gz IVSFGCCDIRTPKJ-UHFFFAOYSA-N 0 1 389.371 3.794 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1CN(C)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000747532801 886889742 /nfs/dbraw/zinc/88/97/42/886889742.db2.gz CDOMDALZGHINMI-UHFFFAOYSA-N 0 1 381.473 3.586 20 5 GHBDMN CN(C)[C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1Cl)c1ccc(F)cc1 ZINC000809913520 887935680 /nfs/dbraw/zinc/93/56/80/887935680.db2.gz MRCLTBLXZANAIA-OAHLLOKOSA-N 0 1 380.807 3.812 20 5 GHBDMN O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CCCN(Cc2ccccc2)CC1 ZINC000809918187 888000150 /nfs/dbraw/zinc/00/01/50/888000150.db2.gz FWQSSRGEEVBNHW-UHFFFAOYSA-N 0 1 388.855 3.988 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1CN[C@@H](C)c1ccc(N2CCCCC2=O)cc1 ZINC000810129519 888196043 /nfs/dbraw/zinc/19/60/43/888196043.db2.gz GZNFCZFMQQPTBB-HNNXBMFYSA-N 0 1 383.448 3.971 20 5 GHBDMN CC[C@@H](C)CCC(=O)N(C)c1cc([N+](=O)[O-])cc(N2CCN(CC)CC2)c1 ZINC001132279800 888530769 /nfs/dbraw/zinc/53/07/69/888530769.db2.gz RZFMRENFMGLJHT-MRXNPFEDSA-N 0 1 376.501 3.526 20 5 GHBDMN CCN1CCN(c2cc(N(C)C(=O)C=C3CCCCC3)cc([N+](=O)[O-])c2)CC1 ZINC001132279814 888530868 /nfs/dbraw/zinc/53/08/68/888530868.db2.gz SRNDMBKNMNIMTD-UHFFFAOYSA-N 0 1 386.496 3.590 20 5 GHBDMN O=C(Nc1n[nH]c2cnc(Br)cc12)c1cc([N+](=O)[O-])ccc1Cl ZINC001132298349 888536792 /nfs/dbraw/zinc/53/67/92/888536792.db2.gz AYMMJFMJMFTAAA-UHFFFAOYSA-N 0 1 396.588 3.534 20 5 GHBDMN Cc1ccc(CN[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000532858993 889103280 /nfs/dbraw/zinc/10/32/80/889103280.db2.gz SSCMQWAHGGBFMJ-VQIMIIECSA-N 0 1 391.830 3.757 20 5 GHBDMN COc1ccc([C@@H](O)C2CCN(Cc3ccc([N+](=O)[O-])c(OC)c3)CC2)cc1 ZINC000812855427 891049976 /nfs/dbraw/zinc/04/99/76/891049976.db2.gz LYUOTNAKXBJCHB-OAQYLSRUSA-N 0 1 386.448 3.558 20 5 GHBDMN C[C@@H](N[C@H](C)c1ccc(C(F)(F)F)nc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000871934252 891091264 /nfs/dbraw/zinc/09/12/64/891091264.db2.gz FUTLKFBFRBMIGP-GHMZBOCLSA-N 0 1 382.342 3.686 20 5 GHBDMN CC(C)c1cc([C@@H]2CCCN(c3c([N+](=O)[O-])c(C(F)(F)F)nn3C)C2)[nH]n1 ZINC000872646947 891295727 /nfs/dbraw/zinc/29/57/27/891295727.db2.gz AFBMJEAJWUKBPY-SNVBAGLBSA-N 0 1 386.378 3.578 20 5 GHBDMN CCOc1ccc([N+](=O)[O-])cc1CN(C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000747839347 891303583 /nfs/dbraw/zinc/30/35/83/891303583.db2.gz DXNGQGZICYMUNF-UHFFFAOYSA-N 0 1 393.484 3.825 20 5 GHBDMN C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC000476002132 892012411 /nfs/dbraw/zinc/01/24/11/892012411.db2.gz VIPDTVIOUPGCDS-OAHLLOKOSA-N 0 1 383.448 3.605 20 5 GHBDMN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000154645642 893124029 /nfs/dbraw/zinc/12/40/29/893124029.db2.gz BNSZEAMVBLJGKX-OAHLLOKOSA-N 0 1 392.419 3.791 20 5 GHBDMN COc1ccc([C@@H](C)N[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000774854956 913781382 /nfs/dbraw/zinc/78/13/82/913781382.db2.gz LOUYLGSRUNUHDX-VXGBXAGGSA-N 0 1 377.828 3.935 20 5 GHBDMN CC(C)c1cc([C@@H]2CCCN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)[nH]n1 ZINC000877784510 893812632 /nfs/dbraw/zinc/81/26/32/893812632.db2.gz RKXSTQAGWBIOKG-CQSZACIVSA-N 0 1 386.452 3.687 20 5 GHBDMN CC(C)c1cc([C@@H]2CCCN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)n[nH]1 ZINC000877784510 893812648 /nfs/dbraw/zinc/81/26/48/893812648.db2.gz RKXSTQAGWBIOKG-CQSZACIVSA-N 0 1 386.452 3.687 20 5 GHBDMN Cn1cc(CN2CC(COc3ccccc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000459637545 893951634 /nfs/dbraw/zinc/95/16/34/893951634.db2.gz XUYBSOJBPRXOAC-UHFFFAOYSA-N 0 1 378.432 3.506 20 5 GHBDMN Cc1ccc([C@H](C)NCC(=O)N[C@@H](C)Cc2c(F)cccc2F)cc1[N+](=O)[O-] ZINC000537176774 894498960 /nfs/dbraw/zinc/49/89/60/894498960.db2.gz YDNSWDDZMLVYIC-KBPBESRZSA-N 0 1 391.418 3.579 20 5 GHBDMN COc1ccc(C[C@H]2CCCN(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)cc1 ZINC000774883967 913886961 /nfs/dbraw/zinc/88/69/61/913886961.db2.gz FVZYNXUVIPRDEB-MRXNPFEDSA-N 0 1 385.420 3.966 20 5 GHBDMN Cc1ccc(CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])c(-n2cc(Cl)cn2)n1 ZINC000565219223 895466455 /nfs/dbraw/zinc/46/64/55/895466455.db2.gz VQRXADKFKQONLW-QGZVFWFLSA-N 0 1 383.839 3.914 20 5 GHBDMN COc1cc(CN2CC[C@@H](c3nccs3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000880314469 895631191 /nfs/dbraw/zinc/63/11/91/895631191.db2.gz ALYKJIXCUVHRSB-SNVBAGLBSA-N 0 1 385.392 3.651 20 5 GHBDMN Cc1cccc(C)c1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000129607797 896772513 /nfs/dbraw/zinc/77/25/13/896772513.db2.gz NYNQVRZUZFPHNI-UHFFFAOYSA-N 0 1 385.239 3.775 20 5 GHBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CSc1nc(-c2ccccc2F)n[nH]1 ZINC000004877828 914178242 /nfs/dbraw/zinc/17/82/42/914178242.db2.gz GBLVDBRQDOYDIN-UHFFFAOYSA-N 0 1 387.396 3.558 20 5 GHBDMN O=C1C[C@@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CN1c1ccccc1F ZINC001202569696 898139538 /nfs/dbraw/zinc/13/95/38/898139538.db2.gz HYQPWLMWNTTYLU-CQSZACIVSA-N 0 1 395.390 3.889 20 5 GHBDMN COc1cc(CN(C)C[C@](C)(O)c2ccccc2)c([N+](=O)[O-])cc1OC(F)F ZINC000822516747 898448895 /nfs/dbraw/zinc/44/88/95/898448895.db2.gz PJDGHSXVKCHLOC-IBGZPJMESA-N 0 1 396.390 3.544 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N2C[C@@H](c3ccccc3Cl)OC[C@@H]2C)c1[N+](=O)[O-] ZINC000331543393 898969260 /nfs/dbraw/zinc/96/92/60/898969260.db2.gz HIVDNZFKFZMZDC-FZMZJTMJSA-N 0 1 392.843 3.697 20 5 GHBDMN Cc1cccnc1[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000118840253 899481321 /nfs/dbraw/zinc/48/13/21/899481321.db2.gz BTZVWSGWNXVFRS-QGZVFWFLSA-N 0 1 376.844 3.877 20 5 GHBDMN Cc1ccc(CN2CCC(n3cc(Br)cn3)CC2)cc1[N+](=O)[O-] ZINC000332433874 899666571 /nfs/dbraw/zinc/66/65/71/899666571.db2.gz FZAYSGXYQULBIK-UHFFFAOYSA-N 0 1 379.258 3.699 20 5 GHBDMN Cn1ccnc1[C@H](NCC[C@@]1(C)CC1(Cl)Cl)c1ccc([N+](=O)[O-])cc1 ZINC000824971485 899920682 /nfs/dbraw/zinc/92/06/82/899920682.db2.gz RVWKUJUTQMIAQH-ZBFHGGJFSA-N 0 1 383.279 3.981 20 5 GHBDMN O=[N+]([O-])c1ccc2oc(CN3CCC[C@H]3C[C@H](O)c3ccc(F)cc3)nc2c1 ZINC000134807313 900124504 /nfs/dbraw/zinc/12/45/04/900124504.db2.gz JOBOSUZEOBKGIW-YJBOKZPZSA-N 0 1 385.395 3.963 20 5 GHBDMN Cc1ccc([C@@H](C)N[C@H](C)c2ccc(S(C)(=O)=O)c(F)c2)cc1[N+](=O)[O-] ZINC000124038051 902014962 /nfs/dbraw/zinc/01/49/62/902014962.db2.gz NLBRDQPJXIEIAP-CHWSQXEVSA-N 0 1 380.441 3.858 20 5 GHBDMN Cc1cc(C)c2c(c1)N(C(=O)c1cc(-c3ccc([N+](=O)[O-])cc3)n[nH]1)CCO2 ZINC001144748238 902800002 /nfs/dbraw/zinc/80/00/02/902800002.db2.gz GUXPDDZOCZJYNP-UHFFFAOYSA-N 0 1 378.388 3.641 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N(C)[C@H](CCc2ccccc2)C(F)F)c1[N+](=O)[O-] ZINC000600795049 902927425 /nfs/dbraw/zinc/92/74/25/902927425.db2.gz WFTLIVHGAUGGCN-CYBMUJFWSA-N 0 1 380.395 3.780 20 5 GHBDMN O=c1ccc2c([nH]1)CCC[C@H]2NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000264943829 903494011 /nfs/dbraw/zinc/49/40/11/903494011.db2.gz HSNIHQBOGQBSBB-MRXNPFEDSA-N 0 1 382.445 3.986 20 5 GHBDMN O=C([O-])c1ccc([N+](=O)[O-])c(N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000578362876 903768062 /nfs/dbraw/zinc/76/80/62/903768062.db2.gz BAPSYLWYJVNCQM-UHFFFAOYSA-N 0 1 395.459 3.786 20 5 GHBDMN C[C@H](c1ccc(F)cc1)N1CC[C@H](N(C)CCc2ccccc2[N+](=O)[O-])C1=O ZINC000579257822 904459164 /nfs/dbraw/zinc/45/91/64/904459164.db2.gz NXEUTJSGDDSKAW-QRWLVFNGSA-N 0 1 385.439 3.570 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CCC[C@H](Oc3ccncc3)C2)c1F ZINC001173193008 906277158 /nfs/dbraw/zinc/27/71/58/906277158.db2.gz NRSLHKRZKTUIHM-ZBFHGGJFSA-N 0 1 389.427 3.612 20 5 GHBDMN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1Cc2ccccc2C[C@H]1C(=O)NC(C)(C)C ZINC001173235864 906322126 /nfs/dbraw/zinc/32/21/26/906322126.db2.gz ZUXXLNYQRZGVIW-IERDGZPVSA-N 0 1 395.503 3.867 20 5 GHBDMN COc1cc([C@H](C)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)ccc1S(C)(=O)=O ZINC000181236458 906951979 /nfs/dbraw/zinc/95/19/79/906951979.db2.gz MVOZVCMEHXAWFP-KGLIPLIRSA-N 0 1 392.477 3.727 20 5 GHBDMN CN(C)c1ccc(N(Cc2ccc[nH]2)C(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1 ZINC000773493578 907522751 /nfs/dbraw/zinc/52/27/51/907522751.db2.gz DEOCJJSVAHMFNP-UHFFFAOYSA-N 0 1 380.404 3.542 20 5 GHBDMN O=C([O-])CC[C@H]1CCC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000901554118 921354346 /nfs/dbraw/zinc/35/43/46/921354346.db2.gz XLWWQNWEXOKNTN-CYBMUJFWSA-N 0 1 375.450 3.795 20 5 GHBDMN CC(C)c1ccc(C(=O)NC2CCN(Cc3cccnc3)CC2)cc1[N+](=O)[O-] ZINC000189710336 908367784 /nfs/dbraw/zinc/36/77/84/908367784.db2.gz TWGJUHRJIIHMBB-UHFFFAOYSA-N 0 1 382.464 3.508 20 5 GHBDMN COCC1(CN2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CCC1 ZINC001180354115 910091715 /nfs/dbraw/zinc/09/17/15/910091715.db2.gz SMCUYXDMNRIYCP-UHFFFAOYSA-N 0 1 387.402 3.552 20 5 GHBDMN Cc1ccc(CSc2n[nH]c(NC(=O)c3csc([N+](=O)[O-])c3)n2)cc1 ZINC001180832633 910369002 /nfs/dbraw/zinc/36/90/02/910369002.db2.gz LLYBMQQTFPSOSV-UHFFFAOYSA-N 0 1 375.435 3.627 20 5 GHBDMN O=C([O-])C[C@@H]1CSCC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000901982790 921788035 /nfs/dbraw/zinc/78/80/35/921788035.db2.gz GTAIKVVTMFKANC-GFCCVEGCSA-N 0 1 378.475 3.715 20 5 GHBDMN COc1cc([C@H](C)N[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc(OC)c1OC ZINC000293832242 916407939 /nfs/dbraw/zinc/40/79/39/916407939.db2.gz SKQMDTCBBQUBAE-RYUDHWBXSA-N 0 1 375.425 3.615 20 5 GHBDMN COc1ccc([C@H](CCO)NCc2cc([N+](=O)[O-])ccc2C(F)(F)F)cc1 ZINC000293892271 916452364 /nfs/dbraw/zinc/45/23/64/916452364.db2.gz VGCGVPNNTCMRAA-KRWDZBQOSA-N 0 1 384.354 3.836 20 5 GHBDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)n[nH]1 ZINC000294992539 917085530 /nfs/dbraw/zinc/08/55/30/917085530.db2.gz UFRUSGZEHHSCTH-DTWKUNHWSA-N 0 1 385.346 3.736 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1CN(C)CC[C@H](NC(=O)OC(C)(C)C)C(C)C ZINC001191289223 917899029 /nfs/dbraw/zinc/89/90/29/917899029.db2.gz KAPQWCFTIIEUSW-KRWDZBQOSA-N 0 1 395.500 3.975 20 5 GHBDMN CN(C(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1)[C@@H]1CCCN(C)C1 ZINC000119130585 919606450 /nfs/dbraw/zinc/60/64/50/919606450.db2.gz VCNHVKGHQSMNGZ-OAHLLOKOSA-N 0 1 377.510 3.796 20 5 GHBDMN COc1cc([C@H](C)NCc2ccccc2CN2CCCC2=O)cc([N+](=O)[O-])c1 ZINC000903067372 922742660 /nfs/dbraw/zinc/74/26/60/922742660.db2.gz SEQIYWGKECLODT-HNNXBMFYSA-N 0 1 383.448 3.577 20 5 GHBDMN COc1cc([C@H](C)N[C@@H](C)c2ccc(N3CCCNC3=O)cc2)cc([N+](=O)[O-])c1 ZINC000903175676 922832919 /nfs/dbraw/zinc/83/29/19/922832919.db2.gz UQVXNKJYUDNBIP-GJZGRUSLSA-N 0 1 398.463 3.935 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2ccc(CN[C@H](c3nnc[nH]3)c3ccccc3)o2)cc1 ZINC000369019658 923059325 /nfs/dbraw/zinc/05/93/25/923059325.db2.gz ZFGJVGAWKQUCIE-IBGZPJMESA-N 0 1 375.388 3.852 20 5 GHBDMN Cc1cccc2oc(CCNCc3cc([N+](=O)[O-])ccc3OC(F)F)nc21 ZINC000410319178 925531305 /nfs/dbraw/zinc/53/13/05/925531305.db2.gz TYANEEHGDHODIH-UHFFFAOYSA-N 0 1 377.347 3.978 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2noc(CN3CCCC[C@H]3[C@@H](O)c3ccccc3)n2)cc1 ZINC000750609081 927747602 /nfs/dbraw/zinc/74/76/02/927747602.db2.gz PONFORCLRQCSHN-ICSRJNTNSA-N 0 1 394.431 3.733 20 5 GHBDMN O=[N+]([O-])c1cnc(N2CCCN(Cc3ccc(F)cc3)CC2)c(C(F)(F)F)c1 ZINC000413033039 928123835 /nfs/dbraw/zinc/12/38/35/928123835.db2.gz JVNFOJZZQWZAQB-UHFFFAOYSA-N 0 1 398.360 3.860 20 5 GHBDMN CN(Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000751469113 928206766 /nfs/dbraw/zinc/20/67/66/928206766.db2.gz SUCFYBCIWFCQJK-UHFFFAOYSA-N 0 1 390.440 3.567 20 5 GHBDMN O=C(CN1CCCCC[C@H]1C[C@@H](O)c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000751558981 928249400 /nfs/dbraw/zinc/24/94/00/928249400.db2.gz LPXWOLMGMVLELB-GHTZIAJQSA-N 0 1 397.475 3.902 20 5 GHBDMN COc1ccc(CN(C)C[C@H](O)c2ccccc2Br)cc1[N+](=O)[O-] ZINC000752017472 928554684 /nfs/dbraw/zinc/55/46/84/928554684.db2.gz VXINDXBBKUJORO-INIZCTEOSA-N 0 1 395.253 3.531 20 5 GHBDMN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2cc([N+](=O)[O-])c(Cl)cc2C)c1 ZINC000758150503 929948358 /nfs/dbraw/zinc/94/83/58/929948358.db2.gz MHWVNCXVGDSEET-UHFFFAOYSA-N 0 1 399.812 3.882 20 5 GHBDMN Cc1cc(F)cc(C(=O)Nc2nc3ccc(Br)cc3[nH]2)c1[N+](=O)[O-] ZINC000758505685 930065092 /nfs/dbraw/zinc/06/50/92/930065092.db2.gz RQJQJFROGPIKGY-UHFFFAOYSA-N 0 1 393.172 3.933 20 5 GHBDMN CN(C)Cc1cc(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)ccc1F ZINC000546562627 930267589 /nfs/dbraw/zinc/26/75/89/930267589.db2.gz BTFCDEVYDSOPTM-UHFFFAOYSA-N 0 1 391.418 3.529 20 5 GHBDMN Cc1nc(-c2ccccc2)[nH]c1C(=O)OCCOc1ccc([N+](=O)[O-])cc1C ZINC000780635751 930565384 /nfs/dbraw/zinc/56/53/84/930565384.db2.gz CEQVLYFPWMYZSH-UHFFFAOYSA-N 0 1 381.388 3.838 20 5 GHBDMN CCN1CCN(c2ccccc2NC(=O)/C=C(\C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000783754691 931645061 /nfs/dbraw/zinc/64/50/61/931645061.db2.gz HCRQEYFHRSLKBW-WUKNDPDISA-N 0 1 394.475 3.779 20 5 GHBDMN CCN1CCN(c2ccccc2NC(=O)/C=C(/C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000783754690 931645191 /nfs/dbraw/zinc/64/51/91/931645191.db2.gz HCRQEYFHRSLKBW-MSUUIHNZSA-N 0 1 394.475 3.779 20 5 GHBDMN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(Cc3c(F)cccc3[N+](=O)[O-])C[C@@H]21 ZINC000784509270 931917912 /nfs/dbraw/zinc/91/79/12/931917912.db2.gz MDQWOAPIZZAZRI-GRDNDAEWSA-N 0 1 393.459 3.859 20 5 GHBDMN CC[C@H]1C[N@@H+](C)CCN1c1ccc(C(=O)Nc2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000558980467 932352971 /nfs/dbraw/zinc/35/29/71/932352971.db2.gz ZMTJKWYCPDTZKA-SFHVURJKSA-N 0 1 382.464 3.686 20 5 GHBDMN CC[C@H]1CN(C)CCN1c1ccc(C(=O)Nc2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000558980467 932352977 /nfs/dbraw/zinc/35/29/77/932352977.db2.gz ZMTJKWYCPDTZKA-SFHVURJKSA-N 0 1 382.464 3.686 20 5 GHBDMN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(-c3nncs3)cc2)ccc1Cl ZINC000798247573 932575849 /nfs/dbraw/zinc/57/58/49/932575849.db2.gz XFYLYOQFIDTCCG-UHFFFAOYSA-N 0 1 396.837 3.568 20 5 GHBDMN C[C@H](CC(=O)OC(C)(C)C)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001116475235 933580654 /nfs/dbraw/zinc/58/06/54/933580654.db2.gz XOBVGAVJAQNRCX-GFCCVEGCSA-N 0 1 377.466 3.928 20 5 GHBDMN C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@H](C(=O)[O-])[C@@H](c2ccc(F)cc2F)C1 ZINC001118324013 934138411 /nfs/dbraw/zinc/13/84/11/934138411.db2.gz KKTUOXVKLIVNFJ-XZJROXQQSA-N 0 1 376.359 3.734 20 5 GHBDMN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(Br)c1O ZINC001137852204 935825606 /nfs/dbraw/zinc/82/56/06/935825606.db2.gz QCFANVCKCLTOEZ-UHFFFAOYSA-N 0 1 399.628 3.689 20 5 GHBDMN Cc1cc([N+](=O)[O-])c(F)c(C(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)c1F ZINC000830010703 935890299 /nfs/dbraw/zinc/89/02/99/935890299.db2.gz YSBHVEUARKCNRH-HIFRSBDPSA-N 0 1 389.402 3.574 20 5 GHBDMN O=C([O-])CC[C@@H]1CCCC[N@H+]1Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001595012464 951260996 /nfs/dbraw/zinc/26/09/96/951260996.db2.gz ICBRZDPESPNMPW-LBPRGKRZSA-N 0 1 394.815 3.518 20 5 GHBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2C[C@H](C(=O)[O-])CC[C@H]2C)cc1OC ZINC001589459046 954857557 /nfs/dbraw/zinc/85/75/57/954857557.db2.gz SXQSMKSWKJHYRI-RRFJBIMHSA-N 0 1 394.468 3.713 20 5 GHBDMN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1cc(-c2cccc(Cl)c2)[nH]n1 ZINC001625914770 1014371778 /nfs/dbraw/zinc/37/17/78/1014371778.db2.gz QUCRNIXMYBYZGI-UHFFFAOYSA-N 0 1 384.823 3.953 20 5 GHBDMN CCN(CC)[C@@H](CNC(=O)CCc1c(Cl)cccc1[N+](=O)[O-])c1ccco1 ZINC001625961411 1014592324 /nfs/dbraw/zinc/59/23/24/1014592324.db2.gz OHGPZMCOFHIGOT-KRWDZBQOSA-N 0 1 393.871 3.973 20 5 GHBDMN CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2C[C@@H](C)[C@H](CC(=O)[O-])C2)cc1OC ZINC001594963960 982715515 /nfs/dbraw/zinc/71/55/15/982715515.db2.gz AHSYWGWDJAFUQP-RBSFLKMASA-N 0 1 394.468 3.571 20 5 GHBDMN C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001598442042 991858319 /nfs/dbraw/zinc/85/83/19/991858319.db2.gz LFTOEELMGOKHQM-ZBFHGGJFSA-N 0 1 399.230 3.693 20 5 GHBDMN C[N@H+](Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC001598507357 992522972 /nfs/dbraw/zinc/52/29/72/992522972.db2.gz OAKMFPONPNCOFL-YLJYHZDGSA-N 0 1 384.432 3.893 20 5 GHBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)CNc1cccc(CN2CCC[C@H]2C(N)=O)c1 ZINC000468742483 1015983237 /nfs/dbraw/zinc/98/32/37/1015983237.db2.gz BWXYHQIYUHHKHH-HZBHDWBUSA-N 0 1 394.475 3.560 20 5 GHBDMN CCc1ccc(-c2nc(Cc3nnc(-c4ccccc4)[nH]3)no2)cc1[N+](=O)[O-] ZINC000545798909 1016405540 /nfs/dbraw/zinc/40/55/40/1016405540.db2.gz XMELRZFSMZHRTC-UHFFFAOYSA-N 0 1 376.376 3.583 20 5 GHBDMN O=C(Nc1nc2cccc(Br)c2[nH]1)c1ccc([N+](=O)[O-])cc1F ZINC001154515438 1032156757 /nfs/dbraw/zinc/15/67/57/1032156757.db2.gz SHJHVKZEQHQBCV-UHFFFAOYSA-N 0 1 379.145 3.625 20 5 GHBDMN N[C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)N[C@@H]1CCCc2nccnc21 ZINC001220951330 1032204702 /nfs/dbraw/zinc/20/47/02/1032204702.db2.gz XRUBFFZXWBXBMV-JTHBVZDNSA-N 0 1 396.494 3.847 20 5 GHBDMN N[C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)NCc1cn(CC2CC2)cn1 ZINC001221023629 1032241047 /nfs/dbraw/zinc/24/10/47/1032241047.db2.gz PQSITEIRCHAAGL-DEOSSOPVSA-N 0 1 398.510 3.786 20 5 GHBDMN COc1ccccc1[C@@H](Oc1[nH]c(=O)nc2ccc([N+](=O)[O-])cc21)C(F)(F)F ZINC001227095541 1032269347 /nfs/dbraw/zinc/26/93/47/1032269347.db2.gz KSXSQDWTYMCGKD-CQSZACIVSA-N 0 1 395.293 3.935 20 5 GHBDMN O=[N+]([O-])c1nc(Br)ccc1O[C@H]1CCCN(Cc2ccccc2)C1 ZINC001227256337 1032344200 /nfs/dbraw/zinc/34/42/00/1032344200.db2.gz GCUNSJCSLBJOLV-AWEZNQCLSA-N 0 1 392.253 3.796 20 5 GHBDMN CO[C@@H](CN1CCN(c2ccc3cccc([N+](=O)[O-])c3n2)CC1)c1ccccc1 ZINC001155717288 1032659110 /nfs/dbraw/zinc/65/91/10/1032659110.db2.gz WMNCTSHYNYMBIT-FQEVSTJZSA-N 0 1 392.459 3.653 20 5 GHBDMN CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(Cc1ccc([N+](=O)[O-])c(F)c1)C2 ZINC000934612954 1018915122 /nfs/dbraw/zinc/91/51/22/1018915122.db2.gz YTACLUDIDNODLC-ZNMIVQPWSA-N 0 1 379.432 3.612 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)c(O[C@H]2CC[C@@H](N3CCOCC3)CC2)c(Cl)c1 ZINC001228203818 1032838908 /nfs/dbraw/zinc/83/89/08/1032838908.db2.gz FYCHRLRNNVIPJU-BJHJDKERSA-N 0 1 375.252 3.924 20 5 GHBDMN O=c1nc2cc([N+](=O)[O-])ccc2c(O[C@@H]2CC[C@H](OCc3ccccc3)C2)[nH]1 ZINC001228243748 1032860270 /nfs/dbraw/zinc/86/02/70/1032860270.db2.gz BIMMYIFIURWWFS-JKSUJKDBSA-N 0 1 381.388 3.760 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000192032073 1020841022 /nfs/dbraw/zinc/84/10/22/1020841022.db2.gz LAXPHKYOKICNIU-APWZRJJASA-N 0 1 389.839 3.615 20 5 GHBDMN Cc1nc(COC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)n[nH]1 ZINC000755738968 1023359102 /nfs/dbraw/zinc/35/91/02/1023359102.db2.gz BVUDVQHKCCAMTM-UHFFFAOYSA-N 0 1 376.438 3.661 20 5 GHBDMN COc1ccc([C@H](C)Oc2nc(C(F)(F)F)cc(O)c2[N+](=O)[O-])cc1OC ZINC001228859199 1033140603 /nfs/dbraw/zinc/14/06/03/1033140603.db2.gz IZFAKVJKCMYNJM-QMMMGPOBSA-N 0 1 388.298 3.871 20 5 GHBDMN CC(C)(C)OC(=O)N1CC[C@H](CCN2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000839530213 1026016237 /nfs/dbraw/zinc/01/62/37/1026016237.db2.gz NWKQRSLFLSKKPE-HNNXBMFYSA-N 0 1 375.469 3.600 20 5 GHBDMN CC(C)(C)OC(=O)CC[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000839669038 1026187723 /nfs/dbraw/zinc/18/77/23/1026187723.db2.gz BPBJQXLQEUFSRG-CQSZACIVSA-N 0 1 393.440 3.837 20 5 GHBDMN CSc1cccc([C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])c2cc(F)ccc2F)c1 ZINC000839690883 1026205892 /nfs/dbraw/zinc/20/58/92/1026205892.db2.gz JDKHRJYHBZLGNN-DJIMGWMZSA-N 0 1 378.400 3.558 20 5 GHBDMN CN1CCN(c2ccc(CCNc3ncc([N+](=O)[O-])c4ccccc43)cc2)CC1 ZINC001164394456 1026505657 /nfs/dbraw/zinc/50/56/57/1026505657.db2.gz PDJAFWNCWMLAPT-UHFFFAOYSA-N 0 1 391.475 3.549 20 5 GHBDMN Cc1nn(CN2CCC3(CC2)OCCc2ccccc23)c2ccc([N+](=O)[O-])cc12 ZINC000840153063 1027284969 /nfs/dbraw/zinc/28/49/69/1027284969.db2.gz KHPAUFQOOGGOGG-UHFFFAOYSA-N 0 1 392.459 3.774 20 5 GHBDMN COc1ccc(I)c(Nc2ccc(O)c([N+](=O)[O-])c2)c1 ZINC001210401231 1027492121 /nfs/dbraw/zinc/49/21/21/1027492121.db2.gz RVMBHPWIISIUJY-UHFFFAOYSA-N 0 1 386.145 3.657 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2nc(CNC[C@@H](O)Cc3ccccc3F)cs2)c1 ZINC001203692186 1027539008 /nfs/dbraw/zinc/53/90/08/1027539008.db2.gz VHWPVKORRLECIC-KRWDZBQOSA-N 0 1 387.436 3.551 20 5 GHBDMN COc1cc(-c2noc(-c3ccc(O)cc3[N+](=O)[O-])n2)ccc1Br ZINC001216890663 1029982066 /nfs/dbraw/zinc/98/20/66/1029982066.db2.gz GDPIFWPHTGUCTM-UHFFFAOYSA-N 0 1 392.165 3.789 20 5 GHBDMN COc1cc2c(cc1-c1noc(-c3ccc(O)cc3[N+](=O)[O-])n1)CCCC2=O ZINC001216894552 1029984014 /nfs/dbraw/zinc/98/40/14/1029984014.db2.gz RHNLRUZFZQQFJD-UHFFFAOYSA-N 0 1 381.344 3.545 20 5 GHBDMN COC(=O)c1cc(CO[C@H]2CCCN([C@@H](C)c3ccccn3)C2)cc([N+](=O)[O-])c1 ZINC001223692221 1030707459 /nfs/dbraw/zinc/70/74/59/1030707459.db2.gz ZGWRNDYTBXIAGT-KXBFYZLASA-N 0 1 399.447 3.519 20 5 GHBDMN Cc1ccc(C(=O)c2cc([O-])c(O[C@H]3CCC[C@]34CC[NH2+]C4)c([N+](=O)[O-])c2)cc1 ZINC001218092866 1030767823 /nfs/dbraw/zinc/76/78/23/1030767823.db2.gz IFNMAYFLCDXZPF-SIKLNZKXSA-N 0 1 396.443 3.751 20 5 GHBDMN Cc1cc([N+](=O)[O-])c(OC(C(=O)c2ccccn2)c2ccccn2)c([N+](=O)[O-])c1 ZINC001225600883 1031503545 /nfs/dbraw/zinc/50/35/45/1031503545.db2.gz KKKKWDILHXIKMY-GOSISDBHSA-N 0 1 394.343 3.604 20 5 GHBDMN O=[N+]([O-])c1c([O-])ccnc1O[C@H]1CC[N@@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC001225664787 1031530373 /nfs/dbraw/zinc/53/03/73/1031530373.db2.gz UGZFTEMIEMCVQH-NSHDSACASA-N 0 1 384.219 3.656 20 5 GHBDMN O=c1cc[nH]c(O[C@H]2CCN(Cc3ccc(Cl)c(Cl)c3)C2)c1[N+](=O)[O-] ZINC001225664787 1031530386 /nfs/dbraw/zinc/53/03/86/1031530386.db2.gz UGZFTEMIEMCVQH-NSHDSACASA-N 0 1 384.219 3.656 20 5 GHBDMN COc1ccc2c(=O)cc(C(=O)Nc3cc4cccnc4c4ncccc34)[nH]c2c1 ZINC001154118918 1031936870 /nfs/dbraw/zinc/93/68/70/1031936870.db2.gz WHGJBXIIQQIWPB-UHFFFAOYSA-N 0 1 396.406 3.885 20 5 GHBDMN CCC(=O)c1cc(Br)cc([N+](=O)[O-])c1OC1CCN(C2CC2)CC1 ZINC001229244910 1033364658 /nfs/dbraw/zinc/36/46/58/1033364658.db2.gz TYRUUKRNZAZXKL-UHFFFAOYSA-N 0 1 397.269 3.956 20 5 GHBDMN C[C@H]1CCN(Cc2ccccc2)C[C@H]1Oc1n[nH]c(=O)c2cccc([N+](=O)[O-])c21 ZINC001229374852 1033445004 /nfs/dbraw/zinc/44/50/04/1033445004.db2.gz SZTCGJWMKQPDAA-KBXCAEBGSA-N 0 1 394.431 3.533 20 5 GHBDMN COc1cc(-c2noc(-c3cc(-c4ccc([N+](=O)[O-])cc4)n[nH]3)n2)ccc1F ZINC001213007636 1033513841 /nfs/dbraw/zinc/51/38/41/1033513841.db2.gz VRLGMEBOALYAON-UHFFFAOYSA-N 0 1 381.323 3.850 20 5 GHBDMN O=C(Nc1cc[nH+]c(N2CCCCC2)c1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001157438954 1033591810 /nfs/dbraw/zinc/59/18/10/1033591810.db2.gz QOISRWOXRWHGDT-UHFFFAOYSA-N 0 1 376.800 3.591 20 5 GHBDMN COc1cc(Cl)cnc1-c1noc(-c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)n1 ZINC001213008588 1033597067 /nfs/dbraw/zinc/59/70/67/1033597067.db2.gz RYTJRAJJVAXUGY-UHFFFAOYSA-N 0 1 398.766 3.759 20 5 GHBDMN CC(C)(C)[NH+]1CCC(Oc2cc3c4ccc([O-])cc4oc(=O)c3cc2O)CC1 ZINC001229804328 1033729871 /nfs/dbraw/zinc/72/98/71/1033729871.db2.gz AYAKLHGBMHBOGM-UHFFFAOYSA-N 0 1 383.444 3.999 20 5 GHBDMN CC(=O)Nc1ccc([N+](=O)[O-])cc1O[C@@H]1CCCN(Cc2ccccc2F)C1 ZINC001230251250 1033962208 /nfs/dbraw/zinc/96/22/08/1033962208.db2.gz OHEZVXVOPPBPNJ-QGZVFWFLSA-N 0 1 387.411 3.736 20 5 GHBDMN C[C@@H]1CN(c2nc(Cl)nc(Cl)c2[N+](=O)[O-])[C@H](C)CN1Cc1ccccc1 ZINC001158524201 1034126815 /nfs/dbraw/zinc/12/68/15/1034126815.db2.gz UPMDRHKJEHDBPZ-VXGBXAGGSA-N 0 1 396.278 3.791 20 5 GHBDMN CCOC(=O)C1(Nc2ccc3ccc4ccc(Cl)nc4c3n2)CCN(C)CC1 ZINC001158572229 1034160140 /nfs/dbraw/zinc/16/01/40/1034160140.db2.gz DAHGZFXXIPIIGF-UHFFFAOYSA-N 0 1 398.894 3.876 20 5 GHBDMN C[C@H](c1nc2ccc(Cl)cc2[nH]1)N(C)C(=O)COc1ccccc1[N+](=O)[O-] ZINC001158880664 1034316830 /nfs/dbraw/zinc/31/68/30/1034316830.db2.gz BTKLSIFSOVHPDJ-LLVKDONJSA-N 0 1 388.811 3.723 20 5 GHBDMN COC(=O)c1ccc(OC)c2c1CCN(C/C(C)=C\c1cccc([N+](=O)[O-])c1)C2 ZINC001207417142 1034353629 /nfs/dbraw/zinc/35/36/29/1034353629.db2.gz YTRWJHMCMPMXSF-PTNGSMBKSA-N 0 1 396.443 3.852 20 5 GHBDMN CC(C)(C)OC(=O)N1C[C@H](NCc2ccc([N+](=O)[O-])cc2Cl)C2(CC2)C1 ZINC001207793271 1034577550 /nfs/dbraw/zinc/57/75/50/1034577550.db2.gz GGRUXSWMURJJPM-HNNXBMFYSA-N 0 1 381.860 3.737 20 5 GHBDMN O=C(Nc1n[nH]c2nc(C(F)(F)F)ccc12)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001159611167 1034688143 /nfs/dbraw/zinc/68/81/43/1034688143.db2.gz WDLYZZDWOLGSIA-VXGBXAGGSA-N 0 1 391.309 3.627 20 5 GHBDMN CCCc1[nH]nc(C(=O)N2CCC(Cc3ccc(C)c(C)c3)CC2)c1[N+](=O)[O-] ZINC001160593764 1035012551 /nfs/dbraw/zinc/01/25/51/1035012551.db2.gz FMZNLDVDOHVYKH-UHFFFAOYSA-N 0 1 384.480 3.982 20 5 GHBDMN CSc1ccc(C=CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)s1 ZINC001160727813 1035044872 /nfs/dbraw/zinc/04/48/72/1035044872.db2.gz XVAWJZZPTCZFDR-ALCCZGGFSA-N 0 1 387.446 3.815 20 5 GHBDMN [NH3+][C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc3[n-]c(=S)sc3c2)no1 ZINC001248210874 1035642610 /nfs/dbraw/zinc/64/26/10/1035642610.db2.gz VERMDGOEPRBTTN-LBPRGKRZSA-N 0 1 399.457 3.786 20 5 GHBDMN O=[N+]([O-])c1ccc2oc(CNC[C@]3(Cc4ccc(F)cc4)CCC[C@@H]3O)nc2c1 ZINC001462086504 1069986984 /nfs/dbraw/zinc/98/69/84/1069986984.db2.gz LTHJLQNHHPZZCH-PZJWPPBQSA-N 0 1 399.422 3.739 20 5 GHBDMN O=[N+]([O-])c1ccc(N2CCCCC2)cc1O[C@H]1CC[C@@H](N2CCOCC2)CC1 ZINC001234368712 1039987595 /nfs/dbraw/zinc/98/75/95/1039987595.db2.gz NLPUKDBIJBQIJT-IZAXUBKRSA-N 0 1 389.496 3.607 20 5 GHBDMN CC(C)=CCc1c(O)cc2oc3ccc(O)cc3c(=O)c2c1OC1CC(=O)C1 ZINC001234744594 1040271036 /nfs/dbraw/zinc/27/10/36/1040271036.db2.gz NPBWRRSJJLXQDM-UHFFFAOYSA-N 0 1 380.396 3.976 20 5 GHBDMN O=C(c1ccc(Cl)cc1)N1CCCN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254606895 1040379034 /nfs/dbraw/zinc/37/90/34/1040379034.db2.gz JFPJCMBBDQBYNE-FQEVSTJZSA-N 0 1 399.878 3.564 20 5 GHBDMN Cc1cc([O-])c([N+](=O)[O-])cc1-c1nnc([C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001255496613 1041090580 /nfs/dbraw/zinc/09/05/80/1041090580.db2.gz UTMLXRISKPEMRC-OAHLLOKOSA-N 0 1 380.404 3.648 20 5 GHBDMN COc1cc(N2CCC([N@H+]3CCCC(F)(F)[C@H](F)C3)CC2)ccc1[N+](=O)[O-] ZINC001256093056 1041522564 /nfs/dbraw/zinc/52/25/64/1041522564.db2.gz FIGRTRRRPJJFLZ-QGZVFWFLSA-N 0 1 387.402 3.641 20 5 GHBDMN COc1cc(N2CCC(N3CCCC(F)(F)[C@H](F)C3)CC2)ccc1[N+](=O)[O-] ZINC001256093056 1041522571 /nfs/dbraw/zinc/52/25/71/1041522571.db2.gz FIGRTRRRPJJFLZ-QGZVFWFLSA-N 0 1 387.402 3.641 20 5 GHBDMN Cc1nc(C2CCN(c3ncnc4c(Cl)cc([N+](=O)[O-])cc43)CC2)[nH]c1C ZINC001307210976 1045319544 /nfs/dbraw/zinc/31/95/44/1045319544.db2.gz HCPKJYNCVRSMNT-UHFFFAOYSA-N 0 1 386.843 3.915 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC001298249277 1045752298 /nfs/dbraw/zinc/75/22/98/1045752298.db2.gz RVGOSZQHAJEONI-SNVBAGLBSA-N 0 1 388.811 3.966 20 5 GHBDMN CC[C@@H](NC(=O)NCCN(C)Cc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000489448569 1045904150 /nfs/dbraw/zinc/90/41/50/1045904150.db2.gz MSWFRZCABVQPHN-LJQANCHMSA-N 0 1 388.443 3.616 20 5 GHBDMN C[C@H](CCC(=O)Nc1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-])c1ccccc1 ZINC001463054802 1070759966 /nfs/dbraw/zinc/75/99/66/1070759966.db2.gz IAUZVILRVUOLBM-QGZVFWFLSA-N 0 1 396.491 3.869 20 5 GHBDMN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1CCC[C@@H](Cc2nccs2)C1 ZINC001303769674 1047509003 /nfs/dbraw/zinc/50/90/03/1047509003.db2.gz QGIUJGGLALQCDL-ZDUSSCGKSA-N 0 1 397.460 3.536 20 5 GHBDMN O=C(c1ccc(CN2CCCCC2)o1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001265962878 1047697543 /nfs/dbraw/zinc/69/75/43/1047697543.db2.gz PYAPUFAYYKPLDJ-UHFFFAOYSA-N 0 1 383.448 3.979 20 5 GHBDMN C[C@H](C(=O)N1C[C@@H](C)N(Cc2ccccc2)C[C@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC001266225370 1047719439 /nfs/dbraw/zinc/71/94/39/1047719439.db2.gz MGEWXZQOCPBWNX-ZACQAIPSSA-N 0 1 399.466 3.959 20 5 GHBDMN O=C(Nc1nnc(-c2c(F)cccc2F)s1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC001287632288 1048858277 /nfs/dbraw/zinc/85/82/77/1048858277.db2.gz MPUNGCMCTJMMRR-UHFFFAOYSA-N 0 1 398.297 3.922 20 5 GHBDMN O=[N+]([O-])c1cnc2ccc(F)cc2c1NC[C@H](c1ccco1)N1CCCCC1 ZINC001306910906 1048956888 /nfs/dbraw/zinc/95/68/88/1048956888.db2.gz MOKOYJJFFRHZDC-QGZVFWFLSA-N 0 1 384.411 3.936 20 5 GHBDMN CCOC(=O)c1cc([N+](=O)[O-])c(NC[C@@H](c2ccsc2)N(C)C)cc1C ZINC001306926240 1048962946 /nfs/dbraw/zinc/96/29/46/1048962946.db2.gz OSGKSTXNFARSJE-KRWDZBQOSA-N 0 1 377.466 3.856 20 5 GHBDMN COc1ccc(CN2CC[C@@H]2CNc2nccc3c2cccc3[N+](=O)[O-])cc1 ZINC001307169332 1049117331 /nfs/dbraw/zinc/11/73/31/1049117331.db2.gz MUHBATVJQFKZER-MRXNPFEDSA-N 0 1 378.432 3.838 20 5 GHBDMN CCOc1cc(C(=O)Nc2nc3ccc(Cl)cc3[nH]2)c([N+](=O)[O-])cc1OC ZINC001288565716 1049141864 /nfs/dbraw/zinc/14/18/64/1049141864.db2.gz QRPNPCHETOHKEN-UHFFFAOYSA-N 0 1 390.783 3.784 20 5 GHBDMN C[C@@]1(Cc2ccccc2F)CCCN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001307872054 1049654069 /nfs/dbraw/zinc/65/40/69/1049654069.db2.gz KFYLNEMGASMXMJ-QFIPXVFZSA-N 0 1 397.450 3.720 20 5 GHBDMN COC(=O)c1cnc(CC2CCN(Cc3cccc([N+](=O)[O-])c3C)CC2)s1 ZINC001308044232 1049793871 /nfs/dbraw/zinc/79/38/71/1049793871.db2.gz UVDOUCDFSXUOHG-UHFFFAOYSA-N 0 1 389.477 3.601 20 5 GHBDMN Cc1c(CN2C3CCC2(CNC(=O)OC(C)(C)C)CC3)cccc1[N+](=O)[O-] ZINC001308148374 1049886601 /nfs/dbraw/zinc/88/66/01/1049886601.db2.gz CMDPMLOSXQYXGA-UHFFFAOYSA-N 0 1 375.469 3.925 20 5 GHBDMN CCOc1ccc([N+](=O)[O-])cc1CN[C@H]1CN(C(=O)OC(C)(C)C)CC1(C)C ZINC001308537613 1050002402 /nfs/dbraw/zinc/00/24/02/1050002402.db2.gz WUOMZDUPQKRARY-KRWDZBQOSA-N 0 1 393.484 3.729 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCCC[C@H]1C=CCC1 ZINC001309817784 1050987515 /nfs/dbraw/zinc/98/75/15/1050987515.db2.gz QUQUVKZYPMVDLK-JTQLQIEISA-N 0 1 379.265 3.926 20 5 GHBDMN C[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)c1c(F)cccc1F ZINC001309876458 1051018716 /nfs/dbraw/zinc/01/87/16/1051018716.db2.gz IXAMYULCMYFCFB-SSDOTTSWSA-N 0 1 394.758 3.705 20 5 GHBDMN COc1ccc(C[C@H](C)N(C)Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC001330660989 1051058694 /nfs/dbraw/zinc/05/86/94/1051058694.db2.gz HHOUGIFEWACSDD-AWEZNQCLSA-N 0 1 382.420 3.716 20 5 GHBDMN COC(=O)N1CCCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC001337026659 1052381485 /nfs/dbraw/zinc/38/14/85/1052381485.db2.gz UQDGBPPXFFMWDD-UHFFFAOYSA-N 0 1 375.450 3.597 20 5 GHBDMN CN1CCN(c2ccc([N+](=O)[O-])c(NC(=O)c3ccsc3C(F)F)c2)CC1 ZINC001337579161 1052506386 /nfs/dbraw/zinc/50/63/86/1052506386.db2.gz FIJMXYUDBZLENE-UHFFFAOYSA-N 0 1 396.419 3.598 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCN(Cc2ccc(C)cc2)CC1 ZINC001317856351 1054280667 /nfs/dbraw/zinc/28/06/67/1054280667.db2.gz GZTFOMAQGKOMEH-UHFFFAOYSA-N 0 1 398.463 3.652 20 5 GHBDMN COc1ccc(CNC(=O)[C@H]2CCCCN2Cc2cccc(C)c2)cc1[N+](=O)[O-] ZINC001318642842 1054766424 /nfs/dbraw/zinc/76/64/24/1054766424.db2.gz BDRQSXANRADBFC-LJQANCHMSA-N 0 1 397.475 3.583 20 5 GHBDMN CS(=O)(=O)C1(CNCc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CCC1 ZINC001322414450 1056689408 /nfs/dbraw/zinc/68/94/08/1056689408.db2.gz FABOKKCPWQVEBM-UHFFFAOYSA-N 0 1 398.868 3.565 20 5 GHBDMN Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2CCN(C3CCC(C)CC3)CC2)c1F ZINC001444105513 1059265068 /nfs/dbraw/zinc/26/50/68/1059265068.db2.gz PFGBPTTTWQCEDI-UHFFFAOYSA-N 0 1 381.423 3.518 20 5 GHBDMN O=C(N[C@H](c1ccc(Cl)cc1Cl)C(F)(F)F)c1n[nH]cc1[N+](=O)[O-] ZINC001455967707 1062377202 /nfs/dbraw/zinc/37/72/02/1062377202.db2.gz IYNWSQFVOOHNPI-SNVBAGLBSA-N 0 1 383.113 3.658 20 5 GHBDMN Cc1cc(C)c2c(c1)CCN(C(=O)c1cc(-c3ccc([N+](=O)[O-])cc3)[nH]n1)C2 ZINC001457372954 1063120441 /nfs/dbraw/zinc/12/04/41/1063120441.db2.gz BMAUAMKPLSICDS-UHFFFAOYSA-N 0 1 376.416 3.800 20 5 GHBDMN CCN1CCN(c2cc(N(C)C(=O)[C@H](C)c3ccccc3)cc([N+](=O)[O-])c2)CC1 ZINC001438313261 1064028900 /nfs/dbraw/zinc/02/89/00/1064028900.db2.gz AQNBYWXINFMRPS-QGZVFWFLSA-N 0 1 396.491 3.503 20 5 GHBDMN Cc1ccc(CN(Cc2ccco2)C(=O)[C@@H]2CC2[N+](=O)[O-])c(Br)c1 ZINC001459418790 1064092855 /nfs/dbraw/zinc/09/28/55/1064092855.db2.gz MIMCWSIJMLXBGI-GDBMZVCRSA-N 0 1 393.237 3.545 20 5 GHBDMN CCOc1cc(NC(=O)NC[C@H](C)N2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC001466988115 1066430528 /nfs/dbraw/zinc/43/05/28/1066430528.db2.gz CSLVIHJKZHDMRU-HNNXBMFYSA-N 0 1 398.463 3.562 20 5 GHBDMN Cc1ccc([C@@H]2C[C@H](C)N(CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C2)cc1 ZINC001473431538 1067559544 /nfs/dbraw/zinc/55/95/44/1067559544.db2.gz GCVGOTQXQBBMOU-QFBILLFUSA-N 0 1 379.460 3.670 20 5 GHBDMN O=C(Nc1ccc(-n2ccc(=O)[nH]2)cc1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001470670258 1072679388 /nfs/dbraw/zinc/67/93/88/1072679388.db2.gz UBIJPOCSOZLXGH-UHFFFAOYSA-N 0 1 392.293 3.757 20 5 GHBDMN CN(C)c1cc(NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)ccc1Cl ZINC001471982399 1073290305 /nfs/dbraw/zinc/29/03/05/1073290305.db2.gz QYRMOOURECCDQS-UHFFFAOYSA-N 0 1 385.811 3.957 20 5 GHBDMN CCOc1cc(NC[C@@H](C)N2CCN(c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC001472658362 1073600567 /nfs/dbraw/zinc/60/05/67/1073600567.db2.gz DPPBZCHPGGOPLH-QGZVFWFLSA-N 0 1 384.480 3.616 20 5 GHBDMN CCN1CCN(c2ccc(C(=O)Nc3ccc(C)cc3)cc2[N+](=O)[O-])[C@H](C)C1 ZINC001472781385 1073663240 /nfs/dbraw/zinc/66/32/40/1073663240.db2.gz JHBVOSOEWRNXMO-MRXNPFEDSA-N 0 1 382.464 3.686 20 5 GHBDMN Cc1ccc(C[C@@H]2CCCN(CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C2)cc1 ZINC001473133724 1073797189 /nfs/dbraw/zinc/79/71/89/1073797189.db2.gz BITVWDJHSFSBOI-IBGZPJMESA-N 0 1 393.487 3.747 20 5 GHBDMN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001473154217 1073812525 /nfs/dbraw/zinc/81/25/25/1073812525.db2.gz RTUMLLSYPOTURU-QGZVFWFLSA-N 0 1 396.491 3.518 20 5 GHBDMN CCOc1ccc(NC(=O)CN(C)[C@@H](CC)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC001473194367 1073845940 /nfs/dbraw/zinc/84/59/40/1073845940.db2.gz BUSNVENIFGKFQG-KRWDZBQOSA-N 0 1 385.464 3.885 20 5 GHBDMN CCOC(=O)[C@H](Cc1cccc2ccccc21)NCc1cc(O)ccc1[N+](=O)[O-] ZINC001473699902 1074094592 /nfs/dbraw/zinc/09/45/92/1074094592.db2.gz QGUDWDLOSXXWGI-FQEVSTJZSA-N 0 1 394.427 3.718 20 5 GHBDMN Cc1c(NC(=O)[C@@H](C)N2CCN([C@H](C)c3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC001473755458 1074124380 /nfs/dbraw/zinc/12/43/80/1074124380.db2.gz NMQDPUSHZRKWMC-QZTJIDSGSA-N 0 1 396.491 3.609 20 5 GHBDMN COC(=O)c1cc(CNCc2ccc(-c3ccccc3[N+](=O)[O-])o2)n(C)c1C ZINC001474249043 1074310180 /nfs/dbraw/zinc/31/01/80/1074310180.db2.gz YNOLIUURNFMMAQ-UHFFFAOYSA-N 0 1 383.404 3.578 20 5 GHBDMN CC(C)(C)O[C@@H]1C[C@@H](NCc2ccc(Cl)cc2[N+](=O)[O-])[C@H]1n1cccn1 ZINC001474528402 1074451593 /nfs/dbraw/zinc/45/15/93/1074451593.db2.gz MAYYNUHOGSWOOZ-DJIMGWMZSA-N 0 1 378.860 3.732 20 5 GHBDMN CCc1ccc2ccccc2c1CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC001475660221 1074995216 /nfs/dbraw/zinc/99/52/16/1074995216.db2.gz NQKJENKISTXXKI-UHFFFAOYSA-N 0 1 388.420 3.928 20 5 GHBDMN CCOc1cc(CN[C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)ccc1[N+](=O)[O-] ZINC001659943281 1126263958 /nfs/dbraw/zinc/26/39/58/1126263958.db2.gz GSUZQIXUWIGKBH-MAUKXSAKSA-N 0 1 398.381 3.618 20 5 GHBDMN C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830825467 601899109 /nfs/dbraw/zinc/89/91/09/601899109.db2.gz XTFGMLQYSIACAV-HNNXBMFYSA-N 0 1 388.729 3.923 20 5 GHBDMN C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830825467 601899111 /nfs/dbraw/zinc/89/91/11/601899111.db2.gz XTFGMLQYSIACAV-HNNXBMFYSA-N 0 1 388.729 3.923 20 5 GHBDMN CC(C)OC[C@@H](C(=O)[O-])[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000833506374 604765022 /nfs/dbraw/zinc/76/50/22/604765022.db2.gz YWAVCQSEPPLDQL-INIZCTEOSA-N 0 1 396.827 3.818 20 5 GHBDMN CC(C)OC[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000833506374 604765026 /nfs/dbraw/zinc/76/50/26/604765026.db2.gz YWAVCQSEPPLDQL-INIZCTEOSA-N 0 1 396.827 3.818 20 5 GHBDMN Cc1nc(CN2CCCC23CCN(c2ccc([N+](=O)[O-])c(C)n2)CC3)cs1 ZINC001164692914 719803881 /nfs/dbraw/zinc/80/38/81/719803881.db2.gz QMMIQADOXSPMEZ-UHFFFAOYSA-N 0 1 387.509 3.698 20 5 GHBDMN C[C@H](CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)N1CCc2ccccc2C1 ZINC000431769703 837416160 /nfs/dbraw/zinc/41/61/60/837416160.db2.gz ITOOKUYYTKTZTH-MRXNPFEDSA-N 0 1 396.491 3.576 20 5 GHBDMN C[C@H]1CC[N@@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C[C@H]1C(=O)[O-] ZINC000581369463 837517969 /nfs/dbraw/zinc/51/79/69/837517969.db2.gz BLIKPSBBQCGVLD-MAUKXSAKSA-N 0 1 383.448 3.905 20 5 GHBDMN CCC[C@H](N[C@H]1CCN(Cc2ccc(OC)cc2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000180912012 837680622 /nfs/dbraw/zinc/68/06/22/837680622.db2.gz BLJNBHXYAUKURB-SFTDATJTSA-N 0 1 397.475 3.835 20 5 GHBDMN CCN(CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(=O)Nc1c(C)cccc1C ZINC000163451108 834547595 /nfs/dbraw/zinc/54/75/95/834547595.db2.gz SXBQMLVPUZPSRW-UHFFFAOYSA-N 0 1 398.463 3.501 20 5 GHBDMN CN1C(=O)CCc2cc(CNCc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)ccc21 ZINC000278316521 834651905 /nfs/dbraw/zinc/65/19/05/834651905.db2.gz BJKOFICQTCJJEY-UHFFFAOYSA-N 0 1 393.365 3.812 20 5 GHBDMN Cc1ccc(S(=O)(=O)C[C@H](C)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000120203270 834881566 /nfs/dbraw/zinc/88/15/66/834881566.db2.gz HGBMKVGIESWULW-HOTGVXAUSA-N 0 1 376.478 3.725 20 5 GHBDMN CN(C)Cc1ccc(CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1F ZINC000135395918 834892568 /nfs/dbraw/zinc/89/25/68/834892568.db2.gz MLPRUQMLMOMSNH-UHFFFAOYSA-N 0 1 380.807 3.771 20 5 GHBDMN Cc1nc(SCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[nH]c1-c1ccccc1 ZINC000187155658 835075615 /nfs/dbraw/zinc/07/56/15/835075615.db2.gz LQEBZTZWHUJVBJ-UHFFFAOYSA-N 0 1 394.456 3.975 20 5 GHBDMN O=C(Nc1ccc(Oc2ccc(Cl)nn2)cc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000780514050 835119700 /nfs/dbraw/zinc/11/97/00/835119700.db2.gz UCGFQYOPJBNRND-UHFFFAOYSA-N 0 1 386.751 3.788 20 5 GHBDMN Cc1csc(Nc2cccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c2)n1 ZINC000060059863 835979108 /nfs/dbraw/zinc/97/91/08/835979108.db2.gz GQFCFRSVNYTVRP-UHFFFAOYSA-N 0 1 390.446 3.904 20 5 GHBDMN Cc1cc(NC(=O)C2CCN(Cc3ccc(C(C)C)c([N+](=O)[O-])c3)CC2)no1 ZINC000179856636 836084977 /nfs/dbraw/zinc/08/49/77/836084977.db2.gz ZNXVVFGTCZJWIF-UHFFFAOYSA-N 0 1 386.452 3.865 20 5 GHBDMN CCc1ccc([C@@H](NCCN2CCC(OC)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000612410203 836192751 /nfs/dbraw/zinc/19/27/51/836192751.db2.gz DZOXKLXRPZYPKT-NRFANRHFSA-N 0 1 387.480 3.540 20 5 GHBDMN CSc1ccccc1OC[C@H](O)CN(Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000411988622 836475419 /nfs/dbraw/zinc/47/54/19/836475419.db2.gz SEAVUFSMYOBMCR-QGZVFWFLSA-N 0 1 390.505 3.967 20 5 GHBDMN Cc1ccc([C@H](C)NC(=O)NC[C@H](c2cccc(F)c2)N(C)C)cc1[N+](=O)[O-] ZINC000175570704 836711583 /nfs/dbraw/zinc/71/15/83/836711583.db2.gz GLDCWHYSFCDWIO-IFXJQAMLSA-N 0 1 388.443 3.705 20 5 GHBDMN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C)c2)c2ccccc12 ZINC000180214058 836719682 /nfs/dbraw/zinc/71/96/82/836719682.db2.gz DWBHKAGZGLZDAM-UHFFFAOYSA-N 0 1 399.428 3.816 20 5 GHBDMN O=[N+]([O-])c1cccc(OCCN(CCc2ccccn2)Cc2cccnc2)c1 ZINC000430352732 836766845 /nfs/dbraw/zinc/76/68/45/836766845.db2.gz MSPCUNFAJOGIRA-UHFFFAOYSA-N 0 1 378.432 3.509 20 5 GHBDMN O=C(NC1CCN(C2CC2)CC1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000275526576 837169517 /nfs/dbraw/zinc/16/95/17/837169517.db2.gz BIMKOIOIOMTQIO-UHFFFAOYSA-N 0 1 397.425 3.728 20 5 GHBDMN CC[C@H](NCC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccc(OC)c(OC)c1 ZINC000510270383 837265097 /nfs/dbraw/zinc/26/50/97/837265097.db2.gz SBRRDTHJUSESAG-INIZCTEOSA-N 0 1 387.436 3.600 20 5 GHBDMN CC(C)c1nc2c([nH]1)CC[C@H](C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)C2 ZINC000376624963 838605903 /nfs/dbraw/zinc/60/59/03/838605903.db2.gz AZNPSNGAQDOUQL-AWEZNQCLSA-N 0 1 382.464 3.737 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCCC1CC(F)(F)C1 ZINC000416499412 839324545 /nfs/dbraw/zinc/32/45/45/839324545.db2.gz BISVDTZTGQCCFP-UHFFFAOYSA-N 0 1 389.207 3.615 20 5 GHBDMN C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000610446432 839758342 /nfs/dbraw/zinc/75/83/42/839758342.db2.gz YRHAPPSQVJKJKI-OAHLLOKOSA-N 0 1 387.867 3.985 20 5 GHBDMN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](NC[C@H]1CCCO1)c1ccccc1 ZINC000021818391 840513684 /nfs/dbraw/zinc/51/36/84/840513684.db2.gz NROLADMKVGYSAH-CRAIPNDOSA-N 0 1 389.839 3.697 20 5 GHBDMN COc1ccc([C@H](C)CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1 ZINC000176151405 844558651 /nfs/dbraw/zinc/55/86/51/844558651.db2.gz RKKRVTGQEUYVBK-GFCCVEGCSA-N 0 1 381.392 3.521 20 5 GHBDMN Cc1ccc([C@@H](CN2CCOCC2)N[C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000566475269 840811698 /nfs/dbraw/zinc/81/16/98/840811698.db2.gz LRHDEBDUPQKHEP-NHCUHLMSSA-N 0 1 381.476 3.554 20 5 GHBDMN O=[N+]([O-])c1cc(CN[C@@H](CCCO)c2ccccc2)ccc1Br ZINC000124383070 840944390 /nfs/dbraw/zinc/94/43/90/840944390.db2.gz UJQSHXNYXMNXHK-INIZCTEOSA-N 0 1 379.254 3.961 20 5 GHBDMN CN(Cc1cccnc1[N+](=O)[O-])CC1(c2ccc(Br)cc2)CC1 ZINC001167461762 841385660 /nfs/dbraw/zinc/38/56/60/841385660.db2.gz QYUOFNUBONSDBQ-UHFFFAOYSA-N 0 1 376.254 3.916 20 5 GHBDMN COC[C@@](C)(CO)NCc1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000610518976 841866254 /nfs/dbraw/zinc/86/62/54/841866254.db2.gz IEXGQNSWJVSERJ-LJQANCHMSA-N 0 1 376.478 3.541 20 5 GHBDMN CN(C)[C@@H](CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccsc1 ZINC000489831476 861253886 /nfs/dbraw/zinc/25/38/86/861253886.db2.gz BGAIXZCMQKULAP-SFHVURJKSA-N 0 1 388.493 3.633 20 5 GHBDMN Cc1cc(Cl)c(C(=O)N2CCN(C3CCC(C)CC3)CC2)cc1[N+](=O)[O-] ZINC001126142186 842150972 /nfs/dbraw/zinc/15/09/72/842150972.db2.gz DNCLHHTUZQRYNW-UHFFFAOYSA-N 0 1 379.888 3.893 20 5 GHBDMN Cc1[nH]nc(C(=O)N2CCCC[C@H]2c2nc(-c3cccc(F)c3)c[nH]2)c1[N+](=O)[O-] ZINC000276686824 842601154 /nfs/dbraw/zinc/60/11/54/842601154.db2.gz XMBAUCXBQKRZRQ-HNNXBMFYSA-N 0 1 398.398 3.523 20 5 GHBDMN COCC1=CCN(Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)CC1 ZINC000187623162 842743183 /nfs/dbraw/zinc/74/31/83/842743183.db2.gz WVWFXJYNUXYIKO-UHFFFAOYSA-N 0 1 398.459 3.961 20 5 GHBDMN CC[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1OCC(=O)N(C)C ZINC000165700508 843656390 /nfs/dbraw/zinc/65/63/90/843656390.db2.gz ZSJUKQSUQFNBHW-HNAYVOBHSA-N 0 1 385.464 3.864 20 5 GHBDMN C[C@@H](N[C@@H](C)C(=O)Nc1ccccc1OC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000056196580 861451711 /nfs/dbraw/zinc/45/17/11/861451711.db2.gz BMFHEHYWINOXPL-NEPJUHHUSA-N 0 1 379.363 3.874 20 5 GHBDMN CCn1cccc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)c1=O ZINC000433203524 843826662 /nfs/dbraw/zinc/82/66/62/843826662.db2.gz CDFUKKGGYJBEHX-UHFFFAOYSA-N 0 1 387.823 3.980 20 5 GHBDMN C[C@@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C1(S(C)(=O)=O)CC1 ZINC000512851140 843885233 /nfs/dbraw/zinc/88/52/33/843885233.db2.gz MTFCSSXFIAAYIL-LLVKDONJSA-N 0 1 398.868 3.564 20 5 GHBDMN O=C(Nc1ccc(O)cc1)C1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000512586762 844666334 /nfs/dbraw/zinc/66/63/34/844666334.db2.gz LHESXNNHMKVFLW-HWKANZROSA-N 0 1 381.432 3.664 20 5 GHBDMN Cc1ccc([C@H](C)NC(=O)NCc2ccc(F)c(CN(C)C)c2)cc1[N+](=O)[O-] ZINC000176233518 844918980 /nfs/dbraw/zinc/91/89/80/844918980.db2.gz RXPMZHWWHZNYTL-AWEZNQCLSA-N 0 1 388.443 3.664 20 5 GHBDMN CC(C)CN1Cc2cccc(NC(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)c2C1 ZINC000182576905 845491943 /nfs/dbraw/zinc/49/19/43/845491943.db2.gz DTDCOGOFQUIRTE-UHFFFAOYSA-N 0 1 383.404 3.547 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@@H](C)c1cc(C)ccc1OC ZINC000015500094 845601676 /nfs/dbraw/zinc/60/16/76/845601676.db2.gz PHZYEQKIXLOVFD-UONOGXRCSA-N 0 1 387.436 3.598 20 5 GHBDMN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1ccsc1Br ZINC000511035878 845799730 /nfs/dbraw/zinc/79/97/30/845799730.db2.gz ZEMQQQBHSNOUGU-SNVBAGLBSA-N 0 1 398.282 3.926 20 5 GHBDMN COc1cc(OCC(=O)Nc2ccc3nc(C4CCC4)[nH]c3c2)ccc1[N+](=O)[O-] ZINC000119755089 846191781 /nfs/dbraw/zinc/19/17/81/846191781.db2.gz ZAHMSCXSGANYDK-UHFFFAOYSA-N 0 1 396.403 3.765 20 5 GHBDMN COc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2C)N2CCCCC2)cc1 ZINC000511066226 846231594 /nfs/dbraw/zinc/23/15/94/846231594.db2.gz WDUMYLJROHLFLQ-OAQYLSRUSA-N 0 1 397.475 3.869 20 5 GHBDMN Cc1c(NC(=O)CCN(C)Cc2cnn(-c3ccccc3)c2)cccc1[N+](=O)[O-] ZINC000063483314 846370787 /nfs/dbraw/zinc/37/07/87/846370787.db2.gz FYFUXJYOWOXQBG-UHFFFAOYSA-N 0 1 393.447 3.550 20 5 GHBDMN O=C(NCC1(c2ccc(Cl)cc2)CCC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000072087409 846398374 /nfs/dbraw/zinc/39/83/74/846398374.db2.gz IIOROIPYWCUAKW-UHFFFAOYSA-N 0 1 384.823 3.976 20 5 GHBDMN C[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000563285157 846659452 /nfs/dbraw/zinc/65/94/52/846659452.db2.gz XYUKPRYNZXKGGT-MRXNPFEDSA-N 0 1 382.338 3.741 20 5 GHBDMN C[C@H](NC(=O)c1cc(Br)cc2nc[nH]c21)c1cccc([N+](=O)[O-])c1 ZINC000503157094 846850438 /nfs/dbraw/zinc/85/04/38/846850438.db2.gz FLLXGUMDKLETDQ-VIFPVBQESA-N 0 1 389.209 3.725 20 5 GHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc3[nH]ccc32)cc1Br ZINC000171180444 861733777 /nfs/dbraw/zinc/73/37/77/861733777.db2.gz ZESPXNZWGKQMPU-UHFFFAOYSA-N 0 1 396.222 3.639 20 5 GHBDMN COc1cccc([C@@H]2[C@H](NC(=O)c3cccc([N+](=O)[O-])c3C)CCN2C2CC2)c1 ZINC000183274980 847025703 /nfs/dbraw/zinc/02/57/03/847025703.db2.gz KTKGYEUBMIORGN-TZIWHRDSSA-N 0 1 395.459 3.620 20 5 GHBDMN C[C@@H]1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000502079734 847447183 /nfs/dbraw/zinc/44/71/83/847447183.db2.gz RZSLFLGSCFTGMY-OAHLLOKOSA-N 0 1 387.867 3.985 20 5 GHBDMN COc1ccc(OCCN2CCC(N3CCc4ccccc43)CC2)c([N+](=O)[O-])c1 ZINC000503349996 847614599 /nfs/dbraw/zinc/61/45/99/847614599.db2.gz UQSVFCGSPYBLRG-UHFFFAOYSA-N 0 1 397.475 3.509 20 5 GHBDMN CCc1[nH]nc(C(=O)N2CC=C(c3ccccc3C(F)(F)F)CC2)c1[N+](=O)[O-] ZINC000479386929 847624169 /nfs/dbraw/zinc/62/41/69/847624169.db2.gz IBKBXWAAGKEUIN-UHFFFAOYSA-N 0 1 394.353 3.829 20 5 GHBDMN COc1cccc([C@H](CNC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)N(C)C)c1 ZINC000127901144 847633509 /nfs/dbraw/zinc/63/35/09/847633509.db2.gz VOFWYCJJGKBGCG-SFHVURJKSA-N 0 1 386.452 3.645 20 5 GHBDMN O=[N+]([O-])c1ccc2ncnc(Sc3nc(-c4cc(F)cc(F)c4)n[nH]3)c2c1 ZINC000611706968 848041994 /nfs/dbraw/zinc/04/19/94/848041994.db2.gz KSGYRBIMVVGISU-UHFFFAOYSA-N 0 1 386.343 3.753 20 5 GHBDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])n[nH]1 ZINC000277916027 848465683 /nfs/dbraw/zinc/46/56/83/848465683.db2.gz RBOSPAKVXFDSPZ-DTWKUNHWSA-N 0 1 385.346 3.736 20 5 GHBDMN COc1ccc(OC)c(NC(=O)[C@@H](C)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000178689616 848548269 /nfs/dbraw/zinc/54/82/69/848548269.db2.gz RQUQYHUGUUKDAU-ZIAGYGMSSA-N 0 1 387.436 3.598 20 5 GHBDMN Cc1cc(N2CCC(C(=O)N3CCC(C)CC3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000272897829 861950134 /nfs/dbraw/zinc/95/01/34/861950134.db2.gz ZEUVNYAFFRIOFZ-UHFFFAOYSA-N 0 1 396.491 3.926 20 5 GHBDMN C[N@@H+](Cc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1)C1CCCCC1 ZINC000604193238 861957315 /nfs/dbraw/zinc/95/73/15/861957315.db2.gz JSVKWLFZEALCAO-UHFFFAOYSA-N 0 1 397.475 3.995 20 5 GHBDMN COc1ccc(NC(=O)[C@H](C)N2CC[C@@H](c3ccccc3)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000434907507 849891383 /nfs/dbraw/zinc/89/13/83/849891383.db2.gz XONCQNJWPMPQPQ-RLFYNMQTSA-N 0 1 383.448 3.808 20 5 GHBDMN Cc1sc(S(=O)(=O)N[C@H](c2ccccc2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000545938431 849909444 /nfs/dbraw/zinc/90/94/44/849909444.db2.gz DLZFTCKXLYCKRU-GFCCVEGCSA-N 0 1 380.369 3.547 20 5 GHBDMN CCc1cc(N[C@H](C)c2n[nH]c([C@@H](C)CC)n2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000486794894 850102600 /nfs/dbraw/zinc/10/26/00/850102600.db2.gz ACGWOUJFOIMUQI-QWHCGFSZSA-N 0 1 395.467 3.841 20 5 GHBDMN CN(C)[C@H](CNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cccc(F)c1 ZINC000437952422 850330874 /nfs/dbraw/zinc/33/08/74/850330874.db2.gz JOWBAFGYPPEXAT-MRXNPFEDSA-N 0 1 399.344 3.785 20 5 GHBDMN COc1ccc(CSCc2nc(C3(N)CCCCC3)no2)cc1[N+](=O)[O-] ZINC000424339727 850397496 /nfs/dbraw/zinc/39/74/96/850397496.db2.gz DSXYPWLTDWRHRM-UHFFFAOYSA-N 0 1 378.454 3.538 20 5 GHBDMN O=C(Nc1cccc(CN2CCSCC2)c1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000061571481 862191125 /nfs/dbraw/zinc/19/11/25/862191125.db2.gz ZXLXHECRFLIPJR-UHFFFAOYSA-N 0 1 396.472 3.877 20 5 GHBDMN Cc1cc(Br)ccc1CN(C)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000434342725 851017226 /nfs/dbraw/zinc/01/72/26/851017226.db2.gz SWKPMSLIELVAQY-UHFFFAOYSA-N 0 1 395.257 3.784 20 5 GHBDMN Cc1ccc([C@@H](C)NC(=O)c2ccc(Nc3ccncc3)cc2)cc1[N+](=O)[O-] ZINC000488038164 851097697 /nfs/dbraw/zinc/09/76/97/851097697.db2.gz YMWVZXWFVFKOOK-OAHLLOKOSA-N 0 1 376.416 3.955 20 5 GHBDMN C[C@H](c1ccccc1Br)N(C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000505753066 851183267 /nfs/dbraw/zinc/18/32/67/851183267.db2.gz NFQBUOQGLYYIBF-SNVBAGLBSA-N 0 1 379.210 3.896 20 5 GHBDMN Cc1ccc(Oc2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cn2)cc1 ZINC000515630916 851272505 /nfs/dbraw/zinc/27/25/05/851272505.db2.gz MMDFQMRDOMSBJL-UHFFFAOYSA-N 0 1 385.401 3.891 20 5 GHBDMN CCCOc1cc(C)ccc1NS(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000488227029 851292721 /nfs/dbraw/zinc/29/27/21/851292721.db2.gz DRYYOAGSOSRUIG-UHFFFAOYSA-N 0 1 398.412 3.641 20 5 GHBDMN O=C(CCC(F)(F)F)N1CCC[C@@H](NCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000894445045 851321973 /nfs/dbraw/zinc/32/19/73/851321973.db2.gz MFLIDVUCJWZWKM-CYBMUJFWSA-N 0 1 393.793 3.671 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCc2c(Cl)cccc2C1 ZINC000133835109 851490497 /nfs/dbraw/zinc/49/04/97/851490497.db2.gz JVCSRPMAKJEKDS-UHFFFAOYSA-N 0 1 389.839 3.644 20 5 GHBDMN CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000505799758 851496974 /nfs/dbraw/zinc/49/69/74/851496974.db2.gz VRRTUPGNRLOJAW-UHFFFAOYSA-N 0 1 398.394 3.534 20 5 GHBDMN Cc1cccc(NC[C@@H]2CCN(c3cc(C(F)(F)F)ncc3[N+](=O)[O-])C2)n1 ZINC000436403745 851577278 /nfs/dbraw/zinc/57/72/78/851577278.db2.gz BPCORWKXOBLSGC-LBPRGKRZSA-N 0 1 381.358 3.650 20 5 GHBDMN Cc1ccc(C=Cc2n[nH]c(S[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)n2)o1 ZINC000514338674 851615890 /nfs/dbraw/zinc/61/58/90/851615890.db2.gz SWXBHHBUOXNOQJ-ZWLSGLHFSA-N 0 1 399.432 3.904 20 5 GHBDMN O=[N+]([O-])c1ccn(C2CCN(Cc3ccccc3Oc3cccnc3)CC2)n1 ZINC000488746802 851746917 /nfs/dbraw/zinc/74/69/17/851746917.db2.gz NRGPYTZJAQFOIX-UHFFFAOYSA-N 0 1 379.420 3.816 20 5 GHBDMN O=C(Nc1ccnn1[C@H]1CCCc2ccccc21)c1cc(O)cc([N+](=O)[O-])c1 ZINC000506171157 851956479 /nfs/dbraw/zinc/95/64/79/851956479.db2.gz CQCBXUGNXCHJCH-SFHVURJKSA-N 0 1 378.388 3.675 20 5 GHBDMN CC(C)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)CCN1C ZINC000489310744 852209653 /nfs/dbraw/zinc/20/96/53/852209653.db2.gz DHYNYQNXOULNPS-NRFANRHFSA-N 0 1 396.491 3.619 20 5 GHBDMN C[C@H](NC(=O)CCOc1ccccc1[N+](=O)[O-])c1nc2ccc(Cl)cc2[nH]1 ZINC000732541368 862342471 /nfs/dbraw/zinc/34/24/71/862342471.db2.gz LBKYAMUFWKYOFC-NSHDSACASA-N 0 1 388.811 3.771 20 5 GHBDMN CCN(CC)[C@@H](CNC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccco1 ZINC000489439626 852341375 /nfs/dbraw/zinc/34/13/75/852341375.db2.gz ZBLYOHQVWTWUOM-YJBOKZPZSA-N 0 1 388.468 3.940 20 5 GHBDMN CC[N@@H+](CCC1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CC1)CC(C)C ZINC000436813907 852374695 /nfs/dbraw/zinc/37/46/95/852374695.db2.gz JEIXGVKJXXXBSN-UHFFFAOYSA-N 0 1 377.485 3.521 20 5 GHBDMN O=C([O-])[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)c1ccc(O)cc1 ZINC000426801880 852411910 /nfs/dbraw/zinc/41/19/10/852411910.db2.gz WGLAOEZOKFNYES-GOSISDBHSA-N 0 1 384.413 3.944 20 5 GHBDMN Cc1cc(F)cc([C@@]2(F)CCN(C(=O)c3[nH]nc4ccc([N+](=O)[O-])cc43)C2)c1 ZINC000506344886 852805966 /nfs/dbraw/zinc/80/59/66/852805966.db2.gz CIIZAGGKJKEXLA-LJQANCHMSA-N 0 1 386.358 3.630 20 5 GHBDMN Cc1c(Cl)cc(S(=O)(=O)Nc2ccccc2-c2cn[nH]c2)cc1[N+](=O)[O-] ZINC000438808687 852890589 /nfs/dbraw/zinc/89/05/89/852890589.db2.gz CHYPSINOEYQLPH-UHFFFAOYSA-N 0 1 392.824 3.748 20 5 GHBDMN C[C@@H]1CCc2sc(C(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)n[nH]3)cc2C1 ZINC000490400357 853011122 /nfs/dbraw/zinc/01/11/22/853011122.db2.gz QGAQELRBRBWRKY-SNVBAGLBSA-N 0 1 383.433 3.819 20 5 GHBDMN CN(C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccc(F)cc1 ZINC000518404545 853307056 /nfs/dbraw/zinc/30/70/56/853307056.db2.gz YJPNWMRVTNGAEN-INIZCTEOSA-N 0 1 399.344 3.785 20 5 GHBDMN COc1cccc(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1OC1CCCC1 ZINC000506500172 853359986 /nfs/dbraw/zinc/35/99/86/853359986.db2.gz ONSFYYFMCWEAMG-UHFFFAOYSA-N 0 1 386.404 3.560 20 5 GHBDMN CC[C@@H](N[C@@H](C)c1cccc(NS(C)(=O)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000164258673 853798440 /nfs/dbraw/zinc/79/84/40/853798440.db2.gz PISXIIHDWRWHTM-SCLBCKFNSA-N 0 1 377.466 3.768 20 5 GHBDMN O=[N+]([O-])c1ccc(Cl)cc1CNCCOc1ccc(C(F)(F)F)cn1 ZINC000760702528 854398404 /nfs/dbraw/zinc/39/84/04/854398404.db2.gz XBFBSIQMSDGROI-UHFFFAOYSA-N 0 1 375.734 3.831 20 5 GHBDMN NC(=O)[C@@H]1CCCN1Cc1cccc(N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000253354858 854941687 /nfs/dbraw/zinc/94/16/87/854941687.db2.gz MUJRIJVEBTZQBK-RTWAWAEBSA-N 0 1 394.475 3.534 20 5 GHBDMN COc1cccc([C@H]2[C@H](NC(=O)c3ccc(C)c([N+](=O)[O-])c3)CCN2C2CC2)c1 ZINC000482049038 862641200 /nfs/dbraw/zinc/64/12/00/862641200.db2.gz ZIVDUWWCFYFBIW-CTNGQTDRSA-N 0 1 395.459 3.620 20 5 GHBDMN CC(C)(C)c1ccc(C(=O)N[C@@H](c2nnc[nH]2)c2ccccc2)cc1[N+](=O)[O-] ZINC000542673824 855248684 /nfs/dbraw/zinc/24/86/84/855248684.db2.gz KXCQMIMEFYWOOP-QGZVFWFLSA-N 0 1 379.420 3.530 20 5 GHBDMN C[C@H](N[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1nccn1-c1ccccc1 ZINC000554374568 855892880 /nfs/dbraw/zinc/89/28/80/855892880.db2.gz YUEDISHQHYQFCB-JQHSSLGASA-N 0 1 380.452 3.812 20 5 GHBDMN Cc1ccc(C=Cc2n[nH]c(SCC(=O)Nc3ccccc3[N+](=O)[O-])n2)o1 ZINC000591374730 855955989 /nfs/dbraw/zinc/95/59/89/855955989.db2.gz YZKCUJJYTNGEBT-CMDGGOBGSA-N 0 1 385.405 3.516 20 5 GHBDMN COc1ccc(NS(=O)(=O)c2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000554727340 856015037 /nfs/dbraw/zinc/01/50/37/856015037.db2.gz ORYKAPVWLWBAKT-UHFFFAOYSA-N 0 1 377.205 3.711 20 5 GHBDMN CC(C)(C)C1=CCN(CCNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000485361197 856400212 /nfs/dbraw/zinc/40/02/12/856400212.db2.gz VMXLAKZDGZQKAK-UHFFFAOYSA-N 0 1 379.888 3.585 20 5 GHBDMN CN(C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)c1cccc(C(F)(F)F)c1 ZINC000184841624 856454801 /nfs/dbraw/zinc/45/48/01/856454801.db2.gz OEMDFUQQCUICAB-MRXNPFEDSA-N 0 1 399.344 3.785 20 5 GHBDMN CCOc1ccc(NC(=O)CN(C)[C@H]2CC[C@@H](SCC)C2)c([N+](=O)[O-])c1 ZINC000245457711 856874492 /nfs/dbraw/zinc/87/44/92/856874492.db2.gz UKRMAMAQNWFNAA-DZGCQCFKSA-N 0 1 381.498 3.538 20 5 GHBDMN COc1cccc([C@H]2[C@@H](NC(=O)c3cccc(C)c3[N+](=O)[O-])CCN2C2CC2)c1 ZINC000245534462 856937547 /nfs/dbraw/zinc/93/75/47/856937547.db2.gz DYUKCQLBCKWWIO-FPOVZHCZSA-N 0 1 395.459 3.620 20 5 GHBDMN O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@@H](c1c[nH]c2ccccc21)C(F)(F)F ZINC000508113191 856940876 /nfs/dbraw/zinc/94/08/76/856940876.db2.gz QPEBLGROLPRWQH-HNNXBMFYSA-N 0 1 399.350 3.658 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1C(=O)N(C(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000592695313 857027866 /nfs/dbraw/zinc/02/78/66/857027866.db2.gz YQSROXHZDTYHPC-LJQANCHMSA-N 0 1 397.475 3.729 20 5 GHBDMN CC[C@@](C)(NCCC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1nc(C)cs1 ZINC000173938187 857184739 /nfs/dbraw/zinc/18/47/39/857184739.db2.gz IIIQNWMZDDOYAE-GOSISDBHSA-N 0 1 376.482 3.912 20 5 GHBDMN Cc1nc(C(C)(C)NCCC(=O)Nc2ccc([N+](=O)[O-])cc2C)sc1C ZINC000173954533 857186650 /nfs/dbraw/zinc/18/66/50/857186650.db2.gz LVYAOVZWRUSYBX-UHFFFAOYSA-N 0 1 376.482 3.830 20 5 GHBDMN O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000041941681 857321346 /nfs/dbraw/zinc/32/13/46/857321346.db2.gz NYWKWBKPPKKHKT-LJQANCHMSA-N 0 1 387.867 3.744 20 5 GHBDMN C[C@H](N[C@H]1CCO[C@H]1c1ccc(Cl)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000249082458 862944559 /nfs/dbraw/zinc/94/45/59/862944559.db2.gz RVJPLWMBBMIJIK-IGNZVWTISA-N 0 1 389.839 3.695 20 5 GHBDMN O=C(NCCc1ccc(Br)cc1Cl)c1cc(O)cc([N+](=O)[O-])c1 ZINC000521304381 857851388 /nfs/dbraw/zinc/85/13/88/857851388.db2.gz ZBGBZFWATQCXEU-UHFFFAOYSA-N 0 1 399.628 3.689 20 5 GHBDMN CC(C)Oc1nc(N(C)C2CCN(CCC(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000521462891 858018451 /nfs/dbraw/zinc/01/84/51/858018451.db2.gz PRTDUUQKQILUTR-UHFFFAOYSA-N 0 1 390.406 3.630 20 5 GHBDMN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000066434503 858119919 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/nfs/dbraw/zinc/09/82/63/868098263.db2.gz BOFZGROPDFIPAA-UHFFFAOYSA-N 0 1 388.387 3.638 20 5 GHBDMN Cc1[nH]nc(C(=O)N2CCCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)c1[N+](=O)[O-] ZINC000457350503 868152529 /nfs/dbraw/zinc/15/25/29/868152529.db2.gz CSLPUWASSGUSRU-CYBMUJFWSA-N 0 1 388.815 3.523 20 5 GHBDMN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCN(CCCCCO)CC2)s1 ZINC000524276445 868844769 /nfs/dbraw/zinc/84/47/69/868844769.db2.gz OLJQVPUZAOQTKT-UHFFFAOYSA-N 0 1 389.521 3.604 20 5 GHBDMN CC[C@@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1ccncc1 ZINC000462341895 869261014 /nfs/dbraw/zinc/26/10/14/869261014.db2.gz QQTWTYCQTUZKQR-GFCCVEGCSA-N 0 1 390.248 3.726 20 5 GHBDMN O=[N+]([O-])c1ccc(NS(=O)(=O)c2cc(F)cc(Cl)c2)c2cccnc21 ZINC000462378547 869323584 /nfs/dbraw/zinc/32/35/84/869323584.db2.gz FVKOBWLBMGPPLS-UHFFFAOYSA-N 0 1 381.772 3.736 20 5 GHBDMN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](C)N1CCc2ccccc2C1 ZINC000462416596 869398935 /nfs/dbraw/zinc/39/89/35/869398935.db2.gz KGTZLQLNAPIBIC-MJGOQNOKSA-N 0 1 395.503 3.727 20 5 GHBDMN Cc1ccccc1CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462482337 869522772 /nfs/dbraw/zinc/52/27/72/869522772.db2.gz WMZNMBVWVLRQAH-UHFFFAOYSA-N 0 1 375.233 3.689 20 5 GHBDMN C[C@H](N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000539678512 869602352 /nfs/dbraw/zinc/60/23/52/869602352.db2.gz LHKOXOXDSLTKNL-GTNSWQLSSA-N 0 1 377.803 3.843 20 5 GHBDMN COc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000022102007 869690606 /nfs/dbraw/zinc/69/06/06/869690606.db2.gz PWKNHOYQHQTICR-NSHDSACASA-N 0 1 399.432 3.508 20 5 GHBDMN O=[N+]([O-])c1ccc(CN2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)c(F)c1 ZINC000539763634 869735319 /nfs/dbraw/zinc/73/53/19/869735319.db2.gz VEHWPDHZYICCCQ-INIZCTEOSA-N 0 1 381.411 3.899 20 5 GHBDMN CCCN(C(=O)c1n[nH]c(C)c1[N+](=O)[O-])[C@@H]1C[C@H](OCC)C12CCCCC2 ZINC000525083451 869974241 /nfs/dbraw/zinc/97/42/41/869974241.db2.gz HUXNFGIRQKHYOO-CABCVRRESA-N 0 1 378.473 3.606 20 5 GHBDMN Cc1c([C@@H](C)N[C@H]2CC(=O)N(c3c(F)cccc3F)C2)cccc1[N+](=O)[O-] ZINC000539969083 870130416 /nfs/dbraw/zinc/13/04/16/870130416.db2.gz LSINSTPUJCBHQR-OLZOCXBDSA-N 0 1 375.375 3.638 20 5 GHBDMN C[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)[C@H](C)CN1Cc1ccccc1 ZINC000766439347 870768994 /nfs/dbraw/zinc/76/89/94/870768994.db2.gz BOVYMMPMCFYIAA-HZPDHXFCSA-N 0 1 394.475 3.579 20 5 GHBDMN C[C@H](C(=O)Nc1nc2ccc(Br)cc2[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000617739616 870842481 /nfs/dbraw/zinc/84/24/81/870842481.db2.gz QSGQUTXPKPLHJK-VIFPVBQESA-N 0 1 389.209 3.976 20 5 GHBDMN COC(=O)[C@@H]1CCCC[C@@]1(C)NCc1c(Br)cccc1[N+](=O)[O-] ZINC001193032546 870856785 /nfs/dbraw/zinc/85/67/85/870856785.db2.gz DWZFWGSYKUOYOP-BLLLJJGKSA-N 0 1 385.258 3.569 20 5 GHBDMN CC(C)Oc1cccc([C@H](C)N[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000540327661 871030248 /nfs/dbraw/zinc/03/02/48/871030248.db2.gz SGFQULMGAPWZKX-MGPUTAFESA-N 0 1 383.448 3.838 20 5 GHBDMN CCOc1ccccc1[C@H](CC)N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000540351753 871044212 /nfs/dbraw/zinc/04/42/12/871044212.db2.gz MOPAXWPSNCEKRR-RBUKOAKNSA-N 0 1 383.448 3.840 20 5 GHBDMN C[C@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(OCC2CC2)c(F)c1 ZINC000181574627 871203356 /nfs/dbraw/zinc/20/33/56/871203356.db2.gz ZFUMAYBIHDFBOW-ZDUSSCGKSA-N 0 1 387.411 3.812 20 5 GHBDMN CC(C)(C)c1ccc(CNS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)o1 ZINC001193668659 871225674 /nfs/dbraw/zinc/22/56/74/871225674.db2.gz JEKGPTBAJUQJSW-UHFFFAOYSA-N 0 1 390.820 3.756 20 5 GHBDMN O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@@H](c2cccc(Cl)c2)C(F)F)c1 ZINC001194053010 871467270 /nfs/dbraw/zinc/46/72/70/871467270.db2.gz NXZRBUGTCLXVHM-AWEZNQCLSA-N 0 1 390.795 3.674 20 5 GHBDMN COc1ccc(NC(=O)CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1Cl ZINC000181814814 871504866 /nfs/dbraw/zinc/50/48/66/871504866.db2.gz XOWQEMGPOUUBDN-LBPRGKRZSA-N 0 1 377.828 3.855 20 5 GHBDMN COc1ccc([C@@H](CNc2ccc([N+](=O)[O-])cc2C(C)=O)N(C)C)cc1OC ZINC000804323974 871519164 /nfs/dbraw/zinc/51/91/64/871519164.db2.gz AAEVYWUQWXTIHV-GOSISDBHSA-N 0 1 387.436 3.529 20 5 GHBDMN O=[N+]([O-])c1cc(CN[C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)cs1 ZINC000540609576 871706524 /nfs/dbraw/zinc/70/65/24/871706524.db2.gz VVHAXZSFSLDBRW-GFCCVEGCSA-N 0 1 387.383 3.923 20 5 GHBDMN CN(C)[C@@H]1CCOc2c(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cccc21 ZINC000447720011 872202251 /nfs/dbraw/zinc/20/22/51/872202251.db2.gz ALJHCBPJCVGWCJ-MRXNPFEDSA-N 0 1 375.812 3.886 20 5 GHBDMN O=C(CSc1n[nH]c(CCC2CCCC2)n1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000012104466 882629425 /nfs/dbraw/zinc/62/94/25/882629425.db2.gz YJGDNNWUQULIET-UHFFFAOYSA-N 0 1 393.444 3.706 20 5 GHBDMN O=[N+]([O-])c1cc(CN[C@H](CO)[C@@H]2CCCO2)ccc1Oc1ccccc1Cl ZINC000447975870 872593139 /nfs/dbraw/zinc/59/31/39/872593139.db2.gz IGSLUUPSBUOOTQ-QAPCUYQASA-N 0 1 392.839 3.670 20 5 GHBDMN O=C(CSc1nc(CCC2CCCC2)n[nH]1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000012104466 882629439 /nfs/dbraw/zinc/62/94/39/882629439.db2.gz YJGDNNWUQULIET-UHFFFAOYSA-N 0 1 393.444 3.706 20 5 GHBDMN CCOc1cc(N2CCN(Cc3nccc4ccccc43)CC2)ccc1[N+](=O)[O-] ZINC000619432760 872645234 /nfs/dbraw/zinc/64/52/34/872645234.db2.gz NRLRUKODIOGFJD-UHFFFAOYSA-N 0 1 392.459 3.864 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCc2ccccc2[C@@H](C)C1 ZINC001195808873 872678943 /nfs/dbraw/zinc/67/89/43/872678943.db2.gz DKUAVKCZSRGNRG-LSDHHAIUSA-N 0 1 383.448 3.592 20 5 GHBDMN O=[N+]([O-])c1ccc(CN[C@H]2CCN(c3ccccc3Br)C2)c(F)c1 ZINC000478234523 872701079 /nfs/dbraw/zinc/70/10/79/872701079.db2.gz RKHVSTUTPXVYJC-ZDUSSCGKSA-N 0 1 394.244 3.865 20 5 GHBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCC[C@H]([C@@H](C)O)C2)cc1OC ZINC000541059428 872816948 /nfs/dbraw/zinc/81/69/48/872816948.db2.gz GIPXEAYLEHPOFD-XHSDSOJGSA-N 0 1 380.485 3.621 20 5 GHBDMN CCOc1ccc(CN2CCN(c3ccc([N+](=O)[O-])c4cnccc43)CC2)cc1 ZINC000198107694 872886990 /nfs/dbraw/zinc/88/69/90/872886990.db2.gz LMCLRGNFKFHKLH-UHFFFAOYSA-N 0 1 392.459 3.864 20 5 GHBDMN Cc1ccc2nc(CNC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)[nH]c2c1 ZINC000491310295 873117326 /nfs/dbraw/zinc/11/73/26/873117326.db2.gz ATRTVRDFZHUVAT-UHFFFAOYSA-N 0 1 379.420 3.654 20 5 GHBDMN Cc1cc(S(=O)(=O)Nc2ccccc2OCC2CC2)cc([N+](=O)[O-])c1F ZINC000768280884 873229448 /nfs/dbraw/zinc/22/94/48/873229448.db2.gz YYSLQFDMRWFPBP-UHFFFAOYSA-N 0 1 380.397 3.632 20 5 GHBDMN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000541261312 873231028 /nfs/dbraw/zinc/23/10/28/873231028.db2.gz DVSNWIJEUFTVPQ-QGZVFWFLSA-N 0 1 399.516 3.810 20 5 GHBDMN Cc1cc([C@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C2CC2)ccc1F ZINC000541325479 873373356 /nfs/dbraw/zinc/37/33/56/873373356.db2.gz MRHMSZKWTZRLIV-LJQANCHMSA-N 0 1 392.452 3.557 20 5 GHBDMN Cc1cc(C(=O)Nc2cc3nc4ccccc4nc3cc2N)nn1-c1ccncc1 ZINC001197533892 873862045 /nfs/dbraw/zinc/86/20/45/873862045.db2.gz COUZSVLUUQCWSH-UHFFFAOYSA-N 0 1 395.426 3.507 20 5 GHBDMN C[C@@H]1CN(Cc2cccc(Nc3ncnc4cccc([N+](=O)[O-])c43)c2)C[C@H](C)O1 ZINC000541577779 873900227 /nfs/dbraw/zinc/90/02/27/873900227.db2.gz YSJSNNCYBFWJAY-GASCZTMLSA-N 0 1 393.447 3.891 20 5 GHBDMN C[C@H](NCC(=O)Nc1ccc(Br)cc1F)c1ccc([N+](=O)[O-])cc1 ZINC001197657260 873951340 /nfs/dbraw/zinc/95/13/40/873951340.db2.gz AIRVMQZCALINEW-JTQLQIEISA-N 0 1 396.216 3.786 20 5 GHBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000770575782 874763602 /nfs/dbraw/zinc/76/36/02/874763602.db2.gz SSLSMNFEENTMAA-UHFFFAOYSA-N 0 1 382.376 3.524 20 5 GHBDMN COc1cc(CN(C)[C@H]2C[C@@H](OC)C23CCC3)c([N+](=O)[O-])cc1OC(F)F ZINC000449627818 875149628 /nfs/dbraw/zinc/14/96/28/875149628.db2.gz AUGMDTWPPMYNMM-JKSUJKDBSA-N 0 1 386.395 3.594 20 5 GHBDMN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N(C[C@@H]1CCCO1)C1CCCC1 ZINC000450009830 875813307 /nfs/dbraw/zinc/81/33/07/875813307.db2.gz HWRRDXWCYWCLPQ-KRWDZBQOSA-N 0 1 384.436 3.549 20 5 GHBDMN Cc1c(NC(=O)[C@@H](C)N(C)CCCOc2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000030268908 875948706 /nfs/dbraw/zinc/94/87/06/875948706.db2.gz ZJUAWWGSYZFZDH-OAHLLOKOSA-N 0 1 389.427 3.770 20 5 GHBDMN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccccc1N1CCCCC1 ZINC000030529850 876202873 /nfs/dbraw/zinc/20/28/73/876202873.db2.gz DWSUDNUSMFPVGD-UHFFFAOYSA-N 0 1 375.450 3.694 20 5 GHBDMN NS(=O)(=O)[C@@H]1CCCN(Cc2c3ccccc3c(Cl)c3ccccc32)C1 ZINC000785979754 876381564 /nfs/dbraw/zinc/38/15/64/876381564.db2.gz SSKLUCJUHDHTCW-CQSZACIVSA-N 0 1 388.920 3.899 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000850429229 876912600 /nfs/dbraw/zinc/91/26/00/876912600.db2.gz WVCAZXZJTJKDMS-KBPBESRZSA-N 0 1 385.420 3.972 20 5 GHBDMN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000443967991 877118918 /nfs/dbraw/zinc/11/89/18/877118918.db2.gz CSPZFJAZRIMQFQ-UHFFFAOYSA-N 0 1 382.464 3.951 20 5 GHBDMN CN(CCCOc1ccc([N+](=O)[O-])cc1)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000610001741 877273448 /nfs/dbraw/zinc/27/34/48/877273448.db2.gz RRIAQPBRIHSXBN-OAQYLSRUSA-N 0 1 398.438 3.958 20 5 GHBDMN CCCn1ncc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1C1CC1 ZINC000451089796 877351909 /nfs/dbraw/zinc/35/19/09/877351909.db2.gz FRVSPLLROUFCDI-UHFFFAOYSA-N 0 1 384.845 3.533 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1CN1CCCC[C@@H]1CCNC(=O)OC(C)(C)C ZINC001170074668 877460071 /nfs/dbraw/zinc/46/00/71/877460071.db2.gz LBXUUBPNOHOOCP-MRXNPFEDSA-N 0 1 393.484 3.873 20 5 GHBDMN CC(C)(C)OC(=O)N1CCC[C@]2(CCN2CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000787994284 877763794 /nfs/dbraw/zinc/76/37/94/877763794.db2.gz FWOZRFCPWGLJDS-FQEVSTJZSA-N 0 1 375.469 3.613 20 5 GHBDMN O=C1c2cccc([N+](=O)[O-])c2C(=O)N1CNC1(c2ccc(Cl)cc2)CCCC1 ZINC000110082347 877834790 /nfs/dbraw/zinc/83/47/90/877834790.db2.gz XMWDXEYRVXVQCQ-UHFFFAOYSA-N 0 1 399.834 3.861 20 5 GHBDMN O=C(CN1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000451546370 878119576 /nfs/dbraw/zinc/11/95/76/878119576.db2.gz JDGQMQCIDSPGAZ-JKSUJKDBSA-N 0 1 399.413 3.575 20 5 GHBDMN C[C@@H](NCc1cc2c(c(Br)c1)OCO2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788563058 878155197 /nfs/dbraw/zinc/15/51/97/878155197.db2.gz JZPHYACVERNTBV-SECBINFHSA-N 0 1 394.225 3.519 20 5 GHBDMN C[C@@H](NCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C(=O)N(C)C ZINC000530729816 878359806 /nfs/dbraw/zinc/35/98/06/878359806.db2.gz PPUHJZLGNMPAGN-GFCCVEGCSA-N 0 1 377.828 3.607 20 5 GHBDMN O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000609161219 878856736 /nfs/dbraw/zinc/85/67/36/878856736.db2.gz CVYDTPJEUSOALC-QFIPXVFZSA-N 0 1 386.411 3.919 20 5 GHBDMN C[C@@H](NCC(=O)N(Cc1ccccc1)CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000538176848 878980762 /nfs/dbraw/zinc/98/07/62/878980762.db2.gz NZHFERZJGVRGGT-CQSZACIVSA-N 0 1 395.381 3.837 20 5 GHBDMN C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761516109 879218050 /nfs/dbraw/zinc/21/80/50/879218050.db2.gz YYLOJNVXQPVIGI-TZMCWYRMSA-N 0 1 383.876 3.983 20 5 GHBDMN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCCN(Cc2ccccc2)C1=O ZINC000790271218 879583140 /nfs/dbraw/zinc/58/31/40/879583140.db2.gz IBKCSZSOFGRDDZ-NRFANRHFSA-N 0 1 381.476 3.996 20 5 GHBDMN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000031565842 879702479 /nfs/dbraw/zinc/70/24/79/879702479.db2.gz BFRZERIAQAAZOB-WMZOPIPTSA-N 0 1 399.516 3.856 20 5 GHBDMN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000494048582 879852480 /nfs/dbraw/zinc/85/24/80/879852480.db2.gz LGTKWZSBOMRSGP-GUXCAODWSA-N 0 1 399.516 3.855 20 5 GHBDMN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000494048584 879852927 /nfs/dbraw/zinc/85/29/27/879852927.db2.gz LGTKWZSBOMRSGP-TWOQFEAHSA-N 0 1 399.516 3.855 20 5 GHBDMN CN(C)[C@H]1CCOc2c(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cccc21 ZINC000791044828 880170246 /nfs/dbraw/zinc/17/02/46/880170246.db2.gz PVYKLVFJZNYHIA-HNNXBMFYSA-N 0 1 375.812 3.886 20 5 GHBDMN O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@H]1CCc2nc(C3CCCCC3)[nH]c2C1 ZINC000791271466 880297515 /nfs/dbraw/zinc/29/75/15/880297515.db2.gz INGSLAPYCBBUOI-INIZCTEOSA-N 0 1 382.464 3.582 20 5 GHBDMN COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)cc1F ZINC000791433260 880401806 /nfs/dbraw/zinc/40/18/06/880401806.db2.gz STDFAALFODPTED-UHFFFAOYSA-N 0 1 395.195 3.850 20 5 GHBDMN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1cccc(N2CCC[NH+]=C2[O-])c1 ZINC000460465483 881329950 /nfs/dbraw/zinc/32/99/50/881329950.db2.gz AQVKHEZCEFXKPU-UHFFFAOYSA-N 0 1 388.811 3.729 20 5 GHBDMN Cc1ccc(-c2cc(C(=O)Nc3cc4c(cc3[N+](=O)[O-])OCCCO4)on2)cc1 ZINC000123279054 883326155 /nfs/dbraw/zinc/32/61/55/883326155.db2.gz KEMHLDKPHGPAHC-UHFFFAOYSA-N 0 1 395.371 3.972 20 5 GHBDMN Cc1cc(S(=O)(=O)Nc2cccc(OC(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000609657819 883497174 /nfs/dbraw/zinc/49/71/74/883497174.db2.gz GQTVEHCYNWSXFH-UHFFFAOYSA-N 0 1 376.312 3.603 20 5 GHBDMN O=[N+]([O-])c1cccc2ncnc(Nc3cccc(CN4CCSCC4)c3)c21 ZINC000542506235 883777827 /nfs/dbraw/zinc/77/78/27/883777827.db2.gz ASWXPDARRMOHLG-UHFFFAOYSA-N 0 1 381.461 3.830 20 5 GHBDMN CC(C)(CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2ccccc2C1 ZINC000914511821 883940362 /nfs/dbraw/zinc/94/03/62/883940362.db2.gz DMWRXKMMCZRGIT-XFXZXTDPSA-N 0 1 379.460 3.561 20 5 GHBDMN COc1ccc(CN2CCCC[C@@H]2CCNC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000805765175 884097180 /nfs/dbraw/zinc/09/71/80/884097180.db2.gz KFLHFHAPOBEWPQ-MRXNPFEDSA-N 0 1 393.484 3.873 20 5 GHBDMN Cc1nc([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)n[nH]1 ZINC000286524396 912791269 /nfs/dbraw/zinc/79/12/69/912791269.db2.gz YAERIFBLMPYIPK-NSHDSACASA-N 0 1 389.481 3.795 20 5 GHBDMN Cc1c(CC(=O)N2C[C@H](C)N(Cc3ccccc3)[C@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC001130458493 884263852 /nfs/dbraw/zinc/26/38/52/884263852.db2.gz OIQIVJOPLJLXRE-QXAKKESOSA-N 0 1 395.503 3.956 20 5 GHBDMN CCOCCOc1ccc(Cl)cc1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000476237900 884305549 /nfs/dbraw/zinc/30/55/49/884305549.db2.gz YBRFKJXQPGGBID-UHFFFAOYSA-N 0 1 380.784 3.621 20 5 GHBDMN C[C@@H]1CCC[C@@H](C)N1CC(N)=NOCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000842049037 884649864 /nfs/dbraw/zinc/64/98/64/884649864.db2.gz NPPZEEGHKBJUJZ-ZIAGYGMSSA-N 0 1 387.440 3.511 20 5 GHBDMN CC[C@@H](CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000914735850 884652337 /nfs/dbraw/zinc/65/23/37/884652337.db2.gz XCGZIWJXOFKODN-KRWDZBQOSA-N 0 1 387.867 3.815 20 5 GHBDMN C[C@H](C[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(=O)[O-] ZINC000263498849 885003008 /nfs/dbraw/zinc/00/30/08/885003008.db2.gz KIAKRKSOJJHRMV-SNVBAGLBSA-N 0 1 397.225 3.770 20 5 GHBDMN CN(CCCN(C)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)Cc1ccco1 ZINC000806121505 886198076 /nfs/dbraw/zinc/19/80/76/886198076.db2.gz UWBWAHWOEIVEEA-UHFFFAOYSA-N 0 1 380.832 3.827 20 5 GHBDMN C[C@H](N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000248970622 886997708 /nfs/dbraw/zinc/99/77/08/886997708.db2.gz DEAPAVNWNSCHNW-RZAIGCCYSA-N 0 1 389.839 3.695 20 5 GHBDMN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CN[C@H](c1nnc[nH]1)c1ccccc1 ZINC000809986062 888043267 /nfs/dbraw/zinc/04/32/67/888043267.db2.gz XNUIGCZHAAMUFV-AWEZNQCLSA-N 0 1 378.219 3.899 20 5 GHBDMN CCN1CCN(c2cc(N(C)C(=O)C[C@H]3CCC[C@H]3C)cc([N+](=O)[O-])c2)CC1 ZINC001132062951 888129790 /nfs/dbraw/zinc/12/97/90/888129790.db2.gz ORNAFAUMTICEQL-IAGOWNOFSA-N 0 1 388.512 3.526 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)c1ccc(N2CCCCC2=O)cc1 ZINC000810126380 888190929 /nfs/dbraw/zinc/19/09/29/888190929.db2.gz GLRDCDISPLBLJM-HNNXBMFYSA-N 0 1 383.448 3.971 20 5 GHBDMN COc1ccc(CN[C@@H](C)c2ccc(N3CCCCC3=O)cc2)cc1[N+](=O)[O-] ZINC000810130848 888197489 /nfs/dbraw/zinc/19/74/89/888197489.db2.gz YBGYLPUWUFVZOS-HNNXBMFYSA-N 0 1 383.448 3.971 20 5 GHBDMN CCN1CCN(c2cc(N(C)C(=O)CC3=CCCCC3)cc([N+](=O)[O-])c2)CC1 ZINC001132279876 888530543 /nfs/dbraw/zinc/53/05/43/888530543.db2.gz VIGLUCLRKAALEL-UHFFFAOYSA-N 0 1 386.496 3.590 20 5 GHBDMN Cc1ccc(CN[C@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000532858992 889103085 /nfs/dbraw/zinc/10/30/85/889103085.db2.gz SSCMQWAHGGBFMJ-QFBILLFUSA-N 0 1 391.830 3.757 20 5 GHBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC[C@H]2C[C@H](O)c2cccs2)c1 ZINC000811467337 889627637 /nfs/dbraw/zinc/62/76/37/889627637.db2.gz KJZBGYJANVPJHT-RDJZCZTQSA-N 0 1 390.461 3.531 20 5 GHBDMN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNCCOCC(F)(F)C(F)F ZINC000811495380 889646767 /nfs/dbraw/zinc/64/67/67/889646767.db2.gz BUOCMWFAHZXAIG-UHFFFAOYSA-N 0 1 379.137 3.908 20 5 GHBDMN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNCc1ccccc1Cn1cncn1 ZINC000811471352 889655951 /nfs/dbraw/zinc/65/59/51/889655951.db2.gz OUJLHWYANYHYCA-UHFFFAOYSA-N 0 1 392.246 3.831 20 5 GHBDMN O=C(CCNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])NCc1ccccc1 ZINC000811476281 889662411 /nfs/dbraw/zinc/66/24/11/889662411.db2.gz ICBBRGQZYNAVAY-UHFFFAOYSA-N 0 1 382.247 3.698 20 5 GHBDMN COc1ccc(-c2csc(-c3cc([N+](=O)[O-])ccc3N)n2)c2c1C(=O)CO2 ZINC000811633440 889799012 /nfs/dbraw/zinc/79/90/12/889799012.db2.gz OAORFSXVAVKCAO-UHFFFAOYSA-N 0 1 383.385 3.551 20 5 GHBDMN CCN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H](C)[C@H](O)c1ccccc1 ZINC000812847848 891039636 /nfs/dbraw/zinc/03/96/36/891039636.db2.gz FRBPHLJESWGBFG-LIRRHRJNSA-N 0 1 382.420 3.589 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@@H](C1CC1)C1CCC1 ZINC001212074403 891686100 /nfs/dbraw/zinc/68/61/00/891686100.db2.gz CXCDIWQPQWCSBV-CYBMUJFWSA-N 0 1 379.265 3.759 20 5 GHBDMN COc1ccc(NC(=O)CN(C2CC2)[C@H]2CCc3ccccc32)c([N+](=O)[O-])c1 ZINC000067712314 891733328 /nfs/dbraw/zinc/73/33/28/891733328.db2.gz VTWAVBREFITYRX-IBGZPJMESA-N 0 1 381.432 3.694 20 5 GHBDMN Cc1ccc(/C=C\S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 ZINC000917738828 892453100 /nfs/dbraw/zinc/45/31/00/892453100.db2.gz CTKOHVGWLHKOHP-HJWRWDBZSA-N 0 1 384.360 3.917 20 5 GHBDMN CC(C)(C)OC(=O)N1CCC2(C1)CCN(Cc1cc(F)ccc1[N+](=O)[O-])CC2 ZINC000814643302 893033511 /nfs/dbraw/zinc/03/35/11/893033511.db2.gz NXKQBCNBKQDFRG-UHFFFAOYSA-N 0 1 393.459 3.957 20 5 GHBDMN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(CN(C)C)c(F)c1 ZINC000154642909 893124333 /nfs/dbraw/zinc/12/43/33/893124333.db2.gz KYKBVBNRIZYCJV-ZDUSSCGKSA-N 0 1 391.468 3.593 20 5 GHBDMN COc1ccccc1-c1cc(C(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)no1 ZINC000918149315 893272785 /nfs/dbraw/zinc/27/27/85/893272785.db2.gz SLRHRWSXGUDQNP-UHFFFAOYSA-N 0 1 375.287 3.789 20 5 GHBDMN C[C@H](NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])c1cccc(F)c1F ZINC000815028949 893382709 /nfs/dbraw/zinc/38/27/09/893382709.db2.gz HFHZRZHCKKFILA-ZETCQYMHSA-N 0 1 394.758 3.705 20 5 GHBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@H](Cc2nccs2)C1 ZINC000934335511 893555351 /nfs/dbraw/zinc/55/53/51/893555351.db2.gz IRBUMQADYWCSRD-QWHCGFSZSA-N 0 1 385.449 3.727 20 5 GHBDMN COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(OCC(C)C)cc1 ZINC000536700444 893573597 /nfs/dbraw/zinc/57/35/97/893573597.db2.gz RZEVPHHTOAKVFG-UHFFFAOYSA-N 0 1 394.449 3.577 20 5 GHBDMN COCc1cccc(OCC2(CN3CCc4c(cccc4[N+](=O)[O-])C3)CC2)c1 ZINC000536733242 893647522 /nfs/dbraw/zinc/64/75/22/893647522.db2.gz XPXBLRNQDWCZHP-UHFFFAOYSA-N 0 1 382.460 3.959 20 5 GHBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H](c1ccccc1)C1(CO)CCCC1 ZINC000459518616 893688886 /nfs/dbraw/zinc/68/88/86/893688886.db2.gz CNEMUKJUCBOKLX-NRFANRHFSA-N 0 1 397.475 3.725 20 5 GHBDMN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc3nc(-c4ccccn4)oc3c2)c1 ZINC000194657996 893754753 /nfs/dbraw/zinc/75/47/53/893754753.db2.gz QQOJCBGOHZKJDG-UHFFFAOYSA-N 0 1 396.384 3.599 20 5 GHBDMN CCOc1ccc(CCN(C)Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000934720355 893845809 /nfs/dbraw/zinc/84/58/09/893845809.db2.gz XFXZHEJYRNBDGI-UHFFFAOYSA-N 0 1 382.420 3.718 20 5 GHBDMN O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1N[C@@H](CO)c1c(F)cccc1F ZINC000536867475 893966141 /nfs/dbraw/zinc/96/61/41/893966141.db2.gz BWWQONPWIXUMHK-KKXDTOCCSA-N 0 1 376.403 3.907 20 5 GHBDMN Cc1nn(Cc2ccccc2)c(C)c1CN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815556533 893993414 /nfs/dbraw/zinc/99/34/14/893993414.db2.gz XVYOZXCULKWJRL-AWEZNQCLSA-N 0 1 379.464 3.889 20 5 GHBDMN O=[N+]([O-])c1ccccc1-c1nnc(CN2CC[C@H](COCc3ccccc3)C2)o1 ZINC000878136802 894044269 /nfs/dbraw/zinc/04/42/69/894044269.db2.gz ITTCCNTWULFQLN-KRWDZBQOSA-N 0 1 394.431 3.684 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000459674150 894046280 /nfs/dbraw/zinc/04/62/80/894046280.db2.gz KFGIHTHVJQEJJO-MJGOQNOKSA-N 0 1 383.448 3.810 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000459674151 894047198 /nfs/dbraw/zinc/04/71/98/894047198.db2.gz KFGIHTHVJQEJJO-PKOBYXMFSA-N 0 1 383.448 3.810 20 5 GHBDMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000459871908 894295715 /nfs/dbraw/zinc/29/57/15/894295715.db2.gz UDJXCXKMMBTNNX-UHFFFAOYSA-N 0 1 396.491 3.571 20 5 GHBDMN Cc1nc(-c2ccccc2NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cs1 ZINC000218662899 895990235 /nfs/dbraw/zinc/99/02/35/895990235.db2.gz MKKOKNINHAUXBF-UHFFFAOYSA-N 0 1 375.431 3.828 20 5 GHBDMN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCNC[C@@H]2c2cccc(Cl)c2)c1 ZINC000566101607 896108250 /nfs/dbraw/zinc/10/82/50/896108250.db2.gz FSYFZIYXVGRKHV-QGZVFWFLSA-N 0 1 391.880 3.757 20 5 GHBDMN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC(Oc3ccccc3Cl)CC2)c1 ZINC000128783880 896116196 /nfs/dbraw/zinc/11/61/96/896116196.db2.gz NUDJWRQMGZTJKI-SFHVURJKSA-N 0 1 376.840 3.825 20 5 GHBDMN COc1cc(CNc2cc3c(cn2)CCC3)c([N+](=O)[O-])cc1OCC(F)F ZINC000567119022 896888714 /nfs/dbraw/zinc/88/87/14/896888714.db2.gz WOBPEVQJXWPURY-UHFFFAOYSA-N 0 1 379.363 3.743 20 5 GHBDMN CC(C)(C)N1CCc2nc(NC(=O)c3cc(F)c([N+](=O)[O-])cc3F)sc2C1 ZINC000819677911 896900187 /nfs/dbraw/zinc/90/01/87/896900187.db2.gz FUQQZNSKTPWCPP-UHFFFAOYSA-N 0 1 396.419 3.738 20 5 GHBDMN COc1ccc(CN[C@@H]2CC3(CCOCC3)Oc3ccccc32)cc1[N+](=O)[O-] ZINC000883393600 897556259 /nfs/dbraw/zinc/55/62/59/897556259.db2.gz IJEKRESDZOHGSP-QGZVFWFLSA-N 0 1 384.432 3.766 20 5 GHBDMN CC[C@H](NCc1cc(I)cc([N+](=O)[O-])c1)c1ccncc1 ZINC000289416096 914176575 /nfs/dbraw/zinc/17/65/75/914176575.db2.gz BYZQQZOBGSAJHA-HNNXBMFYSA-N 0 1 397.216 3.835 20 5 GHBDMN Cc1cc(S(=O)(=O)Nc2c(C)cccc2OC(F)F)cc([N+](=O)[O-])c1F ZINC000132003858 897634565 /nfs/dbraw/zinc/63/45/65/897634565.db2.gz KYPVYVMQHIBKCU-UHFFFAOYSA-N 0 1 390.339 3.753 20 5 GHBDMN COC(=O)c1ccc(CNC/C(C)=C/c2cccc([N+](=O)[O-])c2)nc1C1CC1 ZINC000568933832 898221426 /nfs/dbraw/zinc/22/14/26/898221426.db2.gz WJBJTOBTGVOGQX-GXDHUFHOSA-N 0 1 381.432 3.847 20 5 GHBDMN CC(C)(C)OC(=O)CC[C@@H]1CCCCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000823243347 898938010 /nfs/dbraw/zinc/93/80/10/898938010.db2.gz JIQGLEHZJONYQI-FUHWJXTLSA-N 0 1 378.469 3.605 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N2C[C@@H](c3cccc(Cl)c3)OC[C@H]2C)c1[N+](=O)[O-] ZINC000331670767 899072389 /nfs/dbraw/zinc/07/23/89/899072389.db2.gz YUFWDPXCZYJVMT-RISCZKNCSA-N 0 1 392.843 3.697 20 5 GHBDMN CC(C)c1nc([C@@H]2CCCCN2C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)n[nH]1 ZINC000332057629 899373522 /nfs/dbraw/zinc/37/35/22/899373522.db2.gz OPSCRKFSIHBIDQ-LRDDRELGSA-N 0 1 389.431 3.833 20 5 GHBDMN C[C@H](c1ccccc1Br)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000332443302 899674152 /nfs/dbraw/zinc/67/41/52/899674152.db2.gz JPSXEUHEDKNUDC-GFCCVEGCSA-N 0 1 379.258 3.952 20 5 GHBDMN CC(C)c1ccc(CN2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000824827952 899851009 /nfs/dbraw/zinc/85/10/09/899851009.db2.gz JYHQZTOBPTVJHX-CABCVRRESA-N 0 1 399.413 3.561 20 5 GHBDMN CC(C)(C)O[C@@H]1C[C@H](NCc2cc(Cl)ccc2[N+](=O)[O-])[C@H]1n1cccn1 ZINC000825118953 899991262 /nfs/dbraw/zinc/99/12/62/899991262.db2.gz ZOUFRUHSMPDWMI-USXIJHARSA-N 0 1 378.860 3.732 20 5 GHBDMN C[C@@H]1C[C@H](Nc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000844212447 900606764 /nfs/dbraw/zinc/60/67/64/900606764.db2.gz XNNUSWIMZCRLFX-LCBOHDIASA-N 0 1 381.432 3.768 20 5 GHBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@H](c2ccccc2)C2CCOCC2)c1 ZINC000844314307 900720841 /nfs/dbraw/zinc/72/08/41/900720841.db2.gz ZJUFBVWWFDNRAV-HXUWFJFHSA-N 0 1 384.432 3.639 20 5 GHBDMN COc1cc(C[N@@H+](C)[C@@H]2CCC[C@H]2O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000577026072 902442588 /nfs/dbraw/zinc/44/25/88/902442588.db2.gz GRRZHEZHVBEGKL-IEBWSBKVSA-N 0 1 386.448 3.528 20 5 GHBDMN COc1cc(CN(C)[C@@H]2CCC[C@H]2O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000577026072 902442594 /nfs/dbraw/zinc/44/25/94/902442594.db2.gz GRRZHEZHVBEGKL-IEBWSBKVSA-N 0 1 386.448 3.528 20 5 GHBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@H](c3ccc(F)c(F)c3)C2)c1 ZINC000600673118 902809815 /nfs/dbraw/zinc/80/98/15/902809815.db2.gz COUHUHUTWMSQGF-AWEZNQCLSA-N 0 1 376.359 3.951 20 5 GHBDMN Cc1c([C@H](C)N[C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cccc1[N+](=O)[O-] ZINC000133798372 903423282 /nfs/dbraw/zinc/42/32/82/903423282.db2.gz IALUMQXNKYUVFF-CABCVRRESA-N 0 1 391.493 3.565 20 5 GHBDMN Cc1ccc([C@@H](C)NCc2cccc(NC(=O)[C@H]3CCCO3)c2)cc1[N+](=O)[O-] ZINC000153386243 904359160 /nfs/dbraw/zinc/35/91/60/904359160.db2.gz UJCMRJSZEGLKCA-FOIQADDNSA-N 0 1 383.448 3.872 20 5 GHBDMN CN1CCN(c2ccccc2C(=O)Nc2cc3cccnc3c3ncccc23)CC1 ZINC001186897246 914860388 /nfs/dbraw/zinc/86/03/88/914860388.db2.gz FNRHZFPFLRTLPH-UHFFFAOYSA-N 0 1 397.482 3.787 20 5 GHBDMN CN1C(=O)C[C@@H](NCc2ccc([N+](=O)[O-])c(F)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000801552084 921124644 /nfs/dbraw/zinc/12/46/44/921124644.db2.gz YBEMMGLQYLNDEW-QAPCUYQASA-N 0 1 395.793 3.588 20 5 GHBDMN Cc1ccc(C(=O)N2CCN([C@H]3CCc4ccc([N+](=O)[O-])cc4CC3)CC2)cc1 ZINC001172920516 905991462 /nfs/dbraw/zinc/99/14/62/905991462.db2.gz JYQCWTMAXGZLPK-NRFANRHFSA-N 0 1 393.487 3.609 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2C[C@@H]3C(=O)c4ccccc4[C@@H]3C2)c1F ZINC001173181395 906261438 /nfs/dbraw/zinc/26/14/38/906261438.db2.gz PJABEVPFPVWYMU-ZLIFDBKOSA-N 0 1 384.407 3.585 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C[C@H](C)NCc2c(F)c(F)ccc2OC)c1F ZINC001173189642 906270086 /nfs/dbraw/zinc/27/00/86/906270086.db2.gz PFKHDCXBGWGPJD-JTQLQIEISA-N 0 1 384.354 3.750 20 5 GHBDMN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCN(c2nsc3ccccc32)CC1 ZINC001173220846 906297408 /nfs/dbraw/zinc/29/74/08/906297408.db2.gz DAPDBVZCXVYAGP-OAHLLOKOSA-N 0 1 382.489 3.958 20 5 GHBDMN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCO[C@]2(CCCN(c3ccccc3)C2)C1 ZINC001173223457 906304157 /nfs/dbraw/zinc/30/41/57/906304157.db2.gz FXUQKSAOYLGBMO-WMZHIEFXSA-N 0 1 395.503 3.897 20 5 GHBDMN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCc2onc(COc3cccnc3)c2C1 ZINC001173225317 906308028 /nfs/dbraw/zinc/30/80/28/906308028.db2.gz JGPFGVQBNRKMPH-HNNXBMFYSA-N 0 1 394.431 3.546 20 5 GHBDMN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCc2onc(COc3ccccn3)c2C1 ZINC001173226859 906309702 /nfs/dbraw/zinc/30/97/02/906309702.db2.gz MHWWTJJUNHQJEX-HNNXBMFYSA-N 0 1 394.431 3.546 20 5 GHBDMN COc1cc(CSc2nc(C3CC3)n[nH]2)c([N+](=O)[O-])cc1OCC(F)F ZINC000182385592 907195047 /nfs/dbraw/zinc/19/50/47/907195047.db2.gz FLZIPGIYSHIUBY-UHFFFAOYSA-N 0 1 386.380 3.535 20 5 GHBDMN COc1cc(CSc2n[nH]c(C3CC3)n2)c([N+](=O)[O-])cc1OCC(F)F ZINC000182385592 907195050 /nfs/dbraw/zinc/19/50/50/907195050.db2.gz FLZIPGIYSHIUBY-UHFFFAOYSA-N 0 1 386.380 3.535 20 5 GHBDMN COc1cc(CN(C)C[C@H](C)c2nccs2)c([N+](=O)[O-])cc1OC(F)F ZINC000184018926 907501271 /nfs/dbraw/zinc/50/12/71/907501271.db2.gz ODNNDUYSBSARFA-JTQLQIEISA-N 0 1 387.408 3.897 20 5 GHBDMN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000191348400 908614173 /nfs/dbraw/zinc/61/41/73/908614173.db2.gz WRBJROYJYUNZSF-AWEZNQCLSA-N 0 1 384.440 3.619 20 5 GHBDMN CCOC(=O)c1[nH]nc(NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)c1C1CC1 ZINC001179909844 909830091 /nfs/dbraw/zinc/83/00/91/909830091.db2.gz KDSWMMHRAPUIKX-UHFFFAOYSA-N 0 1 386.408 3.748 20 5 GHBDMN Cc1cc(Cl)ncc1NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795339538 909981039 /nfs/dbraw/zinc/98/10/39/909981039.db2.gz KMDJCJBJBHTYCF-UHFFFAOYSA-N 0 1 380.184 3.545 20 5 GHBDMN CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000246334650 910239530 /nfs/dbraw/zinc/23/95/30/910239530.db2.gz TVOCJVLMSIEYFU-SQNIBIBYSA-N 0 1 397.258 3.525 20 5 GHBDMN C[C@@H](NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1OCCc2sccc21 ZINC000795481898 910609761 /nfs/dbraw/zinc/60/97/61/910609761.db2.gz JTXNUTAQQDSGFG-BMLIUANNSA-N 0 1 395.868 3.540 20 5 GHBDMN O=[N+]([O-])c1ccccc1OCCSc1nc(-c2cc(F)cc(F)c2)n[nH]1 ZINC000303845251 915209119 /nfs/dbraw/zinc/20/91/19/915209119.db2.gz CKGAWKQEKFCJTO-UHFFFAOYSA-N 0 1 378.360 3.829 20 5 GHBDMN C[C@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1OCCc2sccc21 ZINC000292457775 915693881 /nfs/dbraw/zinc/69/38/81/915693881.db2.gz QCDHDWJNKUCQQI-DYZYQPBXSA-N 0 1 395.868 3.540 20 5 GHBDMN O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000292885741 915888291 /nfs/dbraw/zinc/88/82/91/915888291.db2.gz WCPPCTPXPZGFCA-CQSZACIVSA-N 0 1 393.365 3.618 20 5 GHBDMN CCOc1cccc([C@@H](C)NCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000775215333 916375183 /nfs/dbraw/zinc/37/51/83/916375183.db2.gz UCQBAYPDNXSUIF-GFCCVEGCSA-N 0 1 377.828 3.936 20 5 GHBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC2(CCC(O)CC2)CC1 ZINC000295802334 917508071 /nfs/dbraw/zinc/50/80/71/917508071.db2.gz WEJRHSBXVCMEFE-CQSZACIVSA-N 0 1 386.452 3.723 20 5 GHBDMN CCO[C@H](CN1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1)C1CC1 ZINC001190809383 917550732 /nfs/dbraw/zinc/55/07/32/917550732.db2.gz IKGSNHJGMIZFFT-QGZVFWFLSA-N 0 1 387.402 3.551 20 5 GHBDMN C[C@H](N[C@@H](C)c1cccc(N2CCCS2(=O)=O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000297405794 919298134 /nfs/dbraw/zinc/29/81/34/919298134.db2.gz SVBKQLZLTPYVNN-GJZGRUSLSA-N 0 1 389.477 3.547 20 5 GHBDMN O=C1[C@H](NCc2cccc([N+](=O)[O-])c2)CCN1c1ccc(C(F)(F)F)cc1 ZINC000113306774 919367253 /nfs/dbraw/zinc/36/72/53/919367253.db2.gz TUBLTDOGGNYWLD-MRXNPFEDSA-N 0 1 379.338 3.509 20 5 GHBDMN Cc1ccc(NC(=O)NC[C@@H]2CCCN(Cc3ccccc3[N+](=O)[O-])C2)cc1 ZINC000116699081 919515525 /nfs/dbraw/zinc/51/55/25/919515525.db2.gz KYEMLNSDCXERJY-KRWDZBQOSA-N 0 1 382.464 3.937 20 5 GHBDMN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN(Cc1ccccc1F)C1CC1 ZINC000117334102 919537576 /nfs/dbraw/zinc/53/75/76/919537576.db2.gz KCMVNTGLJMYFDS-UHFFFAOYSA-N 0 1 385.395 3.697 20 5 GHBDMN COc1cc([C@@H](C)N[C@H](Cc2nccn2C)c2ccccc2)cc([N+](=O)[O-])c1 ZINC000903103554 922776155 /nfs/dbraw/zinc/77/61/55/922776155.db2.gz JVGCXIFIWLOWFD-FOIQADDNSA-N 0 1 380.448 3.972 20 5 GHBDMN CCS(=O)(=O)c1ccc([C@@H](C)N[C@H](C)c2cc(OC)cc([N+](=O)[O-])c2)cc1 ZINC000903166069 922823610 /nfs/dbraw/zinc/82/36/10/922823610.db2.gz QCWFDTOVTFBBHD-ZIAGYGMSSA-N 0 1 392.477 3.809 20 5 GHBDMN CCS(=O)(=O)c1ccc([C@H](C)N[C@H](C)c2cc(OC)cc([N+](=O)[O-])c2)cc1 ZINC000903166067 922824034 /nfs/dbraw/zinc/82/40/34/922824034.db2.gz QCWFDTOVTFBBHD-UONOGXRCSA-N 0 1 392.477 3.809 20 5 GHBDMN O=C(OCc1csc([N+](=O)[O-])c1)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000803905870 923361842 /nfs/dbraw/zinc/36/18/42/923361842.db2.gz GONGUSFQWPGLGF-HNNXBMFYSA-N 0 1 396.415 3.857 20 5 GHBDMN C[C@H](C(=O)Nc1cccc2ccccc21)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369692103 923546292 /nfs/dbraw/zinc/54/62/92/923546292.db2.gz HGLIHUAWDYTQFS-OAHLLOKOSA-N 0 1 393.447 3.609 20 5 GHBDMN Cc1ccc(C=Cc2n[nH]c(S[C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])n2)o1 ZINC000012840966 927949427 /nfs/dbraw/zinc/94/94/27/927949427.db2.gz DZRFHXPPHBJYDO-BZYZDCJZSA-N 0 1 399.432 3.904 20 5 GHBDMN COc1ccc(NC(=O)N2C[C@@H](C)N(Cc3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000543891557 928541401 /nfs/dbraw/zinc/54/14/01/928541401.db2.gz VUYKPDBWDXMJTL-HZPDHXFCSA-N 0 1 398.463 3.730 20 5 GHBDMN COc1ccc(NC(=O)CN2CCC[C@@]2(C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000467239829 928867047 /nfs/dbraw/zinc/86/70/47/928867047.db2.gz YJARFOAOASOIMU-NRFANRHFSA-N 0 1 383.448 3.639 20 5 GHBDMN CCc1ccc([C@H](NCCCN2CCCCC2=O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000544359147 929088651 /nfs/dbraw/zinc/08/86/51/929088651.db2.gz VPRPGAVXQYWJSH-OAQYLSRUSA-N 0 1 385.464 3.832 20 5 GHBDMN O=[N+]([O-])c1cccc2ncnc(Sc3nc(-c4cc(F)cc(F)c4)n[nH]3)c21 ZINC000544393576 929126671 /nfs/dbraw/zinc/12/66/71/929126671.db2.gz YZTNBYSAAYRKNX-UHFFFAOYSA-N 0 1 386.343 3.753 20 5 GHBDMN CC(C)Cn1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)cn1 ZINC000753018387 929160321 /nfs/dbraw/zinc/16/03/21/929160321.db2.gz WNGZMEDBNGQUPN-UHFFFAOYSA-N 0 1 393.252 3.555 20 5 GHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000753510458 929383974 /nfs/dbraw/zinc/38/39/74/929383974.db2.gz DLVPDQIYOFXLTA-GFCCVEGCSA-N 0 1 380.322 3.949 20 5 GHBDMN CC[C@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CCN1Cc1ccccc1 ZINC000546103719 929855270 /nfs/dbraw/zinc/85/52/70/929855270.db2.gz BPCMWBDLKZKZMP-KRWDZBQOSA-N 0 1 380.448 3.832 20 5 GHBDMN O=[N+]([O-])c1ccc(Cc2noc(-c3cc(-c4ccccc4Cl)n[nH]3)n2)nc1 ZINC000546488198 930208052 /nfs/dbraw/zinc/20/80/52/930208052.db2.gz CLZBZMGKOYANPI-UHFFFAOYSA-N 0 1 382.767 3.674 20 5 GHBDMN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1n[nH]c(-c2ccccc2)n1 ZINC000780458471 930525519 /nfs/dbraw/zinc/52/55/19/930525519.db2.gz IOUOOILABRJCQX-UHFFFAOYSA-N 0 1 397.460 3.812 20 5 GHBDMN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1nc(-c2ccccc2)n[nH]1 ZINC000780458471 930525526 /nfs/dbraw/zinc/52/55/26/930525526.db2.gz IOUOOILABRJCQX-UHFFFAOYSA-N 0 1 397.460 3.812 20 5 GHBDMN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)Nc2ccc3c(c2)OC(C)(C)O3)c1 ZINC000783806421 931661361 /nfs/dbraw/zinc/66/13/61/931661361.db2.gz GOKCLHUAGNKTSX-UHFFFAOYSA-N 0 1 398.824 3.865 20 5 GHBDMN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(Cc3c(F)cccc3[N+](=O)[O-])C[C@H]21 ZINC000784509267 931918084 /nfs/dbraw/zinc/91/80/84/931918084.db2.gz MDQWOAPIZZAZRI-CKEIUWERSA-N 0 1 393.459 3.859 20 5 GHBDMN CC[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2OC)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000797519167 932317446 /nfs/dbraw/zinc/31/74/46/932317446.db2.gz XHKSUBVMURXQIP-YOEHRIQHSA-N 0 1 393.484 3.729 20 5 GHBDMN O=[N+]([O-])c1cnn(CCN2CCCC[C@@H]2Cc2ccccc2Br)c1 ZINC000559479658 932699900 /nfs/dbraw/zinc/69/99/00/932699900.db2.gz TXXXBDJOXCHUQW-OAHLLOKOSA-N 0 1 393.285 3.651 20 5 GHBDMN CCc1cc(CNC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000799630197 933069167 /nfs/dbraw/zinc/06/91/67/933069167.db2.gz WRODHCKACZUXHG-UHFFFAOYSA-N 0 1 382.445 3.962 20 5 GHBDMN COC[C@H](NCc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)[C@H]1CCCO1 ZINC001116853181 933794775 /nfs/dbraw/zinc/79/47/75/933794775.db2.gz DVYCMIGSTSLJQH-MAUKXSAKSA-N 0 1 380.828 3.792 20 5 GHBDMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC001118912696 934282673 /nfs/dbraw/zinc/28/26/73/934282673.db2.gz DPRHVZVMEDJISQ-UHFFFAOYSA-N 0 1 382.424 3.828 20 5 GHBDMN O=c1[nH]cnc(O[C@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)c1Br ZINC001226721635 1032092591 /nfs/dbraw/zinc/09/25/91/1032092591.db2.gz KYSUHNGQRIJEGK-SECBINFHSA-N 0 1 394.103 3.535 20 5 GHBDMN C[C@H](C(=O)[O-])[C@@H]([NH2+]Cc1c(Br)cccc1[N+](=O)[O-])c1ccccc1 ZINC001589467213 986924452 /nfs/dbraw/zinc/92/44/52/986924452.db2.gz BBKRTRUISAFRPN-MEDUHNTESA-N 0 1 393.237 3.909 20 5 GHBDMN C[N@@H+](Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC001598520047 992668692 /nfs/dbraw/zinc/66/86/92/992668692.db2.gz NVHJDQLZYRWRAC-OLZOCXBDSA-N 0 1 390.358 3.611 20 5 GHBDMN C[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC001598525906 992720235 /nfs/dbraw/zinc/72/02/35/992720235.db2.gz WATYVAIEIAZGCS-OAHLLOKOSA-N 0 1 388.729 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O=C1CCCCN1CC1CCN(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC001204307928 1032751380 /nfs/dbraw/zinc/75/13/80/1032751380.db2.gz PZBKTZGRQOTXBW-UHFFFAOYSA-N 0 1 399.413 3.838 20 5 GHBDMN COC[C@@H](C)N(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@@H]1CCc2ccccc21 ZINC000600795536 1020262472 /nfs/dbraw/zinc/26/24/72/1020262472.db2.gz YXNPZVYKLKTYND-BFUOFWGJSA-N 0 1 394.431 3.636 20 5 GHBDMN CC[C@@H](NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1nc(C(F)(F)F)cs1 ZINC000754491116 1022736532 /nfs/dbraw/zinc/73/65/32/1022736532.db2.gz BKLFFNUZBUVLPZ-VXGBXAGGSA-N 0 1 375.372 3.844 20 5 GHBDMN Cc1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)N2CCc3ccccc3C2)cc1Cl ZINC000836343381 1022902247 /nfs/dbraw/zinc/90/22/47/1022902247.db2.gz QEJFJOKEBXQJSE-AWEZNQCLSA-N 0 1 387.867 3.733 20 5 GHBDMN CCOc1cc(CN2CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000755047821 1023043600 /nfs/dbraw/zinc/04/36/00/1023043600.db2.gz KDNIFCFQIXHAPZ-GOEBONIOSA-N 0 1 393.484 3.729 20 5 GHBDMN 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OPFBMFQAYYHSGN-UHFFFAOYSA-N 0 1 383.795 3.643 20 5 GHBDMN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CCN(C2CC2)C1 ZINC001298640433 1045905576 /nfs/dbraw/zinc/90/55/76/1045905576.db2.gz MBXSXFANNDDCLY-MRXNPFEDSA-N 0 1 395.459 3.943 20 5 GHBDMN COc1cc(C(=O)Nc2ccc(Br)c(O)c2)cc([N+](=O)[O-])c1C ZINC001261361073 1045977713 /nfs/dbraw/zinc/97/77/13/1045977713.db2.gz GYPUTHJUFUOFSQ-UHFFFAOYSA-N 0 1 381.182 3.632 20 5 GHBDMN C[C@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001301883140 1046744769 /nfs/dbraw/zinc/74/47/69/1046744769.db2.gz UJWNJUXLLNVNRX-YOEHRIQHSA-N 0 1 387.867 3.889 20 5 GHBDMN CC1CCC(N2CCN(C(=O)c3cc(C(F)(F)F)ccc3[N+](=O)[O-])CC2)CC1 ZINC001265200226 1047573655 /nfs/dbraw/zinc/57/36/55/1047573655.db2.gz POZINDDGBMDHBD-UHFFFAOYSA-N 0 1 399.413 3.950 20 5 GHBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1ccc(C2CCOCC2)cc1 ZINC001306508947 1048711523 /nfs/dbraw/zinc/71/15/23/1048711523.db2.gz CXIUTCGQNDKCDW-UHFFFAOYSA-N 0 1 393.403 3.526 20 5 GHBDMN 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1054740151 /nfs/dbraw/zinc/74/01/51/1054740151.db2.gz BSCGOHDFTZYRHY-INIZCTEOSA-N 0 1 398.394 3.516 20 5 GHBDMN COc1ccc(CNC(=O)[C@@H]2CCCCN2Cc2cccc(C)c2)cc1[N+](=O)[O-] ZINC001318642840 1054766385 /nfs/dbraw/zinc/76/63/85/1054766385.db2.gz BDRQSXANRADBFC-IBGZPJMESA-N 0 1 397.475 3.583 20 5 GHBDMN Cc1nn(C)c(C)c1-c1cc(-c2nc(-c3cc(C)c([N+](=O)[O-])cc3C)no2)[nH]n1 ZINC001320498060 1055843386 /nfs/dbraw/zinc/84/33/86/1055843386.db2.gz RTRHSXPBONNKID-UHFFFAOYSA-N 0 1 393.407 3.669 20 5 GHBDMN CC(C)(C)c1ccc2c(c1)CCN(C(=O)c1[nH]nc3ccc([N+](=O)[O-])cc31)C2 ZINC001337883085 1058309035 /nfs/dbraw/zinc/30/90/35/1058309035.db2.gz JROLAPRZACVDAR-UHFFFAOYSA-N 0 1 378.432 3.967 20 5 GHBDMN C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2[O-])cc1 ZINC001441378210 1058771208 /nfs/dbraw/zinc/77/12/08/1058771208.db2.gz OTQNXQOARMYIAY-HNNXBMFYSA-N 0 1 383.448 3.605 20 5 GHBDMN CCn1c(NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)nc2cc(C)ccc21 ZINC001446808240 1059866475 /nfs/dbraw/zinc/86/64/75/1059866475.db2.gz SCVTXPQZEKGOPF-UHFFFAOYSA-N 0 1 390.403 3.915 20 5 GHBDMN COc1ccc2nc([C@H](C)NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)[nH]c2c1 ZINC001448107027 1060105254 /nfs/dbraw/zinc/10/52/54/1060105254.db2.gz UOUPAACFLKCMFC-JTQLQIEISA-N 0 1 380.360 3.717 20 5 GHBDMN C[C@@H]1C[N@H+](Cc2ccc(-c3nnc(-c4cccc([N+](=O)[O-])c4)o3)cc2)C[C@H](C)O1 ZINC001341253419 1060529943 /nfs/dbraw/zinc/52/99/43/1060529943.db2.gz UEVPECUCTCIOOU-GASCZTMLSA-N 0 1 394.431 3.921 20 5 GHBDMN C[C@@H]1CN(Cc2ccc(-c3nnc(-c4cccc([N+](=O)[O-])c4)o3)cc2)C[C@H](C)O1 ZINC001341253419 1060529961 /nfs/dbraw/zinc/52/99/61/1060529961.db2.gz UEVPECUCTCIOOU-GASCZTMLSA-N 0 1 394.431 3.921 20 5 GHBDMN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H](c1nnc[nH]1)c1ccccc1 ZINC001451084039 1060735769 /nfs/dbraw/zinc/73/57/69/1060735769.db2.gz VQBTXROMSSELOJ-QFBILLFUSA-N 0 1 393.447 3.530 20 5 GHBDMN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1CCC2(CCSCC2)CC1 ZINC001454516480 1061814071 /nfs/dbraw/zinc/81/40/71/1061814071.db2.gz VFOBOFTWGREEOQ-UHFFFAOYSA-N 0 1 386.477 3.734 20 5 GHBDMN O=C(Nc1ccc(OCc2cccc(C(F)(F)F)c2)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001455926412 1062355922 /nfs/dbraw/zinc/35/59/22/1062355922.db2.gz AMUKWUCRWIZKPB-HZPDHXFCSA-N 0 1 380.322 3.888 20 5 GHBDMN O=C(N[C@@H](c1ccc(Cl)cc1Cl)C(F)(F)F)c1n[nH]cc1[N+](=O)[O-] ZINC001455967674 1062377503 /nfs/dbraw/zinc/37/75/03/1062377503.db2.gz IYNWSQFVOOHNPI-JTQLQIEISA-N 0 1 383.113 3.658 20 5 GHBDMN COc1ccccc1-c1nnc(NC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])s1 ZINC001436382094 1063418979 /nfs/dbraw/zinc/41/89/79/1063418979.db2.gz ZYOIXBGGQPCBBI-UHFFFAOYSA-N 0 1 392.343 3.652 20 5 GHBDMN CCc1cc(N[C@@H]2CN(C)Cc3ccccc32)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001458304719 1063732950 /nfs/dbraw/zinc/73/29/50/1063732950.db2.gz JYECPASDVHCIFE-HXUWFJFHSA-N 0 1 389.459 3.635 20 5 GHBDMN CS[C@@H]1CN(c2c(Cl)c(Cl)ccc2[N+](=O)[O-])C[C@@H]1N1CCCC1 ZINC001458325010 1063745246 /nfs/dbraw/zinc/74/52/46/1063745246.db2.gz COHLMBBJRHUZFT-QWHCGFSZSA-N 0 1 376.309 3.918 20 5 GHBDMN CC(C)[C@](C)(NCc1cn(C)nc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC001459953648 1064300282 /nfs/dbraw/zinc/30/02/82/1064300282.db2.gz XIGMQRCXPWJOOA-INIZCTEOSA-N 0 1 381.274 3.752 20 5 GHBDMN C[C@@H](COc1ccc(C(C)(C)C)cc1)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001351295384 1064356331 /nfs/dbraw/zinc/35/63/31/1064356331.db2.gz HSUANEUUYNNIPT-ZDUSSCGKSA-N 0 1 396.447 3.966 20 5 GHBDMN C[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1)N1CCc2ccccc2C1 ZINC001465543302 1065702393 /nfs/dbraw/zinc/70/23/93/1065702393.db2.gz INZCMTPLDDYWFV-CYBMUJFWSA-N 0 1 388.855 3.817 20 5 GHBDMN CCCN(C(=O)c1cc([N+](=O)[O-])cc(C)n1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001357960130 1067347211 /nfs/dbraw/zinc/34/72/11/1067347211.db2.gz QYTYZUVKYABCLC-IBGZPJMESA-N 0 1 396.491 3.815 20 5 GHBDMN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1CC[C@@H](c2cccc(F)c2)C1 ZINC001467602402 1067379662 /nfs/dbraw/zinc/37/96/62/1067379662.db2.gz CTFIAONJCTUVQI-OAHLLOKOSA-N 0 1 380.379 3.754 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H](c2ccccc2)C1(C)C ZINC001460258717 1068889794 /nfs/dbraw/zinc/88/97/94/1068889794.db2.gz QXVZGYCEBBFUOK-QGZVFWFLSA-N 0 1 383.448 3.810 20 5 GHBDMN COc1ccc(CN2CCC[C@@](O)(c3ccc(Cl)cc3)C2)cc1[N+](=O)[O-] ZINC001460332666 1068929710 /nfs/dbraw/zinc/92/97/10/1068929710.db2.gz CJGCZOWIBPWCRL-IBGZPJMESA-N 0 1 376.840 3.740 20 5 GHBDMN O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCCC[C@@H]1Cc1ccccc1F ZINC001460359473 1068940940 /nfs/dbraw/zinc/94/09/40/1068940940.db2.gz YQGPVGSWNWACDC-QZTJIDSGSA-N 0 1 388.439 3.571 20 5 GHBDMN CC(C)c1cc([C@@H]2CCCN(C(=O)C(F)(F)c3ccc([N+](=O)[O-])cc3)C2)n[nH]1 ZINC001471711597 1073192316 /nfs/dbraw/zinc/19/23/16/1073192316.db2.gz LLJVRLDLIGYIRB-CYBMUJFWSA-N 0 1 392.406 3.939 20 5 GHBDMN Cc1c2cc(C)ccc2[nH]c1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC001472503933 1073519261 /nfs/dbraw/zinc/51/92/61/1073519261.db2.gz JNUPUASDJXIVKC-UHFFFAOYSA-N 0 1 376.376 3.730 20 5 GHBDMN Cc1nc2c(F)cccc2cc1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC001472504165 1073519367 /nfs/dbraw/zinc/51/93/67/1073519367.db2.gz VDCNUDQZXNPSGF-UHFFFAOYSA-N 0 1 392.350 3.628 20 5 GHBDMN CC(C)c1cc([C@H]2CCCN(c3c4ccccc4n(C)c(=O)c3[N+](=O)[O-])C2)[nH]n1 ZINC001472868371 1073703619 /nfs/dbraw/zinc/70/36/19/1073703619.db2.gz CYMZOYZNCNHWGT-AWEZNQCLSA-N 0 1 395.463 3.677 20 5 GHBDMN CN(Cc1ccc(Br)cc1[N+](=O)[O-])C[C@]1(O)CCc2ccccc21 ZINC001473577057 1074026699 /nfs/dbraw/zinc/02/66/99/1074026699.db2.gz PJKMPFOHTGIILT-GOSISDBHSA-N 0 1 391.265 3.623 20 5 GHBDMN CC(C)OC(=O)C[C@@H](NCc1ccc([N+](=O)[O-])cc1Br)C(C)C ZINC001473592088 1074036062 /nfs/dbraw/zinc/03/60/62/1074036062.db2.gz XYHVKIKTGLXRST-OAHLLOKOSA-N 0 1 387.274 3.813 20 5 GHBDMN CCOc1ccc(NC(=O)CN[C@]2(c3ccccc3)CC2(C)C)c([N+](=O)[O-])c1 ZINC001473675481 1074079979 /nfs/dbraw/zinc/07/99/79/1074079979.db2.gz PGKJQQNQBNZGPS-NRFANRHFSA-N 0 1 383.448 3.847 20 5 GHBDMN COC(=O)c1cnc(CC2CCN([C@@H](C)c3ccccc3[N+](=O)[O-])CC2)s1 ZINC001473758523 1074126715 /nfs/dbraw/zinc/12/67/15/1074126715.db2.gz XBYRTZZZLGHKOR-ZDUSSCGKSA-N 0 1 389.477 3.854 20 5 GHBDMN COC(=O)c1cnc(CC2CCN([C@H](C)c3ccccc3[N+](=O)[O-])CC2)s1 ZINC001473758522 1074126997 /nfs/dbraw/zinc/12/69/97/1074126997.db2.gz XBYRTZZZLGHKOR-CYBMUJFWSA-N 0 1 389.477 3.854 20 5 GHBDMN COc1ccc(NC(=O)[C@@H](C)N[C@@H](C)COCC2CCCCC2)c([N+](=O)[O-])c1 ZINC001473815613 1074157596 /nfs/dbraw/zinc/15/75/96/1074157596.db2.gz JUQWMUKBKHKEBN-LSDHHAIUSA-N 0 1 393.484 3.505 20 5 GHBDMN COCCOc1cccc(CNCc2ccc(Br)cc2[N+](=O)[O-])c1 ZINC001474248571 1074309044 /nfs/dbraw/zinc/30/90/44/1074309044.db2.gz QAIUETKAAOFTGJ-UHFFFAOYSA-N 0 1 395.253 3.672 20 5 GHBDMN O=[N+]([O-])c1ccc2oc(CNC[C@@H](O)c3ccc(C(F)(F)F)cc3)nc2c1 ZINC001474562280 1074464320 /nfs/dbraw/zinc/46/43/20/1074464320.db2.gz PETBRSCEBBENML-CQSZACIVSA-N 0 1 381.310 3.578 20 5 GHBDMN Cc1ccc(CNS(=O)(=O)c2cccnc2[N+](=O)[O-])c(Oc2ccccc2)c1 ZINC001475076625 1074726571 /nfs/dbraw/zinc/72/65/71/1074726571.db2.gz CLTNBNBBVQFXGY-UHFFFAOYSA-N 0 1 399.428 3.569 20 5 GHBDMN CCc1[nH+]ccn1[C@H]1CCCN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000830328799 604265435 /nfs/dbraw/zinc/26/54/35/604265435.db2.gz VMJVMSBIPIUJOL-NSHDSACASA-N 0 1 378.816 3.547 20 5 GHBDMN CC(C)c1ccc(CNC2(c3cccc(-c4nn[nH]n4)c3)CC2)cc1[N+](=O)[O-] ZINC000824348084 607703829 /nfs/dbraw/zinc/70/38/29/607703829.db2.gz YXXYZZJEAAYOOY-UHFFFAOYSA-N 0 1 378.436 3.677 20 5 GHBDMN C[C@@H](NC(=O)[O-])[C@@H]1CCC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000833811210 605596048 /nfs/dbraw/zinc/59/60/48/605596048.db2.gz AUPNDDJFJLFXBS-TZMCWYRMSA-N 0 1 390.465 3.586 20 5 GHBDMN C[C@@H](NC(=O)[O-])[C@@H]1CCC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000833811210 605596054 /nfs/dbraw/zinc/59/60/54/605596054.db2.gz AUPNDDJFJLFXBS-TZMCWYRMSA-N 0 1 390.465 3.586 20 5 GHBDMN Cc1nc(CN2CCCC23CCN(c2ncc([N+](=O)[O-])cc2C)CC3)cs1 ZINC001164693330 719803981 /nfs/dbraw/zinc/80/39/81/719803981.db2.gz SDXOWADSYFFVMK-UHFFFAOYSA-N 0 1 387.509 3.698 20 5 GHBDMN Cc1cc(N2CCN(CCOc3ccccc3)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC001165044218 721954266 /nfs/dbraw/zinc/95/42/66/721954266.db2.gz JYMZYHRBRRICPM-UHFFFAOYSA-N 0 1 392.459 3.652 20 5 GHBDMN O=[N+]([O-])c1cc2c(cc1CNCc1cccc(-c3cccnc3)c1)OCCO2 ZINC000613333751 837671461 /nfs/dbraw/zinc/67/14/61/837671461.db2.gz FTJPJUPFFNSFGX-UHFFFAOYSA-N 0 1 377.400 3.718 20 5 GHBDMN O=C(c1cc(-c2ccc(Cl)cc2)[nH]n1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000536041645 834444733 /nfs/dbraw/zinc/44/47/33/834444733.db2.gz JGLZOUYTTSUKJU-UHFFFAOYSA-N 0 1 382.807 3.837 20 5 GHBDMN C[C@@H](c1ccncc1)N1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000155441431 837823841 /nfs/dbraw/zinc/82/38/41/837823841.db2.gz LMFMBFBJYZRLCV-ZDUSSCGKSA-N 0 1 388.855 3.599 20 5 GHBDMN Cc1c(Br)cccc1NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000120233642 834958682 /nfs/dbraw/zinc/95/86/82/834958682.db2.gz IAQWTIXTGSAQSR-UHFFFAOYSA-N 0 1 377.241 3.528 20 5 GHBDMN CN(C)[C@H](CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1cccs1 ZINC000179174242 834980661 /nfs/dbraw/zinc/98/06/61/834980661.db2.gz SHRRNKZYGWSZJG-QGZVFWFLSA-N 0 1 388.493 3.633 20 5 GHBDMN Cc1ccc(NC(=O)C(C)(C)C)cc1NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000120250550 834982458 /nfs/dbraw/zinc/98/24/58/834982458.db2.gz DFEROJGPKIJYEB-UHFFFAOYSA-N 0 1 397.478 3.750 20 5 GHBDMN NC(=O)c1ccc(NC[C@@H](c2ccccc2Cl)N2CCCC2)c([N+](=O)[O-])c1 ZINC000024154230 835014216 /nfs/dbraw/zinc/01/42/16/835014216.db2.gz VQQQWXMHRUQAFN-SFHVURJKSA-N 0 1 388.855 3.596 20 5 GHBDMN CCN(C)[C@H](C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 ZINC000728599597 835342308 /nfs/dbraw/zinc/34/23/08/835342308.db2.gz IZXZLTMGAPCIHE-SFHVURJKSA-N 0 1 375.856 3.900 20 5 GHBDMN C[C@H](N[C@@H](C)c1cccc(OC(F)F)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000179588907 835886823 /nfs/dbraw/zinc/88/68/23/835886823.db2.gz UEOQSALSPZXUHR-RYUDHWBXSA-N 0 1 379.363 3.874 20 5 GHBDMN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179633826 835917255 /nfs/dbraw/zinc/91/72/55/835917255.db2.gz DSNUECLFLIKLCS-NSHDSACASA-N 0 1 390.831 3.655 20 5 GHBDMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000179826413 836063842 /nfs/dbraw/zinc/06/38/42/836063842.db2.gz JFOWYFFUWVBAKG-UHFFFAOYSA-N 0 1 399.313 3.503 20 5 GHBDMN O=[N+]([O-])c1ccc(CN[C@@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)cc1 ZINC000136679523 836312975 /nfs/dbraw/zinc/31/29/75/836312975.db2.gz JGARCEJCCVXXBH-OAHLLOKOSA-N 0 1 377.326 3.611 20 5 GHBDMN Cc1ccc([N+](=O)[O-])c(C)c1NS(=O)(=O)c1ccccc1Br ZINC000180159250 836423139 /nfs/dbraw/zinc/42/31/39/836423139.db2.gz QDCREBJVCBZDSZ-UHFFFAOYSA-N 0 1 385.239 3.775 20 5 GHBDMN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)c1cn[nH]c1-c1cccc(OC(F)F)c1 ZINC000473342154 844221197 /nfs/dbraw/zinc/22/11/97/844221197.db2.gz FPWYBMYZKPDRJZ-UHFFFAOYSA-N 0 1 392.293 3.978 20 5 GHBDMN C[C@@H](NCC(=O)Nc1ccc(OC(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180396541 837222248 /nfs/dbraw/zinc/22/22/48/837222248.db2.gz MQJLFNNJQBFAGS-LLVKDONJSA-N 0 1 383.326 3.783 20 5 GHBDMN CC[C@](C)(O)CN(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)Cc1ccccc1 ZINC000189727729 838389151 /nfs/dbraw/zinc/38/91/51/838389151.db2.gz FJDIAGGXLOMBOC-NRFANRHFSA-N 0 1 385.464 3.505 20 5 GHBDMN CSc1cccc(C(=O)NC[C@H](c2cccs2)N2CCCC2)c1[N+](=O)[O-] ZINC000188016845 838479537 /nfs/dbraw/zinc/47/95/37/838479537.db2.gz XUBNJZUDNCBFKC-CQSZACIVSA-N 0 1 391.518 3.945 20 5 GHBDMN COc1ccc(-c2ccc(C[N@H+]3C[C@@H]4CCC[C@@]4(C(=O)[O-])C3)o2)c([N+](=O)[O-])c1 ZINC000414659995 838732411 /nfs/dbraw/zinc/73/24/11/838732411.db2.gz OMWLDWNFZMYEBT-RNODOKPDSA-N 0 1 386.404 3.550 20 5 GHBDMN Cc1cc([C@@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C2CC2)ccc1F ZINC000541325478 838880811 /nfs/dbraw/zinc/88/08/11/838880811.db2.gz MRHMSZKWTZRLIV-IBGZPJMESA-N 0 1 392.452 3.557 20 5 GHBDMN COc1cc(CN2CC[C@H](c3ccncc3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000580391968 839466878 /nfs/dbraw/zinc/46/68/78/839466878.db2.gz UZDIZFDVZTUISQ-ZDUSSCGKSA-N 0 1 379.363 3.589 20 5 GHBDMN NC1(c2noc(-c3ccc(NCc4ccccc4)c([N+](=O)[O-])c3)n2)CCCC1 ZINC000261640397 839488501 /nfs/dbraw/zinc/48/85/01/839488501.db2.gz AESRXORXRUQVHB-UHFFFAOYSA-N 0 1 379.420 3.985 20 5 GHBDMN CCc1ccc(C(=O)NC[C@H](c2cccc(OC)c2)N2CCCC2)cc1[N+](=O)[O-] ZINC000471607662 839981176 /nfs/dbraw/zinc/98/11/76/839981176.db2.gz WTDUGAXYZUJJMV-OAQYLSRUSA-N 0 1 397.475 3.733 20 5 GHBDMN Cc1ccc(Br)c(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000120448074 844559861 /nfs/dbraw/zinc/55/98/61/844559861.db2.gz NFQALHNKZDPRHW-UHFFFAOYSA-N 0 1 385.239 3.775 20 5 GHBDMN O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1nnc(COc3ccccc3)[n-]1)CCCC2 ZINC000417315432 840712910 /nfs/dbraw/zinc/71/29/10/840712910.db2.gz BNZXXWXOFAUHSA-LJQANCHMSA-N 0 1 393.447 3.849 20 5 GHBDMN Cc1ccc([C@@H](CN2CCOCC2)N[C@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000566475267 840811774 /nfs/dbraw/zinc/81/17/74/840811774.db2.gz LRHDEBDUPQKHEP-LEWJYISDSA-N 0 1 381.476 3.554 20 5 GHBDMN O=C(N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000511842690 840914190 /nfs/dbraw/zinc/91/41/90/840914190.db2.gz LSVPRLUXJXYTRE-MRXNPFEDSA-N 0 1 393.365 3.618 20 5 GHBDMN CN(C[C@H]1CCCO[C@H]1c1ccccc1)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000050863871 840947941 /nfs/dbraw/zinc/94/79/41/840947941.db2.gz LGRFDBOHJGCDRT-QRWLVFNGSA-N 0 1 394.431 3.711 20 5 GHBDMN Cc1ccc(C(=O)OCc2nc3ccc(Br)cc3[nH]2)cc1[N+](=O)[O-] ZINC000780525918 840958385 /nfs/dbraw/zinc/95/83/85/840958385.db2.gz KWNSXDZLTZSUAC-UHFFFAOYSA-N 0 1 390.193 3.899 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NC[C@H]1Cc2ccccc21 ZINC000610261623 841223929 /nfs/dbraw/zinc/22/39/29/841223929.db2.gz YVUUHZKCSRKXBH-SNVBAGLBSA-N 0 1 387.244 3.520 20 5 GHBDMN CN(C)C(=O)C1CCN(Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000162579937 841484675 /nfs/dbraw/zinc/48/46/75/841484675.db2.gz FVWSXFCOYYBTLQ-UHFFFAOYSA-N 0 1 396.491 3.663 20 5 GHBDMN Cc1c([C@@H](C)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)cccc1[N+](=O)[O-] ZINC000157202325 841674370 /nfs/dbraw/zinc/67/43/70/841674370.db2.gz DNYMEJWETDRTOA-HLLBOEOZSA-N 0 1 384.480 3.763 20 5 GHBDMN CCN(CC)[C@H](CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1ccco1 ZINC000109302231 841849846 /nfs/dbraw/zinc/84/98/46/841849846.db2.gz ORVDNQKSOCRJMF-GOSISDBHSA-N 0 1 386.452 3.575 20 5 GHBDMN CC(C)[C@H](CNc1c(Cl)cc([N+](=O)[O-])cc1Cl)N1CCN(C)CC1 ZINC000302232196 861245365 /nfs/dbraw/zinc/24/53/65/861245365.db2.gz DNYHYSHYYUFUCS-HNNXBMFYSA-N 0 1 375.300 3.586 20 5 GHBDMN CCc1nc([C@H](C)NC(=O)c2ccc(SCCC(C)C)c([N+](=O)[O-])c2)n[nH]1 ZINC000477292328 841968556 /nfs/dbraw/zinc/96/85/56/841968556.db2.gz HVQIPPKOICIIST-LBPRGKRZSA-N 0 1 391.497 3.905 20 5 GHBDMN CCN1C[C@H](C)N(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C[C@@H]1C ZINC001266797192 842004706 /nfs/dbraw/zinc/00/47/06/842004706.db2.gz IEGFCTDQAVEOQH-HOTGVXAUSA-N 0 1 382.464 3.893 20 5 GHBDMN CCOC(=O)c1c[nH]c(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)n1 ZINC000585682871 842045480 /nfs/dbraw/zinc/04/54/80/842045480.db2.gz VGSGKFLIVTXAKU-UHFFFAOYSA-N 0 1 396.359 3.539 20 5 GHBDMN C[C@@H]1CN(C[C@@H]2CCCN2c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C[C@@H](C)O1 ZINC000302548718 861298223 /nfs/dbraw/zinc/29/82/23/861298223.db2.gz VKYUSQJRZZDQFZ-LMMKCTJWSA-N 0 1 396.491 3.735 20 5 GHBDMN COc1ccccc1[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)N1CCCCC1 ZINC000055752057 861303005 /nfs/dbraw/zinc/30/30/05/861303005.db2.gz PVHSQWPZTUPGCC-IBGZPJMESA-N 0 1 383.448 3.560 20 5 GHBDMN O=C(CCCc1ccccc1)N[C@@H]1CCCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000510578664 842996813 /nfs/dbraw/zinc/99/68/13/842996813.db2.gz KXVTVWNPLNGTJX-OAQYLSRUSA-N 0 1 395.503 3.741 20 5 GHBDMN Cc1cccc2nc(C3CCN(C(=O)c4n[nH]c(C(C)C)c4[N+](=O)[O-])CC3)oc21 ZINC000548385447 843031550 /nfs/dbraw/zinc/03/15/50/843031550.db2.gz DIMSUESYLCXZMJ-UHFFFAOYSA-N 0 1 397.435 3.911 20 5 GHBDMN COC(=O)COc1ccc(CN[C@@H]2CCc3sc(Cl)cc32)cc1[N+](=O)[O-] ZINC000568102427 843045405 /nfs/dbraw/zinc/04/54/05/843045405.db2.gz SRTVHKVXJPUYLD-GFCCVEGCSA-N 0 1 396.852 3.639 20 5 GHBDMN N=C1Nc2nc3ccccc3n2[C@@H](c2ccc(-c3cccc([N+](=O)[O-])c3)s2)N1 ZINC000028511647 861418452 /nfs/dbraw/zinc/41/84/52/861418452.db2.gz JKIQGDQHHXCTNL-KRWDZBQOSA-N 0 1 390.428 3.769 20 5 GHBDMN COc1cc(C(=O)Nc2nc(-c3ccc(C(C)(C)C)cc3)n[nH]2)ccc1[N+](=O)[O-] ZINC000510803462 843519708 /nfs/dbraw/zinc/51/97/08/843519708.db2.gz NRFLBQPYPZPHFQ-UHFFFAOYSA-N 0 1 395.419 3.938 20 5 GHBDMN CC1(C)C[C@@H](N[C@H]2CCN(Cc3ccccc3)C2=O)c2cc([N+](=O)[O-])ccc21 ZINC000433294468 843981687 /nfs/dbraw/zinc/98/16/87/843981687.db2.gz MCQYZOOYHFTFEO-VQTJNVASSA-N 0 1 379.460 3.708 20 5 GHBDMN CN1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)[C@H]1c1ccccc1 ZINC000491114728 861505095 /nfs/dbraw/zinc/50/50/95/861505095.db2.gz BEKRIKUXUBVBME-IAGOWNOFSA-N 0 1 393.365 3.789 20 5 GHBDMN Cc1cc(S(=O)(=O)Nc2cc(F)ccc2N2CCCCC2)ccc1[N+](=O)[O-] ZINC000261431967 844972673 /nfs/dbraw/zinc/97/26/73/844972673.db2.gz KEZUPMMHCCDSTC-UHFFFAOYSA-N 0 1 393.440 3.833 20 5 GHBDMN O=C(NC[C@@H]1CCCN1Cc1ccccc1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000513216646 845050834 /nfs/dbraw/zinc/05/08/34/845050834.db2.gz GFGFICIEDZNVRS-SFHVURJKSA-N 0 1 379.416 3.735 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N(C)CCCc2cc(-c3ccccc3)n[nH]2)c1[N+](=O)[O-] ZINC000433834779 845458950 /nfs/dbraw/zinc/45/89/50/845458950.db2.gz VDKHZBRGLRRFCN-UHFFFAOYSA-N 0 1 396.451 3.536 20 5 GHBDMN CC[C@H](NCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000182604630 845496643 /nfs/dbraw/zinc/49/66/43/845496643.db2.gz VOEUNTCSAQZHOQ-HNNXBMFYSA-N 0 1 377.828 3.936 20 5 GHBDMN CO[C@@H](C)CCN[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000419249534 845496829 /nfs/dbraw/zinc/49/68/29/845496829.db2.gz PIJPSWXUCZVKAB-UGSOOPFHSA-N 0 1 391.855 3.943 20 5 GHBDMN C[C@@H](OC[C@@H](O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000511082795 846461812 /nfs/dbraw/zinc/46/18/12/846461812.db2.gz UTLBCNGATHAGNI-BEFAXECRSA-N 0 1 392.883 3.861 20 5 GHBDMN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000421792761 846597749 /nfs/dbraw/zinc/59/77/49/846597749.db2.gz QXIAVDOVIWMCIZ-QGZVFWFLSA-N 0 1 391.431 3.974 20 5 GHBDMN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000421792761 846597753 /nfs/dbraw/zinc/59/77/53/846597753.db2.gz QXIAVDOVIWMCIZ-QGZVFWFLSA-N 0 1 391.431 3.974 20 5 GHBDMN COc1ccccc1C[C@H](C)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000502974175 846660771 /nfs/dbraw/zinc/66/07/71/846660771.db2.gz TXLNICHJLNSUPC-ZDUSSCGKSA-N 0 1 395.419 3.596 20 5 GHBDMN COc1cc(C(=O)Nc2cccc3c2CN(CC(C)C)C3)c([N+](=O)[O-])cc1OC ZINC000158266035 847160895 /nfs/dbraw/zinc/16/08/95/847160895.db2.gz CBOGJDVKNWZRPT-UHFFFAOYSA-N 0 1 399.447 3.836 20 5 GHBDMN Cc1[nH]ncc1C1CCN(C(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)CC1 ZINC000599836182 861768869 /nfs/dbraw/zinc/76/88/69/861768869.db2.gz PJBFMIQCPFPBGI-UHFFFAOYSA-N 0 1 380.408 3.586 20 5 GHBDMN C[C@H]1CN(Cc2cccc(Nc3ncnc4sc([N+](=O)[O-])cc43)c2)C[C@H](C)O1 ZINC000582504091 847431284 /nfs/dbraw/zinc/43/12/84/847431284.db2.gz UOBNRJOXQMXKEL-STQMWFEESA-N 0 1 399.476 3.952 20 5 GHBDMN C[C@@H]1C[C@]1(NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccc(Cl)cc1 ZINC000503379463 847654799 /nfs/dbraw/zinc/65/47/99/847654799.db2.gz RAUTXFWUAGUWRJ-ZUOKHONESA-N 0 1 385.851 3.662 20 5 GHBDMN C[C@@H](NCc1cc2c(c(Br)c1)OCO2)c1ccc([N+](=O)[O-])cc1 ZINC000178650614 848218510 /nfs/dbraw/zinc/21/85/10/848218510.db2.gz SPJDDVWGDDUMAH-SNVBAGLBSA-N 0 1 379.210 3.937 20 5 GHBDMN CC[C@H](C)c1nc([C@H](C)NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])n[nH]1 ZINC000277916037 848465542 /nfs/dbraw/zinc/46/55/42/848465542.db2.gz RBOSPAKVXFDSPZ-IUCAKERBSA-N 0 1 385.346 3.736 20 5 GHBDMN Cc1ccc([C@@H](C)N[C@H](C)C(=O)NCc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000178689941 848549316 /nfs/dbraw/zinc/54/93/16/848549316.db2.gz PNMYWNSQTKHTJK-ZIAGYGMSSA-N 0 1 375.856 3.912 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N2CCc3c(cccc3C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000600410537 861916518 /nfs/dbraw/zinc/91/65/18/861916518.db2.gz LFGZXWFWFQKBNV-UHFFFAOYSA-N 0 1 382.342 3.659 20 5 GHBDMN CN(C)C[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000600472739 862087528 /nfs/dbraw/zinc/08/75/28/862087528.db2.gz PIGOSECRTWZYIJ-MRXNPFEDSA-N 0 1 396.274 3.863 20 5 GHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC[C@]2(CCCc3ccccc32)C1 ZINC000440000359 850661404 /nfs/dbraw/zinc/66/14/04/850661404.db2.gz ORBFYQLHOPZPEH-JOCHJYFZSA-N 0 1 390.443 3.981 20 5 GHBDMN COc1ccc(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)c(OC2CCCC2)c1 ZINC000506759346 850787309 /nfs/dbraw/zinc/78/73/09/850787309.db2.gz TVSQTXOHNOXYQA-UHFFFAOYSA-N 0 1 386.404 3.560 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)C1CCN(CCC(F)(F)F)CC1 ZINC000454151851 850993677 /nfs/dbraw/zinc/99/36/77/850993677.db2.gz SOKLTXHQECFJQF-UHFFFAOYSA-N 0 1 388.390 3.784 20 5 GHBDMN Cc1[nH]nc(C(=O)N2CCc3ccccc3[C@H](c3ccccc3)[C@@H]2C)c1[N+](=O)[O-] ZINC000435959093 851024661 /nfs/dbraw/zinc/02/46/61/851024661.db2.gz BRKWOECHQOQAEB-KXBFYZLASA-N 0 1 390.443 3.845 20 5 GHBDMN O=[N+]([O-])c1ccn(CCN2CCC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)n1 ZINC000440312537 851029522 /nfs/dbraw/zinc/02/95/22/851029522.db2.gz FFFXOAGLAISNNH-CYBMUJFWSA-N 0 1 385.251 3.642 20 5 GHBDMN O=C(N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000505737694 851071124 /nfs/dbraw/zinc/07/11/24/851071124.db2.gz ZAFSULZAGCEAFD-FQEVSTJZSA-N 0 1 388.383 3.696 20 5 GHBDMN O=C(N[C@@H](c1ccccc1)c1ccc2[nH]cnc2c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000505737694 851071132 /nfs/dbraw/zinc/07/11/32/851071132.db2.gz ZAFSULZAGCEAFD-FQEVSTJZSA-N 0 1 388.383 3.696 20 5 GHBDMN O=C(N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000505737694 851071138 /nfs/dbraw/zinc/07/11/38/851071138.db2.gz ZAFSULZAGCEAFD-FQEVSTJZSA-N 0 1 388.383 3.696 20 5 GHBDMN Cc1ccc(-c2n[nH]c(NC(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)c2C)o1 ZINC000434439474 851135401 /nfs/dbraw/zinc/13/54/01/851135401.db2.gz PXBSNPDZOVRDIA-UHFFFAOYSA-N 0 1 379.376 3.788 20 5 GHBDMN COc1ccc(CN2CCCO[C@H](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000514085098 851221469 /nfs/dbraw/zinc/22/14/69/851221469.db2.gz SXXXNUBOFFTNIN-MRXNPFEDSA-N 0 1 386.448 3.793 20 5 GHBDMN CCOc1ccc(CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C(C)C)cc1 ZINC000604493443 862250689 /nfs/dbraw/zinc/25/06/89/862250689.db2.gz QZCGHHRTOOZQDE-UHFFFAOYSA-N 0 1 385.464 3.867 20 5 GHBDMN Nc1c(C(=O)Nc2cc(Cl)cc(Br)c2O)cccc1[N+](=O)[O-] ZINC000163072030 862270348 /nfs/dbraw/zinc/27/03/48/862270348.db2.gz YSIQADGWRPZQCT-UHFFFAOYSA-N 0 1 386.589 3.551 20 5 GHBDMN Cc1[nH]nc(C(=O)Nc2ccc3nc(-c4cccc(F)c4)[nH]c3c2)c1[N+](=O)[O-] ZINC000604547054 862296550 /nfs/dbraw/zinc/29/65/50/862296550.db2.gz UCWFKDUJBQVTLZ-UHFFFAOYSA-N 0 1 380.339 3.561 20 5 GHBDMN Cc1cc(S(=O)(=O)Nc2ccc(C(=O)C(C)(C)C)cc2)ccc1[N+](=O)[O-] ZINC000425945388 852004019 /nfs/dbraw/zinc/00/40/19/852004019.db2.gz KNSQEMRBBDKXBO-UHFFFAOYSA-N 0 1 376.434 3.933 20 5 GHBDMN C[C@@H](NC(=O)c1n[nH]c2ccc(Br)cc21)c1cccc([N+](=O)[O-])c1 ZINC000517661299 852233650 /nfs/dbraw/zinc/23/36/50/852233650.db2.gz UPUZMKWGDNHQRE-SECBINFHSA-N 0 1 389.209 3.725 20 5 GHBDMN Cc1ccc([C@H](C)NC(=O)NCCN(C)Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000489441579 852322895 /nfs/dbraw/zinc/32/28/95/852322895.db2.gz TWSTVTCNRQTQPZ-HNNXBMFYSA-N 0 1 388.443 3.535 20 5 GHBDMN CCN(C(=O)c1ccc([O-])c([N+](=O)[O-])c1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000436953403 852542675 /nfs/dbraw/zinc/54/26/75/852542675.db2.gz PAJPOCTUHKFYMW-YJBOKZPZSA-N 0 1 383.448 3.598 20 5 GHBDMN O=C([O-])c1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000517942147 852639622 /nfs/dbraw/zinc/63/96/22/852639622.db2.gz HHFUSGZYJIWOFE-RTBURBONSA-N 0 1 395.459 3.784 20 5 GHBDMN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NC[C@@H]1CCCCC(F)(F)C1 ZINC000489980602 852705010 /nfs/dbraw/zinc/70/50/10/852705010.db2.gz IXKUTAYIJGWNAY-SNVBAGLBSA-N 0 1 382.816 3.742 20 5 GHBDMN C[C@@H](N[C@H](C)c1ccc2n[nH]cc2c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000507245200 852712486 /nfs/dbraw/zinc/71/24/86/852712486.db2.gz WWDOXESYEBTKQH-GHMZBOCLSA-N 0 1 387.827 3.802 20 5 GHBDMN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)Nc2cccc(Cl)c2)c1 ZINC000518189211 853038969 /nfs/dbraw/zinc/03/89/69/853038969.db2.gz WDXLBYVNNVPJPN-UHFFFAOYSA-N 0 1 391.630 3.812 20 5 GHBDMN O=C(NCc1cccc(NC(=O)C2CCCCC2)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000506120292 853493502 /nfs/dbraw/zinc/49/35/02/853493502.db2.gz XXKQJFBHQARPDS-UHFFFAOYSA-N 0 1 397.431 3.749 20 5 GHBDMN NC(=O)c1cccc(NC[C@H](c2cccc(Cl)c2)N2CCCC2)c1[N+](=O)[O-] ZINC000587192548 853648697 /nfs/dbraw/zinc/64/86/97/853648697.db2.gz ZDENHADKLXGZKF-QGZVFWFLSA-N 0 1 388.855 3.596 20 5 GHBDMN CCN(C(=O)c1ccc([N+](=O)[O-])c(Cl)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000760658160 853696801 /nfs/dbraw/zinc/69/68/01/853696801.db2.gz RUCOXFRSIALXTB-QGZVFWFLSA-N 0 1 387.867 3.985 20 5 GHBDMN CSCCCN(C)[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000439499313 853725697 /nfs/dbraw/zinc/72/56/97/853725697.db2.gz ZPIXBDKSWKVTNO-GFCCVEGCSA-N 0 1 394.522 3.730 20 5 GHBDMN Cc1ccc([C@H](C)N[C@@H](C)c2cccc(NS(C)(=O)=O)c2)cc1[N+](=O)[O-] ZINC000164243879 853797871 /nfs/dbraw/zinc/79/78/71/853797871.db2.gz WLKUXPGATHABPD-KBPBESRZSA-N 0 1 377.466 3.687 20 5 GHBDMN CN(CCc1ccccc1[N+](=O)[O-])Cc1cn2ccc(Br)cc2n1 ZINC000571646883 853966593 /nfs/dbraw/zinc/96/65/93/853966593.db2.gz VUOHDJMOFAZYQC-UHFFFAOYSA-N 0 1 389.253 3.680 20 5 GHBDMN C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccc(OCc2ccc(F)cc2)cc1 ZINC000134030313 854318250 /nfs/dbraw/zinc/31/82/50/854318250.db2.gz KCZDDQAWGAFSHH-GFCCVEGCSA-N 0 1 384.367 3.527 20 5 GHBDMN C[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccc(OC(F)F)cc1 ZINC000045341490 854475442 /nfs/dbraw/zinc/47/54/42/854475442.db2.gz IVSNEWPLJKQTKW-VIFPVBQESA-N 0 1 376.319 3.564 20 5 GHBDMN O=[N+]([O-])c1cnc(Sc2nc(-c3ccccc3F)n[nH]2)c(Br)c1 ZINC000301542618 855237751 /nfs/dbraw/zinc/23/77/51/855237751.db2.gz OLFFDGJJJQOJAU-UHFFFAOYSA-N 0 1 396.201 3.828 20 5 GHBDMN O=[N+]([O-])c1ccccc1-c1ccc(CNCc2cccc(N3CCOCC3)c2)o1 ZINC000590190282 855315039 /nfs/dbraw/zinc/31/50/39/855315039.db2.gz SJCRWJOJWCKQJN-UHFFFAOYSA-N 0 1 393.443 3.981 20 5 GHBDMN Cc1ccc(Sc2ccc(C(=O)N3CCC4(CN(C)C4)C3)cc2[N+](=O)[O-])cc1 ZINC000590538147 855488556 /nfs/dbraw/zinc/48/85/56/855488556.db2.gz KMPKFUPINOKJLB-UHFFFAOYSA-N 0 1 397.500 3.832 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N(C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC000273466127 855513126 /nfs/dbraw/zinc/51/31/26/855513126.db2.gz DTTYYUCBOBFGBM-LSDHHAIUSA-N 0 1 390.415 3.573 20 5 GHBDMN C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)[C@@H](C)CN1Cc1ccccc1 ZINC000542714080 855527518 /nfs/dbraw/zinc/52/75/18/855527518.db2.gz PCRPCCYYVXWFOL-GJZGRUSLSA-N 0 1 386.427 3.861 20 5 GHBDMN CCO[C@@H]1C[C@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@]12CCCO2 ZINC000273599891 855765529 /nfs/dbraw/zinc/76/55/29/855765529.db2.gz LSMZVKYSQWKSEZ-YQVWRLOYSA-N 0 1 389.477 3.535 20 5 GHBDMN Cc1c(NC(=O)N[C@@H]2CCCc3cn[nH]c32)cc(Br)cc1[N+](=O)[O-] ZINC000280883018 862730698 /nfs/dbraw/zinc/73/06/98/862730698.db2.gz ZQSPNTQJQZFBMQ-LLVKDONJSA-N 0 1 394.229 3.588 20 5 GHBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1C[C@@H](c2cnn(C)c2)C(C)(C)C1 ZINC000573281758 856008886 /nfs/dbraw/zinc/00/88/86/856008886.db2.gz SJTRVNGKYZSNCL-GUYCJALGSA-N 0 1 396.451 3.565 20 5 GHBDMN CCCN1Cc2cccc(NS(=O)(=O)c3c(C)cc([N+](=O)[O-])cc3C)c2C1 ZINC000542864576 856206582 /nfs/dbraw/zinc/20/65/82/856206582.db2.gz CTHOVGMBAYVECV-UHFFFAOYSA-N 0 1 389.477 3.738 20 5 GHBDMN CCN1CCN(c2ccc(CNc3cc(C)c([N+](=O)[O-])cc3Cl)cn2)CC1 ZINC000301445196 856363807 /nfs/dbraw/zinc/36/38/07/856363807.db2.gz PFXAGGRJBLUREB-UHFFFAOYSA-N 0 1 389.887 3.706 20 5 GHBDMN Cc1ccc(NC(=O)C(C)C)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000172182682 856364680 /nfs/dbraw/zinc/36/46/80/856364680.db2.gz MDVYJCXCSVPUDD-UHFFFAOYSA-N 0 1 391.449 3.607 20 5 GHBDMN Cc1cc(F)cc(C)c1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000485397766 856442852 /nfs/dbraw/zinc/44/28/52/856442852.db2.gz CAFWFZPEIXWFQH-UHFFFAOYSA-N 0 1 390.339 3.753 20 5 GHBDMN CN(C)[C@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000184839740 856455481 /nfs/dbraw/zinc/45/54/81/856455481.db2.gz GKLGFKYJRQJDBH-MRXNPFEDSA-N 0 1 399.344 3.785 20 5 GHBDMN O=C(Nc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000032098094 862805759 /nfs/dbraw/zinc/80/57/59/862805759.db2.gz IPGIACCSVWMQOZ-UHFFFAOYSA-N 0 1 397.412 3.648 20 5 GHBDMN Cc1nc(C)c(CN(Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)s1 ZINC000592131014 856670666 /nfs/dbraw/zinc/67/06/66/856670666.db2.gz PQPKHZCAGHEBTA-QAQDUYKDSA-N 0 1 375.494 3.974 20 5 GHBDMN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc2nc(-c3ccccc3)[nH]c2c1 ZINC000427792867 856719576 /nfs/dbraw/zinc/71/95/76/856719576.db2.gz MAMDUNIXHSLSEG-UHFFFAOYSA-N 0 1 390.403 3.672 20 5 GHBDMN Cc1ccc(S(=O)(=O)CCCNC(C)(C)c2ccccc2[N+](=O)[O-])cc1 ZINC000429238782 856754119 /nfs/dbraw/zinc/75/41/19/856754119.db2.gz OOTYUJFBSWUQEJ-UHFFFAOYSA-N 0 1 376.478 3.592 20 5 GHBDMN Cc1c(NS(=O)(=O)c2ccsc2)cc(Br)cc1[N+](=O)[O-] ZINC000507984318 856772397 /nfs/dbraw/zinc/77/23/97/856772397.db2.gz FDSMRAYEEBHTBW-UHFFFAOYSA-N 0 1 377.241 3.528 20 5 GHBDMN COc1ccccc1[C@H](CNC(=O)c1cc(C)ccc1[N+](=O)[O-])N1CCCCC1 ZINC000173155983 856773947 /nfs/dbraw/zinc/77/39/47/856773947.db2.gz YYELHGDHIPOHSY-FQEVSTJZSA-N 0 1 397.475 3.869 20 5 GHBDMN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccc4[nH]nnc4c3)cc2[N+](=O)[O-])C1 ZINC000508001391 856787524 /nfs/dbraw/zinc/78/75/24/856787524.db2.gz QNVMKIZLLJSQFV-CHWSQXEVSA-N 0 1 394.435 3.601 20 5 GHBDMN C[C@H](COc1ccccc1C(F)(F)F)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000427917410 856858214 /nfs/dbraw/zinc/85/82/14/856858214.db2.gz YLTPNUADZKQIIV-SNVBAGLBSA-N 0 1 384.310 3.517 20 5 GHBDMN CCOc1ccc(NC(=O)CN(C)[C@@H]2CC[C@@H](SCC)C2)c([N+](=O)[O-])c1 ZINC000245457712 856874631 /nfs/dbraw/zinc/87/46/31/856874631.db2.gz UKRMAMAQNWFNAA-UKRRQHHQSA-N 0 1 381.498 3.538 20 5 GHBDMN C[C@@H]1CC[C@H](C(N)=O)CN1Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000159633490 862865206 /nfs/dbraw/zinc/86/52/06/862865206.db2.gz WUSDNTRUYURQBQ-HIFRSBDPSA-N 0 1 387.411 3.612 20 5 GHBDMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000508281398 857133684 /nfs/dbraw/zinc/13/36/84/857133684.db2.gz XGTNLRPYGHKNOK-UHFFFAOYSA-N 0 1 384.358 3.906 20 5 GHBDMN COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000245886398 857189892 /nfs/dbraw/zinc/18/98/92/857189892.db2.gz CYEPYSUALARTGO-OLMNPRSZSA-N 0 1 399.447 3.598 20 5 GHBDMN CC(C)NC(=O)c1ccc(N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000059386679 862884624 /nfs/dbraw/zinc/88/46/24/862884624.db2.gz SDUCTWZUAIBMGT-LJQANCHMSA-N 0 1 396.491 3.810 20 5 GHBDMN CCc1ccc([N+](=O)[O-])cc1NC(=O)Nc1ccc(N2CCN(C)CC2)cc1C ZINC000520899967 857388419 /nfs/dbraw/zinc/38/84/19/857388419.db2.gz GOMKJEHJOHSTCH-UHFFFAOYSA-N 0 1 397.479 3.861 20 5 GHBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCc1ccccc1OC1CCCC1 ZINC000521153969 857672390 /nfs/dbraw/zinc/67/23/90/857672390.db2.gz QXGORNHPPIRWOR-UHFFFAOYSA-N 0 1 394.424 3.534 20 5 GHBDMN Cc1nn(C)c(N2CCN(C3c4ccccc4-c4ccccc43)CC2)c1[N+](=O)[O-] ZINC000301780260 857716699 /nfs/dbraw/zinc/71/66/99/857716699.db2.gz RISDWNXTQDISID-UHFFFAOYSA-N 0 1 389.459 3.529 20 5 GHBDMN CC[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccccc1OC(F)F ZINC000027357425 857896463 /nfs/dbraw/zinc/89/64/63/857896463.db2.gz QOLDNNBOLSJUAH-ZDUSSCGKSA-N 0 1 390.346 3.954 20 5 GHBDMN Cc1nc2c(n1Cc1cc(I)cc([N+](=O)[O-])c1)CCCC2 ZINC000594897227 858298677 /nfs/dbraw/zinc/29/86/77/858298677.db2.gz HVLRHZOJMUFHRL-UHFFFAOYSA-N 0 1 397.216 3.631 20 5 GHBDMN CC[N@@H+](CCC1CCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CC1)CC(C)C ZINC000574814037 858325816 /nfs/dbraw/zinc/32/58/16/858325816.db2.gz VZFFJBIHKLWLNB-UHFFFAOYSA-N 0 1 377.485 3.877 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N2CCC(OCC3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000574867062 858399387 /nfs/dbraw/zinc/39/93/87/858399387.db2.gz ZYPMKVBHVWGLTB-UHFFFAOYSA-N 0 1 378.473 3.643 20 5 GHBDMN Cc1ccc2nc([C@H]3CCCN(C(=O)COc4ccc([N+](=O)[O-])cc4)C3)[nH]c2c1 ZINC000067158705 858457694 /nfs/dbraw/zinc/45/76/94/858457694.db2.gz XIOCZZATIHBYTA-HNNXBMFYSA-N 0 1 394.431 3.565 20 5 GHBDMN O=C([O-])[C@H]1C[C@@H](C2CCCCC2)C[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000595279963 858459516 /nfs/dbraw/zinc/45/95/16/858459516.db2.gz MDLZUFLKJOZQCM-VQIMIIECSA-N 0 1 376.453 3.719 20 5 GHBDMN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000184918454 858703859 /nfs/dbraw/zinc/70/38/59/858703859.db2.gz HASLWNOCLGEQAV-DOTOQJQBSA-N 0 1 397.479 3.565 20 5 GHBDMN COC(=O)c1cnc([C@@H]2CCCN(Cc3cccc([N+](=O)[O-])c3C)C2)s1 ZINC000595913670 858717720 /nfs/dbraw/zinc/71/77/20/858717720.db2.gz JDEWNUPPTQRBGS-CQSZACIVSA-N 0 1 375.450 3.526 20 5 GHBDMN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000185021912 858897107 /nfs/dbraw/zinc/89/71/07/858897107.db2.gz CCJCDGRNKJNIFH-HKUYNNGSSA-N 0 1 385.464 3.710 20 5 GHBDMN COc1cccc(-c2nc(CN[C@@H](C)Cc3ccc(OC)cc3[N+](=O)[O-])co2)c1 ZINC001170325904 881360980 /nfs/dbraw/zinc/36/09/80/881360980.db2.gz BWCPZKLRZSMRAF-AWEZNQCLSA-N 0 1 397.431 3.988 20 5 GHBDMN CCc1nn(C)c(N[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)c1[N+](=O)[O-] ZINC000301921201 859014426 /nfs/dbraw/zinc/01/44/26/859014426.db2.gz DNLVVPHQTJTEHX-AWEZNQCLSA-N 0 1 397.401 3.596 20 5 GHBDMN Cc1ccc(NC(=O)NC[C@@H]2CCCN(Cc3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000069016433 859295781 /nfs/dbraw/zinc/29/57/81/859295781.db2.gz WLUAHUBTXWRXLC-SFHVURJKSA-N 0 1 382.464 3.937 20 5 GHBDMN CC(C)(C(=O)Nc1ccc(F)c(-c2nc[nH]n2)c1)c1ccc([N+](=O)[O-])cc1F ZINC001128482213 859317779 /nfs/dbraw/zinc/31/77/79/859317779.db2.gz IWRKFEJNDPAKHK-UHFFFAOYSA-N 0 1 387.346 3.574 20 5 GHBDMN O=C1C[C@H](NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)[C@H]2CCCCN12 ZINC000509409690 859356535 /nfs/dbraw/zinc/35/65/35/859356535.db2.gz HCLHJWVMGLCLTN-ZWKOTPCHSA-N 0 1 399.422 3.769 20 5 GHBDMN COC(=O)c1cnc([C@@H]2CCCN(Cc3ccc(C)c([N+](=O)[O-])c3)C2)s1 ZINC000597256133 859381354 /nfs/dbraw/zinc/38/13/54/859381354.db2.gz WPHZBGWTJPNZAW-CQSZACIVSA-N 0 1 375.450 3.526 20 5 GHBDMN COCCCC[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000509433812 859435701 /nfs/dbraw/zinc/43/57/01/859435701.db2.gz RBSZCBMWSDXKFT-QGZVFWFLSA-N 0 1 382.420 3.759 20 5 GHBDMN CCc1nc([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)n[nH]1 ZINC000611216723 859652622 /nfs/dbraw/zinc/65/26/22/859652622.db2.gz BAQVUSUWTWRUEG-NSHDSACASA-N 0 1 389.481 3.801 20 5 GHBDMN CCCc1[nH]nc(C(=O)N(C)[C@H](C)c2nc3cc(Cl)ccc3[nH]2)c1[N+](=O)[O-] ZINC000597725330 859767334 /nfs/dbraw/zinc/76/73/34/859767334.db2.gz OJJSHOIYTWEKLH-SECBINFHSA-N 0 1 390.831 3.633 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N(C)[C@H](C)c2nc3cc(Cl)ccc3[nH]2)c1[N+](=O)[O-] ZINC000597725044 859767388 /nfs/dbraw/zinc/76/73/88/859767388.db2.gz LUGYWOJCQZUJAS-SECBINFHSA-N 0 1 390.831 3.804 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N(C)[C@@H](C)c2nc3cc(Cl)ccc3[nH]2)c1[N+](=O)[O-] ZINC000597725045 859768545 /nfs/dbraw/zinc/76/85/45/859768545.db2.gz LUGYWOJCQZUJAS-VIFPVBQESA-N 0 1 390.831 3.804 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N2CC=C(c3c(F)cccc3F)CC2)c1[N+](=O)[O-] ZINC000474416383 860014000 /nfs/dbraw/zinc/01/40/00/860014000.db2.gz RJRHBDKCMSTLGC-UHFFFAOYSA-N 0 1 376.363 3.649 20 5 GHBDMN O=C1CCCN1[C@@H]1CCCN(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602694423 860207188 /nfs/dbraw/zinc/20/71/88/860207188.db2.gz RHXCGCXTVQZJDW-OAHLLOKOSA-N 0 1 385.386 3.591 20 5 GHBDMN Cc1ccc(CN(C)[C@H](CO)c2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000093815512 860355247 /nfs/dbraw/zinc/35/52/47/860355247.db2.gz XOZAFUZRUHRVAZ-QGZVFWFLSA-N 0 1 379.254 3.831 20 5 GHBDMN COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(CC(C)C)cc1 ZINC000093930835 860378269 /nfs/dbraw/zinc/37/82/69/860378269.db2.gz OONMWFWWMZZPHC-UHFFFAOYSA-N 0 1 378.450 3.741 20 5 GHBDMN CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])cn2)C(C)(C)CN1Cc1ccccc1 ZINC000598891822 860653287 /nfs/dbraw/zinc/65/32/87/860653287.db2.gz FWLQOXYQQYCGGV-UHFFFAOYSA-N 0 1 382.464 3.505 20 5 GHBDMN O=C(N[C@@H](CN1CCCC1)c1ccccc1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000603736503 861130379 /nfs/dbraw/zinc/13/03/79/861130379.db2.gz NPQIQGYLTASVJC-SFHVURJKSA-N 0 1 379.416 3.908 20 5 GHBDMN O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000022619631 861167333 /nfs/dbraw/zinc/16/73/33/861167333.db2.gz JKHIKPYIULCZKI-QGZVFWFLSA-N 0 1 389.839 3.521 20 5 GHBDMN O=C(Nc1nc(-c2ccc(Cl)cc2)n[nH]1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000520440812 881688052 /nfs/dbraw/zinc/68/80/52/881688052.db2.gz LOFHCYJNDJMEEP-UHFFFAOYSA-N 0 1 382.767 3.767 20 5 GHBDMN CC(C)c1nc([C@@H](C)NC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)n[nH]1 ZINC000475191008 864495982 /nfs/dbraw/zinc/49/59/82/864495982.db2.gz BUKICLPPZWXDMB-MRVPVSSYSA-N 0 1 386.334 3.738 20 5 GHBDMN CCc1ccc([C@H](COC)NCCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)o1 ZINC000184798209 864946633 /nfs/dbraw/zinc/94/66/33/864946633.db2.gz PMJGGJIWISDPMV-KRWDZBQOSA-N 0 1 385.420 3.925 20 5 GHBDMN Cc1ccc(NC(=O)c2ccc(N3CCN(CC(C)C)CC3)c([N+](=O)[O-])c2)cc1 ZINC000608971354 865866399 /nfs/dbraw/zinc/86/63/99/865866399.db2.gz JGALFZCSKVTIHL-UHFFFAOYSA-N 0 1 396.491 3.934 20 5 GHBDMN C[C@H](C(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000555312963 865887347 /nfs/dbraw/zinc/88/73/47/865887347.db2.gz XJQHFBFMFCEUIU-UGSOOPFHSA-N 0 1 375.856 3.771 20 5 GHBDMN CN1CC[C@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000534018930 865985123 /nfs/dbraw/zinc/98/51/23/865985123.db2.gz MISHWORJUGJKEJ-RDJZCZTQSA-N 0 1 393.365 3.789 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)ccc1OCCc1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000545734655 866106120 /nfs/dbraw/zinc/10/61/20/866106120.db2.gz NGHFEHDIDXBMOH-UHFFFAOYSA-N 0 1 385.767 3.796 20 5 GHBDMN CCN(Cc1cccc(Cl)c1)Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000475565006 866320281 /nfs/dbraw/zinc/32/02/81/866320281.db2.gz VLBINMAYGBNXJZ-UHFFFAOYSA-N 0 1 392.839 3.822 20 5 GHBDMN CCOc1ccc([C@H](C)N[C@@H](CN2CCOCC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000152670879 866849659 /nfs/dbraw/zinc/84/96/59/866849659.db2.gz WSQXDVJQYXGRCZ-PXNSSMCTSA-N 0 1 399.491 3.718 20 5 GHBDMN CNc1ccc(C(=O)N2CCC[C@@H](c3nc4ccc(C)cc4[nH]3)C2)cc1[N+](=O)[O-] ZINC000523343501 867139123 /nfs/dbraw/zinc/13/91/23/867139123.db2.gz FLPWSCBSTKNDFS-OAHLLOKOSA-N 0 1 393.447 3.841 20 5 GHBDMN COc1cc(C(=O)Nc2ccc3nc([C@@H]4CCCO4)[nH]c3c2)ccc1[N+](=O)[O-] ZINC000195323835 882073673 /nfs/dbraw/zinc/07/36/73/882073673.db2.gz XQWZCNGQHBRNCQ-INIZCTEOSA-N 0 1 382.376 3.584 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCO[C@@H](CCc2ccccc2)C1 ZINC000542628323 867509423 /nfs/dbraw/zinc/50/94/23/867509423.db2.gz PWFJHVUDTJXWMV-FQEVSTJZSA-N 0 1 397.475 3.565 20 5 GHBDMN Cc1ccc(-c2nc(C(=O)N=c3ccc4cc([N+](=O)[O-])ccc4[nH]3)cs2)o1 ZINC000440631789 867637768 /nfs/dbraw/zinc/63/77/68/867637768.db2.gz ZQSIACUZPGNXAT-UHFFFAOYSA-N 0 1 380.385 3.842 20 5 GHBDMN CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H](c1ccccc1OC)N1CCCCC1 ZINC000479368855 867637936 /nfs/dbraw/zinc/63/79/36/867637936.db2.gz TXSZLIMKRGDKSU-KRWDZBQOSA-N 0 1 387.484 3.767 20 5 GHBDMN Cc1ccc2nc(NC(=O)c3ccc(Br)cc3[N+](=O)[O-])[nH]c2c1 ZINC000553844037 868352950 /nfs/dbraw/zinc/35/29/50/868352950.db2.gz WFSKKISUNSHCRH-UHFFFAOYSA-N 0 1 375.182 3.794 20 5 GHBDMN CC(C)(C(=O)NC[C@H](c1cccs1)N1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000524143721 868594961 /nfs/dbraw/zinc/59/49/61/868594961.db2.gz PXPQMZFEFHJKCI-QGZVFWFLSA-N 0 1 387.505 3.887 20 5 GHBDMN Cc1cc(NCc2nc(-c3ccc(F)cc3)n[nH]2)c2cccc([N+](=O)[O-])c2n1 ZINC000539548898 869330300 /nfs/dbraw/zinc/33/03/00/869330300.db2.gz CGUHNTNREXRBJF-UHFFFAOYSA-N 0 1 378.367 3.988 20 5 GHBDMN Cc1cc(NCc2n[nH]c(-c3ccc(F)cc3)n2)c2cccc([N+](=O)[O-])c2n1 ZINC000539548898 869330308 /nfs/dbraw/zinc/33/03/08/869330308.db2.gz CGUHNTNREXRBJF-UHFFFAOYSA-N 0 1 378.367 3.988 20 5 GHBDMN CC(C)(C)OC(=O)N1CCC2(CC[N@@H+](Cc3cc([O-])ccc3[N+](=O)[O-])C2)CC1 ZINC000793605131 882310688 /nfs/dbraw/zinc/31/06/88/882310688.db2.gz LKTLLGFFMSCYNM-UHFFFAOYSA-N 0 1 391.468 3.523 20 5 GHBDMN CC(C)c1ccc(CN[C@@H]2CC(=O)N([C@H]3C[C@H]3c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000462752789 870001077 /nfs/dbraw/zinc/00/10/77/870001077.db2.gz BYFPFEFLUZJYDQ-GIVPXCGWSA-N 0 1 393.487 3.965 20 5 GHBDMN CC[C@H](CS(=O)(=O)c1ccccc1)N[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000540145218 870599074 /nfs/dbraw/zinc/59/90/74/870599074.db2.gz YPKMRAMHTBPRAS-JKSUJKDBSA-N 0 1 376.478 3.806 20 5 GHBDMN Cc1ccc(C(=O)N2CCC[C@H](c3nnc(-c4ccccc4)[nH]3)C2)cc1[N+](=O)[O-] ZINC000181334687 870845042 /nfs/dbraw/zinc/84/50/42/870845042.db2.gz SVSMOVAJVWHPSU-KRWDZBQOSA-N 0 1 391.431 3.708 20 5 GHBDMN COc1cc([C@@H](C)NCC(=O)Nc2ccccc2[N+](=O)[O-])ccc1OC(C)C ZINC000540353028 871046845 /nfs/dbraw/zinc/04/68/45/871046845.db2.gz WEBQNYJJNLHWMA-CQSZACIVSA-N 0 1 387.436 3.680 20 5 GHBDMN CC(C)(C)OC(=O)N1CCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@H]1c1ccccc1 ZINC001169038386 871117445 /nfs/dbraw/zinc/11/74/45/871117445.db2.gz YJVQAKITZFHCRB-UHOSZYNNSA-N 0 1 389.496 3.726 20 5 GHBDMN CCc1ccc([C@H]2CCN(CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C2)cc1 ZINC001194714093 871913083 /nfs/dbraw/zinc/91/30/83/871913083.db2.gz HCUCZXFSLOAVET-IBGZPJMESA-N 0 1 379.460 3.536 20 5 GHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)CCN[C@H](c2ccc(Cl)cc2)C2CC2)cc1 ZINC000182178340 871986637 /nfs/dbraw/zinc/98/66/37/871986637.db2.gz NOFCEMZFXXWSFB-SFHVURJKSA-N 0 1 394.880 3.763 20 5 GHBDMN CN(C)[C@H]1CCOc2c(NC(=O)CSc3ccccc3[N+](=O)[O-])cccc21 ZINC000447723906 872211800 /nfs/dbraw/zinc/21/18/00/872211800.db2.gz SBYYGFZSGXUJJA-HNNXBMFYSA-N 0 1 387.461 3.711 20 5 GHBDMN CCOc1ccccc1[C@@H](CC)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000182401310 872284531 /nfs/dbraw/zinc/28/45/31/872284531.db2.gz SZBYMPPKXQBHFG-GOSISDBHSA-N 0 1 392.477 3.508 20 5 GHBDMN O=C(Nc1ccc2nc(-c3ccccn3)[nH]c2c1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000540860234 872332802 /nfs/dbraw/zinc/33/28/02/872332802.db2.gz WAVGSFLETLEORB-UHFFFAOYSA-N 0 1 377.335 3.925 20 5 GHBDMN O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1ccccc1Nc1ccncc1 ZINC000619581632 872769545 /nfs/dbraw/zinc/76/95/45/872769545.db2.gz LLNMSUIGBWCZQX-UHFFFAOYSA-N 0 1 391.431 3.986 20 5 GHBDMN C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)[C@H](C)CN1Cc1ccccc1 ZINC001127247392 872788604 /nfs/dbraw/zinc/78/86/04/872788604.db2.gz WXAAHEBOJYYDNG-FTIBCMOBSA-N 0 1 393.487 3.820 20 5 GHBDMN CN(C)Cc1cc(CNC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)ccc1F ZINC000115748450 882672385 /nfs/dbraw/zinc/67/23/85/882672385.db2.gz HLTDTEDKYOVKNF-UHFFFAOYSA-N 0 1 380.807 3.771 20 5 GHBDMN COc1ccc(NC(=O)CCN2CC[C@@](F)(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000619784372 872998135 /nfs/dbraw/zinc/99/81/35/872998135.db2.gz DVYIMTYQRNWNDO-FQEVSTJZSA-N 0 1 387.411 3.503 20 5 GHBDMN CN(CCc1cccc([N+](=O)[O-])c1)Cc1cn2cc(Br)ccc2n1 ZINC000619785236 872999080 /nfs/dbraw/zinc/99/90/80/872999080.db2.gz OACXZWJRTAXMBR-UHFFFAOYSA-N 0 1 389.253 3.680 20 5 GHBDMN CCc1cc(CNC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)n[nH]1 ZINC000768026024 873032259 /nfs/dbraw/zinc/03/22/59/873032259.db2.gz AIQJFKPRMKCSPZ-UHFFFAOYSA-N 0 1 382.445 3.962 20 5 GHBDMN O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000448607298 873664961 /nfs/dbraw/zinc/66/49/61/873664961.db2.gz RGPQJVKAXNKMNK-FQEVSTJZSA-N 0 1 395.459 3.511 20 5 GHBDMN Cc1ccc(NC(=O)CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)c(Br)c1 ZINC001197660256 873952443 /nfs/dbraw/zinc/95/24/43/873952443.db2.gz MDLLYODTTQQJNH-LBPRGKRZSA-N 0 1 392.253 3.955 20 5 GHBDMN O=C1CCCCN1[C@@H]1CCCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000769342368 873986019 /nfs/dbraw/zinc/98/60/19/873986019.db2.gz LOXWBRYRSSNBPR-MRXNPFEDSA-N 0 1 383.448 3.832 20 5 GHBDMN COc1ccc2c(c1)C[C@H](C)N(C(=O)c1[nH]nc3ccc([N+](=O)[O-])cc31)[C@@H]2C ZINC000541953194 874627516 /nfs/dbraw/zinc/62/75/16/874627516.db2.gz BYNLLIVNQBQOEH-NWDGAFQWSA-N 0 1 380.404 3.628 20 5 GHBDMN Cc1ccc2nc(CNC(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)[nH]c2c1 ZINC000465187920 875273027 /nfs/dbraw/zinc/27/30/27/875273027.db2.gz SKBLNMKQPYIGDK-UHFFFAOYSA-N 0 1 393.428 3.833 20 5 GHBDMN Cc1cc(C)c(CNCc2cc(I)cc([N+](=O)[O-])c2)cn1 ZINC000449733272 875317264 /nfs/dbraw/zinc/31/72/64/875317264.db2.gz GYNANRBKSUXZMS-UHFFFAOYSA-N 0 1 397.216 3.501 20 5 GHBDMN COc1cccc([C@H]2C[C@H](N(C)Cc3cc(OC)c(OC)cc3[N+](=O)[O-])C2)c1 ZINC000449752907 875349435 /nfs/dbraw/zinc/34/94/35/875349435.db2.gz DTQCSOXPZCZRLD-JCNLHEQBSA-N 0 1 386.448 3.999 20 5 GHBDMN CN1CCN(c2ccc(NCc3ccc(-c4ccccc4[N+](=O)[O-])o3)cn2)CC1 ZINC001201364324 875642020 /nfs/dbraw/zinc/64/20/20/875642020.db2.gz CJQXBTIATZFOGM-UHFFFAOYSA-N 0 1 393.447 3.614 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)Cc1ccc(Br)o1 ZINC000030217586 875937445 /nfs/dbraw/zinc/93/74/45/875937445.db2.gz UHOHKDBRXSMKHJ-UHFFFAOYSA-N 0 1 396.241 3.719 20 5 GHBDMN Cc1ccc(NC(=O)[C@H](c2ccccc2)N(C)CC2(O)CCCC2)c([N+](=O)[O-])c1 ZINC000443869011 876091735 /nfs/dbraw/zinc/09/17/35/876091735.db2.gz OEUQARBRMFLRIX-FQEVSTJZSA-N 0 1 397.475 3.820 20 5 GHBDMN CCN(C[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)C1)CC(F)(F)F ZINC000176411439 876318822 /nfs/dbraw/zinc/31/88/22/876318822.db2.gz IKPGNPPOOZRVEW-LBPRGKRZSA-N 0 1 379.810 3.954 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)CC1(N2CCOCC2)CCCC1 ZINC000786102279 876446450 /nfs/dbraw/zinc/44/64/50/876446450.db2.gz XDGPRAJRNKIRKO-INIZCTEOSA-N 0 1 376.453 3.543 20 5 GHBDMN COC(=O)COc1ccc(CN(C)c2cc(C)nc3ccc([N+](=O)[O-])cc32)cc1 ZINC000475745416 883053577 /nfs/dbraw/zinc/05/35/77/883053577.db2.gz VTCYTSRGNRRENR-UHFFFAOYSA-N 0 1 395.415 3.640 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@H](C)c1ccc(N2CCCNC2=O)cc1 ZINC000850471065 876949953 /nfs/dbraw/zinc/94/99/53/876949953.db2.gz LUZREYGNTAXVBS-HUUCEWRRSA-N 0 1 398.463 3.935 20 5 GHBDMN CCC[C@H](C)NC(=O)[C@H]1CCCN(Cc2ccc([N+](=O)[O-])c(OCC)c2)C1 ZINC000492695986 877363312 /nfs/dbraw/zinc/36/33/12/877363312.db2.gz LJNWTFHVWHKDBO-RDJZCZTQSA-N 0 1 377.485 3.510 20 5 GHBDMN Cc1sc(C(C)(C)NCCn2ccc([N+](=O)[O-])n2)nc1-c1ccccc1F ZINC000451166406 877500203 /nfs/dbraw/zinc/50/02/03/877500203.db2.gz ODTJQJDGZUBALD-UHFFFAOYSA-N 0 1 389.456 3.887 20 5 GHBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@@H](CO)[C@H]2CC)cc1OC ZINC000451250267 877661644 /nfs/dbraw/zinc/66/16/44/877661644.db2.gz DDWRMGWYBONIJO-YQQAZPJKSA-N 0 1 380.485 3.621 20 5 GHBDMN CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000451271351 877688516 /nfs/dbraw/zinc/68/85/16/877688516.db2.gz DPIBVAMKQWXHDL-AWEZNQCLSA-N 0 1 382.342 3.788 20 5 GHBDMN Cc1nn(-c2ccccc2C)c(C)c1CN(C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776580759 878195670 /nfs/dbraw/zinc/19/56/70/878195670.db2.gz ZYKZESLUSCXTIX-JOCHJYFZSA-N 0 1 394.475 3.871 20 5 GHBDMN C[C@@H](Nc1cccc(CN2C[C@@H](C)O[C@@H](C)C2)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788704251 878267308 /nfs/dbraw/zinc/26/73/08/878267308.db2.gz NVDWSZFTLAUJFH-OWCLPIDISA-N 0 1 384.480 3.959 20 5 GHBDMN CN(C)[C@H](CNC(=O)CCc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000530790381 878487840 /nfs/dbraw/zinc/48/78/40/878487840.db2.gz GOTDETOUNCDPAZ-GOSISDBHSA-N 0 1 375.856 3.600 20 5 GHBDMN C[C@@H](N[C@@H](C)C(=O)Nc1ccc(N2CCCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180397929 878858152 /nfs/dbraw/zinc/85/81/52/878858152.db2.gz KWLRHOHOZWQGCE-CVEARBPZSA-N 0 1 382.464 3.873 20 5 GHBDMN Cc1cnc(COC(=O)c2ccc(-c3nnc(C4CC4)[nH]3)cc2)c(C)c1[N+](=O)[O-] ZINC000789441302 878979550 /nfs/dbraw/zinc/97/95/50/878979550.db2.gz QWXHUUSVACHRJL-UHFFFAOYSA-N 0 1 393.403 3.626 20 5 GHBDMN COc1cc(/C=C2/C(=O)Nc3cc(Br)ccc32)cc([N+](=O)[O-])c1O ZINC000180573407 879060732 /nfs/dbraw/zinc/06/07/32/879060732.db2.gz MDLDEAVHPHWDBQ-NYYWCZLTSA-N 0 1 391.177 3.564 20 5 GHBDMN Cc1ccc(NC(=O)[C@H](N[C@H]2CCC[C@]2(C)CO)c2ccccc2)c([N+](=O)[O-])c1 ZINC000493442516 879438314 /nfs/dbraw/zinc/43/83/14/879438314.db2.gz MOPDZKARCAMAHK-TUNNFDKTSA-N 0 1 397.475 3.724 20 5 GHBDMN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000031565079 879702593 /nfs/dbraw/zinc/70/25/93/879702593.db2.gz QPKSTNNYGFVAMD-INIZCTEOSA-N 0 1 385.489 3.711 20 5 GHBDMN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(-c2ccccn2)n[nH]1 ZINC000181143729 879858050 /nfs/dbraw/zinc/85/80/50/879858050.db2.gz BFHCLPMOAHFRAR-UHFFFAOYSA-N 0 1 384.421 3.528 20 5 GHBDMN CN(C)[C@@H]1CCOc2c(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cccc21 ZINC000791039737 880166621 /nfs/dbraw/zinc/16/66/21/880166621.db2.gz XBMQDLAMNXLEJY-MRXNPFEDSA-N 0 1 375.812 3.886 20 5 GHBDMN O=C(N[C@H]1CCc2nc(C3CCCCC3)[nH]c2C1)c1ccc(F)cc1[N+](=O)[O-] ZINC000791269117 880295382 /nfs/dbraw/zinc/29/53/82/880295382.db2.gz AKILWKUASCOQQT-AWEZNQCLSA-N 0 1 386.427 3.792 20 5 GHBDMN CCOC(=O)c1cnn(C2CCN([C@H](C)c3ccc(C)c([N+](=O)[O-])c3)CC2)c1 ZINC000453280734 880723289 /nfs/dbraw/zinc/72/32/89/880723289.db2.gz MASIYLBSRWMWNA-OAHLLOKOSA-N 0 1 386.452 3.675 20 5 GHBDMN CCn1cc([C@H](O)CN(Cc2ccccc2)Cc2ccc(C)c([N+](=O)[O-])c2)cn1 ZINC000792187490 880975922 /nfs/dbraw/zinc/97/59/22/880975922.db2.gz HTOVQPQYOBFTBD-JOCHJYFZSA-N 0 1 394.475 3.855 20 5 GHBDMN CC[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1OCC(=O)N(C)C ZINC000173333244 881082888 /nfs/dbraw/zinc/08/28/88/881082888.db2.gz SYDOFCCSZLMEFS-KXBFYZLASA-N 0 1 385.464 3.864 20 5 GHBDMN CCN1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)CC1 ZINC000609522528 883296219 /nfs/dbraw/zinc/29/62/19/883296219.db2.gz VYDPOJHFUVAGCS-UHFFFAOYSA-N 0 1 385.489 3.914 20 5 GHBDMN Cc1c(CC(=O)N2C[C@H](C)N(Cc3ccccc3)[C@@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC001130458496 884263364 /nfs/dbraw/zinc/26/33/64/884263364.db2.gz OIQIVJOPLJLXRE-YTQUADARSA-N 0 1 395.503 3.956 20 5 GHBDMN O=C([O-])/C=C/c1ccc(NCCC[N@H+]2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000914787234 884791071 /nfs/dbraw/zinc/79/10/71/884791071.db2.gz GIDCOTFQSJLOBC-VQHVLOKHSA-N 0 1 381.432 3.553 20 5 GHBDMN CC[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1ccc(C)c(F)c1 ZINC001168484222 885146470 /nfs/dbraw/zinc/14/64/70/885146470.db2.gz AJGBZEREDNDBBU-MRXNPFEDSA-N 0 1 375.400 3.730 20 5 GHBDMN CC(C)[C@H](CO)N(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1ccccc1 ZINC000173413481 885170492 /nfs/dbraw/zinc/17/04/92/885170492.db2.gz MYXITPHKLCGVTJ-IBGZPJMESA-N 0 1 396.447 3.664 20 5 GHBDMN COc1ccc2nc(SCCC(=O)Nc3ccc([N+](=O)[O-])cc3C)[nH]c2c1 ZINC000026244096 885224210 /nfs/dbraw/zinc/22/42/10/885224210.db2.gz MASKVUSOPJXGHO-UHFFFAOYSA-N 0 1 386.433 3.909 20 5 GHBDMN CC(C)[C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC001131028607 885646172 /nfs/dbraw/zinc/64/61/72/885646172.db2.gz ZURKILNTYSJDOJ-NRFANRHFSA-N 0 1 381.476 3.506 20 5 GHBDMN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)CCc1ccc(F)cc1 ZINC000055022996 885982632 /nfs/dbraw/zinc/98/26/32/885982632.db2.gz QYZPIWQAOGBOIK-LBPRGKRZSA-N 0 1 379.819 3.889 20 5 GHBDMN C[C@@H]1C[C@H](c2ccc(F)cc2)CN1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000532579524 886164216 /nfs/dbraw/zinc/16/42/16/886164216.db2.gz OZQNWAFSYXLEAA-PBHICJAKSA-N 0 1 383.423 3.501 20 5 GHBDMN C[C@@H](CNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CCc2ccccc2C1 ZINC000915308723 886299840 /nfs/dbraw/zinc/29/98/40/886299840.db2.gz OUZYAQOTCLUGNE-ZDUSSCGKSA-N 0 1 388.855 3.817 20 5 GHBDMN CC(C)S(=O)(=O)CCN[C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000808726413 886709571 /nfs/dbraw/zinc/70/95/71/886709571.db2.gz BAECDPQYUZGVDD-ZDUSSCGKSA-N 0 1 382.507 3.797 20 5 GHBDMN CCC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1 ZINC000794579117 887465172 /nfs/dbraw/zinc/46/51/72/887465172.db2.gz PUERJCWJCKDXQS-UHFFFAOYSA-N 0 1 386.788 3.781 20 5 GHBDMN O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc(-c3ccn4cncc4c3)no2)c1 ZINC000809494389 887485557 /nfs/dbraw/zinc/48/55/57/887485557.db2.gz ZMWSFUCEDPSZHO-UHFFFAOYSA-N 0 1 376.376 3.560 20 5 GHBDMN Cc1cc(Sc2ncccn2)ccc1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000475917535 888428080 /nfs/dbraw/zinc/42/80/80/888428080.db2.gz GNYHMRHPJVDNPC-UHFFFAOYSA-N 0 1 382.401 3.802 20 5 GHBDMN Cc1nn(CN2CC[C@]3(C2)CCc2ccccc2O3)c2cc([N+](=O)[O-])ccc12 ZINC000811782294 889956104 /nfs/dbraw/zinc/95/61/04/889956104.db2.gz NCWLMZISKMCGBJ-NRFANRHFSA-N 0 1 378.432 3.680 20 5 GHBDMN Cc1ccc([C@@H](C)NCC(=O)Nc2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000533202405 889990339 /nfs/dbraw/zinc/99/03/39/889990339.db2.gz HRBOZPDBRLZFLS-GFCCVEGCSA-N 0 1 392.253 3.955 20 5 GHBDMN O=C(CN1C[C@@H]2CCC[C@H]2C1)Nc1cc(N2C[C@@H]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000533345755 890303539 /nfs/dbraw/zinc/30/35/39/890303539.db2.gz NINBMRAWXRJKFC-XLAORIBOSA-N 0 1 398.507 3.502 20 5 GHBDMN O=C(Nc1n[nH]c2cnc(Br)cc12)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001170686548 890966859 /nfs/dbraw/zinc/96/68/59/890966859.db2.gz HJIBGAXKTGPNAN-UHFFFAOYSA-N 0 1 396.588 3.534 20 5 GHBDMN Cc1ccc([N+](=O)[O-])c(C)c1CNCc1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000873022238 891433409 /nfs/dbraw/zinc/43/34/09/891433409.db2.gz LKWQRIUVJGNNCT-FQEVSTJZSA-N 0 1 383.448 3.619 20 5 GHBDMN CC(C)(C)OC(=O)N1CCC2(C[C@@H]2NCc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000813787317 891972824 /nfs/dbraw/zinc/97/28/24/891972824.db2.gz ZRTXQCVLPUYFGB-INIZCTEOSA-N 0 1 379.432 3.613 20 5 GHBDMN COc1cc(CN[C@@H](C)c2ccc(N3CCCOC3=O)cc2)ccc1[N+](=O)[O-] ZINC000814661200 893023391 /nfs/dbraw/zinc/02/33/91/893023391.db2.gz LJEMITKKNPPEOL-AWEZNQCLSA-N 0 1 385.420 3.801 20 5 GHBDMN CC1(NS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCC(F)(F)CC1 ZINC000815031998 893384805 /nfs/dbraw/zinc/38/48/05/893384805.db2.gz NETYDJKRLCTERJ-UHFFFAOYSA-N 0 1 386.779 3.634 20 5 GHBDMN C[C@@H](C[C@@H](O)c1ccco1)NCc1cc(Br)c([N+](=O)[O-])s1 ZINC000877128172 893498955 /nfs/dbraw/zinc/49/89/55/893498955.db2.gz DVMDGXJISZPPCW-GZMMTYOYSA-N 0 1 375.244 3.614 20 5 GHBDMN COc1cccc([C@H](C)N[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000774854884 913779904 /nfs/dbraw/zinc/77/99/04/913779904.db2.gz LAUFGOZAZVNUKF-RYUDHWBXSA-N 0 1 377.828 3.935 20 5 GHBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000556054308 893567795 /nfs/dbraw/zinc/56/77/95/893567795.db2.gz JMFHLQHFPKXNNU-LBPRGKRZSA-N 0 1 384.440 3.858 20 5 GHBDMN C[C@@H]1CN(Cc2ccccc2)CCN1c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC001185403437 913840605 /nfs/dbraw/zinc/84/06/05/913840605.db2.gz IFKAVCPBVCOXGR-CQSZACIVSA-N 0 1 377.391 3.907 20 5 GHBDMN C[N@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)[C@H]1c1cccs1 ZINC000563961204 894375659 /nfs/dbraw/zinc/37/56/59/894375659.db2.gz ZHEFDOZGFSEEEW-PXAZEXFGSA-N 0 1 375.450 3.850 20 5 GHBDMN Cc1ccc([C@@H](C)NCC(=O)N[C@@H](C)Cc2c(F)cccc2F)cc1[N+](=O)[O-] ZINC000537176776 894499381 /nfs/dbraw/zinc/49/93/81/894499381.db2.gz YDNSWDDZMLVYIC-UONOGXRCSA-N 0 1 391.418 3.579 20 5 GHBDMN O=C(NC[C@H](c1cccs1)N1CCCC1)c1cccc([N+](=O)[O-])c1Cl ZINC000816815102 895108716 /nfs/dbraw/zinc/10/87/16/895108716.db2.gz MNIVKFWYGVOUMZ-CQSZACIVSA-N 0 1 379.869 3.877 20 5 GHBDMN COc1cc(CN2CC[C@@H](c3nccs3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000880319444 895637146 /nfs/dbraw/zinc/63/71/46/895637146.db2.gz GUMFXYDJSQSURD-LLVKDONJSA-N 0 1 399.419 3.693 20 5 GHBDMN C[C@@H]1C[C@@H](CCNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000566293281 896221020 /nfs/dbraw/zinc/22/10/20/896221020.db2.gz LJXNNMHMGXFAKG-VQIMIIECSA-N 0 1 397.475 3.935 20 5 GHBDMN CC(C)(C)N1CCc2nc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)sc2C1 ZINC000819679201 896902191 /nfs/dbraw/zinc/90/21/91/896902191.db2.gz XRIUCJHIUDKCOM-RMKNXTFCSA-N 0 1 386.477 3.860 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2cnn(CN3CC4(CCC4)[C@H]3C3CCOCC3)c2)cc1 ZINC000819903302 897044551 /nfs/dbraw/zinc/04/45/51/897044551.db2.gz KERTZXMFJZQBBI-HXUWFJFHSA-N 0 1 382.464 3.697 20 5 GHBDMN C[C@@H]1CCCC[N@H+]1CCC1CCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CC1 ZINC000567978335 897518837 /nfs/dbraw/zinc/51/88/37/897518837.db2.gz BDURZCFUVCZGKK-OAHLLOKOSA-N 0 1 375.469 3.774 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2nc(CNC[C@@]3(O)CCc4ccccc43)cs2)c1 ZINC000132023021 897639453 /nfs/dbraw/zinc/63/94/53/897639453.db2.gz OOOGAUYKPMUPKN-FQEVSTJZSA-N 0 1 381.457 3.642 20 5 GHBDMN O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)Nc2cccc(O)c2F)c1Cl ZINC000821192107 897754378 /nfs/dbraw/zinc/75/43/78/897754378.db2.gz SBUSNHBUJHYGCC-UHFFFAOYSA-N 0 1 381.168 3.547 20 5 GHBDMN C[C@@H](C(=O)Nc1nc(-c2cc3ccccc3o2)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000568826642 898138337 /nfs/dbraw/zinc/13/83/37/898138337.db2.gz XKFWHHWKFMCOBH-LLVKDONJSA-N 0 1 377.360 3.868 20 5 GHBDMN CC(C)(C)c1ccc(-c2nc([C@@H]3CN4CCC[C@@]4(C)CO3)no2)cc1[N+](=O)[O-] ZINC000569530001 898751911 /nfs/dbraw/zinc/75/19/11/898751911.db2.gz FXKOXVKIZXHPBW-JXFKEZNVSA-N 0 1 386.452 3.868 20 5 GHBDMN Cc1ccc(C)c([C@@H]2CN(C(=O)c3n[nH]c(C(C)C)c3[N+](=O)[O-])[C@@H](C)CO2)c1 ZINC000331621062 899031970 /nfs/dbraw/zinc/03/19/70/899031970.db2.gz QFJAVYOYVMVMCR-HOCLYGCPSA-N 0 1 386.452 3.660 20 5 GHBDMN O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[C@H](C(F)(F)F)[C@@H](CO)C2)o1 ZINC000289722318 914314132 /nfs/dbraw/zinc/31/41/32/914314132.db2.gz PJYZCXOGMANYMM-DOMZBBRYSA-N 0 1 384.354 3.848 20 5 GHBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)C[C@@](C)(O)c1ccccc1 ZINC000823598251 899121973 /nfs/dbraw/zinc/12/19/73/899121973.db2.gz GUHYDBZXWRUSRI-VBKZILBWSA-N 0 1 382.420 3.545 20 5 GHBDMN CC(C)c1nc([C@@H]2CCCCN2C(=O)c2ccc(Cl)cc2[N+](=O)[O-])n[nH]1 ZINC000331894791 899249902 /nfs/dbraw/zinc/24/99/02/899249902.db2.gz GXMUCKVKXPDUBD-ZDUSSCGKSA-N 0 1 377.832 3.857 20 5 GHBDMN Cc1cc(F)cc([C@]2(F)CCN(C(=O)c3n[nH]c(C(C)C)c3[N+](=O)[O-])C2)c1 ZINC000332187161 899462430 /nfs/dbraw/zinc/46/24/30/899462430.db2.gz XAKXVXWIXKTIND-SFHVURJKSA-N 0 1 378.379 3.600 20 5 GHBDMN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(SC(F)F)nc2)ccc1Cl ZINC000135246698 900209345 /nfs/dbraw/zinc/20/93/45/900209345.db2.gz HIDAJUKCDPJKMV-UHFFFAOYSA-N 0 1 395.796 3.759 20 5 GHBDMN O=C([O-])/C=C\c1ccc(NC[C@H]2CCC[N@H+]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000844211792 900605269 /nfs/dbraw/zinc/60/52/69/900605269.db2.gz ZHPGVDVKDYLUHE-LECLMCCNSA-N 0 1 381.432 3.769 20 5 GHBDMN C[C@@H]1CCCC[N@H+]1CCC1CCN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000844213418 900608316 /nfs/dbraw/zinc/60/83/16/900608316.db2.gz XRTXRBMXMQTSIN-MRXNPFEDSA-N 0 1 389.496 3.703 20 5 GHBDMN Cc1cc(C[C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)n[nH]1 ZINC000159253827 902774836 /nfs/dbraw/zinc/77/48/36/902774836.db2.gz YLFKHMXJFDIQNP-AWEZNQCLSA-N 0 1 393.447 3.599 20 5 GHBDMN CC(=C(O)Nc1nc(-c2ccccc2Cl)ns1)c1cccc([N+](=O)[O-])c1 ZINC000577690189 903056446 /nfs/dbraw/zinc/05/64/46/903056446.db2.gz JFIMZBQNOSFKQG-JTQLQIEISA-N 0 1 388.836 3.931 20 5 GHBDMN O=[N+]([O-])c1ccc(OC(F)F)c(CN2CCCN3c4ccccc4C[C@@H]3C2)c1 ZINC000578474791 903878806 /nfs/dbraw/zinc/87/88/06/903878806.db2.gz FUMRXLFARNJHTG-QGZVFWFLSA-N 0 1 389.402 3.833 20 5 GHBDMN C[C@H](NCCS(=O)(=O)CC1CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000773067283 904407856 /nfs/dbraw/zinc/40/78/56/904407856.db2.gz VATMWNMIANLXQH-ZDUSSCGKSA-N 0 1 394.518 3.799 20 5 GHBDMN O=C(NC[C@H](c1cccs1)N1CCCC1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000175086658 905446011 /nfs/dbraw/zinc/44/60/11/905446011.db2.gz QXAIKIRWGUUJFH-CQSZACIVSA-N 0 1 379.869 3.877 20 5 GHBDMN CC(C)(C)OC(=O)N1CC2(CCN2[C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172907030 905933219 /nfs/dbraw/zinc/93/32/19/905933219.db2.gz ZNDFWQLNEPRBJI-QGZVFWFLSA-N 0 1 387.480 3.537 20 5 GHBDMN Cc1ccccc1C(=O)N1CCN([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172919563 905990273 /nfs/dbraw/zinc/99/02/73/905990273.db2.gz GPBPJOCIDCKDIO-FQEVSTJZSA-N 0 1 393.487 3.609 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CC[C@@H](Oc3ncccc3C)C2)c1F ZINC001173191142 906272619 /nfs/dbraw/zinc/27/26/19/906272619.db2.gz ARKNNTBJHVFDBO-HUUCEWRRSA-N 0 1 389.427 3.530 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CC[C@@H](Oc3ccc(C)cn3)C2)c1F ZINC001173193621 906277424 /nfs/dbraw/zinc/27/74/24/906277424.db2.gz UQZYXAWHQIAOCK-HUUCEWRRSA-N 0 1 389.427 3.530 20 5 GHBDMN CCn1c2ccccc2nc1N1CCN([C@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173236835 906348154 /nfs/dbraw/zinc/34/81/54/906348154.db2.gz FLBZORPKKXPVJN-QGZVFWFLSA-N 0 1 393.491 3.718 20 5 GHBDMN CNS(=O)(=O)c1ccc(Nc2ccc3cc4ccc(N)cc4nc3c2)cc1 ZINC001174268003 906964005 /nfs/dbraw/zinc/96/40/05/906964005.db2.gz ZDLOMWZLKGCLAI-UHFFFAOYSA-N 0 1 378.457 3.622 20 5 GHBDMN C[C@H](NCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C(=O)N(C)C ZINC000191731082 907186652 /nfs/dbraw/zinc/18/66/52/907186652.db2.gz PPUHJZLGNMPAGN-LBPRGKRZSA-N 0 1 377.828 3.607 20 5 GHBDMN Cc1ccc(CN2CC[C@@H](NC(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC001174832235 907228898 /nfs/dbraw/zinc/22/88/98/907228898.db2.gz KTQQVMSEIMXLAD-SJLPKXTDSA-N 0 1 399.516 3.775 20 5 GHBDMN COc1ccc(CNCc2c(C)nn(-c3ccc(F)cc3)c2C)cc1[N+](=O)[O-] ZINC001177729689 908708606 /nfs/dbraw/zinc/70/86/06/908708606.db2.gz SRUBCFXOVZIJBR-UHFFFAOYSA-N 0 1 384.411 3.835 20 5 GHBDMN CC(C)(C)N1C[C@H](NCc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CC1=O ZINC001177967684 908817713 /nfs/dbraw/zinc/81/77/13/908817713.db2.gz NNOYFBIIKGZRCR-CYBMUJFWSA-N 0 1 391.855 3.997 20 5 GHBDMN CN(c1ccccc1)c1ccc(CN[C@@H]2CCN(C(C)(C)C)C2=O)cc1[N+](=O)[O-] ZINC001179024269 909344117 /nfs/dbraw/zinc/34/41/17/909344117.db2.gz DOKVRSRBPMMMFD-GOSISDBHSA-N 0 1 396.491 3.852 20 5 GHBDMN Cc1ccc(CN[C@H]2CCN(c3ccc(Cl)cc3F)C2=O)cc1[N+](=O)[O-] ZINC001179333015 909494066 /nfs/dbraw/zinc/49/40/66/909494066.db2.gz NOIIVVXNNHBVDN-HNNXBMFYSA-N 0 1 377.803 3.591 20 5 GHBDMN O=C(Nc1nnc(COc2ccc(Cl)cc2)s1)c1ccc([N+](=O)[O-])s1 ZINC001276026985 921507807 /nfs/dbraw/zinc/50/78/07/921507807.db2.gz FHAIBIGCGJZXLL-UHFFFAOYSA-N 0 1 396.837 3.993 20 5 GHBDMN CC(=O)c1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)ccc1F ZINC000795365783 910067846 /nfs/dbraw/zinc/06/78/46/910067846.db2.gz CYRBFUKXJLRUOA-UHFFFAOYSA-N 0 1 386.788 3.699 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N2CCCCC[C@@H]2[C@H]2CCCCC2=O)c1[N+](=O)[O-] ZINC000269449531 910272109 /nfs/dbraw/zinc/27/21/09/910272109.db2.gz GCSMIILMLVYDNW-ZIAGYGMSSA-N 0 1 376.457 3.585 20 5 GHBDMN C[C@H](N[C@H]1CCN(C)[C@@H]1c1ccccc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000284448011 911871251 /nfs/dbraw/zinc/87/12/51/911871251.db2.gz ZWKLTKLDLSPZFJ-ZOCIIQOWSA-N 0 1 393.447 3.741 20 5 GHBDMN C[C@H](N[C@@H]1CCN(C)[C@@H]1c1ccccc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000284448003 911871657 /nfs/dbraw/zinc/87/16/57/911871657.db2.gz ZWKLTKLDLSPZFJ-GDIGMMSISA-N 0 1 393.447 3.741 20 5 GHBDMN Cc1ccc(CC[C@@H](C)NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)o1 ZINC001187397051 915218586 /nfs/dbraw/zinc/21/85/86/915218586.db2.gz MWFUUIBPWSCLMG-SECBINFHSA-N 0 1 390.820 3.588 20 5 GHBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@H](Cc2ccncc2)C1 ZINC000360341022 916069873 /nfs/dbraw/zinc/06/98/73/916069873.db2.gz BRKLQUHJWZRCJU-GOEBONIOSA-N 0 1 379.420 3.665 20 5 GHBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NC[C@@H]1CCCC[C@H]1c1ccccc1 ZINC001190349009 917277357 /nfs/dbraw/zinc/27/73/57/917277357.db2.gz ZZDMSNAZTKNMJA-HOTGVXAUSA-N 0 1 392.452 3.986 20 5 GHBDMN C[C@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1OC(F)F ZINC000295659708 917403872 /nfs/dbraw/zinc/40/38/72/917403872.db2.gz BOVADAHKUPFYDP-RYUDHWBXSA-N 0 1 379.363 3.874 20 5 GHBDMN CC(C)CC[C@@H](O)CN1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC001190810660 917606168 /nfs/dbraw/zinc/60/61/68/917606168.db2.gz RHZRMACCZRIFFK-OAHLLOKOSA-N 0 1 389.418 3.533 20 5 GHBDMN CCC1(CC)[C@H](OC)C[C@H]1N(C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001191744144 918193340 /nfs/dbraw/zinc/19/33/40/918193340.db2.gz ZDAHOOFPKRXIBF-HZPDHXFCSA-N 0 1 383.876 3.712 20 5 GHBDMN C[C@@H](NCC1(OCCO)CCC(C(F)F)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000903264102 922892072 /nfs/dbraw/zinc/89/20/72/922892072.db2.gz QAYSORJKJJRPCP-WHENESEISA-N 0 1 390.402 3.588 20 5 GHBDMN Cn1cc([C@@H](NCc2ccc(Br)c([N+](=O)[O-])c2)C(C)(C)C)cn1 ZINC000748245946 923528589 /nfs/dbraw/zinc/52/85/89/923528589.db2.gz HAGOLMPVBRCLHT-OAHLLOKOSA-N 0 1 381.274 3.968 20 5 GHBDMN Cc1c(C(=O)N[C@@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)ccc2cncn21 ZINC001276046117 924795384 /nfs/dbraw/zinc/79/53/84/924795384.db2.gz UDDSQCTWWAKEPZ-HNNXBMFYSA-N 0 1 396.300 3.723 20 5 GHBDMN Cn1cc(CNCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c(-c2cccnc2)n1 ZINC000373256711 925969240 /nfs/dbraw/zinc/96/92/40/925969240.db2.gz BDPVRONBMAKIMP-UHFFFAOYSA-N 0 1 391.353 3.699 20 5 GHBDMN O=[N+]([O-])c1cccc([C@H](O)CN2CCN(Cc3cccc4ccccc43)CC2)c1 ZINC000749640756 927221324 /nfs/dbraw/zinc/22/13/24/927221324.db2.gz VBUAXMWWRRGJPJ-HSZRJFAPSA-N 0 1 391.471 3.599 20 5 GHBDMN C[C@H]1Cc2ccccc2N1C1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000750094316 927431113 /nfs/dbraw/zinc/43/11/13/927431113.db2.gz CTIJCGDMUFCXBG-AOMKIAJQSA-N 0 1 381.476 3.544 20 5 GHBDMN Cc1ccc(C=Cc2n[nH]c(S[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)n2)o1 ZINC000012840916 927948105 /nfs/dbraw/zinc/94/81/05/927948105.db2.gz SWXBHHBUOXNOQJ-VMPCVLLUSA-N 0 1 399.432 3.904 20 5 GHBDMN COCCCN1Cc2ccc(NC(=S)Nc3ccc([N+](=O)[O-])cc3)cc2C1 ZINC000751024414 927985927 /nfs/dbraw/zinc/98/59/27/927985927.db2.gz HZIILKRAEBRHHT-UHFFFAOYSA-N 0 1 386.477 3.756 20 5 GHBDMN Cc1cc2c[nH]nc2cc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000753081346 929196134 /nfs/dbraw/zinc/19/61/34/929196134.db2.gz HUCTTXYQBVSDGH-UHFFFAOYSA-N 0 1 380.813 3.542 20 5 GHBDMN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccccc2N2CCCC2)c1 ZINC000544625664 929359385 /nfs/dbraw/zinc/35/93/85/929359385.db2.gz GBNZCWYMFMTCOF-UHFFFAOYSA-N 0 1 375.450 3.613 20 5 GHBDMN CC[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC)CC[C@H]1NC(=O)OC(C)(C)C ZINC000757107693 929645822 /nfs/dbraw/zinc/64/58/22/929645822.db2.gz VDUDQMZHPOEAEK-RHSMWYFYSA-N 0 1 393.484 3.729 20 5 GHBDMN C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)c3cc([O-])ccc3[N+](=O)[O-])cc2)C1 ZINC000469506659 929950736 /nfs/dbraw/zinc/95/07/36/929950736.db2.gz KYLJJFZVRNYQOW-IYBDPMFKSA-N 0 1 397.475 3.708 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N2CCC(Cc3ccc(F)c(F)c3)CC2)c1[N+](=O)[O-] ZINC000470574376 930724223 /nfs/dbraw/zinc/72/42/23/930724223.db2.gz NKQIXQZXCJVBPQ-UHFFFAOYSA-N 0 1 392.406 3.814 20 5 GHBDMN CN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000470675295 930812577 /nfs/dbraw/zinc/81/25/77/930812577.db2.gz QHZMKVLVQINWQB-GOSISDBHSA-N 0 1 387.867 3.985 20 5 GHBDMN Cc1ccc([C@@H]2C[C@H](C)[N@H+](Cn3cc([N+](=O)[O-])c(-c4ccncc4)n3)C2)cc1 ZINC000782956098 931374647 /nfs/dbraw/zinc/37/46/47/931374647.db2.gz SWFFYYANTXMPLO-QFBILLFUSA-N 0 1 377.448 3.997 20 5 GHBDMN Cc1ccc([C@@H]2C[C@H](C)N(Cn3cc([N+](=O)[O-])c(-c4ccncc4)n3)C2)cc1 ZINC000782956098 931374655 /nfs/dbraw/zinc/37/46/55/931374655.db2.gz SWFFYYANTXMPLO-QFBILLFUSA-N 0 1 377.448 3.997 20 5 GHBDMN Cc1cc(N2CCCN(c3ncccc3F)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000784019680 931757274 /nfs/dbraw/zinc/75/72/74/931757274.db2.gz VMCNAKSAYREPKA-UHFFFAOYSA-N 0 1 381.411 3.702 20 5 GHBDMN CC(C)c1ccc(C(=O)Nc2ccccc2N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000784024858 931759211 /nfs/dbraw/zinc/75/92/11/931759211.db2.gz WQVQVMFTSUMSAW-UHFFFAOYSA-N 0 1 382.464 3.722 20 5 GHBDMN CC(C)(NC(=O)c1ccc(Nc2ccncc2)cc1)c1ccccc1[N+](=O)[O-] ZINC000557977065 931783520 /nfs/dbraw/zinc/78/35/20/931783520.db2.gz FMOGAFDCGMUDJH-UHFFFAOYSA-N 0 1 376.416 3.820 20 5 GHBDMN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(Cc3csc([N+](=O)[O-])c3)C[C@@H]21 ZINC000784517028 931921874 /nfs/dbraw/zinc/92/18/74/931921874.db2.gz PIQNBPBSEJSPSZ-SOUVJXGZSA-N 0 1 381.498 3.782 20 5 GHBDMN CC[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2OC)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000797519164 932317627 /nfs/dbraw/zinc/31/76/27/932317627.db2.gz XHKSUBVMURXQIP-PBHICJAKSA-N 0 1 393.484 3.729 20 5 GHBDMN O=[N+]([O-])c1cc(F)c(S(=O)(=O)Nc2ccc(Cl)cc2F)cc1Cl ZINC000798246300 932575291 /nfs/dbraw/zinc/57/52/91/932575291.db2.gz AEBFSWRZXCHBLP-UHFFFAOYSA-N 0 1 383.159 3.981 20 5 GHBDMN O=C(NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC001117768127 934013507 /nfs/dbraw/zinc/01/35/07/934013507.db2.gz XKQJGHVWKGDOQB-AYHJJNSGSA-N 0 1 395.459 3.616 20 5 GHBDMN O=C(c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl)N1CCc2nc[nH]c2C12CCC2 ZINC000829061691 935761061 /nfs/dbraw/zinc/76/10/61/935761061.db2.gz LBYCRMHNZWNXLD-UHFFFAOYSA-N 0 1 399.209 3.842 20 5 GHBDMN CN(CCc1ccc(Cl)cc1)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC001137910197 935863490 /nfs/dbraw/zinc/86/34/90/935863490.db2.gz QUEINDZNQMLQKX-UHFFFAOYSA-N 0 1 384.823 3.953 20 5 GHBDMN CC(C)OC[C@@H](C(=O)[O-])[N@H+](C)Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001591712044 975603457 /nfs/dbraw/zinc/60/34/57/975603457.db2.gz PGUYBEQBUISGOP-INIZCTEOSA-N 0 1 396.827 3.818 20 5 GHBDMN CC(C)OC[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001591712044 975603463 /nfs/dbraw/zinc/60/34/63/975603463.db2.gz PGUYBEQBUISGOP-INIZCTEOSA-N 0 1 396.827 3.818 20 5 GHBDMN C[C@](CO)([NH2+]Cc1ccc(-c2ccccc2C(=O)[O-])o1)c1cccc([N+](=O)[O-])c1 ZINC001592751250 979322551 /nfs/dbraw/zinc/32/25/51/979322551.db2.gz UQZBMBXCPLDLLE-OAQYLSRUSA-N 0 1 396.399 3.550 20 5 GHBDMN O=C(NCc1ccccc1)[C@H](NCCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000467972749 1015086830 /nfs/dbraw/zinc/08/68/30/1015086830.db2.gz FMIGVMOTDRMGNM-JOCHJYFZSA-N 0 1 389.455 3.785 20 5 GHBDMN CC(C)[C@@H]1CN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC001591096467 991687673 /nfs/dbraw/zinc/68/76/73/991687673.db2.gz FMEHRPSXXPUUJI-FQEVSTJZSA-N 0 1 383.448 3.640 20 5 GHBDMN CC(C)C[N@@H+](Cc1cccc([N+](=O)[O-])c1Br)CC(C)(C)C(=O)[O-] ZINC001591344122 992328776 /nfs/dbraw/zinc/32/87/76/992328776.db2.gz ODNIGNPLQSNOOG-UHFFFAOYSA-N 0 1 387.274 3.926 20 5 GHBDMN COc1cc(S(=O)(=O)Nc2ccc(C(F)(F)F)c(C)c2)ccc1[N+](=O)[O-] ZINC000469096629 1016470607 /nfs/dbraw/zinc/47/06/07/1016470607.db2.gz YUFDFKNOKZQHHS-UHFFFAOYSA-N 0 1 390.339 3.731 20 5 GHBDMN CC[C@@H](CC(F)(F)F)NS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000831105668 1016897419 /nfs/dbraw/zinc/89/74/19/1016897419.db2.gz QOXJUVYTBUNOIY-LURJTMIESA-N 0 1 395.186 3.911 20 5 GHBDMN COc1ccccc1[C@H](Oc1[nH]c(=O)nc2ccc([N+](=O)[O-])cc21)C(F)(F)F ZINC001227095537 1032269696 /nfs/dbraw/zinc/26/96/96/1032269696.db2.gz KSXSQDWTYMCGKD-AWEZNQCLSA-N 0 1 395.293 3.935 20 5 GHBDMN COc1cc2[nH]ncc2cc1C(=O)Nc1cc2nc3ccccc3nc2cc1N ZINC001154793414 1032285487 /nfs/dbraw/zinc/28/54/87/1032285487.db2.gz KRLOICYXORVIPP-UHFFFAOYSA-N 0 1 384.399 3.502 20 5 GHBDMN O=C1CCc2cc(-c3noc(-c4cc(-c5cccc([N+](=O)[O-])c5)n[nH]4)n3)ccc21 ZINC001212995340 1032288516 /nfs/dbraw/zinc/28/85/16/1032288516.db2.gz UWXKCHNTYJHTAO-UHFFFAOYSA-N 0 1 387.355 3.831 20 5 GHBDMN CSc1nc(O[C@H](C)c2ccc(Br)cc2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001227624778 1032489966 /nfs/dbraw/zinc/48/99/66/1032489966.db2.gz DTTZUXVMXVYBAA-SSDOTTSWSA-N 0 1 386.227 3.715 20 5 GHBDMN CCc1[nH]nc(C(=O)N(Cc2ccc(F)cc2Cl)CC2CC2)c1[N+](=O)[O-] ZINC000561007063 1017772136 /nfs/dbraw/zinc/77/21/36/1017772136.db2.gz FAVAIRGVIHCOLD-UHFFFAOYSA-N 0 1 380.807 3.725 20 5 GHBDMN COc1cc(C(=O)NC[C@@H](c2ccc(Cl)cc2)N(C)C)cc([N+](=O)[O-])c1C ZINC000564788172 1019113825 /nfs/dbraw/zinc/11/38/25/1019113825.db2.gz OKVCTXODGMXXIH-KRWDZBQOSA-N 0 1 391.855 3.598 20 5 GHBDMN C[C@@H](N[C@@H]1CCCc2c(O)cccc21)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000192354081 1020865747 /nfs/dbraw/zinc/86/57/47/1020865747.db2.gz NBYMSBFJNRAHOW-BDJLRTHQSA-N 0 1 389.839 3.948 20 5 GHBDMN C[C@H](N(C)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O)C(C)(C)C ZINC000795407358 1021054720 /nfs/dbraw/zinc/05/47/20/1021054720.db2.gz BJZGZBCCEANVBS-JTQLQIEISA-N 0 1 384.274 3.637 20 5 GHBDMN O=C([O-])[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000901787811 1021447276 /nfs/dbraw/zinc/44/72/76/1021447276.db2.gz SKIVJAUNSRMICY-MRXNPFEDSA-N 0 1 384.310 3.694 20 5 GHBDMN O=[N+]([O-])c1c(F)cc(F)cc1OC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC001228613055 1033005526 /nfs/dbraw/zinc/00/55/26/1033005526.db2.gz OKYPTRRBCKXYCS-INIZCTEOSA-N 0 1 378.375 3.543 20 5 GHBDMN O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc3ccc(O)cc32)ccc1Cl ZINC000749150599 1021759308 /nfs/dbraw/zinc/75/93/08/1021759308.db2.gz FALWLDBIYIMOOU-UHFFFAOYSA-N 0 1 378.793 3.908 20 5 GHBDMN COc1ccc2c(c1)C[C@H](C(C)C)CN2C([O-])=[NH+]c1c(C)cncc1[N+](=O)[O-] ZINC001203066917 1022571023 /nfs/dbraw/zinc/57/10/23/1022571023.db2.gz DSZLTEFQSSKTFJ-HNNXBMFYSA-N 0 1 384.436 3.596 20 5 GHBDMN Cc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1Cl ZINC000836236605 1022754800 /nfs/dbraw/zinc/75/48/00/1022754800.db2.gz XWEGFMAANBTHKZ-UHFFFAOYSA-N 0 1 388.855 3.561 20 5 GHBDMN CC(C)n1cc([C@@H](C)N[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cn1 ZINC000754804842 1022905808 /nfs/dbraw/zinc/90/58/08/1022905808.db2.gz DNJJGHLUIQWLBD-VXGBXAGGSA-N 0 1 379.848 3.703 20 5 GHBDMN COC(=O)c1cc([N+](=O)[O-])c(O[C@@H](C)c2c(Cl)cncc2Cl)cc1O ZINC001228815653 1033116112 /nfs/dbraw/zinc/11/61/12/1033116112.db2.gz WYTCDMFJIZCTSH-ZETCQYMHSA-N 0 1 387.175 3.929 20 5 GHBDMN O=[N+]([O-])c1c(O)cc(C(F)(F)F)nc1OC1CC(OCc2ccccc2)C1 ZINC001228859080 1033140498 /nfs/dbraw/zinc/14/04/98/1033140498.db2.gz IKYSEGABIZUCAL-UHFFFAOYSA-N 0 1 384.310 3.841 20 5 GHBDMN O=C(Cc1cccc(F)c1[N+](=O)[O-])Nc1ccc2oc(CN3CCCC3)nc2c1 ZINC001141466791 1025140449 /nfs/dbraw/zinc/14/04/49/1025140449.db2.gz DKKIWBVAHFVZIZ-UHFFFAOYSA-N 0 1 398.394 3.652 20 5 GHBDMN O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001141557402 1025532779 /nfs/dbraw/zinc/53/27/79/1025532779.db2.gz FWDGNIOMEPRTJZ-OAHLLOKOSA-N 0 1 391.830 3.782 20 5 GHBDMN CSc1cccc([C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])c2ccc(F)c(F)c2)c1 ZINC000839689832 1026205210 /nfs/dbraw/zinc/20/52/10/1026205210.db2.gz AWIPZPCTYUSMGA-KBRIMQKVSA-N 0 1 378.400 3.558 20 5 GHBDMN CN1CCN(c2cc([N+](=O)[O-])cc3c(Cl)ncnc32)[C@H](c2ccccc2)C1 ZINC001163674370 1026278794 /nfs/dbraw/zinc/27/87/94/1026278794.db2.gz KUTIUJKIUNRZPP-KRWDZBQOSA-N 0 1 383.839 3.685 20 5 GHBDMN O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1NCc1nnc([C@@H]2CCOC2)[nH]1 ZINC001163721421 1026294396 /nfs/dbraw/zinc/29/43/96/1026294396.db2.gz IJEIXXBGYLEJFN-SSDOTTSWSA-N 0 1 391.737 3.501 20 5 GHBDMN O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1NCc1n[nH]c([C@@H]2CCOC2)n1 ZINC001163721421 1026294410 /nfs/dbraw/zinc/29/44/10/1026294410.db2.gz IJEIXXBGYLEJFN-SSDOTTSWSA-N 0 1 391.737 3.501 20 5 GHBDMN C[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1c1nc(Cl)nc(Cl)c1[N+](=O)[O-] ZINC001165202352 1026663811 /nfs/dbraw/zinc/66/38/11/1026663811.db2.gz UPMDRHKJEHDBPZ-NWDGAFQWSA-N 0 1 396.278 3.791 20 5 GHBDMN CN(Cc1nc2ccc(C(F)(F)F)cc2[nH]1)C(=O)c1csc([N+](=O)[O-])c1 ZINC001166307660 1026969675 /nfs/dbraw/zinc/96/96/75/1026969675.db2.gz OTNBQNDIZGXYEO-UHFFFAOYSA-N 0 1 384.339 3.824 20 5 GHBDMN O=[N+]([O-])c1ccc(NC2CCN(Cc3ccc(Cl)cc3)CC2)c2nonc21 ZINC000841137218 1028201641 /nfs/dbraw/zinc/20/16/41/1028201641.db2.gz RKAVNJQULHHEFZ-UHFFFAOYSA-N 0 1 387.827 3.861 20 5 GHBDMN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@H]1c2ccccc2CC[C@@H]1F ZINC001213507423 1028231931 /nfs/dbraw/zinc/23/19/31/1028231931.db2.gz RHTQYLUHZHDEHR-ZFWWWQNUSA-N 0 1 384.816 3.552 20 5 GHBDMN O=[N+]([O-])c1cc(O)ccc1-c1nc(-c2cc(F)ccc2Br)no1 ZINC001216891747 1029982874 /nfs/dbraw/zinc/98/28/74/1029982874.db2.gz VDVQANXMLXEDSV-UHFFFAOYSA-N 0 1 380.129 3.919 20 5 GHBDMN O=[N+]([O-])c1cc(O)cc(-c2nc(-c3cc(F)ccc3Br)no2)c1 ZINC001216924359 1030003428 /nfs/dbraw/zinc/00/34/28/1030003428.db2.gz GPCKEGAPSMAYJH-UHFFFAOYSA-N 0 1 380.129 3.919 20 5 GHBDMN CC(C)[C@@H]1CN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC001461603323 1069635156 /nfs/dbraw/zinc/63/51/56/1069635156.db2.gz UNVOUOIUKWNLPU-NRFANRHFSA-N 0 1 399.466 3.645 20 5 GHBDMN C[C@@H](c1ccccn1)N1CCC[C@H](OCc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC001223488521 1030600172 /nfs/dbraw/zinc/60/01/72/1030600172.db2.gz AOTQFCFBEUMENC-KSSFIOAISA-N 0 1 386.408 3.640 20 5 GHBDMN Cc1ccc(C(=O)c2cc([O-])c(OC3CCC4(C[NH2+]C4)CC3)c([N+](=O)[O-])c2)cc1 ZINC001218263441 1030860450 /nfs/dbraw/zinc/86/04/50/1030860450.db2.gz FNAIIYPBSNAZNO-UHFFFAOYSA-N 0 1 396.443 3.751 20 5 GHBDMN Cc1ccc(C(=O)c2cc([O-])c(O[C@H]3CC[NH2+]CC3(C)C)c([N+](=O)[O-])c2)cc1 ZINC001218312684 1030885591 /nfs/dbraw/zinc/88/55/91/1030885591.db2.gz XJKNDDLUNSZSDL-SFHVURJKSA-N 0 1 384.432 3.607 20 5 GHBDMN CC(C)=CCc1c(O)cc2oc3ccc(O)cc3c(=O)c2c1O[C@H]1C[C@@H](O)C1 ZINC001218424438 1030933687 /nfs/dbraw/zinc/93/36/87/1030933687.db2.gz WTTABEMVOAFKNG-OKILXGFUSA-N 0 1 382.412 3.768 20 5 GHBDMN CN(C)C1CN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)C1 ZINC001153183077 1031487337 /nfs/dbraw/zinc/48/73/37/1031487337.db2.gz XVKXTTCAJSJYDE-UHFFFAOYSA-N 0 1 391.880 3.785 20 5 GHBDMN COC(=O)c1c2[nH]ncc2ccc1NC(=O)c1cccc2nc3ccccc3nc21 ZINC001153869278 1031782791 /nfs/dbraw/zinc/78/27/91/1031782791.db2.gz NXUXWCPMYZFHSL-UHFFFAOYSA-N 0 1 397.394 3.698 20 5 GHBDMN C[C@H](c1ccccn1)N1CCC[C@@H](Oc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC001226441502 1031961649 /nfs/dbraw/zinc/96/16/49/1031961649.db2.gz RAANLVQNHRHNGX-GDBMZVCRSA-N 0 1 379.420 3.537 20 5 GHBDMN CCOC(=O)C[C@H](Oc1ccc2c(c1)oc(=O)c1cc(O)ccc21)C(F)(F)F ZINC001229797637 1033723465 /nfs/dbraw/zinc/72/34/65/1033723465.db2.gz IWQPCXJEIGZAMO-INIZCTEOSA-N 0 1 396.317 3.915 20 5 GHBDMN N[C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)N1CCC[C@](O)(CF)CC1 ZINC001157793564 1033773393 /nfs/dbraw/zinc/77/33/93/1033773393.db2.gz ORSIQXASZWQPBO-LADGPHEKSA-N 0 1 394.490 3.576 20 5 GHBDMN Cc1cc(=O)oc2c1ccc(O[C@@H]1CCN([C@@H](C)c3ccccn3)C1)c2[N+](=O)[O-] ZINC001229945730 1033807987 /nfs/dbraw/zinc/80/79/87/1033807987.db2.gz BQODUMGJTSGWIK-LSDHHAIUSA-N 0 1 395.415 3.619 20 5 GHBDMN CC(=O)Nc1ccc([N+](=O)[O-])cc1O[C@@H]1CCCN([C@H](C)c2ccccn2)C1 ZINC001230251285 1033962010 /nfs/dbraw/zinc/96/20/10/1033962010.db2.gz PCIGRFPVJBMFRS-RHSMWYFYSA-N 0 1 384.436 3.553 20 5 GHBDMN CCN1CCC[C@@H](Oc2cc(OC)cc3oc4ccc(OC)c(O)c4c(=O)c23)C1 ZINC001230526416 1034102817 /nfs/dbraw/zinc/10/28/17/1034102817.db2.gz XQMMAPJWDRMYIZ-CYBMUJFWSA-N 0 1 399.443 3.532 20 5 GHBDMN CCOC(=O)c1ccc(O[C@@H]2CCC[N@H+]([C@H](C)c3ccccn3)C2)cc1[N+](=O)[O-] ZINC001230916901 1034286051 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COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccccc1-c1nnc(C(C)C)[nH]1 ZINC000365258502 836308230 /nfs/dbraw/zinc/30/82/30/836308230.db2.gz WQSQZRHKUZEOBI-UHFFFAOYSA-N 0 1 381.392 3.764 20 5 GHBDMN O=C(Nc1cccc(CN2CCSCC2)c1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411743890 836316500 /nfs/dbraw/zinc/31/65/00/836316500.db2.gz JXZIQZQNRWDVMA-VQTJNVASSA-N 0 1 397.500 3.886 20 5 GHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCc2cc(Br)c(Cl)cc21 ZINC000615889173 836379639 /nfs/dbraw/zinc/37/96/39/836379639.db2.gz PNWATXKHVKPDQK-UHFFFAOYSA-N 0 1 397.612 3.919 20 5 GHBDMN Cc1ccc([C@H](C)N[C@@H](C)C(=O)Nc2ccc(-c3c[nH]cn3)cc2)cc1[N+](=O)[O-] ZINC000472576575 836930345 /nfs/dbraw/zinc/93/03/45/836930345.db2.gz GLNIXZGBGRMHJA-GJZGRUSLSA-N 0 1 393.447 3.971 20 5 GHBDMN CN(CCN(C)C1CC1)C(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000275441803 837050990 /nfs/dbraw/zinc/05/09/90/837050990.db2.gz HNXQSSLARDZXFJ-UHFFFAOYSA-N 0 1 385.414 3.538 20 5 GHBDMN O=C(NCCN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000180307267 837057428 /nfs/dbraw/zinc/05/74/28/837057428.db2.gz PXBWRANFVDPWGG-NRFANRHFSA-N 0 1 375.428 3.704 20 5 GHBDMN O=C(NCCN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000180307282 837058056 /nfs/dbraw/zinc/05/80/56/837058056.db2.gz PXBWRANFVDPWGG-OAQYLSRUSA-N 0 1 375.428 3.704 20 5 GHBDMN Cc1nccn1-c1ccc([C@@H](C)NCc2cc([N+](=O)[O-])cc3c2OCOC3)cc1 ZINC000175717608 837118050 /nfs/dbraw/zinc/11/80/50/837118050.db2.gz JNJKQXMQOAGCLB-CQSZACIVSA-N 0 1 394.431 3.806 20 5 GHBDMN O=C(CCN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)NCc1ccccc1 ZINC000180345519 837167778 /nfs/dbraw/zinc/16/77/78/837167778.db2.gz CEADZHCAYYKHPW-HSZRJFAPSA-N 0 1 389.455 3.980 20 5 GHBDMN Cc1ccc2nc([C@@H]3CCCN3C(=O)COc3ccc([N+](=O)[O-])c(C)c3)[nH]c2c1 ZINC000430418269 837205255 /nfs/dbraw/zinc/20/52/55/837205255.db2.gz OHLXVFMILBYWFL-IBGZPJMESA-N 0 1 394.431 3.830 20 5 GHBDMN O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000181365779 838020813 /nfs/dbraw/zinc/02/08/13/838020813.db2.gz IUCQZMKYULDOMG-CQSZACIVSA-N 0 1 395.394 3.539 20 5 GHBDMN Cc1ccc(Br)cc1S(=O)(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000319113279 838266975 /nfs/dbraw/zinc/26/69/75/838266975.db2.gz ZTSSYYVYACUDHU-UHFFFAOYSA-N 0 1 389.202 3.606 20 5 GHBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1cccc(Cl)c1Cl ZINC000103202079 838376898 /nfs/dbraw/zinc/37/68/98/838376898.db2.gz YKYCADFQZQXSCQ-UHFFFAOYSA-N 0 1 378.175 3.939 20 5 GHBDMN CCN(CC)[C@H](CNC(=O)c1cccc(SC)c1[N+](=O)[O-])c1ccco1 ZINC000188090366 838529077 /nfs/dbraw/zinc/52/90/77/838529077.db2.gz KNQGQCPRPUEXKH-CQSZACIVSA-N 0 1 377.466 3.723 20 5 GHBDMN O=C(NC[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1)Nc1cccc(F)c1 ZINC000104060547 838612285 /nfs/dbraw/zinc/61/22/85/838612285.db2.gz OPARRFQRTDPMBC-MRXNPFEDSA-N 0 1 386.427 3.768 20 5 GHBDMN CCN1CCC(NC(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])(C(F)(F)F)CC1 ZINC000891212319 838854786 /nfs/dbraw/zinc/85/47/86/838854786.db2.gz ROLZTNXRIUCXRN-UHFFFAOYSA-N 0 1 393.793 3.703 20 5 GHBDMN COc1c(O)ccc(CN(Cc2ccc(F)cc2)C2CCOCC2)c1[N+](=O)[O-] ZINC000894025028 844405236 /nfs/dbraw/zinc/40/52/36/844405236.db2.gz YEBLQMVMRFXDFT-UHFFFAOYSA-N 0 1 390.411 3.629 20 5 GHBDMN Cc1[nH]nc(C(=O)N2CCC[C@@H](c3cccc(C(F)(F)F)c3)C2)c1[N+](=O)[O-] ZINC000579507406 839151713 /nfs/dbraw/zinc/15/17/13/839151713.db2.gz NSHVXCULPARXHT-GFCCVEGCSA-N 0 1 382.342 3.665 20 5 GHBDMN Cc1ccc([C@@H](C)NCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc1 ZINC000182319203 844424973 /nfs/dbraw/zinc/42/49/73/844424973.db2.gz GWUDVEDLOBLXEU-GFCCVEGCSA-N 0 1 392.253 3.955 20 5 GHBDMN O=C(N[C@@H](c1ccccc1)[C@H]1CCCc2ccccc21)c1n[nH]cc1[N+](=O)[O-] ZINC000120292391 840237030 /nfs/dbraw/zinc/23/70/30/840237030.db2.gz ZDUFBERVDOQOAJ-HKUYNNGSSA-N 0 1 376.416 3.909 20 5 GHBDMN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccccc2N2CCCC2)c1C ZINC000610483215 840770877 /nfs/dbraw/zinc/77/08/77/840770877.db2.gz FRMJKINRRWLBDR-UHFFFAOYSA-N 0 1 375.450 3.613 20 5 GHBDMN Cc1cc(N2CCN([C@H](C)c3nccs3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302197072 861235146 /nfs/dbraw/zinc/23/51/46/861235146.db2.gz PCZNUHLQUNPHMF-CQSZACIVSA-N 0 1 383.477 3.791 20 5 GHBDMN Cc1cc(N2CC[N@@H+](Cc3ccccc3)C[C@H](C)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000581610620 841782922 /nfs/dbraw/zinc/78/29/22/841782922.db2.gz WTSULSZTCWHHON-HNNXBMFYSA-N 0 1 383.448 3.560 20 5 GHBDMN Cc1cc(N2CCC(C(=O)N3CCCCC3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302196042 861236320 /nfs/dbraw/zinc/23/63/20/861236320.db2.gz SQPKNNWLKGBNHM-UHFFFAOYSA-N 0 1 382.464 3.680 20 5 GHBDMN CCc1[nH]nc(C(=O)N2CCC[C@]2(C)Cc2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000593784532 861293625 /nfs/dbraw/zinc/29/36/25/861293625.db2.gz QIHNRHFFTRAAJY-GOSISDBHSA-N 0 1 376.844 3.771 20 5 GHBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC(c2nnc3ccccn32)CC1 ZINC000112337383 842301375 /nfs/dbraw/zinc/30/13/75/842301375.db2.gz LVMXYBVBYVVSTC-UHFFFAOYSA-N 0 1 395.463 3.804 20 5 GHBDMN C[C@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(OCC(F)(F)F)cc1 ZINC000178206798 842480040 /nfs/dbraw/zinc/48/00/40/842480040.db2.gz KFGRCTXYDNFCOW-LBPRGKRZSA-N 0 1 397.353 3.825 20 5 GHBDMN C[C@@H](NCCOc1ccc([N+](=O)[O-])cc1)c1ncc(Br)cc1F ZINC000548306305 842522501 /nfs/dbraw/zinc/52/25/01/842522501.db2.gz QZECORFKYQVRHK-SNVBAGLBSA-N 0 1 384.205 3.621 20 5 GHBDMN CC[C@@H](C)NC(=O)[C@@H](C)NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000101595997 842619296 /nfs/dbraw/zinc/61/92/96/842619296.db2.gz JGTOOJIRTQFXFE-ZIAGYGMSSA-N 0 1 389.427 3.919 20 5 GHBDMN Cc1cc2[nH]ncc2cc1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000276708214 842658457 /nfs/dbraw/zinc/65/84/57/842658457.db2.gz LKPCXNXUEUMMBO-UHFFFAOYSA-N 0 1 379.420 3.635 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN2CCCOCC2)cc1 ZINC000510555567 842959231 /nfs/dbraw/zinc/95/92/31/842959231.db2.gz VJDZYKIJROCLJH-UHFFFAOYSA-N 0 1 378.432 3.670 20 5 GHBDMN CN(Cc1ccc(Br)cc1Cl)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000482368791 843081329 /nfs/dbraw/zinc/08/13/29/843081329.db2.gz FUOKFUBOISXAAL-UHFFFAOYSA-N 0 1 399.628 3.989 20 5 GHBDMN COc1cc(CN2CCCC[C@@H](SC)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000490613437 861387473 /nfs/dbraw/zinc/38/74/73/861387473.db2.gz JTMWGYIFRTXUDI-CYBMUJFWSA-N 0 1 390.452 3.965 20 5 GHBDMN CN(C)[C@H](CNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000548416209 843311999 /nfs/dbraw/zinc/31/19/99/843311999.db2.gz ZROAAPRDNUOQRE-MRXNPFEDSA-N 0 1 380.807 3.812 20 5 GHBDMN COC[C@H](NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000433209222 843872002 /nfs/dbraw/zinc/87/20/02/843872002.db2.gz QUDWARJQKPODHL-PKOBYXMFSA-N 0 1 390.411 3.810 20 5 GHBDMN C[C@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C1(S(C)(=O)=O)CC1 ZINC000512851142 843884757 /nfs/dbraw/zinc/88/47/57/843884757.db2.gz MTFCSSXFIAAYIL-NSHDSACASA-N 0 1 398.868 3.564 20 5 GHBDMN Cc1ccc(CN[C@@](C)(CO)c2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000512899952 843951497 /nfs/dbraw/zinc/95/14/97/843951497.db2.gz VHTLCFCITMOCRM-KRWDZBQOSA-N 0 1 379.254 3.663 20 5 GHBDMN COc1ccccc1N1CC[C@H](N[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1=O ZINC000433288112 843976666 /nfs/dbraw/zinc/97/66/66/843976666.db2.gz LPOZTOFLVBXWMZ-ROUUACIJSA-N 0 1 395.459 3.721 20 5 GHBDMN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N[C@@H]3CCCc4cn[nH]c43)cc2[N+](=O)[O-])C1 ZINC000610833657 844644430 /nfs/dbraw/zinc/64/44/30/844644430.db2.gz MGXKSCYODYKDNW-JKIFEVAISA-N 0 1 397.479 3.608 20 5 GHBDMN Cc1ccc([C@H](C)N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1[N+](=O)[O-] ZINC000178690522 844850915 /nfs/dbraw/zinc/85/09/15/844850915.db2.gz NTNSYJJPPIFZQL-UONOGXRCSA-N 0 1 386.408 3.798 20 5 GHBDMN Cn1ccnc1[C@H](NC[C@@H]1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000611560616 845381962 /nfs/dbraw/zinc/38/19/62/845381962.db2.gz DRQFHDHQTFLHRT-IIBYNOLFSA-N 0 1 376.460 3.812 20 5 GHBDMN C[C@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccc(C(F)(F)F)cc1 ZINC000182421544 845440351 /nfs/dbraw/zinc/44/03/51/845440351.db2.gz CTYUPEBMEJHILT-LBPRGKRZSA-N 0 1 393.365 3.854 20 5 GHBDMN COc1ccccc1CC1CCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])CC1 ZINC000433943937 845641876 /nfs/dbraw/zinc/64/18/76/845641876.db2.gz WTZMLBNZSGLRDF-UHFFFAOYSA-N 0 1 386.452 3.545 20 5 GHBDMN CC(=O)N[C@@H]1CCN(Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC000421390605 846206099 /nfs/dbraw/zinc/20/60/99/846206099.db2.gz OGFQFIBRGHGRLN-MRXNPFEDSA-N 0 1 389.839 3.751 20 5 GHBDMN Cc1cccc(NC(=O)[C@H]2CCCN(C/C=C\c3ccccc3[N+](=O)[O-])C2)n1 ZINC000255021384 846341447 /nfs/dbraw/zinc/34/14/47/846341447.db2.gz WPQNFLGVQZJHHY-ZETNRXDVSA-N 0 1 380.448 3.662 20 5 GHBDMN COc1ccccc1[C@@H]1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000158021918 846363517 /nfs/dbraw/zinc/36/35/17/846363517.db2.gz OJPLHVJHEXSDNM-OAHLLOKOSA-N 0 1 380.404 3.643 20 5 GHBDMN C[C@H](OC[C@H](O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000511082797 846461382 /nfs/dbraw/zinc/46/13/82/846461382.db2.gz UTLBCNGATHAGNI-HNAYVOBHSA-N 0 1 392.883 3.861 20 5 GHBDMN CCCN1C[C@H](CN[C@H](c2ccc(CC)o2)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000421882399 846644437 /nfs/dbraw/zinc/64/44/37/846644437.db2.gz PQEDJFDZTBMSKD-BTYIYWSLSA-N 0 1 385.464 3.688 20 5 GHBDMN Cc1ccc(CN2CCSCC2)cc1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000263826149 846731617 /nfs/dbraw/zinc/73/16/17/846731617.db2.gz SCWRAMJKZYRSNO-UHFFFAOYSA-N 0 1 389.452 3.843 20 5 GHBDMN CN(C(=O)[C@H](Cc1ccccc1)NCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000237076062 847027383 /nfs/dbraw/zinc/02/73/83/847027383.db2.gz JBEARHLFCVWZJB-QFIPXVFZSA-N 0 1 389.455 3.959 20 5 GHBDMN CCn1c2ccccc2nc1[C@@H]1CCCN1C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000434192303 847569311 /nfs/dbraw/zinc/56/93/11/847569311.db2.gz WZMMXNAPFHMMMP-HNNXBMFYSA-N 0 1 396.451 3.788 20 5 GHBDMN CCC(=O)c1ccc(NC[C@H]2CN(Cc3ccccc3)CCCO2)c([N+](=O)[O-])c1 ZINC000479315640 847579259 /nfs/dbraw/zinc/57/92/59/847579259.db2.gz JPROBQDGJZVUNC-IBGZPJMESA-N 0 1 397.475 3.891 20 5 GHBDMN O=C(NCCCO[C@@H]1CCCc2ccccc21)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000303591359 861806267 /nfs/dbraw/zinc/80/62/67/861806267.db2.gz MIWHJMNWQAJVRM-LJQANCHMSA-N 0 1 394.431 3.685 20 5 GHBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCC[C@@H](CCO)C2)cc1OC ZINC000611660874 847830570 /nfs/dbraw/zinc/83/05/70/847830570.db2.gz QRTBPJFNXSFXDH-HOTGVXAUSA-N 0 1 380.485 3.623 20 5 GHBDMN O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CCN(CC2CC2)CC1 ZINC000604180403 861901651 /nfs/dbraw/zinc/90/16/51/861901651.db2.gz UCZZBXBSFRPBES-UHFFFAOYSA-N 0 1 380.448 3.506 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC000612580325 848674739 /nfs/dbraw/zinc/67/47/39/848674739.db2.gz RZZNIALTSYLEBM-QGZVFWFLSA-N 0 1 393.365 3.817 20 5 GHBDMN CC[C@@H](N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(OC)c(OC)c1 ZINC000506639311 850231052 /nfs/dbraw/zinc/23/10/52/850231052.db2.gz IZXZBDDXIUVWDT-SUMWQHHRSA-N 0 1 387.436 3.680 20 5 GHBDMN Cc1nn(Cc2ccc(-c3nc(C4(N)CCCCC4)no3)cc2)c(C)c1[N+](=O)[O-] ZINC000424341017 850398956 /nfs/dbraw/zinc/39/89/56/850398956.db2.gz HWDDSMRDOJACIX-UHFFFAOYSA-N 0 1 396.451 3.625 20 5 GHBDMN CN(C)[C@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1cccs1 ZINC000027676803 850640622 /nfs/dbraw/zinc/64/06/22/850640622.db2.gz HZBZZJQJZYSLIF-CYBMUJFWSA-N 0 1 375.475 3.904 20 5 GHBDMN CC(C)(NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1cccs1 ZINC000543505206 862159997 /nfs/dbraw/zinc/15/99/97/862159997.db2.gz QJMQVDANUQRYQA-UHFFFAOYSA-N 0 1 398.282 3.882 20 5 GHBDMN CC1(C)CN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000729460621 851711596 /nfs/dbraw/zinc/71/15/96/851711596.db2.gz WOHQDEVYLKNICH-RAXLEYEMSA-N 0 1 379.460 3.731 20 5 GHBDMN CC1(C)CN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000729460621 851711601 /nfs/dbraw/zinc/71/16/01/851711601.db2.gz WOHQDEVYLKNICH-RAXLEYEMSA-N 0 1 379.460 3.731 20 5 GHBDMN Cc1ccc([C@H](C)NC(=O)NC[C@H](C)N2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000489327650 852233178 /nfs/dbraw/zinc/23/31/78/852233178.db2.gz YRAVMPRYRQTAOK-IRXDYDNUSA-N 0 1 396.491 3.710 20 5 GHBDMN C[C@@H]1CCCN(c2ccc(C(=O)Nc3ncc(C(F)(F)F)[nH]3)cc2[N+](=O)[O-])C1 ZINC000506919556 852333798 /nfs/dbraw/zinc/33/37/98/852333798.db2.gz XMIHWHYDORBPSK-SNVBAGLBSA-N 0 1 397.357 3.825 20 5 GHBDMN O=C(Nc1ncc(C(F)(F)F)[nH]1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000507028508 852473416 /nfs/dbraw/zinc/47/34/16/852473416.db2.gz YFKLGKCLKJBHQK-UHFFFAOYSA-N 0 1 383.311 3.713 20 5 GHBDMN O=C(Nc1cccc2c1CN(c1nccs1)C2)c1cc(O)cc([N+](=O)[O-])c1 ZINC000507094476 852538990 /nfs/dbraw/zinc/53/89/90/852538990.db2.gz MJCFZCDJBZIECP-UHFFFAOYSA-N 0 1 382.401 3.529 20 5 GHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[C@H](COc2ccccc2Cl)C1 ZINC000507086253 852551736 /nfs/dbraw/zinc/55/17/36/852551736.db2.gz NJOJIJYYCVPZGC-ZDUSSCGKSA-N 0 1 390.823 3.885 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000489766879 852594860 /nfs/dbraw/zinc/59/48/60/852594860.db2.gz CNTBNFXFPMPWQB-LBPRGKRZSA-N 0 1 398.385 3.735 20 5 GHBDMN O=C(Nc1ncc(Cc2ccc(F)cc2F)s1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000505952278 852680108 /nfs/dbraw/zinc/68/01/08/852680108.db2.gz HEOZKKDCXWNSMU-UHFFFAOYSA-N 0 1 391.355 3.878 20 5 GHBDMN C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000323769332 852736431 /nfs/dbraw/zinc/73/64/31/852736431.db2.gz YVHZISSTUSKTQZ-OAHLLOKOSA-N 0 1 387.867 3.842 20 5 GHBDMN CCCCOc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)c(C)c1 ZINC000518081640 852816697 /nfs/dbraw/zinc/81/66/97/852816697.db2.gz UWGXKWSMIPSGIV-UHFFFAOYSA-N 0 1 394.449 3.892 20 5 GHBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1ccc(Cl)c(Cl)c1 ZINC000490366756 852966205 /nfs/dbraw/zinc/96/62/05/852966205.db2.gz MFPHWGPEXKIATK-UHFFFAOYSA-N 0 1 378.175 3.939 20 5 GHBDMN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000438939611 853107459 /nfs/dbraw/zinc/10/74/59/853107459.db2.gz YZRIBYQZGJHOQD-QGZVFWFLSA-N 0 1 387.867 3.903 20 5 GHBDMN O=C(Nc1nc(-c2cccc(C(F)(F)F)c2)n[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000490606502 853131422 /nfs/dbraw/zinc/13/14/22/853131422.db2.gz IKBAHUMPPOBSSG-UHFFFAOYSA-N 0 1 377.282 3.651 20 5 GHBDMN Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C[NH+](C)C)c(Cl)c2)c1[N+](=O)[O-] ZINC000481871602 862453317 /nfs/dbraw/zinc/45/33/17/862453317.db2.gz VCTORSFNGRXNOO-UHFFFAOYSA-N 0 1 397.884 3.727 20 5 GHBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Cl)cc1NC(C)=O ZINC000517298418 853633582 /nfs/dbraw/zinc/63/35/82/853633582.db2.gz KZMXZCODDBLKIL-UHFFFAOYSA-N 0 1 397.840 3.570 20 5 GHBDMN CC[C@@H](c1ccccc1)N1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC001126497509 853734748 /nfs/dbraw/zinc/73/47/48/853734748.db2.gz LQEZYIAGYKVZBT-BGVYSJOJSA-N 0 1 379.460 3.904 20 5 GHBDMN Cc1nc(-c2ccc(CNC(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)cc2)cs1 ZINC000044648383 853745360 /nfs/dbraw/zinc/74/53/60/853745360.db2.gz INVQHCJPCOVBEK-UHFFFAOYSA-N 0 1 393.428 3.833 20 5 GHBDMN C[C@@H](N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(OC(F)F)cc1 ZINC000044802662 853846646 /nfs/dbraw/zinc/84/66/46/853846646.db2.gz DKFMYOTVSXRUIP-NEPJUHHUSA-N 0 1 379.363 3.874 20 5 GHBDMN O=C([O-])Cc1ccc(NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000572042837 854342657 /nfs/dbraw/zinc/34/26/57/854342657.db2.gz DZGHSXLCOCFOCL-LJQANCHMSA-N 0 1 397.475 3.936 20 5 GHBDMN CN1CC[C@@H](NCc2nc3cc([N+](=O)[O-])ccc3o2)[C@H]1c1ccc(Cl)cc1 ZINC000589284697 854783429 /nfs/dbraw/zinc/78/34/29/854783429.db2.gz XBVIEBRBTJSWAJ-DNVCBOLYSA-N 0 1 386.839 3.924 20 5 GHBDMN COc1cccc([C@H]2[C@H](NC(=O)c3cc(C)ccc3[N+](=O)[O-])CCN2C2CC2)c1 ZINC000482021278 862615165 /nfs/dbraw/zinc/61/51/65/862615165.db2.gz SMGKLMFBVZKNGR-CTNGQTDRSA-N 0 1 395.459 3.620 20 5 GHBDMN CCCCN1Cc2cccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c2C1 ZINC000171345725 856097544 /nfs/dbraw/zinc/09/75/44/856097544.db2.gz IIRFWCNPFALQEE-UHFFFAOYSA-N 0 1 375.450 3.511 20 5 GHBDMN O=C(N[C@H]1CC=C(c2ccc(F)cc2)CC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000482197499 862796191 /nfs/dbraw/zinc/79/61/91/862796191.db2.gz FEGAEEOAHZRALH-HNNXBMFYSA-N 0 1 380.379 3.976 20 5 GHBDMN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1nc2ccc(F)cc2[nH]1 ZINC000184834994 856452224 /nfs/dbraw/zinc/45/22/24/856452224.db2.gz VVZYERVOKASRHX-CQSZACIVSA-N 0 1 384.411 3.538 20 5 GHBDMN Cc1ccc(-c2cc(C(=O)Nc3n[nH]c4ccc([N+](=O)[O-])cc43)[nH]n2)c(C)c1 ZINC000427661080 856543911 /nfs/dbraw/zinc/54/39/11/856543911.db2.gz XBCXJYGTJOTGLK-UHFFFAOYSA-N 0 1 376.376 3.730 20 5 GHBDMN Cc1ccc([C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])c2ccc(F)cc2Cl)cc1 ZINC000153864958 856560822 /nfs/dbraw/zinc/56/08/22/856560822.db2.gz YMVZJXTTZDBRMT-MRXNPFEDSA-N 0 1 388.786 3.938 20 5 GHBDMN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3ccc4[nH]nnc4c3)cc2[N+](=O)[O-])C1 ZINC000508001385 856787451 /nfs/dbraw/zinc/78/74/51/856787451.db2.gz QNVMKIZLLJSQFV-BETUJISGSA-N 0 1 394.435 3.601 20 5 GHBDMN C[C@@H](N[C@@H](C)c1cccc(N2CCCS2(=O)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000245455887 856874578 /nfs/dbraw/zinc/87/45/78/856874578.db2.gz IMUBDECYYCZKNB-LSDHHAIUSA-N 0 1 389.477 3.547 20 5 GHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCn2c(cc3cc(Cl)ccc32)C1 ZINC000427969020 856950713 /nfs/dbraw/zinc/95/07/13/856950713.db2.gz XYLLKQUZXBHIEJ-UHFFFAOYSA-N 0 1 395.806 3.735 20 5 GHBDMN O=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000058532795 856993461 /nfs/dbraw/zinc/99/34/61/856993461.db2.gz FEDTUYHVYPXWIA-UHFFFAOYSA-N 0 1 391.830 3.782 20 5 GHBDMN C[C@@H]1CC[C@@H](C(N)=O)CN1Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000159633796 862863584 /nfs/dbraw/zinc/86/35/84/862863584.db2.gz WUSDNTRUYURQBQ-UKRRQHHQSA-N 0 1 387.411 3.612 20 5 GHBDMN CN(C)c1cccc([C@@H]2CCCN2Cc2cc([N+](=O)[O-])cc3c2OCOC3)c1 ZINC000173902517 857179176 /nfs/dbraw/zinc/17/91/76/857179176.db2.gz YZWVIPRSVWJALX-FQEVSTJZSA-N 0 1 383.448 3.864 20 5 GHBDMN C[C@@H](Nc1ccc(-c2nc([C@@H]3CCCN3)no2)cc1[N+](=O)[O-])c1ccccn1 ZINC000592357278 857194905 /nfs/dbraw/zinc/19/49/05/857194905.db2.gz UYHZRQAHRJXQFE-WBMJQRKESA-N 0 1 380.408 3.637 20 5 GHBDMN Cc1ccc(NC(=O)c2ccc(N3C[C@H](C)N(C)C[C@H]3C)c([N+](=O)[O-])c2)cc1 ZINC000508371992 857224889 /nfs/dbraw/zinc/22/48/89/857224889.db2.gz QMDVIQAGTSBVQU-JKSUJKDBSA-N 0 1 382.464 3.684 20 5 GHBDMN CCc1ccc([C@@H](NCC(C)(C)[C@]2(O)CCOC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000592396799 857335220 /nfs/dbraw/zinc/33/52/20/857335220.db2.gz KOMYTYXRYFUTAB-FPOVZHCZSA-N 0 1 388.464 3.607 20 5 GHBDMN COc1ccccc1CN(CCOc1cccc([N+](=O)[O-])c1)C[C@@H]1CCCO1 ZINC000058934244 857778872 /nfs/dbraw/zinc/77/88/72/857778872.db2.gz CKLKZQSMJXPBRN-FQEVSTJZSA-N 0 1 386.448 3.663 20 5 GHBDMN CSc1ccc(C(=O)N2CCCN(Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000009852744 858013754 /nfs/dbraw/zinc/01/37/54/858013754.db2.gz ZDGAVFDXYHCHOY-UHFFFAOYSA-N 0 1 385.489 3.665 20 5 GHBDMN C[C@@H]1CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)CC2(CCCCC2)O1 ZINC000594414071 858181213 /nfs/dbraw/zinc/18/12/13/858181213.db2.gz GOVYFBVVPRXTGU-CQSZACIVSA-N 0 1 384.436 3.549 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H](Cc1nccn1C)c1ccccc1 ZINC000595016906 858352342 /nfs/dbraw/zinc/35/23/42/858352342.db2.gz AVAJUYBAKITJEH-HNAYVOBHSA-N 0 1 380.448 3.972 20 5 GHBDMN O=C([O-])c1ccc(Cl)c(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000574995766 858489211 /nfs/dbraw/zinc/48/92/11/858489211.db2.gz JOGCRUAOKSMLNI-UHFFFAOYSA-N 0 1 390.823 3.990 20 5 GHBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC([C@H]2CCCCO2)CC1 ZINC000595788926 858689052 /nfs/dbraw/zinc/68/90/52/858689052.db2.gz OJLPMULHYYCPKE-KBXCAEBGSA-N 0 1 386.452 3.987 20 5 GHBDMN CN1CC[C@H](CNc2cc[nH]c(=O)c2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000596177277 858815049 /nfs/dbraw/zinc/81/50/49/858815049.db2.gz DGDCOBFENVRFIM-ABAIWWIYSA-N 0 1 380.807 3.593 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(Cc1ccco1)C[C@H]1CCCO1 ZINC000060090378 858847188 /nfs/dbraw/zinc/84/71/88/858847188.db2.gz FETYXIDOOULEJZ-GOSISDBHSA-N 0 1 387.436 3.506 20 5 GHBDMN C[C@@H]1SCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000543202102 858852125 /nfs/dbraw/zinc/85/21/25/858852125.db2.gz ALWDDZFAANBHOJ-VPWXQRGCSA-N 0 1 388.489 3.513 20 5 GHBDMN CC1(c2nnc(-c3cccc(F)c3)o2)CN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000596604558 858962959 /nfs/dbraw/zinc/96/29/59/858962959.db2.gz DLENCGFCLCVDGR-UHFFFAOYSA-N 0 1 382.395 3.600 20 5 GHBDMN CCc1nn(C)c(NC[C@H](c2cccc(Cl)c2)N2CCCC2)c1[N+](=O)[O-] ZINC000301921862 859007015 /nfs/dbraw/zinc/00/70/15/859007015.db2.gz DUKQNISGYGTOIL-MRXNPFEDSA-N 0 1 377.876 3.793 20 5 GHBDMN O=C(NC1CC(F)(c2cccc(Cl)c2)C1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000482986349 859034603 /nfs/dbraw/zinc/03/46/03/859034603.db2.gz CISVHMAYMAQTPN-UHFFFAOYSA-N 0 1 388.786 3.882 20 5 GHBDMN C[C@@H](CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1c[nH]c2ccccc21 ZINC000429414336 859310085 /nfs/dbraw/zinc/31/00/85/859310085.db2.gz BKPJBRPDFUMUBJ-LBPRGKRZSA-N 0 1 390.403 3.994 20 5 GHBDMN CCO[C@H]1C[C@@H](N(C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)C12CCCC2 ZINC000121134110 859361247 /nfs/dbraw/zinc/36/12/47/859361247.db2.gz BNSPPLFPBIGKOO-MSOLQXFVSA-N 0 1 376.453 3.631 20 5 GHBDMN CCOC(=O)[C@]1(C)CCC[C@H]1NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000597237427 859370629 /nfs/dbraw/zinc/37/06/29/859370629.db2.gz BEPHVRBKSAVBGA-VQIMIIECSA-N 0 1 389.477 3.930 20 5 GHBDMN CCN1CCN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C[C@@H]1C ZINC000611095397 859608169 /nfs/dbraw/zinc/60/81/69/859608169.db2.gz ZNPDDVGKZBBUKX-HNNXBMFYSA-N 0 1 384.436 3.945 20 5 GHBDMN Cc1cc(CNC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)n[nH]1 ZINC000611206218 859651315 /nfs/dbraw/zinc/65/13/15/859651315.db2.gz YDPOQJNIZOODLI-UHFFFAOYSA-N 0 1 399.838 3.822 20 5 GHBDMN COC(=O)C(C)(C)[C@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000611322848 859696052 /nfs/dbraw/zinc/69/60/52/859696052.db2.gz NGNWIFIBIWFRMN-INIZCTEOSA-N 0 1 378.469 3.793 20 5 GHBDMN COC(=O)COc1ccc(CN[C@H](C)c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000474354338 859910796 /nfs/dbraw/zinc/91/07/96/859910796.db2.gz REUGHYOXTIYEEP-GFCCVEGCSA-N 0 1 378.812 3.651 20 5 GHBDMN CC[C@H](C)c1nc([C@H](C)NCc2cc(Br)c([N+](=O)[O-])s2)n[nH]1 ZINC000602632377 860184703 /nfs/dbraw/zinc/18/47/03/860184703.db2.gz SRQFDJQMWMZOIG-YUMQZZPRSA-N 0 1 388.291 3.901 20 5 GHBDMN Cc1cc(C(=O)NC2CCN(C/C=C/c3ccccc3[N+](=O)[O-])CC2)c(C)o1 ZINC000093009263 860188721 /nfs/dbraw/zinc/18/87/21/860188721.db2.gz FROBPWOEHPCPFY-FNORWQNLSA-N 0 1 383.448 3.712 20 5 GHBDMN COc1cccc([C@H](CNC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)N(C)C)c1 ZINC000093907108 860372447 /nfs/dbraw/zinc/37/24/47/860372447.db2.gz NDCZTUWDCXOHFK-SFHVURJKSA-N 0 1 385.464 3.561 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc(C=Cc2ccccc2)n[nH]1 ZINC000598952724 860698105 /nfs/dbraw/zinc/69/81/05/860698105.db2.gz DQOGMFAJTSJIEO-YFHOEESVSA-N 0 1 395.444 3.923 20 5 GHBDMN CCCCNC(=O)[C@@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000609194073 881614660 /nfs/dbraw/zinc/61/46/60/881614660.db2.gz HORQETTUNPZNHZ-MRXNPFEDSA-N 0 1 377.485 3.510 20 5 GHBDMN CC[C@@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)N1CCc2ccccc2C1 ZINC000603739658 861133480 /nfs/dbraw/zinc/13/34/80/861133480.db2.gz KDSAXRRKTCACGP-SFHVURJKSA-N 0 1 393.443 3.908 20 5 GHBDMN CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NC[C@@H](c1ccco1)N1CCCC1 ZINC000522901238 863685092 /nfs/dbraw/zinc/68/50/92/863685092.db2.gz DVFLABJSNRQOAP-INIZCTEOSA-N 0 1 391.399 3.753 20 5 GHBDMN C[C@@H](NC(=O)[C@H](C)N(C)CCc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000554846826 865011150 /nfs/dbraw/zinc/01/11/50/865011150.db2.gz JVMNJCAPANWDPN-CABCVRRESA-N 0 1 389.883 3.988 20 5 GHBDMN C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000736597250 865247868 /nfs/dbraw/zinc/24/78/68/865247868.db2.gz WNXAYKWUSVNHAU-RHSMWYFYSA-N 0 1 381.411 3.828 20 5 GHBDMN C[C@@H]1C[C@H](C(F)(F)F)CCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000456130454 866162985 /nfs/dbraw/zinc/16/29/85/866162985.db2.gz PZWUFUNKORULJY-ZYHUDNBSSA-N 0 1 382.342 3.788 20 5 GHBDMN O=[N+]([O-])c1ccccc1/C=C\CN[C@@H](CO)c1ccccc1OC(F)(F)F ZINC000475568603 866333157 /nfs/dbraw/zinc/33/31/57/866333157.db2.gz OEQWDKUXJBVDGE-PKYBCLHXSA-N 0 1 382.338 3.830 20 5 GHBDMN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCN(Cc3ccccc3)C[C@H](C)C2)c1 ZINC000456316398 866418769 /nfs/dbraw/zinc/41/87/69/866418769.db2.gz ACQMQHIDRGQPKW-INIZCTEOSA-N 0 1 399.516 3.911 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1CN1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC000183288829 866558583 /nfs/dbraw/zinc/55/85/83/866558583.db2.gz PPEWCHPULNIUSF-UHFFFAOYSA-N 0 1 386.427 3.828 20 5 GHBDMN O=[N+]([O-])c1ccccc1CS(=O)(=O)Nc1cnccc1Oc1ccccc1 ZINC000183381084 866656667 /nfs/dbraw/zinc/65/66/67/866656667.db2.gz ODLABCYPNDVLQD-UHFFFAOYSA-N 0 1 385.401 3.724 20 5 GHBDMN O=[N+]([O-])c1ccc2[nH]c(CN3CCC[C@H]3c3n[nH]c(-c4ccccc4)n3)nc2c1 ZINC000444663884 867035007 /nfs/dbraw/zinc/03/50/07/867035007.db2.gz PTFHOQTZKYRRHJ-KRWDZBQOSA-N 0 1 389.419 3.593 20 5 GHBDMN O=[N+]([O-])c1ccc2[nH]c(CN3CCC[C@H]3c3nc(-c4ccccc4)n[nH]3)nc2c1 ZINC000444663884 867035024 /nfs/dbraw/zinc/03/50/24/867035024.db2.gz PTFHOQTZKYRRHJ-KRWDZBQOSA-N 0 1 389.419 3.593 20 5 GHBDMN COc1ccc(C[C@H]2CCCN(Cn3ncc4ccc([N+](=O)[O-])cc43)C2)cc1 ZINC000742155206 867110047 /nfs/dbraw/zinc/11/00/47/867110047.db2.gz HMDSSCWHIPVREF-QGZVFWFLSA-N 0 1 380.448 3.865 20 5 GHBDMN CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000553395687 867316138 /nfs/dbraw/zinc/31/61/38/867316138.db2.gz NBCAPPRZDJLLTJ-ZOCIIQOWSA-N 0 1 394.431 3.552 20 5 GHBDMN CCO[C@H]1C[C@@H](NCc2nc(-c3cccc([N+](=O)[O-])c3)no2)C12CCCCC2 ZINC000429776509 867323101 /nfs/dbraw/zinc/32/31/01/867323101.db2.gz STZNUUSMNSUAKL-SJORKVTESA-N 0 1 386.452 3.862 20 5 GHBDMN CN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C1CCN(CCC(F)(F)F)CC1 ZINC000457083280 867630218 /nfs/dbraw/zinc/63/02/18/867630218.db2.gz JQWDRGPXOWDAMS-UHFFFAOYSA-N 0 1 393.793 3.737 20 5 GHBDMN O=C(Nc1cc(Cl)c(O)cc1F)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000553683093 867931600 /nfs/dbraw/zinc/93/16/00/867931600.db2.gz TWAKANRWTRCBAK-UHFFFAOYSA-N 0 1 376.731 3.531 20 5 GHBDMN CCc1ccc(C(=O)Nc2cccc(NC(=O)CN(CC)CC)c2)cc1[N+](=O)[O-] ZINC000554083949 868723642 /nfs/dbraw/zinc/72/36/42/868723642.db2.gz LNOFHTSLDJFIEM-UHFFFAOYSA-N 0 1 398.463 3.690 20 5 GHBDMN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(CCCCCCCO)CC1 ZINC000744383279 868800073 /nfs/dbraw/zinc/80/00/73/868800073.db2.gz MBUPJFFMVCNWHB-UHFFFAOYSA-N 0 1 389.418 3.678 20 5 GHBDMN O=C(CCc1cccc([N+](=O)[O-])c1)Nc1nc2ccc(Br)cc2[nH]1 ZINC000446027878 869282866 /nfs/dbraw/zinc/28/28/66/869282866.db2.gz HAPJKGCJDOTFAJ-UHFFFAOYSA-N 0 1 389.209 3.805 20 5 GHBDMN CC(C)(C)OC(=O)N1CC[C@]2(CCN(C/C=C/c3ccccc3[N+](=O)[O-])C2)C1 ZINC000793604203 882305937 /nfs/dbraw/zinc/30/59/37/882305937.db2.gz ITUMFKSLTIAVRG-PVHVJQTOSA-N 0 1 387.480 3.941 20 5 GHBDMN Cc1c([C@H](C)N[C@H]2CC(=O)N(c3c(F)cccc3F)C2)cccc1[N+](=O)[O-] ZINC000539969085 870130165 /nfs/dbraw/zinc/13/01/65/870130165.db2.gz LSINSTPUJCBHQR-STQMWFEESA-N 0 1 375.375 3.638 20 5 GHBDMN CC(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)cc1Cl ZINC000181197414 870256333 /nfs/dbraw/zinc/25/63/33/870256333.db2.gz ULBDRXSZLWLUFQ-UHFFFAOYSA-N 0 1 382.825 3.868 20 5 GHBDMN C[C@H](CC(=O)Nc1cccc(Cl)c1)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446835322 870519102 /nfs/dbraw/zinc/51/91/02/870519102.db2.gz NOWAZCVMCOGDKA-LLVKDONJSA-N 0 1 387.827 3.631 20 5 GHBDMN Cc1c(C(=O)N2CCC[C@H](c3nnc(-c4ccccc4)[nH]3)C2)cccc1[N+](=O)[O-] ZINC000181334979 870845795 /nfs/dbraw/zinc/84/57/95/870845795.db2.gz JHUJPSBSMLIYSU-INIZCTEOSA-N 0 1 391.431 3.708 20 5 GHBDMN C[C@@H]1CCCC[N@H+]1Cc1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000540330454 871038334 /nfs/dbraw/zinc/03/83/34/871038334.db2.gz ILHKQYVJYPXBQW-OAHLLOKOSA-N 0 1 389.477 3.770 20 5 GHBDMN C[C@H](c1ccccc1)[C@@H](CO)NCc1c(Br)cccc1[N+](=O)[O-] ZINC001168993887 871075205 /nfs/dbraw/zinc/07/52/05/871075205.db2.gz KINNQGYDGVMOTC-MLGOLLRUSA-N 0 1 379.254 3.612 20 5 GHBDMN Cc1cc(NC(=O)CN[C@H](C)c2cccc([N+](=O)[O-])c2)ccc1Br ZINC000539277249 871604454 /nfs/dbraw/zinc/60/44/54/871604454.db2.gz RWXZAJRKCFRFHV-GFCCVEGCSA-N 0 1 392.253 3.955 20 5 GHBDMN COc1ccccc1[C@@H](CNc1ccc([N+](=O)[O-])c(OC(F)F)c1)N(C)C ZINC000462115303 871638937 /nfs/dbraw/zinc/63/89/37/871638937.db2.gz FPXROMNHEPDYHI-OAHLLOKOSA-N 0 1 381.379 3.920 20 5 GHBDMN O=C(Nc1cnn(-c2ccccc2)c1C(F)(F)F)c1cc(O)cc([N+](=O)[O-])c1 ZINC000447541408 871810205 /nfs/dbraw/zinc/81/02/05/871810205.db2.gz MACYBTDDDLPSSS-UHFFFAOYSA-N 0 1 392.293 3.757 20 5 GHBDMN CN(C)[C@@H]1CCOc2c(NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)cccc21 ZINC000447722834 872210577 /nfs/dbraw/zinc/21/05/77/872210577.db2.gz LNVZYRVECKYUAC-MRXNPFEDSA-N 0 1 381.388 3.979 20 5 GHBDMN Cc1ccc(-c2cc(=NC(=O)c3cccc4c(=O)c5ccccc5[nH]c34)[nH][nH]2)o1 ZINC000447802272 872289653 /nfs/dbraw/zinc/28/96/53/872289653.db2.gz JATUEOASXLBEAD-UHFFFAOYSA-N 0 1 384.395 3.647 20 5 GHBDMN Cc1ccc([C@@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)c2ccccn2)cc1 ZINC000526940692 872341101 /nfs/dbraw/zinc/34/11/01/872341101.db2.gz KHPBLCUBFCVNTP-LJQANCHMSA-N 0 1 387.399 3.694 20 5 GHBDMN CC(C)(C)OC(=O)N[C@@H]1C[C@H](NCc2c(F)cc([N+](=O)[O-])cc2F)C1(C)C ZINC001195670158 872539489 /nfs/dbraw/zinc/53/94/89/872539489.db2.gz OILWBMCKIYBAFN-LSDHHAIUSA-N 0 1 385.411 3.654 20 5 GHBDMN C[C@H](c1ccc(C(F)(F)F)cc1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000609120970 872653713 /nfs/dbraw/zinc/65/37/13/872653713.db2.gz QNSYCDFVGWEMHO-CYBMUJFWSA-N 0 1 380.370 3.892 20 5 GHBDMN C[C@H](C(=O)Nc1nc(-c2ccccc2Cl)n[nH]1)c1ccc([N+](=O)[O-])cc1F ZINC000182704800 872705679 /nfs/dbraw/zinc/70/56/79/872705679.db2.gz WTJVEWCSHANIFD-VIFPVBQESA-N 0 1 389.774 3.915 20 5 GHBDMN Cc1c(CC(=O)N2C[C@@H](C)N(Cc3ccccc3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC001127247495 872918062 /nfs/dbraw/zinc/91/80/62/872918062.db2.gz XLNCUKZDHLJVDG-SJORKVTESA-N 0 1 381.476 3.567 20 5 GHBDMN CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CCCN2Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC001197169052 873636528 /nfs/dbraw/zinc/63/65/28/873636528.db2.gz VAUFRBYUMUWGGA-WMLDXEAASA-N 0 1 393.459 3.955 20 5 GHBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC[C@@H](c3cc(C(C)C)n[nH]3)C2)c1 ZINC001197544345 873888243 /nfs/dbraw/zinc/88/82/43/873888243.db2.gz VYYAXMGRZZSHOX-OAHLLOKOSA-N 0 1 386.452 3.608 20 5 GHBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC[C@@H](c3cc(C(C)C)[nH]n3)C2)c1 ZINC001197544345 873888257 /nfs/dbraw/zinc/88/82/57/873888257.db2.gz VYYAXMGRZZSHOX-OAHLLOKOSA-N 0 1 386.452 3.608 20 5 GHBDMN C[C@H]1CN(Cc2cccc(Nc3ncnc4cccc([N+](=O)[O-])c43)c2)C[C@H](C)O1 ZINC000541577780 873899838 /nfs/dbraw/zinc/89/98/38/873899838.db2.gz YSJSNNCYBFWJAY-GJZGRUSLSA-N 0 1 393.447 3.891 20 5 GHBDMN C[C@@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])CC[C@@H]1NC(=O)OC(C)(C)C ZINC000769421421 874037805 /nfs/dbraw/zinc/03/78/05/874037805.db2.gz BSBKJWIVXCJFGI-FUZMGVLZSA-N 0 1 375.469 3.843 20 5 GHBDMN CC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000804406518 882792117 /nfs/dbraw/zinc/79/21/17/882792117.db2.gz ZXNAIOBDIWJPAO-UHFFFAOYSA-N 0 1 381.476 3.942 20 5 GHBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1cc2cc(Cl)ccc2[nH]1 ZINC000609135796 874216061 /nfs/dbraw/zinc/21/60/61/874216061.db2.gz PZTIFIFWLMBABY-UHFFFAOYSA-N 0 1 382.767 3.767 20 5 GHBDMN CC(C)(C)OC(=O)NCC[C@@H]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001198319125 874350934 /nfs/dbraw/zinc/35/09/34/874350934.db2.gz QJUGJVSCNCTCIL-CYBMUJFWSA-N 0 1 383.876 3.985 20 5 GHBDMN O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCC[C@H]1C[C@H](O)c1cccs1)OCCO2 ZINC000770292023 874580244 /nfs/dbraw/zinc/58/02/44/874580244.db2.gz HYNXXQRYPARWMC-HOCLYGCPSA-N 0 1 390.461 3.516 20 5 GHBDMN O=[N+]([O-])c1cc2c(cc1CN1CCC[C@H]1C[C@H](O)c1cccs1)OCCO2 ZINC000770292023 874580254 /nfs/dbraw/zinc/58/02/54/874580254.db2.gz HYNXXQRYPARWMC-HOCLYGCPSA-N 0 1 390.461 3.516 20 5 GHBDMN CCCN1Cc2cccc(NS(=O)(=O)c3cc([N+](=O)[O-])cc(C)c3C)c2C1 ZINC000541932903 874582673 /nfs/dbraw/zinc/58/26/73/874582673.db2.gz FVHLQTGINIOWEW-UHFFFAOYSA-N 0 1 389.477 3.738 20 5 GHBDMN CN(C)C(=O)N[C@@H]1CCCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000449747672 875343015 /nfs/dbraw/zinc/34/30/15/875343015.db2.gz XUIYVRRYJOCJKM-CQSZACIVSA-N 0 1 388.493 3.559 20 5 GHBDMN CN1CC[C@H](CNc2cc[nH]c(=O)c2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000596177285 875663193 /nfs/dbraw/zinc/66/31/93/875663193.db2.gz DGDCOBFENVRFIM-IAQYHMDHSA-N 0 1 380.807 3.593 20 5 GHBDMN O=[N+]([O-])c1cccc(NS(=O)(=O)c2cccc(Cl)c2Br)c1 ZINC000491604065 875837299 /nfs/dbraw/zinc/83/72/99/875837299.db2.gz IUSNETLTVUFASY-UHFFFAOYSA-N 0 1 391.630 3.812 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CCSc1nc2ccc(C)cc2[nH]1 ZINC000026359002 875989648 /nfs/dbraw/zinc/98/96/48/875989648.db2.gz RCEPLKJNXQAZQE-UHFFFAOYSA-N 0 1 386.433 3.909 20 5 GHBDMN C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000450425363 876390544 /nfs/dbraw/zinc/39/05/44/876390544.db2.gz NHIYJZQZMNFTKP-CYBMUJFWSA-N 0 1 395.381 3.864 20 5 GHBDMN O=[N+]([O-])c1ccc(OC(F)F)c(CN[C@H]2CCN(c3ccccc3F)C2)c1 ZINC000492210226 876443298 /nfs/dbraw/zinc/44/32/98/876443298.db2.gz NDRSBCDIPGWBLG-ZDUSSCGKSA-N 0 1 381.354 3.704 20 5 GHBDMN CCc1[nH]n(Cc2ccccc2C)c(=O)c1CCNc1nc(C)ccc1[N+](=O)[O-] ZINC000450714789 876807969 /nfs/dbraw/zinc/80/79/69/876807969.db2.gz ICWOZSRPHKMUMH-KRWDZBQOSA-N 0 1 395.463 3.833 20 5 GHBDMN C[C@@H]1c2ccc(F)cc2CCN1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000610003849 877277547 /nfs/dbraw/zinc/27/75/47/877277547.db2.gz KOYLPJIFHJCKED-CYBMUJFWSA-N 0 1 385.395 3.651 20 5 GHBDMN COc1ccc([C@@H](NC(=O)CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000451102822 877399839 /nfs/dbraw/zinc/39/98/39/877399839.db2.gz DYOCOIUMNGSAEZ-QKKBWIMNSA-N 0 1 383.448 3.522 20 5 GHBDMN CC(C)(C[C@@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1)C(N)=O ZINC000451216528 877594644 /nfs/dbraw/zinc/59/46/44/877594644.db2.gz MDXJPJXARFXURF-LBPRGKRZSA-N 0 1 387.402 3.727 20 5 GHBDMN COc1ccc(C(=O)N[C@@H]2CCc3nc(C4CCCCC4)[nH]c3C2)cc1[N+](=O)[O-] ZINC000788242869 877942782 /nfs/dbraw/zinc/94/27/82/877942782.db2.gz JMYZSVCWGZXYDS-OAHLLOKOSA-N 0 1 398.463 3.662 20 5 GHBDMN Cc1ccc(C(=O)N[C@@H]2CCc3nc(C4CCCCC4)[nH]c3C2)cc1[N+](=O)[O-] ZINC000788248781 877951342 /nfs/dbraw/zinc/95/13/42/877951342.db2.gz XIFSOVUTMAERLP-MRXNPFEDSA-N 0 1 382.464 3.961 20 5 GHBDMN C[C@H](c1nc(-c2cccnc2)no1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451546761 878119477 /nfs/dbraw/zinc/11/94/77/878119477.db2.gz JSQLKFYMDPUGHH-RHSMWYFYSA-N 0 1 379.420 3.980 20 5 GHBDMN CN(C)[C@@H](CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21)c1ccc(Cl)cc1 ZINC000530590785 878133894 /nfs/dbraw/zinc/13/38/94/878133894.db2.gz ZOZHSTTYBNGNND-SFHVURJKSA-N 0 1 386.839 3.762 20 5 GHBDMN O=C(OCc1nc2ccc(Br)cc2[nH]1)c1ccc([N+](=O)[O-])s1 ZINC000788993909 878504540 /nfs/dbraw/zinc/50/45/40/878504540.db2.gz KXWNPTMQFCVAFO-UHFFFAOYSA-N 0 1 382.195 3.652 20 5 GHBDMN Cc1c([C@H](C)N[C@@H]2CCN(CCCc3ccccc3)C2=O)cccc1[N+](=O)[O-] ZINC000538020461 878726353 /nfs/dbraw/zinc/72/63/53/878726353.db2.gz FLXOIWXFNORFKI-FXAWDEMLSA-N 0 1 381.476 3.788 20 5 GHBDMN CN(C)[C@@H](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21)c1ccc(Cl)cc1 ZINC000531067448 879061172 /nfs/dbraw/zinc/06/11/72/879061172.db2.gz BFJPHWRNQFQMLJ-SFHVURJKSA-N 0 1 386.839 3.762 20 5 GHBDMN CN1C(=O)C[C@@H](NCc2ccc([N+](=O)[O-])c(Cl)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000761525936 879247568 /nfs/dbraw/zinc/24/75/68/879247568.db2.gz FORLXPHVBLHUDJ-QAPCUYQASA-N 0 1 394.258 3.963 20 5 GHBDMN CC(C)(C)c1ccc(-c2n[nH]c(NC(=O)COc3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000520132308 879793401 /nfs/dbraw/zinc/79/34/01/879793401.db2.gz CJRHUNCQEFLTJV-UHFFFAOYSA-N 0 1 395.419 3.695 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCc3nc(C4CCCCC4)[nH]c3C2)c1 ZINC000791273115 880299599 /nfs/dbraw/zinc/29/95/99/880299599.db2.gz NHFCPRDHHCMASO-AWEZNQCLSA-N 0 1 398.463 3.662 20 5 GHBDMN O=C(Nc1ccc(OC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1)c1ccsc1 ZINC000791351303 880365109 /nfs/dbraw/zinc/36/51/09/880365109.db2.gz DYICQRJUOBYBOV-UHFFFAOYSA-N 0 1 384.369 3.833 20 5 GHBDMN C[C@H]1C[C@@H](Nc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000520234076 880409550 /nfs/dbraw/zinc/40/95/50/880409550.db2.gz OCAZMVDEGRJYAP-YJBOKZPZSA-N 0 1 383.448 3.687 20 5 GHBDMN COc1ccc([C@H](O)CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000113318531 880503210 /nfs/dbraw/zinc/50/32/10/880503210.db2.gz SRXGJUYFYLXUDJ-GOSISDBHSA-N 0 1 385.445 3.550 20 5 GHBDMN CCCc1[nH]nc(C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)c1[N+](=O)[O-] ZINC000609456863 883247837 /nfs/dbraw/zinc/24/78/37/883247837.db2.gz NOTHDXOPFJPZIJ-GFCCVEGCSA-N 0 1 399.476 3.900 20 5 GHBDMN COc1ccc(C(C)(C)NCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])cc1F ZINC000859642398 883964702 /nfs/dbraw/zinc/96/47/02/883964702.db2.gz JNMCOOPPYVPZDE-UHFFFAOYSA-N 0 1 395.818 3.859 20 5 GHBDMN O=C(c1ccc(CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1)N1CCCC1 ZINC000153263949 884356117 /nfs/dbraw/zinc/35/61/17/884356117.db2.gz SHQOLQXLNKHTIG-UHFFFAOYSA-N 0 1 379.460 3.995 20 5 GHBDMN O=C(c1ccc(CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1)N1CCCC1 ZINC000130683011 884621311 /nfs/dbraw/zinc/62/13/11/884621311.db2.gz ZFOYXONQQIGXMM-UHFFFAOYSA-N 0 1 379.460 3.995 20 5 GHBDMN CC[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)c1nc(C)cs1 ZINC000795826334 912879463 /nfs/dbraw/zinc/87/94/63/912879463.db2.gz ZJKAPXFBQBOSTP-JTQLQIEISA-N 0 1 393.849 3.582 20 5 GHBDMN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000191412597 884939979 /nfs/dbraw/zinc/93/99/79/884939979.db2.gz BUKNBDNVUZEQLH-MRXNPFEDSA-N 0 1 397.479 3.954 20 5 GHBDMN CSc1cc(C)ccc1CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000465478304 885058642 /nfs/dbraw/zinc/05/86/42/885058642.db2.gz XIQYXCCFWRMZRI-UHFFFAOYSA-N 0 1 386.882 3.757 20 5 GHBDMN O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000272236430 885420380 /nfs/dbraw/zinc/42/03/80/885420380.db2.gz MTMRMSBDQRACJH-MRXNPFEDSA-N 0 1 383.452 3.780 20 5 GHBDMN Cc1ccc(NC(=O)c2ccc(N3CC[N@H+](C)CC[C@H]3C)c([N+](=O)[O-])c2)cc1 ZINC000498936444 886138904 /nfs/dbraw/zinc/13/89/04/886138904.db2.gz HIZBHJYPEYRQFX-MRXNPFEDSA-N 0 1 382.464 3.686 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@H](c2ccccc2C)C[C@H]1C ZINC000532587332 886188596 /nfs/dbraw/zinc/18/85/96/886188596.db2.gz YEZXZPMJDMUPIV-HZPDHXFCSA-N 0 1 383.448 3.728 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@H](c2ccccc2C)C[C@H]1C ZINC000532587332 886188605 /nfs/dbraw/zinc/18/86/05/886188605.db2.gz YEZXZPMJDMUPIV-HZPDHXFCSA-N 0 1 383.448 3.728 20 5 GHBDMN COC[C@H]1CCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000556908963 886643117 /nfs/dbraw/zinc/64/31/17/886643117.db2.gz OBXHAYKQSYDHBY-GFCCVEGCSA-N 0 1 381.226 3.838 20 5 GHBDMN COc1ccc(C[C@@H](C)CN(C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000153338336 887731620 /nfs/dbraw/zinc/73/16/20/887731620.db2.gz AKIYYSIXMISIFY-OAHLLOKOSA-N 0 1 396.447 3.964 20 5 GHBDMN COc1cc(CN[C@@H](C)c2ccc(N3CCCCC3=O)cc2)ccc1[N+](=O)[O-] ZINC000810126110 888188363 /nfs/dbraw/zinc/18/83/63/888188363.db2.gz CPOUUVNCNWXKJD-HNNXBMFYSA-N 0 1 383.448 3.971 20 5 GHBDMN COc1ccc(CN2CCCN(c3cccc([N+](=O)[O-])c3C(C)=O)CC2)cc1 ZINC000763207146 888290017 /nfs/dbraw/zinc/29/00/17/888290017.db2.gz SDDGZPMHRJHSBJ-UHFFFAOYSA-N 0 1 383.448 3.518 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C(=O)Nc2nnc(-c3c(F)cccc3F)s2)c1 ZINC001132220743 888445267 /nfs/dbraw/zinc/44/52/67/888445267.db2.gz RICJMMVVZXMUHQ-UHFFFAOYSA-N 0 1 392.343 3.652 20 5 GHBDMN CCN1CCN(c2cc(N(C)C(=O)C[C@H]3CC[C@H](C)C3)cc([N+](=O)[O-])c2)CC1 ZINC001132279992 888531814 /nfs/dbraw/zinc/53/18/14/888531814.db2.gz YIXHWGSBUCNONS-IRXDYDNUSA-N 0 1 388.512 3.526 20 5 GHBDMN CCN1CC[C@@H]1CNC(=O)c1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC001133015048 889979186 /nfs/dbraw/zinc/97/91/86/889979186.db2.gz UQVBLAQDZRGUPT-MRXNPFEDSA-N 0 1 385.489 3.878 20 5 GHBDMN COc1ccc(NC(=O)[C@@H](C)N[C@H](c2ncccc2C)C(C)C)c([N+](=O)[O-])c1 ZINC000533381686 890390321 /nfs/dbraw/zinc/39/03/21/890390321.db2.gz WLYMKTHTXKZQBN-KDOFPFPSSA-N 0 1 386.452 3.621 20 5 GHBDMN CN(C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)C1CCN(CCC(F)(F)F)CC1 ZINC000455341783 890773703 /nfs/dbraw/zinc/77/37/03/890773703.db2.gz XLUKVCHMRLOIEK-UHFFFAOYSA-N 0 1 392.353 3.614 20 5 GHBDMN CCOc1cc(NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)c([N+](=O)[O-])cc1OCC ZINC000812843211 891032543 /nfs/dbraw/zinc/03/25/43/891032543.db2.gz OMVJQETYCJBRFD-LJQANCHMSA-N 0 1 397.447 3.543 20 5 GHBDMN CN1C[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[C@H](c2ccccc2)C1 ZINC000497414251 891531543 /nfs/dbraw/zinc/53/15/43/891531543.db2.gz DBTJEONQURLOFN-IRXDYDNUSA-N 0 1 381.457 3.637 20 5 GHBDMN C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC000476002131 892012565 /nfs/dbraw/zinc/01/25/65/892012565.db2.gz VIPDTVIOUPGCDS-HNNXBMFYSA-N 0 1 383.448 3.605 20 5 GHBDMN C[C@@H](N[C@H](C)c1ccc2c(c1)OCO2)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000192465116 892501854 /nfs/dbraw/zinc/50/18/54/892501854.db2.gz JIBLBNBKWZFSFI-GHMZBOCLSA-N 0 1 391.811 3.655 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(Oc2cncc(Cl)n2)CC1 ZINC000778181921 893127220 /nfs/dbraw/zinc/12/72/20/893127220.db2.gz QORXFEDGFWQOES-CYBMUJFWSA-N 0 1 376.844 3.951 20 5 GHBDMN Cc1ccc(C)c(NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)c1 ZINC000918143075 893219916 /nfs/dbraw/zinc/21/99/16/893219916.db2.gz NZXPDBVAUOFDCK-UHFFFAOYSA-N 0 1 385.239 3.775 20 5 GHBDMN CCC[C@H](NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])c1ccccn1 ZINC000815010336 893335903 /nfs/dbraw/zinc/33/59/03/893335903.db2.gz TYMVPYMLVKWRMX-ZDUSSCGKSA-N 0 1 387.820 3.602 20 5 GHBDMN O=C(NC[C@H](c1cccs1)N1CCCC1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778221428 893380605 /nfs/dbraw/zinc/38/06/05/893380605.db2.gz MKDKUWPYIYJGLX-OAHLLOKOSA-N 0 1 395.431 3.701 20 5 GHBDMN C[C@@H]1C[C@H]1c1ccc(CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C2CC2)o1 ZINC000563475148 893780092 /nfs/dbraw/zinc/78/00/92/893780092.db2.gz HFCCOKHVGMXLEH-UWWQBHOKSA-N 0 1 386.448 3.716 20 5 GHBDMN CCc1ccc([C@H](NC2CCC(NC(C)=O)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000563524343 893863675 /nfs/dbraw/zinc/86/36/75/893863675.db2.gz BHXRBYRQOPZUGZ-MYKUNDNFSA-N 0 1 385.464 3.877 20 5 GHBDMN C[C@@H](NCc1cccc(NC(=O)c2ccncc2)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815562441 894000429 /nfs/dbraw/zinc/00/04/29/894000429.db2.gz FMTRYZCJVARFGK-CQSZACIVSA-N 0 1 391.431 3.675 20 5 GHBDMN Cc1ccc(CN[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c(OC[C@H]2CCCO2)c1 ZINC000815588825 894029353 /nfs/dbraw/zinc/02/93/53/894029353.db2.gz ZZXXQGDYGZNZLK-MAUKXSAKSA-N 0 1 385.464 3.894 20 5 GHBDMN CCOc1ccc([C@@H](C)NCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1OC ZINC000537065840 894285056 /nfs/dbraw/zinc/28/50/56/894285056.db2.gz DJJIAYHCUPXISS-CQSZACIVSA-N 0 1 387.436 3.600 20 5 GHBDMN Cc1cc(NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)cnc1C(F)(F)F ZINC001168278137 894604494 /nfs/dbraw/zinc/60/44/94/894604494.db2.gz CPKCMSSRNGOYDB-UHFFFAOYSA-N 0 1 391.309 3.959 20 5 GHBDMN O=C(c1ccc(CN[C@H]2CCc3c2cccc3[N+](=O)[O-])cc1)N1CCCCC1 ZINC000564225667 894741468 /nfs/dbraw/zinc/74/14/68/894741468.db2.gz KWXLAHPDKNTYHB-FQEVSTJZSA-N 0 1 379.460 3.998 20 5 GHBDMN O=C(Nc1ccc2oc(CN3CCCC3)nc2c1)c1ccc([N+](=O)[O-])cc1F ZINC000816766788 895042980 /nfs/dbraw/zinc/04/29/80/895042980.db2.gz GTJIQUXCDWVNMV-UHFFFAOYSA-N 0 1 384.367 3.723 20 5 GHBDMN O=C(Nc1ccc(-c2noc(C(F)F)n2)cc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000476094514 895160259 /nfs/dbraw/zinc/16/02/59/895160259.db2.gz YMFITCYBASIRKS-UHFFFAOYSA-N 0 1 376.275 3.540 20 5 GHBDMN O=[N+]([O-])c1ccc(OCCN[C@H](c2nc(Br)cs2)C2CC2)cc1 ZINC000817578074 895748441 /nfs/dbraw/zinc/74/84/41/895748441.db2.gz GMIWFEWGSXZPAP-AWEZNQCLSA-N 0 1 398.282 3.934 20 5 GHBDMN CC(C)(C)CCN1CCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC001136348292 897371802 /nfs/dbraw/zinc/37/18/02/897371802.db2.gz DUQHRSMWCZVPOK-UHFFFAOYSA-N 0 1 398.301 3.551 20 5 GHBDMN O=[N+]([O-])c1cc(Br)ccc1CNCc1cccc2c1CCOC2 ZINC000883288033 897449322 /nfs/dbraw/zinc/44/93/22/897449322.db2.gz OVQWJXHJOJFPFA-UHFFFAOYSA-N 0 1 377.238 3.720 20 5 GHBDMN O=C(N[C@@H]1CCC[C@@H](c2nc3ccccc3[nH]2)C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000569461193 898683977 /nfs/dbraw/zinc/68/39/77/898683977.db2.gz VOAWSXHXINVHDV-TZMCWYRMSA-N 0 1 380.404 3.633 20 5 GHBDMN Cc1[nH]nc(C(=O)N2C[C@H](C)C[C@@H]2c2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-] ZINC000331537505 898965390 /nfs/dbraw/zinc/96/53/90/898965390.db2.gz HMKZAGSHZGXAQH-NOZJJQNGSA-N 0 1 382.342 3.868 20 5 GHBDMN Nc1c(Cl)cc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1Cl ZINC000133881510 899196429 /nfs/dbraw/zinc/19/64/29/899196429.db2.gz REDMQVIGSKJFCY-UHFFFAOYSA-N 0 1 393.190 3.521 20 5 GHBDMN CC(C)c1nc([C@@H]2CCCCN2C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)n[nH]1 ZINC000332057637 899373461 /nfs/dbraw/zinc/37/34/61/899373461.db2.gz OPSCRKFSIHBIDQ-WBMJQRKESA-N 0 1 389.431 3.833 20 5 GHBDMN CC(C)c1nc([C@H]2CCCCN2C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)n[nH]1 ZINC000332057626 899374251 /nfs/dbraw/zinc/37/42/51/899374251.db2.gz OPSCRKFSIHBIDQ-BLLLJJGKSA-N 0 1 389.431 3.833 20 5 GHBDMN Cc1cc(CNc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])cc(N2CCCC2)[nH+]1 ZINC000844215142 900609699 /nfs/dbraw/zinc/60/96/99/900609699.db2.gz YYNWYEPNDINNHW-ALCCZGGFSA-N 0 1 382.420 3.608 20 5 GHBDMN CC(C)(C)OC(=O)NCCC1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000844443982 900867807 /nfs/dbraw/zinc/86/78/07/900867807.db2.gz SFWYSPPOGFJARZ-UHFFFAOYSA-N 0 1 381.448 3.861 20 5 GHBDMN Cn1ccnc1[C@H](NC[C@@]1(C)CCOC2(CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000886776323 901267484 /nfs/dbraw/zinc/26/74/84/901267484.db2.gz CLIZAHJLXJTNJA-QUCCMNQESA-N 0 1 384.480 3.747 20 5 GHBDMN C[C@@](CO)(NCc1ccc(OCC(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000601149328 903394403 /nfs/dbraw/zinc/39/44/03/903394403.db2.gz LFRXUUOFQGHPNN-KRWDZBQOSA-N 0 1 384.354 3.533 20 5 GHBDMN C[C@H](CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)N1CCCC[C@H]1C ZINC000578951300 904248949 /nfs/dbraw/zinc/24/89/49/904248949.db2.gz NQLFXINWEATTAB-HZPDHXFCSA-N 0 1 377.488 3.674 20 5 GHBDMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000773122667 904449776 /nfs/dbraw/zinc/44/97/76/904449776.db2.gz CLOAHNJIXSAISX-UHFFFAOYSA-N 0 1 399.495 3.878 20 5 GHBDMN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CSc1n[nH]c(=S)s1 ZINC000175959650 905712776 /nfs/dbraw/zinc/71/27/76/905712776.db2.gz GJHKBSIPMXIDFH-UHFFFAOYSA-N 0 1 390.899 3.513 20 5 GHBDMN Cc1ccc([C@@H](C)N[C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1[N+](=O)[O-] ZINC000177603904 906177384 /nfs/dbraw/zinc/17/73/84/906177384.db2.gz OSAXPHBORPPVBX-LSDHHAIUSA-N 0 1 391.493 3.565 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CC[C@@](CF)(C(F)(F)F)C2)c1F ZINC001173182412 906263654 /nfs/dbraw/zinc/26/36/54/906263654.db2.gz RPNUEGQSROGZOT-BONVTDFDSA-N 0 1 382.329 3.897 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CC[C@@H](OCc3ccccc3)C2)c1F ZINC001173190316 906271434 /nfs/dbraw/zinc/27/14/34/906271434.db2.gz SRWPCUIIPIYHJM-DOTOQJQBSA-N 0 1 388.439 3.965 20 5 GHBDMN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC001173223144 906303156 /nfs/dbraw/zinc/30/31/56/906303156.db2.gz YPNAKSUJCNNTGA-OAHLLOKOSA-N 0 1 380.448 3.918 20 5 GHBDMN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCN(c2nc3ccccc3s2)CC1 ZINC001173224975 906307500 /nfs/dbraw/zinc/30/75/00/906307500.db2.gz AFBVBGUMZAJJFB-OAHLLOKOSA-N 0 1 382.489 3.958 20 5 GHBDMN CCOC(=O)c1ccc(N2CCN([C@@H](C)Cc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC001173231812 906317853 /nfs/dbraw/zinc/31/78/53/906317853.db2.gz NKECPMWFNLWLJT-KRWDZBQOSA-N 0 1 397.475 3.525 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000178729016 906377445 /nfs/dbraw/zinc/37/74/45/906377445.db2.gz XVSKELPKEOKGCZ-HNNXBMFYSA-N 0 1 396.447 3.767 20 5 GHBDMN CC[C@@](C)(NCCC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1nc(C)cs1 ZINC000181767183 907074163 /nfs/dbraw/zinc/07/41/63/907074163.db2.gz YFCLRYYIONKMGG-QGZVFWFLSA-N 0 1 380.445 3.742 20 5 GHBDMN CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2C[C@@H]3CCC[C@]3(CO)C2)cc1OC ZINC001175293066 907464836 /nfs/dbraw/zinc/46/48/36/907464836.db2.gz WWGMUFPVWWRFEN-LDBYXDLTSA-N 0 1 392.496 3.623 20 5 GHBDMN O=C([O-])CC[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C[C@@H]1CCCO1 ZINC000901681002 921466343 /nfs/dbraw/zinc/46/63/43/921466343.db2.gz JREDBQRASZHBGS-AWEZNQCLSA-N 0 1 390.461 3.779 20 5 GHBDMN Cc1ccc(CN[C@@H]2CCN(c3ccc(Cl)cc3F)C2=O)cc1[N+](=O)[O-] ZINC001179333016 909493891 /nfs/dbraw/zinc/49/38/91/909493891.db2.gz NOIIVVXNNHBVDN-OAHLLOKOSA-N 0 1 377.803 3.591 20 5 GHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000269167268 910168184 /nfs/dbraw/zinc/16/81/84/910168184.db2.gz GDKKYSBTIHOODG-GOSISDBHSA-N 0 1 390.823 3.540 20 5 GHBDMN COc1cc(CN[C@H](C)c2cn[nH]c2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000270200451 910477916 /nfs/dbraw/zinc/47/79/16/910477916.db2.gz MCOGCBWTILMQGM-CQSZACIVSA-N 0 1 382.420 3.756 20 5 GHBDMN O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2NCc2cc([N+](=O)[O-])ccc2Cl)n1 ZINC000774259284 911579503 /nfs/dbraw/zinc/57/95/03/911579503.db2.gz HTHFOGYNVADKJM-CABCVRRESA-N 0 1 379.804 3.626 20 5 GHBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000092786116 911804041 /nfs/dbraw/zinc/80/40/41/911804041.db2.gz PQDCKCQTFOLQBC-AWEZNQCLSA-N 0 1 398.394 3.869 20 5 GHBDMN CN(C)[C@@H](CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC001182879202 912096457 /nfs/dbraw/zinc/09/64/57/912096457.db2.gz RRHRZSOQPDPSJL-INIZCTEOSA-N 0 1 382.247 3.934 20 5 GHBDMN CN(C)[C@H](CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC001182879203 912096804 /nfs/dbraw/zinc/09/68/04/912096804.db2.gz RRHRZSOQPDPSJL-MRXNPFEDSA-N 0 1 382.247 3.934 20 5 GHBDMN Cc1ccc([N+](=O)[O-])c(N2CC[C@]3(C2)CN(Cc2ccccc2)C[C@@H](C)O3)c1 ZINC001187430830 915285561 /nfs/dbraw/zinc/28/55/61/915285561.db2.gz QGYPHORHTSNMNB-XMSQKQJNSA-N 0 1 381.476 3.773 20 5 GHBDMN CN1CCN(c2ccc(CCNc3nc4ccccc4cc3[N+](=O)[O-])cc2)CC1 ZINC001187926778 915622513 /nfs/dbraw/zinc/62/25/13/915622513.db2.gz SAZDOZUIMPSODB-UHFFFAOYSA-N 0 1 391.475 3.549 20 5 GHBDMN Cc1cc(C)c(S(=O)(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)c(C)c1 ZINC000005681282 915704916 /nfs/dbraw/zinc/70/49/16/915704916.db2.gz WYAQMJUJFMRKNH-UHFFFAOYSA-N 0 1 377.447 3.931 20 5 GHBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NC[C@H]1CCCC[C@H]1c1ccccc1 ZINC001190349008 917277839 /nfs/dbraw/zinc/27/78/39/917277839.db2.gz ZZDMSNAZTKNMJA-CVEARBPZSA-N 0 1 392.452 3.986 20 5 GHBDMN Cc1ccccc1OCCCN(C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC001190417600 917325346 /nfs/dbraw/zinc/32/53/46/917325346.db2.gz MFNOQCYBPZPRRO-QGZVFWFLSA-N 0 1 385.464 3.940 20 5 GHBDMN Cn1cnc([N+](=O)[O-])c1CN[C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC000367461515 922119231 /nfs/dbraw/zinc/11/92/31/922119231.db2.gz AIPNHFKUVYZYEN-INIZCTEOSA-N 0 1 398.385 3.605 20 5 GHBDMN CCN(CC)C(=O)c1ccc(CN[C@H](C)c2cc(OC)cc([N+](=O)[O-])c2)cc1 ZINC000903067457 922743141 /nfs/dbraw/zinc/74/31/41/922743141.db2.gz QKVRQORNIBGSTN-OAHLLOKOSA-N 0 1 385.464 3.936 20 5 GHBDMN COc1cc([C@@H](C)N[C@H](C)c2ccc(N3CCOC3=O)cc2)cc([N+](=O)[O-])c1 ZINC000903080588 922755789 /nfs/dbraw/zinc/75/57/89/922755789.db2.gz QKNKTKQFHNPAQQ-ZIAGYGMSSA-N 0 1 385.420 3.972 20 5 GHBDMN O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000903700335 923219037 /nfs/dbraw/zinc/21/90/37/923219037.db2.gz BRMSUHICJOQGNE-YVLXSGLVSA-N 0 1 383.242 3.575 20 5 GHBDMN O=[N+]([O-])c1cc(CN[C@@H](c2ccccc2)C2CCOCC2)c2c(c1)COCO2 ZINC000369343415 923289765 /nfs/dbraw/zinc/28/97/65/923289765.db2.gz MXGKVPRICVDERU-FQEVSTJZSA-N 0 1 384.432 3.719 20 5 GHBDMN C[C@@H](Sc1n[nH]c(CCC2CCCC2)n1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000012104531 925996676 /nfs/dbraw/zinc/99/66/76/925996676.db2.gz REBSDQSSCVMCNA-GFCCVEGCSA-N 0 1 389.481 3.955 20 5 GHBDMN C[C@@H](Sc1nc(CCC2CCCC2)n[nH]1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000012104531 925996682 /nfs/dbraw/zinc/99/66/82/925996682.db2.gz REBSDQSSCVMCNA-GFCCVEGCSA-N 0 1 389.481 3.955 20 5 GHBDMN CCCc1[nH]nc(C(=O)N2CC(c3cccc(C(F)(F)F)c3)C2)c1[N+](=O)[O-] ZINC000412401372 927414023 /nfs/dbraw/zinc/41/40/23/927414023.db2.gz XRJQYEBWUPUZPW-UHFFFAOYSA-N 0 1 382.342 3.529 20 5 GHBDMN C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000750079123 927424499 /nfs/dbraw/zinc/42/44/99/927424499.db2.gz HGWMGNRRXXXKOK-HNNXBMFYSA-N 0 1 387.867 3.985 20 5 GHBDMN O=C(Nc1cccc(-c2nnc[nH]2)c1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000374995071 927791926 /nfs/dbraw/zinc/79/19/26/927791926.db2.gz NQCHHYOTFIENRK-UHFFFAOYSA-N 0 1 386.371 3.694 20 5 GHBDMN O=C(CN1CCCCC[C@H]1C[C@H](O)c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000751558983 928248543 /nfs/dbraw/zinc/24/85/43/928248543.db2.gz LPXWOLMGMVLELB-RXVVDRJESA-N 0 1 397.475 3.902 20 5 GHBDMN C/C(=C/C(=O)NC[C@@H](c1ccc(C)o1)N1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000751874498 928442434 /nfs/dbraw/zinc/44/24/34/928442434.db2.gz JLRPMVHOIPXXMS-ZDRDQBANSA-N 0 1 383.448 3.853 20 5 GHBDMN Cc1cc(Cl)c(S(=O)(=O)Nc2cccnc2OC(C)C)cc1[N+](=O)[O-] ZINC000753065234 929188180 /nfs/dbraw/zinc/18/81/80/929188180.db2.gz CASQGSLYUXMNNZ-UHFFFAOYSA-N 0 1 385.829 3.540 20 5 GHBDMN CC[C@@H]1CN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CCN1Cc1ccccc1 ZINC000544770122 929561245 /nfs/dbraw/zinc/56/12/45/929561245.db2.gz UPRXOJPNBHTQLY-QGZVFWFLSA-N 0 1 392.459 3.813 20 5 GHBDMN CCCn1ccc2cc(NS(=O)(=O)c3ccc([N+](=O)[O-])c(OC)c3)ccc21 ZINC000469158403 929639201 /nfs/dbraw/zinc/63/92/01/929639201.db2.gz ZURIPRDNKVFOPX-UHFFFAOYSA-N 0 1 389.433 3.769 20 5 GHBDMN CN(C)[C@@H]1CCOc2c(NC(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)cccc21 ZINC000469246267 929730651 /nfs/dbraw/zinc/73/06/51/929730651.db2.gz CHWAAMXPIDYTAE-LJQANCHMSA-N 0 1 394.431 3.643 20 5 GHBDMN COc1cc(Cc2noc(-c3cc(-c4ccc(C)cc4)n[nH]3)n2)ccc1[N+](=O)[O-] ZINC000546467478 930189404 /nfs/dbraw/zinc/18/94/04/930189404.db2.gz UDULOEWUAUQZRP-UHFFFAOYSA-N 0 1 391.387 3.943 20 5 GHBDMN O=[N+]([O-])c1cc2c(ncnc2Sc2nc(-c3cc(F)cc(F)c3)n[nH]2)s1 ZINC000557588233 931560661 /nfs/dbraw/zinc/56/06/61/931560661.db2.gz UEJKMVISKALYRH-UHFFFAOYSA-N 0 1 392.372 3.814 20 5 GHBDMN Cc1ccc2[nH]cc(C(=O)N(Cc3ccc([N+](=O)[O-])cc3)C3CC3)c(=O)c2c1 ZINC000557616825 931575195 /nfs/dbraw/zinc/57/51/95/931575195.db2.gz BAAYGPTVCXPJKJ-UHFFFAOYSA-N 0 1 377.400 3.550 20 5 GHBDMN O=[N+]([O-])c1ccc(CN[C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)cc1Cl ZINC000783625818 931599517 /nfs/dbraw/zinc/59/95/17/931599517.db2.gz FUTLVXMPINHFOV-ZBFHGGJFSA-N 0 1 388.773 3.872 20 5 GHBDMN COc1ccc2c(c1)CCC[C@@H]2N(C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000558063657 931823114 /nfs/dbraw/zinc/82/31/14/931823114.db2.gz RMEDRJZLZSHSPH-NRFANRHFSA-N 0 1 395.459 3.502 20 5 GHBDMN CN(CCn1ccc([N+](=O)[O-])n1)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000560175101 933111139 /nfs/dbraw/zinc/11/11/39/933111139.db2.gz MTQQUPUEVTYMEW-UHFFFAOYSA-N 0 1 396.291 3.961 20 5 GHBDMN Cc1ccc(CN2CCCN(C(=O)Nc3ccc([N+](=O)[O-])cc3C)CC2)cc1 ZINC001116718411 933719674 /nfs/dbraw/zinc/71/96/74/933719674.db2.gz WMHGHRYSMXBJET-UHFFFAOYSA-N 0 1 382.464 3.951 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)NCc2cccc(C(F)F)c2)c1 ZINC001117108652 933856892 /nfs/dbraw/zinc/85/68/92/933856892.db2.gz BLLVRZHLFOONEE-UHFFFAOYSA-N 0 1 394.758 3.803 20 5 GHBDMN O=C([O-])[C@@H]1C[C@H](C(F)(F)F)C[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC001119602732 934372490 /nfs/dbraw/zinc/37/24/90/934372490.db2.gz WBIORUFXMFNKEO-OLZOCXBDSA-N 0 1 398.337 3.940 20 5 GHBDMN CC(C)(C)Oc1ccncc1NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001137710862 935739285 /nfs/dbraw/zinc/73/92/85/935739285.db2.gz XEMFTNMNHMKGSO-UHFFFAOYSA-N 0 1 381.392 3.810 20 5 GHBDMN C[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000830166949 935908402 /nfs/dbraw/zinc/90/84/02/935908402.db2.gz CBRFEJJOKMSSLU-JKSUJKDBSA-N 0 1 382.464 3.873 20 5 GHBDMN CC1(C)C[C@@H](c2ccccc2)C[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001575639448 950869295 /nfs/dbraw/zinc/86/92/95/950869295.db2.gz BOAZXZBGFABPQZ-QGZVFWFLSA-N 0 1 378.436 3.543 20 5 GHBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@@H](C(=O)[O-])[C@H](C)C2)cc1OC ZINC001589458865 954856144 /nfs/dbraw/zinc/85/61/44/954856144.db2.gz OAJSNVKTBWVOBE-SQWLQELKSA-N 0 1 394.468 3.571 20 5 GHBDMN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(F)c(-c2nc[nH]n2)c1 ZINC000468195233 1015392396 /nfs/dbraw/zinc/39/23/96/1015392396.db2.gz DHKZKYXEEJAVSZ-JTQLQIEISA-N 0 1 387.396 3.638 20 5 GHBDMN C[N@H+](Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC001598507351 992522999 /nfs/dbraw/zinc/52/29/99/992522999.db2.gz OAKMFPONPNCOFL-PXNSSMCTSA-N 0 1 384.432 3.893 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001599622401 994102413 /nfs/dbraw/zinc/10/24/13/994102413.db2.gz KLUOCMIVVKWYEN-OAHLLOKOSA-N 0 1 385.203 3.826 20 5 GHBDMN C[C@H]([NH2+][C@@H](C(=O)[O-])c1ccccc1Br)c1cccc([N+](=O)[O-])c1 ZINC001593194368 994134311 /nfs/dbraw/zinc/13/43/11/994134311.db2.gz FZOGEFPBIMSPEG-ZUZCIYMTSA-N 0 1 379.210 3.834 20 5 GHBDMN CN1CCN(c2ccccc2-c2noc(/C=C\c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000546419052 1016618323 /nfs/dbraw/zinc/61/83/23/1016618323.db2.gz CXDNZWLEOYZMHP-FLIBITNWSA-N 0 1 391.431 3.567 20 5 GHBDMN Cc1ccc2ncc(O)c(C(=O)n3c4ccccc4cc4c(=O)c(N)ccc3-4)c2c1 ZINC001154532767 1032168730 /nfs/dbraw/zinc/16/87/30/1032168730.db2.gz VMLMHJVRZBRCNT-UHFFFAOYSA-N 0 1 395.418 3.939 20 5 GHBDMN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Oc1[n-]c(=O)nc2ccc([N+](=O)[O-])cc21 ZINC001227094430 1032268266 /nfs/dbraw/zinc/26/82/66/1032268266.db2.gz AZELEEWCSJTAPR-KUHUBIRLSA-N 0 1 394.431 3.533 20 5 GHBDMN O=C(c1ccco1)C(Oc1ccc(Br)nc1[N+](=O)[O-])c1ccco1 ZINC001227256492 1032345269 /nfs/dbraw/zinc/34/52/69/1032345269.db2.gz IVUUNUKSHAEZES-CQSZACIVSA-N 0 1 393.149 3.941 20 5 GHBDMN O=C(c1ccco1)[C@H](Oc1ccc(Br)nc1[N+](=O)[O-])c1ccco1 ZINC001227256492 1032345283 /nfs/dbraw/zinc/34/52/83/1032345283.db2.gz IVUUNUKSHAEZES-CQSZACIVSA-N 0 1 393.149 3.941 20 5 GHBDMN CCOC(=O)c1ccc(O[C@@H]2CCCN([C@@H](C)c3ccccn3)C2)c([N+](=O)[O-])c1 ZINC001227301946 1032363315 /nfs/dbraw/zinc/36/33/15/1032363315.db2.gz SALYCPVJBPCOJE-DOTOQJQBSA-N 0 1 399.447 3.771 20 5 GHBDMN CSc1nc(O[C@@H](c2ccc(C)cc2)C(F)(F)F)c([N+](=O)[O-])c(=O)[nH]1 ZINC001227624832 1032490021 /nfs/dbraw/zinc/49/00/21/1032490021.db2.gz GCTVDNCQGGUIMJ-JTQLQIEISA-N 0 1 375.328 3.803 20 5 GHBDMN O=C(NCCc1nnc(-c2ccccc2)[nH]1)c1ccnc2c1ccc1cccnc12 ZINC001155816995 1032722375 /nfs/dbraw/zinc/72/23/75/1032722375.db2.gz DBFUADIHSVEAMO-UHFFFAOYSA-N 0 1 394.438 3.541 20 5 GHBDMN CN(Cc1ccccc1)C1CN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000561281659 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QEJFJOKEBXQJSE-CQSZACIVSA-N 0 1 387.867 3.733 20 5 GHBDMN COc1ccc(CNCc2ccc(NC(=O)OC(C)(C)C)nc2)cc1[N+](=O)[O-] ZINC000756108364 1023525605 /nfs/dbraw/zinc/52/56/05/1023525605.db2.gz WWMAUQPHXQHTOM-UHFFFAOYSA-N 0 1 388.424 3.635 20 5 GHBDMN C[NH+](C)CC[C@H](Oc1[n-]c(C(F)(F)F)cc(=O)c1[N+](=O)[O-])c1cccs1 ZINC001228862123 1033144564 /nfs/dbraw/zinc/14/45/64/1033144564.db2.gz KTUPMPLYBMXWSI-JTQLQIEISA-N 0 1 391.371 3.848 20 5 GHBDMN CN(C(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C1CCN(CCC(F)(F)F)CC1 ZINC000837184828 1024202353 /nfs/dbraw/zinc/20/23/53/1024202353.db2.gz NHSVLWUXJGCDAI-UHFFFAOYSA-N 0 1 393.793 3.737 20 5 GHBDMN O=c1cc(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c2ccc(O)cc2o1 ZINC000831538525 1024628881 /nfs/dbraw/zinc/62/88/81/1024628881.db2.gz CVCMULLANSWTLJ-HNNXBMFYSA-N 0 1 380.400 3.786 20 5 GHBDMN O=c1cc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c2ccc([O-])cc2o1 ZINC000831538525 1024628887 /nfs/dbraw/zinc/62/88/87/1024628887.db2.gz CVCMULLANSWTLJ-HNNXBMFYSA-N 0 1 380.400 3.786 20 5 GHBDMN O=c1cc(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c2ccc([O-])cc2o1 ZINC000831538525 1024628896 /nfs/dbraw/zinc/62/88/96/1024628896.db2.gz CVCMULLANSWTLJ-HNNXBMFYSA-N 0 1 380.400 3.786 20 5 GHBDMN CC(C)(CO)[C@@H](NCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])c1cccs1 ZINC000839603199 1026103123 /nfs/dbraw/zinc/10/31/23/1026103123.db2.gz AGWCWGDTQCKNIS-INIZCTEOSA-N 0 1 397.884 3.598 20 5 GHBDMN O=[N+]([O-])c1ccccc1-c1cc(C(F)(F)F)c(N[C@H]2CN3CCC2CC3)nn1 ZINC001163388304 1026174485 /nfs/dbraw/zinc/17/44/85/1026174485.db2.gz SXYFFWICIPAFPN-HNNXBMFYSA-N 0 1 393.369 3.577 20 5 GHBDMN O=[N+]([O-])c1ccc(N2CCO[C@@H]3CCN(Cc4ccccc4)C[C@H]32)c(Cl)c1 ZINC001163657435 1026269498 /nfs/dbraw/zinc/26/94/98/1026269498.db2.gz YZLZCWRYDIMAFB-WOJBJXKFSA-N 0 1 387.867 3.728 20 5 GHBDMN CC1=CCN(CCNC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC001139722041 1026564386 /nfs/dbraw/zinc/56/43/86/1026564386.db2.gz NHVIHVCWAPBCRR-UHFFFAOYSA-N 0 1 380.448 3.720 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2ccc(CNCc3cccnc3-n3cccn3)o2)cc1 ZINC001461179013 1069428886 /nfs/dbraw/zinc/42/88/86/1069428886.db2.gz WQMONTKLQJWERA-UHFFFAOYSA-N 0 1 375.388 3.725 20 5 GHBDMN O=[N+]([O-])c1ccc([C@@H]2CCCN(Cn3ccc(-c4ccc(F)cn4)n3)C2)cc1 ZINC000840121797 1027242779 /nfs/dbraw/zinc/24/27/79/1027242779.db2.gz BLNVVUJZZMVTBL-MRXNPFEDSA-N 0 1 381.411 3.830 20 5 GHBDMN COc1ccc(Nc2ccc(O)c([N+](=O)[O-])c2)c(I)c1 ZINC001210398765 1027490113 /nfs/dbraw/zinc/49/01/13/1027490113.db2.gz PCVDWHSPBKOTRG-UHFFFAOYSA-N 0 1 386.145 3.657 20 5 GHBDMN COC(=O)c1cc(F)c(Nc2ccc(O)c([N+](=O)[O-])c2)c(Br)c1 ZINC001210400907 1027490366 /nfs/dbraw/zinc/49/03/66/1027490366.db2.gz NLCABHOMBMOLFS-UHFFFAOYSA-N 0 1 385.145 3.732 20 5 GHBDMN COC(=O)c1cc(Br)cc(Nc2ccc(O)c([N+](=O)[O-])c2)c1OC ZINC001210399820 1027490603 /nfs/dbraw/zinc/49/06/03/1027490603.db2.gz WDFNNFKRKWAVSB-UHFFFAOYSA-N 0 1 397.181 3.602 20 5 GHBDMN CCS[C@@H]1CCC[C@@H]1NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC001210632060 1027582698 /nfs/dbraw/zinc/58/26/98/1027582698.db2.gz ONHCNGIUEZFDEC-CMPLNLGQSA-N 0 1 399.321 3.854 20 5 GHBDMN Nc1nc2ccccc2n1-c1cc(C(=O)OCc2ccccc2)cc([N+](=O)[O-])c1 ZINC001211407728 1027945828 /nfs/dbraw/zinc/94/58/28/1027945828.db2.gz VVUIOEFXNHQFGW-UHFFFAOYSA-N 0 1 388.383 3.873 20 5 GHBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)N[C@H](c1ccc(F)cc1)C1CCCCC1 ZINC001213395912 1028162658 /nfs/dbraw/zinc/16/26/58/1028162658.db2.gz RSUREIIGQVTFNH-KRWDZBQOSA-N 0 1 393.440 3.729 20 5 GHBDMN C[C@@H](CNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)CC(F)(F)F ZINC000841563858 1028733082 /nfs/dbraw/zinc/73/30/82/1028733082.db2.gz WTBIZBYEDOWKLO-ZCFIWIBFSA-N 0 1 395.186 3.768 20 5 GHBDMN COc1cccc([N+](=O)[O-])c1-c1nc(-c2ncccc2/C=C/N2CCCC2)no1 ZINC001216905339 1029990968 /nfs/dbraw/zinc/99/09/68/1029990968.db2.gz SIKKOFIMUKGQPF-UKTHLTGXSA-N 0 1 393.403 3.782 20 5 GHBDMN Cc1ccc(-c2noc(-c3cc([N+](=O)[O-])cc(N4CCN(C)CC4)c3)n2)cc1C ZINC001217017740 1030093326 /nfs/dbraw/zinc/09/33/26/1030093326.db2.gz BLEXVTXDCBKEJU-UHFFFAOYSA-N 0 1 393.447 3.680 20 5 GHBDMN COC(=O)c1cc(CO[C@H]2CCCN([C@H](C)c3ccccn3)C2)cc([N+](=O)[O-])c1 ZINC001223692217 1030707152 /nfs/dbraw/zinc/70/71/52/1030707152.db2.gz ZGWRNDYTBXIAGT-BEFAXECRSA-N 0 1 399.447 3.519 20 5 GHBDMN CC(C)[C@H]1CN(Cc2ccccc2)CCN1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC001461724483 1069704005 /nfs/dbraw/zinc/70/40/05/1069704005.db2.gz QNBMZIPOWHAIPK-VPAPRSNLSA-N 0 1 393.487 3.977 20 5 GHBDMN O=[N+]([O-])c1ccc(O[C@H]2COCCN(Cc3ccccc3)C2)c(C(F)(F)F)c1 ZINC001226312768 1031912619 /nfs/dbraw/zinc/91/26/19/1031912619.db2.gz CGEWBGQWNUWDMI-MRXNPFEDSA-N 0 1 396.365 3.893 20 5 GHBDMN Cc1cc(=O)oc2c1ccc(O[C@@H]1CCN([C@H](C)c3ccccn3)C1)c2[N+](=O)[O-] ZINC001229945729 1033807914 /nfs/dbraw/zinc/80/79/14/1033807914.db2.gz BQODUMGJTSGWIK-HUUCEWRRSA-N 0 1 395.415 3.619 20 5 GHBDMN O=C(Nc1cc(F)c(O)cc1Cl)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC001157899455 1033815415 /nfs/dbraw/zinc/81/54/15/1033815415.db2.gz IVGCHFPJCBYESR-UHFFFAOYSA-N 0 1 382.731 3.507 20 5 GHBDMN COc1c(O)cc2oc(-c3ccccc3)cc(=O)c2c1O[C@H](C[N+](=O)[O-])C1CC1 ZINC001230088288 1033892523 /nfs/dbraw/zinc/89/25/23/1033892523.db2.gz FCQYYMZPUMRSNM-GOSISDBHSA-N 0 1 397.383 3.608 20 5 GHBDMN C[C@@H](c1ccccn1)N1CC[C@@H](Oc2cccc(Br)c2[N+](=O)[O-])C1 ZINC001230326585 1033998778 /nfs/dbraw/zinc/99/87/78/1033998778.db2.gz PNTUJLZTFLMEPR-QWHCGFSZSA-N 0 1 392.253 3.967 20 5 GHBDMN C[C@@H]1CC[C@H](Oc2cc3[nH]ncc3cc2[N+](=O)[O-])CN1C(=O)OC(C)(C)C ZINC001230600752 1034142908 /nfs/dbraw/zinc/14/29/08/1034142908.db2.gz HPYGMGVUDVYIRC-YPMHNXCESA-N 0 1 376.413 3.638 20 5 GHBDMN C[C@H](c1ccccn1)N1CCC[C@@H](Oc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC001231056490 1034369933 /nfs/dbraw/zinc/36/99/33/1034369933.db2.gz SSJVBVMDDMSFAT-HUUCEWRRSA-N 0 1 379.420 3.537 20 5 GHBDMN N[C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)N1CCC[C@H](c2ncc[nH]2)C1 ZINC001160692897 1035037566 /nfs/dbraw/zinc/03/75/66/1035037566.db2.gz HINATROZNPFLPV-CVDCTZTESA-N 0 1 398.510 3.992 20 5 GHBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1ccc(C(F)F)c(F)c1 ZINC001160727291 1035045514 /nfs/dbraw/zinc/04/55/14/1035045514.db2.gz KDIUPZQRULEXPQ-UHFFFAOYSA-N 0 1 377.282 3.709 20 5 GHBDMN O=C1OCCCN1C1CCN(Cc2ccc3ccc4cccnc4c3n2)CC1 ZINC001232228653 1035173294 /nfs/dbraw/zinc/17/32/94/1035173294.db2.gz TUUQXSHYOKDTTO-UHFFFAOYSA-N 0 1 376.460 3.590 20 5 GHBDMN CC(C)(C)OC(=O)NC/C=C/CNCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001462193023 1070071087 /nfs/dbraw/zinc/07/10/87/1070071087.db2.gz SQTRBEPCXJYZPD-SNAWJCMRSA-N 0 1 389.374 3.784 20 5 GHBDMN CCOC(=O)Cc1ccc([N+](=O)[O-])c(OC(C(=O)c2ccco2)c2ccco2)c1 ZINC001234409715 1040012631 /nfs/dbraw/zinc/01/26/31/1040012631.db2.gz FQTPSTXELMVSPM-FQEVSTJZSA-N 0 1 399.355 3.889 20 5 GHBDMN CCOC(=O)Cc1ccc([N+](=O)[O-])c(O[C@H](C(=O)c2ccco2)c2ccco2)c1 ZINC001234409715 1040012649 /nfs/dbraw/zinc/01/26/49/1040012649.db2.gz FQTPSTXELMVSPM-FQEVSTJZSA-N 0 1 399.355 3.889 20 5 GHBDMN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCN(c2nccc3ccccc32)CC1 ZINC001254559577 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HVVOLGZUDPOGJW-ZDUSSCGKSA-N 0 1 382.386 3.802 20 5 GHBDMN O=[N+]([O-])c1ccc([C@@H](O)CNCc2cc(Cl)ccc2Br)cc1 ZINC001262557666 1046268462 /nfs/dbraw/zinc/26/84/62/1046268462.db2.gz IPRMKFQWFYIXCD-HNNXBMFYSA-N 0 1 385.645 3.834 20 5 GHBDMN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CCN1C1CCCC1 ZINC001303540775 1047420375 /nfs/dbraw/zinc/42/03/75/1047420375.db2.gz UQBUBEHHIJXODT-LBPRGKRZSA-N 0 1 385.386 3.703 20 5 GHBDMN COc1ccc(CN[C@@H]2CCCN(c3ccccc3Cl)C2=O)cc1[N+](=O)[O-] ZINC001308285183 1049937670 /nfs/dbraw/zinc/93/76/70/1049937670.db2.gz RBGMPTRFJGLSRV-OAHLLOKOSA-N 0 1 389.839 3.542 20 5 GHBDMN CN(Cc1ccccc1)C1CN(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001308807423 1050102540 /nfs/dbraw/zinc/10/25/40/1050102540.db2.gz PMFLRVNYIQVCEL-UHFFFAOYSA-N 0 1 379.382 3.930 20 5 GHBDMN CCC[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)Cc1nc(=O)c2sccc2[n-]1 ZINC001337001541 1052375932 /nfs/dbraw/zinc/37/59/32/1052375932.db2.gz VAKYYXGWSGFUAZ-UHFFFAOYSA-N 0 1 388.449 3.726 20 5 GHBDMN CCC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)Cc1nc(=O)c2sccc2[n-]1 ZINC001337001541 1052375941 /nfs/dbraw/zinc/37/59/41/1052375941.db2.gz VAKYYXGWSGFUAZ-UHFFFAOYSA-N 0 1 388.449 3.726 20 5 GHBDMN CC[C@H](NC(=O)NC[C@H]1CCN1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC001312432547 1052740822 /nfs/dbraw/zinc/74/08/22/1052740822.db2.gz BZMXRQSFNLQDOZ-UXHICEINSA-N 0 1 382.464 3.620 20 5 GHBDMN CCNC(=O)[C@@H](NCc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C(C)C ZINC001343893739 1054097247 /nfs/dbraw/zinc/09/72/47/1054097247.db2.gz DNNGJGZGKHAVCE-KRWDZBQOSA-N 0 1 379.844 3.759 20 5 GHBDMN CN1CCN(C(C)(C)CNc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC001317765110 1054250610 /nfs/dbraw/zinc/25/06/10/1054250610.db2.gz JOECKQHQWSSIFX-UHFFFAOYSA-N 0 1 394.825 3.705 20 5 GHBDMN COc1cc(CN(C)[C@@H]2CC[C@H](SC)C2)c([N+](=O)[O-])cc1OC(F)F ZINC001318792458 1054876088 /nfs/dbraw/zinc/87/60/88/1054876088.db2.gz PRHVHDNDVGTFEN-NEPJUHHUSA-N 0 1 376.425 3.921 20 5 GHBDMN NC(=O)CN(Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C1CCCC1 ZINC001319949777 1055558406 /nfs/dbraw/zinc/55/84/06/1055558406.db2.gz GDHCHQNWIMZNJT-UHFFFAOYSA-N 0 1 377.828 3.738 20 5 GHBDMN O=[N+]([O-])c1ccc([C@@H](O)CN2CC(Cc3ccccc3C(F)(F)F)C2)cc1 ZINC001320150367 1055677721 /nfs/dbraw/zinc/67/77/21/1055677721.db2.gz RXLBCDQHOCKESX-SFHVURJKSA-N 0 1 380.366 3.822 20 5 GHBDMN O=[N+]([O-])c1ccc(CN2CCc3ccc(O)cc3CC2)c(Br)c1 ZINC001320704531 1055934154 /nfs/dbraw/zinc/93/41/54/1055934154.db2.gz AWSBRGGJLJMTTM-UHFFFAOYSA-N 0 1 377.238 3.664 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N2CCC(c3nc4ccccc4o3)CC2)c1[N+](=O)[O-] ZINC001324140408 1057077557 /nfs/dbraw/zinc/07/75/57/1057077557.db2.gz PCKZZAPRXOJIDY-UHFFFAOYSA-N 0 1 383.408 3.602 20 5 GHBDMN COc1cc(CNc2cc(C)c(Br)c(C)n2)cc([N+](=O)[O-])c1O ZINC001325114215 1057277139 /nfs/dbraw/zinc/27/71/39/1057277139.db2.gz QJICSAOKIAGECO-UHFFFAOYSA-N 0 1 382.214 3.695 20 5 GHBDMN Cc1ccc(CN2CCCN(C(=O)c3cc([N+](=O)[O-])c(C)cc3C)CC2)cc1 ZINC001440862601 1058638052 /nfs/dbraw/zinc/63/80/52/1058638052.db2.gz CFGCPIWNVZSQOQ-UHFFFAOYSA-N 0 1 381.476 3.868 20 5 GHBDMN CCC[N@@H+](C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1[O-])c1ccc(Cl)cc1 ZINC001449265181 1060366281 /nfs/dbraw/zinc/36/62/81/1060366281.db2.gz NPXJQXMTYFQBQA-QGZVFWFLSA-N 0 1 391.855 3.767 20 5 GHBDMN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)Nc3ccc4cncn4c3)cc2[N+](=O)[O-])C1 ZINC001456439777 1062683049 /nfs/dbraw/zinc/68/30/49/1062683049.db2.gz VCWCYBMGSAUVLX-HUUCEWRRSA-N 0 1 393.447 3.977 20 5 GHBDMN C[C@@H](NC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)C1=NN(C)CC1=O ZINC001456792119 1062858182 /nfs/dbraw/zinc/85/81/82/1062858182.db2.gz LULWXBGHBQFBKF-GFCCVEGCSA-N 0 1 398.444 3.676 20 5 GHBDMN COc1cc(N2CCC(CCCN3CCOCC3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC001458281967 1063719250 /nfs/dbraw/zinc/71/92/50/1063719250.db2.gz GLFKZEHIMIXSRL-UHFFFAOYSA-N 0 1 397.903 3.586 20 5 GHBDMN CCOC(=O)c1cc([N+](=O)[O-])c(N2CCN([C@H](C)c3ccccc3)CC2)cc1C ZINC001458563973 1063894023 /nfs/dbraw/zinc/89/40/23/1063894023.db2.gz OPTHYTMEZLNUET-QGZVFWFLSA-N 0 1 397.475 3.963 20 5 GHBDMN COc1ccc2c(c1)CCN(Cc1cc([N+](=O)[O-])ccc1Br)CC2 ZINC001459881280 1064254612 /nfs/dbraw/zinc/25/46/12/1064254612.db2.gz HEBRWGQVWICXDD-UHFFFAOYSA-N 0 1 391.265 3.967 20 5 GHBDMN CN(C)[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)c1ccc(F)cc1 ZINC001467066353 1067045380 /nfs/dbraw/zinc/04/53/80/1067045380.db2.gz OGOWJOLEGKFXAQ-IBGZPJMESA-N 0 1 397.410 3.707 20 5 GHBDMN CC[C@@H](C)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)CC1 ZINC001468088815 1067592267 /nfs/dbraw/zinc/59/22/67/1067592267.db2.gz MOZQRFGJMSTGCH-QGZVFWFLSA-N 0 1 396.491 3.763 20 5 GHBDMN CCC1(CC)[C@H](OC)C[C@@H]1NCc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001460072210 1068761840 /nfs/dbraw/zinc/76/18/40/1068761840.db2.gz XXZSGYBPNQZCOS-LSDHHAIUSA-N 0 1 394.859 3.982 20 5 GHBDMN CN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H](c1nnc[nH]1)c1ccccc1 ZINC001460219712 1068868255 /nfs/dbraw/zinc/86/82/55/1068868255.db2.gz WKOXXMANCIRVHB-SFHVURJKSA-N 0 1 390.403 3.589 20 5 GHBDMN CC(C)(C)OC(=O)[C@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])Cc2ccccc21 ZINC001460412761 1068956432 /nfs/dbraw/zinc/95/64/32/1068956432.db2.gz BKPWWSQGBCPXMU-SFHVURJKSA-N 0 1 384.432 3.742 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](c1ncccc1C)C(C)(C)C ZINC001460912448 1069269959 /nfs/dbraw/zinc/26/99/59/1069269959.db2.gz YFMCDBZWPMKOOV-IBGZPJMESA-N 0 1 386.452 3.622 20 5 GHBDMN C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC001470781339 1072736597 /nfs/dbraw/zinc/73/65/97/1072736597.db2.gz OPWMIMUYQGAFHV-UZLBHIALSA-N 0 1 399.516 3.714 20 5 GHBDMN Cc1ccc(C(=O)N2CCc3nc[nH]c3[C@@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC001471645000 1073167829 /nfs/dbraw/zinc/16/78/29/1073167829.db2.gz GHFDWQGHWVNMAV-IBGZPJMESA-N 0 1 380.379 3.553 20 5 GHBDMN Cc1cc([C@H]2CCCCN2C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n[nH]1 ZINC001472103005 1073335052 /nfs/dbraw/zinc/33/50/52/1073335052.db2.gz JSBUCTXSRWMWRL-QGZVFWFLSA-N 0 1 383.452 3.594 20 5 GHBDMN Cc1ccc(CSc2n[nH]c(NC(=O)Cc3cccc([N+](=O)[O-])c3C)n2)cc1 ZINC001472357389 1073443867 /nfs/dbraw/zinc/44/38/67/1073443867.db2.gz KSEVFAVRFINCGH-UHFFFAOYSA-N 0 1 397.460 3.803 20 5 GHBDMN CC(C)c1ccc(CN2CCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)cc1 ZINC001472795907 1073669035 /nfs/dbraw/zinc/66/90/35/1073669035.db2.gz VCAXOFZQGKDALY-UHFFFAOYSA-N 0 1 379.464 3.917 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@H](C2CCCCC2)C1 ZINC001473670861 1074077261 /nfs/dbraw/zinc/07/72/61/1074077261.db2.gz PXYVKEUELRWQPD-INIZCTEOSA-N 0 1 375.469 3.834 20 5 GHBDMN C[C@H]1Cc2cc(CNCc3ccc(Br)cc3[N+](=O)[O-])ccc2O1 ZINC001474248855 1074309965 /nfs/dbraw/zinc/30/99/65/1074309965.db2.gz TVBZEJBOFCFCRZ-NSHDSACASA-N 0 1 377.238 3.971 20 5 GHBDMN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNC[C@@H](O)c1cc(F)c(F)c(F)c1 ZINC001474644341 1074496742 /nfs/dbraw/zinc/49/67/42/1074496742.db2.gz PHYRWKPVUPISPO-CQSZACIVSA-N 0 1 394.271 3.854 20 5 GHBDMN O=C([O-])[C@H]1Cc2ccccc2C[N@@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000833193712 604467894 /nfs/dbraw/zinc/46/78/94/604467894.db2.gz JSIGSBPTFYVDIJ-GOSISDBHSA-N 0 1 395.440 3.730 20 5 GHBDMN O=C([O-])[C@H]1Cc2ccccc2C[N@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000833193712 604467896 /nfs/dbraw/zinc/46/78/96/604467896.db2.gz JSIGSBPTFYVDIJ-GOSISDBHSA-N 0 1 395.440 3.730 20 5 GHBDMN CC(C)N(C)Cc1cnc2n1CCN(c1ccc3c(cccc3[N+](=O)[O-])n1)[C@H]2C ZINC001164857886 720956523 /nfs/dbraw/zinc/95/65/23/720956523.db2.gz HWBREXNVKMNMPC-HNNXBMFYSA-N 0 1 394.479 3.761 20 5 GHBDMN Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)n1 ZINC001164994839 722202097 /nfs/dbraw/zinc/20/20/97/722202097.db2.gz IRHGBZDRCUPVFF-NRFANRHFSA-N 0 1 384.455 3.991 20 5 GHBDMN CCOc1cccc([C@@H](C)N[C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c1 ZINC000180705140 837485419 /nfs/dbraw/zinc/48/54/19/837485419.db2.gz OBIPVIMMHYGXMR-KGLIPLIRSA-N 0 1 387.436 3.680 20 5 GHBDMN C[C@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(-c2ccncc2)cc1 ZINC000180886655 837665196 /nfs/dbraw/zinc/66/51/96/837665196.db2.gz AQVBDVUQZIUMGL-AWEZNQCLSA-N 0 1 376.416 3.607 20 5 GHBDMN C[C@@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(-c2ccncc2)cc1 ZINC000180886676 837665710 /nfs/dbraw/zinc/66/57/10/837665710.db2.gz AQVBDVUQZIUMGL-CQSZACIVSA-N 0 1 376.416 3.607 20 5 GHBDMN CCCC(=O)Nc1cccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)c1C ZINC000120212672 834920942 /nfs/dbraw/zinc/92/09/42/834920942.db2.gz NJFJESLKUIQFFS-UHFFFAOYSA-N 0 1 383.451 3.504 20 5 GHBDMN Cc1nc(SCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[nH]c1-c1ccccc1 ZINC000187149711 835053498 /nfs/dbraw/zinc/05/34/98/835053498.db2.gz BNRCIPVJBXATAG-UHFFFAOYSA-N 0 1 394.456 3.975 20 5 GHBDMN Cc1cc(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c2cc(F)ccc2n1 ZINC000127065622 835387878 /nfs/dbraw/zinc/38/78/78/835387878.db2.gz YQGGRJJWBZTHKC-UHFFFAOYSA-N 0 1 394.406 3.553 20 5 GHBDMN CC(C)(C)N1CCCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC1 ZINC000547704893 835516533 /nfs/dbraw/zinc/51/65/33/835516533.db2.gz OEJKJSOCJJQPFK-UHFFFAOYSA-N 0 1 377.488 3.628 20 5 GHBDMN CCOc1ccc([C@@H](C)N[C@H]2CCCN(Cc3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000179495998 835742913 /nfs/dbraw/zinc/74/29/13/835742913.db2.gz CJBSAYJAKJSGHD-APWZRJJASA-N 0 1 397.475 3.835 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C)c1ccc(OC(C)C)cc1 ZINC000179525657 835862748 /nfs/dbraw/zinc/86/27/48/835862748.db2.gz VMIVAMJAUXWSEN-CQSZACIVSA-N 0 1 387.436 3.680 20 5 GHBDMN COC(=O)c1cccc2nc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)[nH]c21 ZINC000179777111 835976412 /nfs/dbraw/zinc/97/64/12/835976412.db2.gz HJNCDIBNZNNHOC-UHFFFAOYSA-N 0 1 396.384 3.725 20 5 GHBDMN O=C(CCOc1ccccc1[N+](=O)[O-])Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000179841912 836085867 /nfs/dbraw/zinc/08/58/67/836085867.db2.gz DOYNPUFJUSYCQQ-UHFFFAOYSA-N 0 1 376.319 3.816 20 5 GHBDMN CCOc1cc(N2CCN(C[C@@H]3CCC4(CCCC4)O3)CC2)ccc1[N+](=O)[O-] ZINC000548936704 836325652 /nfs/dbraw/zinc/32/56/52/836325652.db2.gz ZNTKPYZNIIQMFT-SFHVURJKSA-N 0 1 389.496 3.607 20 5 GHBDMN CCc1[nH]nc(C(=O)N2CCC([C@H](F)c3ccccc3F)CC2)c1[N+](=O)[O-] ZINC000375991258 836435489 /nfs/dbraw/zinc/43/54/89/836435489.db2.gz HMPWBEIKIPHRBK-HNNXBMFYSA-N 0 1 378.379 3.582 20 5 GHBDMN O=C(CCN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)Nc1ccccn1 ZINC000540918897 836613836 /nfs/dbraw/zinc/61/38/36/836613836.db2.gz BEWSNANPZIKCOC-OAQYLSRUSA-N 0 1 376.416 3.698 20 5 GHBDMN O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1NCc1nccc(C(F)(F)F)n1 ZINC000414235881 836673234 /nfs/dbraw/zinc/67/32/34/836673234.db2.gz HNWWKKUEJOVCGY-OCCSQVGLSA-N 0 1 380.370 3.905 20 5 GHBDMN CCc1nn(C)c(OC)c1CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000180270107 836916216 /nfs/dbraw/zinc/91/62/16/836916216.db2.gz GPMCINOWLMYSCD-UHFFFAOYSA-N 0 1 386.477 3.918 20 5 GHBDMN CN(CC(C)(C)O)[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000177728610 837079964 /nfs/dbraw/zinc/07/99/64/837079964.db2.gz XWGPXPBDFYACLW-QGZVFWFLSA-N 0 1 391.855 3.631 20 5 GHBDMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000180389415 837201372 /nfs/dbraw/zinc/20/13/72/837201372.db2.gz YHFMBSAQEZVSMP-UHFFFAOYSA-N 0 1 396.491 3.833 20 5 GHBDMN CCOc1ccc(NC(=O)CN[C@H](C)c2cccc([N+](=O)[O-])c2)cc1OCC ZINC000180434251 837256314 /nfs/dbraw/zinc/25/63/14/837256314.db2.gz SOSSDXFQAIEKAG-CQSZACIVSA-N 0 1 387.436 3.682 20 5 GHBDMN CCc1ccc(C(=O)Nc2ccccc2N2CCN(CC)CC2)cc1[N+](=O)[O-] ZINC000471362196 837370449 /nfs/dbraw/zinc/37/04/49/837370449.db2.gz CHVJJSIBVXEWNB-UHFFFAOYSA-N 0 1 382.464 3.551 20 5 GHBDMN COc1cc([C@@H](C)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)ccc1S(C)(=O)=O ZINC000181236513 837903794 /nfs/dbraw/zinc/90/37/94/837903794.db2.gz MVOZVCMEHXAWFP-UONOGXRCSA-N 0 1 392.477 3.727 20 5 GHBDMN CCN(C)C(=O)[C@H](C)NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000188891820 837973729 /nfs/dbraw/zinc/97/37/29/837973729.db2.gz GMOMVYSQOPQMPQ-ZDUSSCGKSA-N 0 1 391.855 3.997 20 5 GHBDMN COc1ccc(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c(C)c1OC ZINC000580004748 838304737 /nfs/dbraw/zinc/30/47/37/838304737.db2.gz DNDUTVVXOPHWNF-UHFFFAOYSA-N 0 1 386.448 3.964 20 5 GHBDMN O=C(CCCc1c[nH]c2ccccc12)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000103202374 838377049 /nfs/dbraw/zinc/37/70/49/838377049.db2.gz CFYGSUZQKQISFB-UHFFFAOYSA-N 0 1 390.403 3.823 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CNC1(c2ccc(Cl)cc2)CCC1 ZINC000104708075 838901030 /nfs/dbraw/zinc/90/10/30/838901030.db2.gz KEGPSNGNAFXQFQ-UHFFFAOYSA-N 0 1 389.839 3.864 20 5 GHBDMN O=[N+]([O-])c1ccccc1/C=C\CN1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000255301768 839171946 /nfs/dbraw/zinc/17/19/46/839171946.db2.gz UNMPEEGGKXXTDD-OTIVFRFGSA-N 0 1 381.480 3.806 20 5 GHBDMN CCc1nc2c(s1)[C@H](N(C)C(=O)c1[nH]nc3ccc([N+](=O)[O-])cc31)CCC2 ZINC000119125055 839617036 /nfs/dbraw/zinc/61/70/36/839617036.db2.gz VKQNEAKWMVADJZ-CQSZACIVSA-N 0 1 385.449 3.640 20 5 GHBDMN Nc1c(C(=O)N2CCN(CC3CCCCC3)CC2)cc2ccccc2c1[N+](=O)[O-] ZINC001125468968 840066245 /nfs/dbraw/zinc/06/62/45/840066245.db2.gz FSFNQKSAOTYENA-UHFFFAOYSA-N 0 1 396.491 3.668 20 5 GHBDMN O=C(NCCc1nc2ccc(F)cc2[nH]1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000176145891 844537735 /nfs/dbraw/zinc/53/77/35/844537735.db2.gz MMPJXZQOESJIHU-UHFFFAOYSA-N 0 1 396.300 3.602 20 5 GHBDMN COc1ccc(CN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])[C@H](C)C2CC2)cc1 ZINC000566452147 840641217 /nfs/dbraw/zinc/64/12/17/840641217.db2.gz IGUGKBUXVLVDRS-CYBMUJFWSA-N 0 1 386.452 3.891 20 5 GHBDMN Cc1ccc(CN[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)cc1S(C)(=O)=O ZINC000417334255 840737504 /nfs/dbraw/zinc/73/75/04/840737504.db2.gz RDNHQRFHAVUFPP-IBGZPJMESA-N 0 1 388.489 3.864 20 5 GHBDMN CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OCC)C1 ZINC000512562115 844573547 /nfs/dbraw/zinc/57/35/47/844573547.db2.gz PPZAFCSVNVEKQF-HOTGVXAUSA-N 0 1 377.485 3.510 20 5 GHBDMN CCC[C@H](C)NC(=O)[C@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2OCC)C1 ZINC000512562115 844573555 /nfs/dbraw/zinc/57/35/55/844573555.db2.gz PPZAFCSVNVEKQF-HOTGVXAUSA-N 0 1 377.485 3.510 20 5 GHBDMN O=C(OCc1nc2ccc(Br)cc2[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000780524573 840827435 /nfs/dbraw/zinc/82/74/35/840827435.db2.gz CJAPMPRQQDCGTM-UHFFFAOYSA-N 0 1 376.166 3.591 20 5 GHBDMN COc1ccc(NC(=O)CN2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)c([N+](=O)[O-])c1 ZINC000511841046 840914394 /nfs/dbraw/zinc/91/43/94/840914394.db2.gz FKLBGTZBHMHDOE-NLWGTHIKSA-N 0 1 395.459 3.810 20 5 GHBDMN CC(C)(C(=O)NC1CCN(Cc2ccc(F)cc2)CC1)c1ccccc1[N+](=O)[O-] ZINC000429839045 844617553 /nfs/dbraw/zinc/61/75/53/844617553.db2.gz JBPKSIONUONTBF-UHFFFAOYSA-N 0 1 399.466 3.792 20 5 GHBDMN O=C(Nc1nnc(/C=C/c2ccco2)s1)c1cc(F)c([N+](=O)[O-])cc1F ZINC000134484844 841425351 /nfs/dbraw/zinc/42/53/51/841425351.db2.gz IZOXXMLQYAPBIB-ONEGZZNKSA-N 0 1 378.316 3.740 20 5 GHBDMN CC[C@H](N[C@H](Cc1ccccc1)C(=O)N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000131109448 861203371 /nfs/dbraw/zinc/20/33/71/861203371.db2.gz DRXOUEWBDHFRGA-LEWJYISDSA-N 0 1 381.476 3.869 20 5 GHBDMN CCCN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@H]1CCc2ccccc2C1 ZINC000108911718 841722946 /nfs/dbraw/zinc/72/29/46/841722946.db2.gz ZVKPZQVHPQWFFB-INIZCTEOSA-N 0 1 378.432 3.881 20 5 GHBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133269 841853211 /nfs/dbraw/zinc/85/32/11/841853211.db2.gz OKKAMUQELLAVTM-PGRDOPGGSA-N 0 1 397.475 3.941 20 5 GHBDMN Cc1nc(-c2ccccc2)[nH]c1C(=O)O[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000759945207 841980504 /nfs/dbraw/zinc/98/05/04/841980504.db2.gz TWGOWICVBQJJAW-CVEARBPZSA-N 0 1 395.419 3.831 20 5 GHBDMN COc1cc(CN(C)CCn2cc([N+](=O)[O-])cn2)ccc1OCc1ccccc1 ZINC000471713523 842230726 /nfs/dbraw/zinc/23/07/26/842230726.db2.gz NFQDSFYCGKJSIA-UHFFFAOYSA-N 0 1 396.447 3.511 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2noc(CN3CCC[C@@H]3Cc3ccc(F)cc3)n2)c1 ZINC000055908382 842287979 /nfs/dbraw/zinc/28/79/79/842287979.db2.gz RNUQVEFKUFTYOL-QGZVFWFLSA-N 0 1 382.395 3.991 20 5 GHBDMN O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3cc(-c4ccc(Cl)cc4)no3)C2)nc1 ZINC000112655624 842358673 /nfs/dbraw/zinc/35/86/73/842358673.db2.gz VAJXCSZZTMCDGK-HNNXBMFYSA-N 0 1 399.838 3.985 20 5 GHBDMN Cc1nc2ccc(C(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)n[nH]3)cc2s1 ZINC000432503772 842722101 /nfs/dbraw/zinc/72/21/01/842722101.db2.gz GBQBRDALXLIBCV-UHFFFAOYSA-N 0 1 380.389 3.550 20 5 GHBDMN Cc1ccc(F)c(NS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])c1 ZINC000121576797 843458718 /nfs/dbraw/zinc/45/87/18/843458718.db2.gz KGXVGNLNVGWZEB-UHFFFAOYSA-N 0 1 389.202 3.606 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(Cl)c1-n1cccn1 ZINC000603980280 861499613 /nfs/dbraw/zinc/49/96/13/861499613.db2.gz HPKLZJHSVKHVCJ-UHFFFAOYSA-N 0 1 392.824 3.543 20 5 GHBDMN COc1cc(CNc2ccc(C(=O)N3CCCC[C@H]3C)cc2)cc([N+](=O)[O-])c1O ZINC000512628175 844832234 /nfs/dbraw/zinc/83/22/34/844832234.db2.gz LBQHWFKPBAMWEM-CQSZACIVSA-N 0 1 399.447 3.936 20 5 GHBDMN CCCCOc1ccccc1NS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000603987031 861510277 /nfs/dbraw/zinc/51/02/77/861510277.db2.gz IKWRRDJTONAOOM-UHFFFAOYSA-N 0 1 380.422 3.583 20 5 GHBDMN COc1ccccc1[C@@H](CNC(=O)c1ccc(C)c([N+](=O)[O-])c1)N1CCCCC1 ZINC000603993840 861565456 /nfs/dbraw/zinc/56/54/56/861565456.db2.gz ATOVDFVSONXMBB-HXUWFJFHSA-N 0 1 397.475 3.869 20 5 GHBDMN CCOc1ccccc1N1CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000604012791 861573726 /nfs/dbraw/zinc/57/37/26/861573726.db2.gz ZHWDCMKEDBBNMY-UHFFFAOYSA-N 0 1 385.464 3.585 20 5 GHBDMN CC[C@@H](NCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000182604647 845496650 /nfs/dbraw/zinc/49/66/50/845496650.db2.gz VOEUNTCSAQZHOQ-OAHLLOKOSA-N 0 1 377.828 3.936 20 5 GHBDMN CC[C@H]1C[C@@]1(NCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1cccc(C)c1 ZINC000502532797 846192584 /nfs/dbraw/zinc/19/25/84/846192584.db2.gz WVRHLYIECBCGAV-BTYIYWSLSA-N 0 1 383.448 3.765 20 5 GHBDMN O=[N+]([O-])c1ccc(OCCN2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)cc1 ZINC000503182118 846887170 /nfs/dbraw/zinc/88/71/70/846887170.db2.gz LRKHDRVNWBOXIZ-SFHVURJKSA-N 0 1 379.420 3.596 20 5 GHBDMN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)Nc1ccc(N2CCN(C)CC2)cc1C ZINC000127616316 847149805 /nfs/dbraw/zinc/14/98/05/847149805.db2.gz SMBXSJRFHYPXMI-UHFFFAOYSA-N 0 1 397.479 3.916 20 5 GHBDMN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(-c3cnc(C4CC4)o3)cc2)c1 ZINC000501996744 847377942 /nfs/dbraw/zinc/37/79/42/847377942.db2.gz YAMVNQFTANLRQV-UHFFFAOYSA-N 0 1 385.401 3.928 20 5 GHBDMN C[C@H]1C[C@]1(NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccc(Cl)cc1 ZINC000503379461 847654715 /nfs/dbraw/zinc/65/47/15/847654715.db2.gz RAUTXFWUAGUWRJ-RNODOKPDSA-N 0 1 385.851 3.662 20 5 GHBDMN COc1ccc(NC(=O)CN[C@H](C)c2oc3ccccc3c2C)c([N+](=O)[O-])c1 ZINC000183537623 847855624 /nfs/dbraw/zinc/85/56/24/847855624.db2.gz UYDVFJLZWQTUGP-CYBMUJFWSA-N 0 1 383.404 3.947 20 5 GHBDMN CCO[C@@H]1C[C@H](N(C)C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C12CCCCC2 ZINC000303857095 861875414 /nfs/dbraw/zinc/87/54/14/861875414.db2.gz FUFMTHIOVJEGQT-DLBZAZTESA-N 0 1 386.452 3.671 20 5 GHBDMN CCCCN(C)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000731784932 861893046 /nfs/dbraw/zinc/89/30/46/861893046.db2.gz NYNFQPNAPSGZJZ-UHFFFAOYSA-N 0 1 393.465 3.641 20 5 GHBDMN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000604181536 861902833 /nfs/dbraw/zinc/90/28/33/861902833.db2.gz MYQDYKBSPAGFED-ACJLOTCBSA-N 0 1 391.468 3.634 20 5 GHBDMN COc1ccccc1[C@H](C)NC(=O)[C@@H](C)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178680364 848476685 /nfs/dbraw/zinc/47/66/85/848476685.db2.gz MLCBZDSFGYRKFW-OWCLPIDISA-N 0 1 385.464 3.828 20 5 GHBDMN CSc1ccc(C(=O)NC[C@H](c2cccs2)N2CCCC2)cc1[N+](=O)[O-] ZINC000029693075 862038585 /nfs/dbraw/zinc/03/85/85/862038585.db2.gz NNLFFFBBJSZQDE-OAHLLOKOSA-N 0 1 391.518 3.945 20 5 GHBDMN COc1ccc(NC(=O)[C@H](C)N2CC[C@@H](c3ccccc3)[C@H]2C)c([N+](=O)[O-])c1 ZINC000434907508 849892035 /nfs/dbraw/zinc/89/20/35/849892035.db2.gz XONCQNJWPMPQPQ-RVKKMQEKSA-N 0 1 383.448 3.808 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2ncn(CN3CC[C@@H](c4ccc(Cl)cc4)C3)n2)c1 ZINC000732186550 862129033 /nfs/dbraw/zinc/12/90/33/862129033.db2.gz JQTDNRMODHMZLF-MRXNPFEDSA-N 0 1 383.839 3.954 20 5 GHBDMN CCOc1ccc([C@H](C)N[C@@H](CC(=O)N(C)C)c2ccccc2)cc1[N+](=O)[O-] ZINC000504912437 850443244 /nfs/dbraw/zinc/44/32/44/850443244.db2.gz WFBVWDSVBDUGAG-YJBOKZPZSA-N 0 1 385.464 3.864 20 5 GHBDMN C[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCc2ccccc2C1 ZINC000504916085 850447994 /nfs/dbraw/zinc/44/79/94/850447994.db2.gz YKJLHNQSGRKDNI-ZDUSSCGKSA-N 0 1 388.855 3.817 20 5 GHBDMN COc1cc(CN2CC[C@](O)(C3CC3)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000426525081 850567451 /nfs/dbraw/zinc/56/74/51/850567451.db2.gz RGOJSKBSEPIBIM-JOCHJYFZSA-N 0 1 398.459 3.529 20 5 GHBDMN O=C(C[C@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1)NCc1ccc(F)cc1 ZINC000515299239 850887766 /nfs/dbraw/zinc/88/77/66/850887766.db2.gz AVFWOKSBPKRILX-QGZVFWFLSA-N 0 1 385.439 3.652 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N2CCCCC[C@@H]2CC(=O)c2ccco2)c1[N+](=O)[O-] ZINC000434253574 850930481 /nfs/dbraw/zinc/93/04/81/850930481.db2.gz LFQBBAHSPGOOHW-CYBMUJFWSA-N 0 1 388.424 3.692 20 5 GHBDMN Cc1nc(-c2ccc(CNC(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)s2)cs1 ZINC000028064456 851016701 /nfs/dbraw/zinc/01/67/01/851016701.db2.gz DYXKZXPEPXODOZ-UHFFFAOYSA-N 0 1 399.457 3.895 20 5 GHBDMN CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000028063356 851017214 /nfs/dbraw/zinc/01/72/14/851017214.db2.gz HRAYEYFXKSMGDW-UHFFFAOYSA-N 0 1 378.310 3.762 20 5 GHBDMN CCOc1ccc([C@H]2CCCN2C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)cc1 ZINC000028065138 851017318 /nfs/dbraw/zinc/01/73/18/851017318.db2.gz PKQKBONYIUVJPG-GOSISDBHSA-N 0 1 380.404 3.847 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)c1[N+](=O)[O-] ZINC000434358355 851029943 /nfs/dbraw/zinc/02/99/43/851029943.db2.gz PNFQZUBBQGMUDH-UHFFFAOYSA-N 0 1 392.828 3.866 20 5 GHBDMN O=C(NCCN1CCCCCC1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436104822 851203919 /nfs/dbraw/zinc/20/39/19/851203919.db2.gz CNAVZTWYEAFXPS-UHFFFAOYSA-N 0 1 399.441 3.565 20 5 GHBDMN Cc1c(NC(=O)[C@H](C)N2CC3(CCC3)[C@@H]2C2CCOCC2)cccc1[N+](=O)[O-] ZINC000425546325 851612707 /nfs/dbraw/zinc/61/27/07/851612707.db2.gz DPXMMRLLYPVBQT-KXBFYZLASA-N 0 1 387.480 3.511 20 5 GHBDMN O=C(Nc1nc2ccc(F)cc2[nH]1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000488899572 851853983 /nfs/dbraw/zinc/85/39/83/851853983.db2.gz HSQXBOYOWXGVEU-UHFFFAOYSA-N 0 1 383.364 3.986 20 5 GHBDMN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1n[nH]c([C@@H](C)CC)n1 ZINC000489242268 852158364 /nfs/dbraw/zinc/15/83/64/852158364.db2.gz ZTUWFICIPZVPKH-QWRGUYRKSA-N 0 1 377.470 3.829 20 5 GHBDMN COc1cc(CN[C@H](c2ccc3c(c2)OCCO3)C2CC2)c([N+](=O)[O-])cc1F ZINC000184317414 852178911 /nfs/dbraw/zinc/17/89/11/852178911.db2.gz YHALIENEYSKDHP-FQEVSTJZSA-N 0 1 388.395 3.755 20 5 GHBDMN NC(=O)c1ccc(CN2CC[C@@H](Sc3cccc(Cl)c3)C2)c([N+](=O)[O-])c1 ZINC000429176217 862343578 /nfs/dbraw/zinc/34/35/78/862343578.db2.gz WSQZZEGGXPWDJP-MRXNPFEDSA-N 0 1 391.880 3.714 20 5 GHBDMN C[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccc(OCC(F)(F)F)cc1 ZINC000505930897 852627632 /nfs/dbraw/zinc/62/76/32/852627632.db2.gz UFKFODRNZVWJLI-SNVBAGLBSA-N 0 1 384.310 3.733 20 5 GHBDMN COc1ccc(OCCN2CC=C(c3c[nH]c4ncccc34)CC2)c([N+](=O)[O-])c1 ZINC000438651796 852683354 /nfs/dbraw/zinc/68/33/54/852683354.db2.gz NLFODDSJBGPVGT-UHFFFAOYSA-N 0 1 394.431 3.648 20 5 GHBDMN Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccccc1-c1nc(-c2ccccc2)n[nH]1 ZINC000518299157 853175877 /nfs/dbraw/zinc/17/58/77/853175877.db2.gz ORDGCEKCTNCLFI-UHFFFAOYSA-N 0 1 388.387 3.638 20 5 GHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N(Cc1ccccc1)CC1CCOCC1 ZINC000518409185 853311425 /nfs/dbraw/zinc/31/14/25/853311425.db2.gz KOBQQKKMQIHYGP-UHFFFAOYSA-N 0 1 394.431 3.540 20 5 GHBDMN Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@@H]2NCc2ccccc2[N+](=O)[O-])cc1 ZINC000185934996 862475239 /nfs/dbraw/zinc/47/52/39/862475239.db2.gz BZFATKKBJLNYPM-ICSRJNTNSA-N 0 1 388.489 3.778 20 5 GHBDMN Cc1cccc(N2CCN(Cc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000506146676 853581735 /nfs/dbraw/zinc/58/17/35/853581735.db2.gz DXEHLUQCKZVULH-UHFFFAOYSA-N 0 1 391.475 3.626 20 5 GHBDMN COc1ccc(OCCN2CCC(Oc3ccc(C)cc3)CC2)c([N+](=O)[O-])c1 ZINC000441394893 854178230 /nfs/dbraw/zinc/17/82/30/854178230.db2.gz LERVPCMGIVEQDA-UHFFFAOYSA-N 0 1 386.448 3.834 20 5 GHBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN2C[C@H](C)C[C@H]2c2cccc(OC)c2)c1 ZINC000589510603 854972245 /nfs/dbraw/zinc/97/22/45/854972245.db2.gz NKAPOURDHNONMM-VLIAUNLRSA-N 0 1 384.432 3.973 20 5 GHBDMN CC[C@](C)(O)CN(Cc1ccccc1)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589513558 854973259 /nfs/dbraw/zinc/97/32/59/854973259.db2.gz FSUMEXITMYYYRG-NRFANRHFSA-N 0 1 386.448 3.545 20 5 GHBDMN O=C(NC[C@@H](c1cccs1)N1CCCC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000027604268 855245547 /nfs/dbraw/zinc/24/55/47/855245547.db2.gz WVNLXYJLLRVCPN-HNNXBMFYSA-N 0 1 379.869 3.877 20 5 GHBDMN CN(CCCN(C)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)Cc1ccco1 ZINC000553739851 855382190 /nfs/dbraw/zinc/38/21/90/855382190.db2.gz ASNFXOPKIMJOOS-UHFFFAOYSA-N 0 1 391.443 3.585 20 5 GHBDMN Cc1ccc(CS(=O)(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)cc1C ZINC000573040982 855701227 /nfs/dbraw/zinc/70/12/27/855701227.db2.gz YNXAXOGLIDUPGD-UHFFFAOYSA-N 0 1 386.433 3.544 20 5 GHBDMN O=C(CN1CCC[C@@H]1C1CC1)Nc1cc(N2CCC[C@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000591013122 855721182 /nfs/dbraw/zinc/72/11/82/855721182.db2.gz WKTZOJGRAOUNPH-UXHICEINSA-N 0 1 398.507 3.787 20 5 GHBDMN O=C(CCN[C@H]1CCc2cc(F)c(F)c(F)c21)Nc1ccccc1[N+](=O)[O-] ZINC000591769974 856291401 /nfs/dbraw/zinc/29/14/01/856291401.db2.gz ZLBWACPOGSEWDW-ZDUSSCGKSA-N 0 1 379.338 3.618 20 5 GHBDMN Cc1cccc(C(=O)NC[C@H](c2cccc(C(F)(F)F)c2)N(C)C)c1[N+](=O)[O-] ZINC000184835148 856453712 /nfs/dbraw/zinc/45/37/12/856453712.db2.gz RIKSWYNIMFOBKH-MRXNPFEDSA-N 0 1 395.381 3.955 20 5 GHBDMN CC[C@H](Nc1cccc(CN2CCC[C@H]2C(N)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000245738385 857155108 /nfs/dbraw/zinc/15/51/08/857155108.db2.gz LHQMGGKVOOXZFT-PMACEKPBSA-N 0 1 382.464 3.608 20 5 GHBDMN Cc1ccc(NC(=O)[C@H](c2ccccc2)N(C)C[C@@H]2CCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000246173953 857264710 /nfs/dbraw/zinc/26/47/10/857264710.db2.gz CVEPUGPGCIVWEJ-WMQCIHAUSA-N 0 1 397.475 3.676 20 5 GHBDMN CN1CC[C@H](Nc2ccc3cc([N+](=O)[O-])ccc3n2)[C@H]1c1ccc(F)c(F)c1 ZINC000485977129 857287794 /nfs/dbraw/zinc/28/77/94/857287794.db2.gz KBZVTLKJFMYNHH-AZUAARDMSA-N 0 1 384.386 3.700 20 5 GHBDMN Cc1cc(C)cc(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1 ZINC000521760278 857378725 /nfs/dbraw/zinc/37/87/25/857378725.db2.gz JZHNOAOMJPKHLS-UHFFFAOYSA-N 0 1 385.239 3.775 20 5 GHBDMN Cc1ccc2nc(CNC(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])[nH]c2c1 ZINC000174889092 857402873 /nfs/dbraw/zinc/40/28/73/857402873.db2.gz GUGDSAPQFGVTLZ-UHFFFAOYSA-N 0 1 388.811 3.518 20 5 GHBDMN O=C(C1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1)N1CCc2ccccc21 ZINC000255083736 857457765 /nfs/dbraw/zinc/45/77/65/857457765.db2.gz KGOMFAPGELWPDD-YVMONPNESA-N 0 1 391.471 3.909 20 5 GHBDMN Cc1nn(C)c(NC[C@@H]2CCCCN2Cc2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000521012445 857498744 /nfs/dbraw/zinc/49/87/44/857498744.db2.gz IEYJYMRMCBGESP-INIZCTEOSA-N 0 1 377.876 3.757 20 5 GHBDMN COc1cccc([C@@H](CNC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)N(C)C)c1 ZINC000058853706 857674605 /nfs/dbraw/zinc/67/46/05/857674605.db2.gz PUCFBHXEAITNPI-QGZVFWFLSA-N 0 1 392.843 3.681 20 5 GHBDMN CN(Cc1ccccc1)C1CN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000553170902 858084811 /nfs/dbraw/zinc/08/48/11/858084811.db2.gz FNNTYZXAMLGGSJ-UHFFFAOYSA-N 0 1 393.365 3.570 20 5 GHBDMN CNc1ccc(C(=O)N2CCC[C@@H]2c2nc3ccc(C)cc3[nH]2)cc1[N+](=O)[O-] ZINC000142319704 858130943 /nfs/dbraw/zinc/13/09/43/858130943.db2.gz NUDPVUFIGBQAHK-QGZVFWFLSA-N 0 1 379.420 3.799 20 5 GHBDMN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)Nc2ccc3ccoc3c2)c1 ZINC000442853545 858193266 /nfs/dbraw/zinc/19/32/66/858193266.db2.gz UNTOCFPFHIKRHA-UHFFFAOYSA-N 0 1 397.206 3.904 20 5 GHBDMN COc1c2ccccc2oc1CN[C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000474046687 858697453 /nfs/dbraw/zinc/69/74/53/858697453.db2.gz UMZBDYMEEKXIBX-ZDUSSCGKSA-N 0 1 383.404 3.857 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N(C)C[C@H]1CCc2ccccc21 ZINC000595877888 858724848 /nfs/dbraw/zinc/72/48/48/858724848.db2.gz LFYALFJTDCOFIB-GOEBONIOSA-N 0 1 383.448 3.592 20 5 GHBDMN COc1cc(CN2CCC[C@@H](CSC)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000429283010 858924590 /nfs/dbraw/zinc/92/45/90/858924590.db2.gz HRLBCXFHHIZROB-LLVKDONJSA-N 0 1 376.425 3.780 20 5 GHBDMN Cc1ccc([C@H](C)N[C@H](Cc2ccccc2)C(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000131028953 859060283 /nfs/dbraw/zinc/06/02/83/859060283.db2.gz SAVCNABRNAFWIK-FXAWDEMLSA-N 0 1 381.476 3.788 20 5 GHBDMN Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1Br ZINC000522363162 859212055 /nfs/dbraw/zinc/21/20/55/859212055.db2.gz WGBQYUVEIWQSGV-UHFFFAOYSA-N 0 1 385.239 3.775 20 5 GHBDMN Cn1c(C(=O)Nc2ccc3nc(Cc4ccccc4F)[nH]c3c2)ccc1[N+](=O)[O-] ZINC000483384167 859314341 /nfs/dbraw/zinc/31/43/41/859314341.db2.gz VHVJLBJVIDVCJI-UHFFFAOYSA-N 0 1 393.378 3.792 20 5 GHBDMN CCc1ccc([C@@H](NCC2(O)Cc3ccccc3C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543403988 859588154 /nfs/dbraw/zinc/58/81/54/859588154.db2.gz DSCPGNOZHJHTGS-QFIPXVFZSA-N 0 1 392.455 3.959 20 5 GHBDMN CCN(C[C@@H]1CCOC1)[C@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000611205199 859650269 /nfs/dbraw/zinc/65/02/69/859650269.db2.gz NBKJVDMSYSJURN-UWJYYQICSA-N 0 1 397.475 3.941 20 5 GHBDMN COc1ccc(C[C@H](C)N2CC[C@H](Oc3cc(F)ccc3F)C2)c([N+](=O)[O-])c1 ZINC001170345063 881447415 /nfs/dbraw/zinc/44/74/15/881447415.db2.gz GYHQXPSAQHXUIF-GUYCJALGSA-N 0 1 392.402 3.966 20 5 GHBDMN O=[N+]([O-])c1ccc2oc(CN3CCC[C@@H]3Cn3cnc4ccccc43)nc2c1 ZINC000611281859 859680683 /nfs/dbraw/zinc/68/06/83/859680683.db2.gz IPOOGDWFGWPKKX-OAHLLOKOSA-N 0 1 377.404 3.750 20 5 GHBDMN C[C@@H](OC(=O)c1ccc([N+](=O)[O-])[nH]1)c1nc2cc(C(F)(F)F)ccc2n1C ZINC000764929408 859685353 /nfs/dbraw/zinc/68/53/53/859685353.db2.gz WAHNHZWGUVJMBJ-MRVPVSSYSA-N 0 1 382.298 3.746 20 5 GHBDMN O=[N+]([O-])c1ccc(NS(=O)(=O)c2cccc3c2CCCC3)c2cccnc21 ZINC000764956600 859698351 /nfs/dbraw/zinc/69/83/51/859698351.db2.gz WYSMXPHTBMBOAO-UHFFFAOYSA-N 0 1 383.429 3.823 20 5 GHBDMN Cc1nn(CN2CC[C@@H](COCc3ccccc3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000765035283 859742127 /nfs/dbraw/zinc/74/21/27/859742127.db2.gz FJCPGCISRXUUFW-GOSISDBHSA-N 0 1 380.448 3.749 20 5 GHBDMN Cc1nn(CN2CCC3(CC2)OCc2ccccc23)c2ccc([N+](=O)[O-])cc12 ZINC000765076967 859764376 /nfs/dbraw/zinc/76/43/76/859764376.db2.gz FHFRALWMFUEPNV-UHFFFAOYSA-N 0 1 378.432 3.732 20 5 GHBDMN CC(C)[C@](C)(NCc1c([N+](=O)[O-])ncn1C)c1ccc(Br)cc1 ZINC000484343438 859963130 /nfs/dbraw/zinc/96/31/30/859963130.db2.gz SHUXRWCUYNYQFJ-INIZCTEOSA-N 0 1 381.274 3.752 20 5 GHBDMN CCC[C@@H](N[C@@H](C)c1cccc(S(=O)(=O)NC)c1)c1cccc([N+](=O)[O-])c1 ZINC000161452236 859977453 /nfs/dbraw/zinc/97/74/53/859977453.db2.gz UXVWACATJUCNQD-IFXJQAMLSA-N 0 1 391.493 3.695 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2nc(-c3ccc4[nH]cnc4c3)no2)c(Br)c1 ZINC000555122482 860053175 /nfs/dbraw/zinc/05/31/75/860053175.db2.gz SMLCEZCWDRFQQJ-UHFFFAOYSA-N 0 1 386.165 3.951 20 5 GHBDMN CO[C@@H]1C[C@@H](N[C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1(C)C ZINC001170384414 881498556 /nfs/dbraw/zinc/49/85/56/881498556.db2.gz BILPHKVXVDUYPJ-AQNXPRMDSA-N 0 1 397.475 3.986 20 5 GHBDMN Cc1ccc(CNC(=O)C2CCN(C/C=C/c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000092667991 860098965 /nfs/dbraw/zinc/09/89/65/860098965.db2.gz MEFXRWFCCJVXON-GQCTYLIASA-N 0 1 393.487 3.945 20 5 GHBDMN COC(=O)c1cc(C(C)C)ccc1NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000060839447 860174838 /nfs/dbraw/zinc/17/48/38/860174838.db2.gz VRSLLJKTAJLSTD-UHFFFAOYSA-N 0 1 392.433 3.614 20 5 GHBDMN CC[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(OC)cc1 ZINC000124145582 860247064 /nfs/dbraw/zinc/24/70/64/860247064.db2.gz SARTYNVEGXUCRF-MRXNPFEDSA-N 0 1 377.828 3.936 20 5 GHBDMN Cc1ccc(CN(C)[C@@H](CO)c2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000093815511 860355144 /nfs/dbraw/zinc/35/51/44/860355144.db2.gz XOZAFUZRUHRVAZ-KRWDZBQOSA-N 0 1 379.254 3.831 20 5 GHBDMN Cc1[nH]nc(C(=O)N(Cc2ccccc2Br)CC(C)C)c1[N+](=O)[O-] ZINC000484851128 860405769 /nfs/dbraw/zinc/40/57/69/860405769.db2.gz PAXGEZMEEJBRKX-UHFFFAOYSA-N 0 1 395.257 3.687 20 5 GHBDMN CCN(C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000555315204 860446387 /nfs/dbraw/zinc/44/63/87/860446387.db2.gz WLFXCCQRUYOHEP-LAUBAEHRSA-N 0 1 381.476 3.821 20 5 GHBDMN C[C@H]1[C@H](C)N(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)CCN1C ZINC000542664526 860459728 /nfs/dbraw/zinc/45/97/28/860459728.db2.gz ZPRHNAWLKBWGMJ-GJZGRUSLSA-N 0 1 384.436 3.943 20 5 GHBDMN Cc1cc(N2CCC(CC(=O)N3CCCC3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302197911 860908733 /nfs/dbraw/zinc/90/87/33/860908733.db2.gz TZXWXZSOHYIOLF-UHFFFAOYSA-N 0 1 382.464 3.680 20 5 GHBDMN Cc1cc2[nH]ncc2cc1NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000481310955 861012141 /nfs/dbraw/zinc/01/21/41/861012141.db2.gz RNJHFJWECZRXPO-UHFFFAOYSA-N 0 1 375.182 3.794 20 5 GHBDMN Cc1cc2[nH]ncc2cc1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000481342373 861121371 /nfs/dbraw/zinc/12/13/71/861121371.db2.gz UOFJRJDHEGSYPS-UHFFFAOYSA-N 0 1 389.209 3.723 20 5 GHBDMN C[N@H+](CCOc1ccc(C(F)(F)F)cc1)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593742377 861158162 /nfs/dbraw/zinc/15/81/62/861158162.db2.gz ZMBPJPALRFQVTN-UHFFFAOYSA-N 0 1 398.337 3.823 20 5 GHBDMN C[N@@H+](CCOc1ccc(C(F)(F)F)cc1)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593742377 861158175 /nfs/dbraw/zinc/15/81/75/861158175.db2.gz ZMBPJPALRFQVTN-UHFFFAOYSA-N 0 1 398.337 3.823 20 5 GHBDMN C[C@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1cccc(O)c1 ZINC000160126084 863330041 /nfs/dbraw/zinc/33/00/41/863330041.db2.gz KINSIUFHVCMQAW-QMMMGPOBSA-N 0 1 391.232 3.647 20 5 GHBDMN CCc1[nH]nc(C(=O)N2CCC[C@@H]2c2nc3ccccc3n2C(C)C)c1[N+](=O)[O-] ZINC000444285579 863819035 /nfs/dbraw/zinc/81/90/35/863819035.db2.gz HESKGBLYBOAJJF-MRXNPFEDSA-N 0 1 396.451 3.788 20 5 GHBDMN CCc1[nH]nc(C(=O)N(Cc2csc(Br)c2)C2CC2)c1[N+](=O)[O-] ZINC000192820213 864005793 /nfs/dbraw/zinc/00/57/93/864005793.db2.gz IVCLUVCZLKZYKC-UHFFFAOYSA-N 0 1 399.270 3.509 20 5 GHBDMN COC(=O)COc1ccc(CN2CCC[C@@H]2/C=C\c2ccccc2)cc1[N+](=O)[O-] ZINC000475103995 864203881 /nfs/dbraw/zinc/20/38/81/864203881.db2.gz OFINWXFQRCXKQV-ZMOVQZPESA-N 0 1 396.443 3.824 20 5 GHBDMN O=[N+]([O-])c1ccc(CNC2(c3ccc4c(c3)OCCO4)CCCC2)c([N+](=O)[O-])c1 ZINC000792871824 881744826 /nfs/dbraw/zinc/74/48/26/881744826.db2.gz MTVYKSRCGQQGPB-UHFFFAOYSA-N 0 1 399.403 3.833 20 5 GHBDMN C[C@H](N[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1nccn1-c1ccccc1 ZINC000554374567 864232975 /nfs/dbraw/zinc/23/29/75/864232975.db2.gz YUEDISHQHYQFCB-CGTJXYLNSA-N 0 1 380.452 3.812 20 5 GHBDMN C[C@@H](C(=O)N[C@H]1CCCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000184920009 865043317 /nfs/dbraw/zinc/04/33/17/865043317.db2.gz XFPYXHDDRGMLKV-WBVHZDCISA-N 0 1 385.439 3.618 20 5 GHBDMN COc1ccccc1CC1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000608833334 865736435 /nfs/dbraw/zinc/73/64/35/865736435.db2.gz MFSBCBWTWAVNMZ-UHFFFAOYSA-N 0 1 398.459 3.925 20 5 GHBDMN O=[N+]([O-])c1ccc2[nH]c(N3CCCN(Cc4ccc(Cl)s4)CC3)nc2c1 ZINC000481181577 865940076 /nfs/dbraw/zinc/94/00/76/865940076.db2.gz ZPKIDFPTOMDDFB-UHFFFAOYSA-N 0 1 391.884 3.898 20 5 GHBDMN CCOC(=O)c1ccnc(N[C@@H](C)c2nc3ccc(Cl)cc3[nH]2)c1[N+](=O)[O-] ZINC000737410169 866150772 /nfs/dbraw/zinc/15/07/72/866150772.db2.gz BOIQROUAHULHAG-VIFPVBQESA-N 0 1 389.799 3.869 20 5 GHBDMN C[C@@H](N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000478975564 866945231 /nfs/dbraw/zinc/94/52/31/866945231.db2.gz JRDXXBRSHCFDDM-DIFFPNOSSA-N 0 1 377.803 3.843 20 5 GHBDMN COc1cccc(Cl)c1CN[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000479297567 867535306 /nfs/dbraw/zinc/53/53/06/867535306.db2.gz SCJJIELXCOIWHE-GFCCVEGCSA-N 0 1 377.828 3.764 20 5 GHBDMN Cc1cccc(S(=O)(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c1Br ZINC000534941817 867802069 /nfs/dbraw/zinc/80/20/69/867802069.db2.gz IPAOGBCZVKCTSK-UHFFFAOYSA-N 0 1 385.239 3.775 20 5 GHBDMN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000524542776 869230764 /nfs/dbraw/zinc/23/07/64/869230764.db2.gz INCJMEIYURVGQF-AQFXKWCLSA-N 0 1 391.537 3.798 20 5 GHBDMN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)Nc1ccccc1CN1CCSCC1 ZINC000747137128 882358587 /nfs/dbraw/zinc/35/85/87/882358587.db2.gz GCMRPRFGFSUFQG-YFHOEESVSA-N 0 1 383.473 3.796 20 5 GHBDMN Cc1cc(C)cc(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])c1 ZINC001192884409 870743898 /nfs/dbraw/zinc/74/38/98/870743898.db2.gz JXEZKLFUIWPTTN-UHFFFAOYSA-N 0 1 389.260 3.997 20 5 GHBDMN Cc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)c1C ZINC000447001868 870851479 /nfs/dbraw/zinc/85/14/79/870851479.db2.gz WTIYCOVHGSNQTF-UHFFFAOYSA-N 0 1 385.239 3.775 20 5 GHBDMN CC[C@@H](C)[C@@H](NS(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000525697876 871227657 /nfs/dbraw/zinc/22/76/57/871227657.db2.gz GADYZJJDVPNKJP-IAQYHMDHSA-N 0 1 383.857 3.709 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H]1CCN(CCCc2ccccc2)C1=O ZINC000539123443 871354785 /nfs/dbraw/zinc/35/47/85/871354785.db2.gz MGFDYFBFSWAJKI-UTKZUKDTSA-N 0 1 381.476 3.788 20 5 GHBDMN CC1(C)CC[C@H]2C[C@H](NS(=O)(=O)c3cccnc3[N+](=O)[O-])c3cccc1c32 ZINC000540653366 871849194 /nfs/dbraw/zinc/84/91/94/871849194.db2.gz FFTFMCDUBXSTLR-WFASDCNBSA-N 0 1 387.461 3.568 20 5 GHBDMN Cn1ccnc1[C@@H](NCCc1c[nH]c2ccc(F)cc12)c1ccc([N+](=O)[O-])cc1 ZINC000552049372 871935896 /nfs/dbraw/zinc/93/58/96/871935896.db2.gz UUCRHLACEFBEQW-FQEVSTJZSA-N 0 1 393.422 3.870 20 5 GHBDMN CN(C)[C@H]1CCOc2c(NC(=O)c3c(Cl)cccc3[N+](=O)[O-])cccc21 ZINC000447723968 872211709 /nfs/dbraw/zinc/21/17/09/872211709.db2.gz SIAFXIORKWINMP-AWEZNQCLSA-N 0 1 375.812 3.886 20 5 GHBDMN O=C(CNC1(c2cccc(Cl)c2)CCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001195451585 872396886 /nfs/dbraw/zinc/39/68/86/872396886.db2.gz HGBJSQTWKBBSCA-UHFFFAOYSA-N 0 1 385.851 3.806 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)ccc1OCCc1nc(-c2ccn3cncc3c2)no1 ZINC000447957448 872610324 /nfs/dbraw/zinc/61/03/24/872610324.db2.gz ZYOOGSJZEWINDF-UHFFFAOYSA-N 0 1 385.767 3.567 20 5 GHBDMN O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000463898279 872816842 /nfs/dbraw/zinc/81/68/42/872816842.db2.gz URAHTEHDCRWRTQ-UHFFFAOYSA-N 0 1 383.795 3.578 20 5 GHBDMN CCN(C(=O)c1ccc([N+](=O)[O-])c([O-])c1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000475655744 874308353 /nfs/dbraw/zinc/30/83/53/874308353.db2.gz KURJNAJXSODOID-CRAIPNDOSA-N 0 1 383.448 3.598 20 5 GHBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000921295487 882818442 /nfs/dbraw/zinc/81/84/42/882818442.db2.gz OQKNNZATSQOVGB-UHFFFAOYSA-N 0 1 385.785 3.520 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(Cc1ccccc1F)C1CC1 ZINC000026260854 874404118 /nfs/dbraw/zinc/40/41/18/874404118.db2.gz JUUICXQXMDIWRH-UHFFFAOYSA-N 0 1 387.411 3.736 20 5 GHBDMN C[C@@H](N[C@@H](C)c1ccc(-n2cccn2)c(F)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000549886382 875783100 /nfs/dbraw/zinc/78/31/00/875783100.db2.gz MJWUSCWIEKMSGV-UONOGXRCSA-N 0 1 397.410 3.597 20 5 GHBDMN O=[N+]([O-])c1ccc([C@@H](O)CSc2nc(-c3ccc(Cl)cc3)n[nH]2)cc1 ZINC000776270666 876108722 /nfs/dbraw/zinc/10/87/22/876108722.db2.gz FRPLLWYVIGJJCK-AWEZNQCLSA-N 0 1 376.825 3.859 20 5 GHBDMN COc1ccc(NC(=O)[C@H](C)N[C@H](C)c2cc(C)ccc2OC)c([N+](=O)[O-])c1 ZINC000152030438 876547136 /nfs/dbraw/zinc/54/71/36/876547136.db2.gz SVBMDABOVZEWIC-KGLIPLIRSA-N 0 1 387.436 3.598 20 5 GHBDMN CNC(=O)[C@H](C)NCc1ccc(Oc2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])c1 ZINC000492414978 876766767 /nfs/dbraw/zinc/76/67/67/876766767.db2.gz DGDWCYLAIDJKTQ-AWEZNQCLSA-N 0 1 385.464 3.909 20 5 GHBDMN CCc1[nH]n(Cc2ccccc2C)c(=O)c1CCNc1nc(C)ccc1[N+](=O)[O-] ZINC000450714790 876807891 /nfs/dbraw/zinc/80/78/91/876807891.db2.gz ICWOZSRPHKMUMH-QGZVFWFLSA-N 0 1 395.463 3.833 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@H](C)c1ccc(N2CCNC2=O)cc1 ZINC000850475676 876953221 /nfs/dbraw/zinc/95/32/21/876953221.db2.gz BJLVFNHZHYPEEF-ZIAGYGMSSA-N 0 1 384.436 3.545 20 5 GHBDMN O=[N+]([O-])c1cccc([C@H](NCC[S@@](=O)CC(F)(F)F)c2ccccc2)c1 ZINC000850496860 876972574 /nfs/dbraw/zinc/97/25/74/876972574.db2.gz QPSIGMOLTUJFPL-AKJBCIBTSA-N 0 1 386.395 3.585 20 5 GHBDMN O=[N+]([O-])c1cccc([C@@H](NCC[S@](=O)CC(F)(F)F)c2ccccc2)c1 ZINC000850496862 876973010 /nfs/dbraw/zinc/97/30/10/876973010.db2.gz QPSIGMOLTUJFPL-QMTYFTJSSA-N 0 1 386.395 3.585 20 5 GHBDMN COCc1ccc([C@@H]2CCCN2C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)o1 ZINC000450942577 877103659 /nfs/dbraw/zinc/10/36/59/877103659.db2.gz VDAOUJVMFSORAH-SFHVURJKSA-N 0 1 396.403 3.702 20 5 GHBDMN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCN1Cc1ccccc1 ZINC000610046435 877328296 /nfs/dbraw/zinc/32/82/96/877328296.db2.gz KACLQQRGWQEKHZ-OAQYLSRUSA-N 0 1 381.476 3.698 20 5 GHBDMN O=C(CNC1(c2ccc(Br)cc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000477455041 877658220 /nfs/dbraw/zinc/65/82/20/877658220.db2.gz AXMQRAFHGUWMBN-UHFFFAOYSA-N 0 1 390.237 3.575 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCc2nc(C3CCCCC3)[nH]c2C1 ZINC000788248870 877951743 /nfs/dbraw/zinc/95/17/43/877951743.db2.gz YMVYUMFZBZEWAD-HNNXBMFYSA-N 0 1 382.464 3.961 20 5 GHBDMN CC(C)(C)OC(=O)N1C[C@@H]2CCN(Cc3ccc(F)cc3[N+](=O)[O-])CC[C@@H]2C1 ZINC000852088709 878070193 /nfs/dbraw/zinc/07/01/93/878070193.db2.gz MWYJFTDPYYZKOQ-GASCZTMLSA-N 0 1 393.459 3.813 20 5 GHBDMN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1 ZINC000068199596 878075760 /nfs/dbraw/zinc/07/57/60/878075760.db2.gz HGJRYMMZOVGUMZ-SFHVURJKSA-N 0 1 395.419 3.641 20 5 GHBDMN Cc1noc(CN2CC3(C[C@H]2C)CCN(C(=O)OC(C)(C)C)CC3)c1[N+](=O)[O-] ZINC000852191836 878129773 /nfs/dbraw/zinc/12/97/73/878129773.db2.gz LALKQUDZSBVSRZ-CYBMUJFWSA-N 0 1 394.472 3.503 20 5 GHBDMN COc1cccc(F)c1[C@H](C)NCCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000179927769 878244216 /nfs/dbraw/zinc/24/42/16/878244216.db2.gz RYKLCZFSVOYWPQ-ZDUSSCGKSA-N 0 1 375.400 3.730 20 5 GHBDMN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)c1C ZINC000180161095 878621779 /nfs/dbraw/zinc/62/17/79/878621779.db2.gz DDNRAAGBZQHBMX-UHFFFAOYSA-N 0 1 379.394 3.537 20 5 GHBDMN C[C@@H](OC(=O)c1[nH]nc2c1CCCCC2)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000789175448 878698644 /nfs/dbraw/zinc/69/86/44/878698644.db2.gz AADPENMZIKYFIU-LLVKDONJSA-N 0 1 397.391 3.555 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@H](C)c1c(F)cccc1F ZINC000538127915 878901717 /nfs/dbraw/zinc/90/17/17/878901717.db2.gz AGPDCMONAHFBAT-NSHDSACASA-N 0 1 379.363 3.561 20 5 GHBDMN COc1ccc([C@H](C)N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000538130456 878910455 /nfs/dbraw/zinc/91/04/55/878910455.db2.gz XSQIMXYVYFTBRR-NWDGAFQWSA-N 0 1 377.828 3.935 20 5 GHBDMN O=[N+]([O-])c1ccc(N2CCC(CCCN3CCOCC3)CC2)c(OC(F)F)c1 ZINC000760578978 879525235 /nfs/dbraw/zinc/52/52/35/879525235.db2.gz BNGHUGZBHDSZTH-UHFFFAOYSA-N 0 1 399.438 3.525 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)Nc1cccc(CN2CCC[C@@H]2C(N)=O)c1 ZINC000538552268 879701680 /nfs/dbraw/zinc/70/16/80/879701680.db2.gz UKNVQHPQQJMUTD-MGPUTAFESA-N 0 1 382.464 3.526 20 5 GHBDMN CC(C)(C)OC(=O)Nc1cccc(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1 ZINC000855199009 880347492 /nfs/dbraw/zinc/34/74/92/880347492.db2.gz OZBWHKZFAFTMAB-UHFFFAOYSA-N 0 1 387.392 3.577 20 5 GHBDMN CCn1cc([C@@H](O)CN(Cc2ccccc2)Cc2ccc(C)c([N+](=O)[O-])c2)cn1 ZINC000792187495 880976125 /nfs/dbraw/zinc/97/61/25/880976125.db2.gz HTOVQPQYOBFTBD-QFIPXVFZSA-N 0 1 394.475 3.855 20 5 GHBDMN CCCc1[nH]nc(C(=O)N(C)C[C@@H]2CCCO[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000609476878 883239067 /nfs/dbraw/zinc/23/90/67/883239067.db2.gz SFPFAWJZKVRHES-HNAYVOBHSA-N 0 1 386.452 3.510 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2nc(CNC[C@H]3COc4ccccc4O3)cs2)c1 ZINC000609598494 883432059 /nfs/dbraw/zinc/43/20/59/883432059.db2.gz SBUDNJUOOLRRBH-INIZCTEOSA-N 0 1 383.429 3.648 20 5 GHBDMN Cc1cc(S(=O)(=O)Nc2cc(Cl)ccc2-n2cccn2)ccc1[N+](=O)[O-] ZINC000609661465 883500981 /nfs/dbraw/zinc/50/09/81/883500981.db2.gz NZRRABDXUAFNAE-UHFFFAOYSA-N 0 1 392.824 3.543 20 5 GHBDMN O=C(Nc1cc(Cl)c(O)cc1F)c1cc([N+](=O)[O-])ncc1Br ZINC000805260760 883723998 /nfs/dbraw/zinc/72/39/98/883723998.db2.gz MFWVPODPOAEVKD-UHFFFAOYSA-N 0 1 390.552 3.503 20 5 GHBDMN Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCC[C@@H]2C[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000152564624 884007559 /nfs/dbraw/zinc/00/75/59/884007559.db2.gz XRIZGXAWMGTIAQ-BLIXFSHQSA-N 0 1 397.475 3.818 20 5 GHBDMN O=C(NCc1ccc(-n2cnc3ccccc32)cc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000476158604 884166280 /nfs/dbraw/zinc/16/62/80/884166280.db2.gz RWVMGEQGYZJJMH-UHFFFAOYSA-N 0 1 388.383 3.569 20 5 GHBDMN CC(C)(CNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000914570989 884205575 /nfs/dbraw/zinc/20/55/75/884205575.db2.gz BTNRKEPJQSFNKY-CSKARUKUSA-N 0 1 395.459 3.941 20 5 GHBDMN Cc1cc(C[C@H](C)NC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])n[nH]1 ZINC000194772258 884534421 /nfs/dbraw/zinc/53/44/21/884534421.db2.gz NLNFKSZEKHLFLT-AWEZNQCLSA-N 0 1 394.431 3.566 20 5 GHBDMN CN(C)[C@@H]1CCOc2c(NC(=O)c3cccc([N+](=O)[O-])c3Cl)cccc21 ZINC000861405537 885471810 /nfs/dbraw/zinc/47/18/10/885471810.db2.gz PPKDUDPQTGEIIR-CQSZACIVSA-N 0 1 375.812 3.886 20 5 GHBDMN CC[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)s1 ZINC000542555312 885481245 /nfs/dbraw/zinc/48/12/45/885481245.db2.gz DCPFXLMQBCFFKM-ZDUSSCGKSA-N 0 1 388.898 3.824 20 5 GHBDMN CCOc1ccc2c(c1)c(=N)c1ccc(N)cc1n2C(=O)[C@@H]1CCCC[C@@H]1CO ZINC001184162817 913057349 /nfs/dbraw/zinc/05/73/49/913057349.db2.gz JTZWPZVXEHXAKG-RHSMWYFYSA-N 0 1 393.487 3.694 20 5 GHBDMN O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000536508426 886593436 /nfs/dbraw/zinc/59/34/36/886593436.db2.gz KJSSBOJLYBDIQF-KRWDZBQOSA-N 0 1 382.420 3.626 20 5 GHBDMN CC(C)n1cc([C@H](C)N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000542572194 886945463 /nfs/dbraw/zinc/94/54/63/886945463.db2.gz BIJPNMNFKGSKHY-NWDGAFQWSA-N 0 1 379.848 3.703 20 5 GHBDMN CCCOc1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2OC)cc1C ZINC000863427832 887100297 /nfs/dbraw/zinc/10/02/97/887100297.db2.gz IBUKMEZDUVDJIQ-UHFFFAOYSA-N 0 1 380.422 3.501 20 5 GHBDMN C[C@@H](NCc1c(F)cc([N+](=O)[O-])cc1F)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000795987993 913136522 /nfs/dbraw/zinc/13/65/22/913136522.db2.gz FUSZHEGUZDZZPQ-OLZOCXBDSA-N 0 1 399.438 3.998 20 5 GHBDMN CCN(C(=O)c1cccc([N+](=O)[O-])c1[O-])[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000163412653 887701861 /nfs/dbraw/zinc/70/18/61/887701861.db2.gz FFJJQSFJQOPHEG-DOTOQJQBSA-N 0 1 383.448 3.598 20 5 GHBDMN Cc1nn(-c2ccccc2C)c(C)c1CN(C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000153764881 887797890 /nfs/dbraw/zinc/79/78/90/887797890.db2.gz UNBKIVNQXDRVIN-QFIPXVFZSA-N 0 1 394.475 3.871 20 5 GHBDMN COc1ccc(CN[C@@H](C)c2ccnn2C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000865839585 888604108 /nfs/dbraw/zinc/60/41/08/888604108.db2.gz OFHLBIYSSRZJHU-HNNXBMFYSA-N 0 1 396.447 3.767 20 5 GHBDMN O=C(CN1CC[C@H](c2ccc(Cl)cc2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000532980320 889450029 /nfs/dbraw/zinc/45/00/29/889450029.db2.gz JIXRWEKVODQUCL-INIZCTEOSA-N 0 1 385.851 3.627 20 5 GHBDMN COc1ccc(CC(=O)Nc2nc3ccc(C(F)(F)F)cc3[nH]2)cc1[N+](=O)[O-] ZINC000533048269 889617845 /nfs/dbraw/zinc/61/78/45/889617845.db2.gz SRZIGWLTGZYTGZ-UHFFFAOYSA-N 0 1 394.309 3.680 20 5 GHBDMN Cc1cc(S(=O)(=O)Nc2cnc(C(F)(F)F)cc2C)cc([N+](=O)[O-])c1F ZINC000811711513 889888278 /nfs/dbraw/zinc/88/82/78/889888278.db2.gz IKRBQGFOMNMWHN-UHFFFAOYSA-N 0 1 393.318 3.565 20 5 GHBDMN CCN(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@@H](C)Cc1ccc(OC)cc1 ZINC000533281899 890176290 /nfs/dbraw/zinc/17/62/90/890176290.db2.gz XMNLFDSYRBGEIM-INIZCTEOSA-N 0 1 385.464 3.803 20 5 GHBDMN O=[N+]([O-])c1cccc([C@H](O)CN2CCC([C@H](O)c3ccc(Cl)cc3)CC2)c1 ZINC000154199312 890272522 /nfs/dbraw/zinc/27/25/22/890272522.db2.gz VNWGUIYQLCSNHT-WOJBJXKFSA-N 0 1 390.867 3.727 20 5 GHBDMN C[C@@H]1C[C@H](C)C[N@H+](CCCCNc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000917075402 890972847 /nfs/dbraw/zinc/97/28/47/890972847.db2.gz MHFMWRAZPBRJBF-HMDCADFTSA-N 0 1 375.469 3.863 20 5 GHBDMN COCCOc1ccc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2SC)cn1 ZINC000872025477 891122911 /nfs/dbraw/zinc/12/29/11/891122911.db2.gz NKQLCEMTAGWEOK-ZDUSSCGKSA-N 0 1 377.466 3.588 20 5 GHBDMN CSc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000872074394 891141831 /nfs/dbraw/zinc/14/18/31/891141831.db2.gz DMUVPURDSFIOSL-QWHCGFSZSA-N 0 1 392.502 3.538 20 5 GHBDMN C[C@H](CN[C@@H](C)c1c(F)cccc1[N+](=O)[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000872091433 891150751 /nfs/dbraw/zinc/15/07/51/891150751.db2.gz HNUGFMQOTIMBIM-OLZOCXBDSA-N 0 1 380.441 3.592 20 5 GHBDMN CCN(CC)[C@@H](CNC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl)c1ccco1 ZINC000825595908 891235715 /nfs/dbraw/zinc/23/57/15/891235715.db2.gz UWIXMORCBUJJBQ-INIZCTEOSA-N 0 1 379.844 3.963 20 5 GHBDMN CN(C)[C@@H](CNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1ccsc1 ZINC000813406438 891584529 /nfs/dbraw/zinc/58/45/29/891584529.db2.gz LIWYKRGKLCLSII-ZDUSSCGKSA-N 0 1 388.276 3.996 20 5 GHBDMN CC(C)(C)OC(=O)N1CC[C@@H]2CN(C/C=C\c3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000814175944 892332530 /nfs/dbraw/zinc/33/25/30/892332530.db2.gz KTNKAUIIYCVUEY-BHEAHUASSA-N 0 1 387.480 3.939 20 5 GHBDMN CN1CCN(c2ccc([N+](=O)[O-])c(NC(=O)C/C=C/c3ccc(F)cc3)c2)CC1 ZINC001134197041 892459555 /nfs/dbraw/zinc/45/95/55/892459555.db2.gz AZTOPODUNXRXEK-NSCUHMNNSA-N 0 1 398.438 3.528 20 5 GHBDMN CN1CCN(c2ccc([N+](=O)[O-])c(NC(=O)c3ccc4c(c3)CCC=C4)c2)CC1 ZINC001134201027 892467700 /nfs/dbraw/zinc/46/77/00/892467700.db2.gz ZFYVHXCJEBWAEL-UHFFFAOYSA-N 0 1 392.459 3.558 20 5 GHBDMN CN1CCN(c2ccc([N+](=O)[O-])c(NC(=O)[C@H]3[C@@H]4CCCCCC[C@@H]43)c2)CC1 ZINC001134416050 892828160 /nfs/dbraw/zinc/82/81/60/892828160.db2.gz NOOZQYFBATUQIA-YRWFTTLQSA-N 0 1 386.496 3.502 20 5 GHBDMN CCCc1[nH]nc(C(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)c1[N+](=O)[O-] ZINC000069216621 893206966 /nfs/dbraw/zinc/20/69/66/893206966.db2.gz HPWNKPKQLHNFSW-UHFFFAOYSA-N 0 1 379.420 3.681 20 5 GHBDMN Cc1ccn(-c2ccccc2NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n1 ZINC000126105529 893289350 /nfs/dbraw/zinc/28/93/50/893289350.db2.gz DPWDVVZHCFNAJF-UHFFFAOYSA-N 0 1 392.824 3.543 20 5 GHBDMN O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1N[C@H](CO)c1c(F)cccc1F ZINC000536867477 893966727 /nfs/dbraw/zinc/96/67/27/893966727.db2.gz BWWQONPWIXUMHK-MORSLUCNSA-N 0 1 376.403 3.907 20 5 GHBDMN 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IPCDDKXYBGDYIK-UHFFFAOYSA-N 0 1 381.367 3.951 20 5 GHBDMN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000565777392 895869715 /nfs/dbraw/zinc/86/97/15/895869715.db2.gz QHUPBNBRSPQXCE-CRAIPNDOSA-N 0 1 383.448 3.544 20 5 GHBDMN COc1ccc2c(c1)CCCN2C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001136024232 895923905 /nfs/dbraw/zinc/92/39/05/895923905.db2.gz BWVYIIFTRAOHDZ-UHFFFAOYSA-N 0 1 378.388 3.587 20 5 GHBDMN Nc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc2nc(CC3CCCCC3)[nH]c2c1 ZINC001137163470 896167346 /nfs/dbraw/zinc/16/73/46/896167346.db2.gz NKTRKOHAJXNURY-UHFFFAOYSA-N 0 1 394.435 3.823 20 5 GHBDMN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNc1ccc(N2CCCCCC2)cc1 ZINC000819394999 896618072 /nfs/dbraw/zinc/61/80/72/896618072.db2.gz HYFYWAYCBOUIOU-IBGZPJMESA-N 0 1 385.464 3.827 20 5 GHBDMN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000821390765 897859684 /nfs/dbraw/zinc/85/96/84/897859684.db2.gz DTYGUOZYVZSGPD-CQSZACIVSA-N 0 1 381.904 3.965 20 5 GHBDMN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000289500398 914214807 /nfs/dbraw/zinc/21/48/07/914214807.db2.gz KOFJXFUUIZNFNE-YOEHRIQHSA-N 0 1 399.278 3.872 20 5 GHBDMN CN(C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)C1CCN(CCC(F)(F)F)CC1 ZINC000822149997 898235253 /nfs/dbraw/zinc/23/52/53/898235253.db2.gz AMTGLMHHYBQWCJ-IAGOWNOFSA-N 0 1 399.413 3.574 20 5 GHBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]([C@H](C)C(=O)[O-])C2CCC2)cc1OC ZINC000569260235 898480500 /nfs/dbraw/zinc/48/05/00/898480500.db2.gz OFWNNLIKQVEVDS-UONOGXRCSA-N 0 1 394.468 3.856 20 5 GHBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@H]1C[C@H](c2ccccc2Cl)C1 ZINC000569628458 898836292 /nfs/dbraw/zinc/83/62/92/898836292.db2.gz CCNQBQLAZZCBBW-XYPYZODXSA-N 0 1 384.816 3.612 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N2C[C@@H](c3cccc(Cl)c3)OC[C@@H]2C)c1[N+](=O)[O-] ZINC000331670765 899072933 /nfs/dbraw/zinc/07/29/33/899072933.db2.gz YUFWDPXCZYJVMT-FZMZJTMJSA-N 0 1 392.843 3.697 20 5 GHBDMN COc1cc(CNC[C@H]2CC[C@H](C)O2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC001202690794 899324555 /nfs/dbraw/zinc/32/45/55/899324555.db2.gz DGHHPRFALXUBST-MAUKXSAKSA-N 0 1 386.448 3.840 20 5 GHBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](c2nncn2C(C)C)C1 ZINC000118859947 899486531 /nfs/dbraw/zinc/48/65/31/899486531.db2.gz WWSYESNFPZBCOJ-INIZCTEOSA-N 0 1 387.484 3.934 20 5 GHBDMN O=[N+]([O-])c1cc(CN2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)ccc1Br ZINC000824697068 899746943 /nfs/dbraw/zinc/74/69/43/899746943.db2.gz YJAWUYNJZYGFMK-YSVLISHTSA-N 0 1 383.286 3.873 20 5 GHBDMN O=[N+]([O-])c1cc(CN2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)ccc1Br ZINC000824697066 899747386 /nfs/dbraw/zinc/74/73/86/899747386.db2.gz YJAWUYNJZYGFMK-UNEWFSDZSA-N 0 1 383.286 3.873 20 5 GHBDMN CCC[C@H](C)NC(=O)[C@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000303190287 914391691 /nfs/dbraw/zinc/39/16/91/914391691.db2.gz FKGIKXROHCDCTK-IRXDYDNUSA-N 0 1 391.512 3.899 20 5 GHBDMN Cc1cc(Cl)c(C(=O)NC[C@H](c2ccc(F)cc2)N(C)C)cc1[N+](=O)[O-] ZINC000825504008 900202297 /nfs/dbraw/zinc/20/22/97/900202297.db2.gz LEQRGOMDYWQGQU-QGZVFWFLSA-N 0 1 379.819 3.728 20 5 GHBDMN COc1ccc(CSCC(=O)Nc2ccc3nc(C)[nH]c3c2)cc1[N+](=O)[O-] ZINC000046325813 900821647 /nfs/dbraw/zinc/82/16/47/900821647.db2.gz UMYYCWHFXXSCMF-UHFFFAOYSA-N 0 1 386.433 3.660 20 5 GHBDMN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1sc(Br)cc1[N+](=O)[O-] ZINC000772929103 902304567 /nfs/dbraw/zinc/30/45/67/902304567.db2.gz ONJYIWNJKIJPCE-UHFFFAOYSA-N 0 1 390.146 3.718 20 5 GHBDMN COc1ccc2c(c1)OC(C)(C)CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC001171267547 903454114 /nfs/dbraw/zinc/45/41/14/903454114.db2.gz RDLPXEDXDSJRGT-UHFFFAOYSA-N 0 1 399.447 3.605 20 5 GHBDMN O=C(c1ccc(O)c(Cl)c1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174808953 905356277 /nfs/dbraw/zinc/35/62/77/905356277.db2.gz MNSMBRCEFOHLOY-UHFFFAOYSA-N 0 1 376.796 3.637 20 5 GHBDMN O=[N+]([O-])c1ccc2c(c1)CC[C@H](N1CCN(c3ncccc3Cl)CC1)CC2 ZINC001172920123 905990377 /nfs/dbraw/zinc/99/03/77/905990377.db2.gz IONRGIGEICWYIE-QGZVFWFLSA-N 0 1 386.883 3.713 20 5 GHBDMN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCN(c2nc3ccccc3s2)CC1 ZINC001173224972 906307251 /nfs/dbraw/zinc/30/72/51/906307251.db2.gz AFBVBGUMZAJJFB-HNNXBMFYSA-N 0 1 382.489 3.958 20 5 GHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCCCC[C@H]1C[C@H](O)c1ccccc1 ZINC000773370125 906338278 /nfs/dbraw/zinc/33/82/78/906338278.db2.gz YRRYWOVFUKTZMH-PXNSSMCTSA-N 0 1 384.432 3.809 20 5 GHBDMN CN(C)S(=O)(=O)c1ccc(Nc2ccc3cc4ccc(N)cc4nc3c2)cc1 ZINC001174258663 906950764 /nfs/dbraw/zinc/95/07/64/906950764.db2.gz FNHQXTJRLMQUIC-UHFFFAOYSA-N 0 1 392.484 3.964 20 5 GHBDMN CCOc1ccc([C@@H](C)NCc2n[nH]c(COc3ccccc3)n2)cc1[N+](=O)[O-] ZINC000186430478 907924791 /nfs/dbraw/zinc/92/47/91/907924791.db2.gz BTVUTJFHQFKQFN-CQSZACIVSA-N 0 1 397.435 3.541 20 5 GHBDMN O=C(NCc1ccc(Br)cc1[N+](=O)[O-])c1ccc(Cl)c(O)c1 ZINC001176133919 907926163 /nfs/dbraw/zinc/92/61/63/907926163.db2.gz MPTFBBXEANAUND-UHFFFAOYSA-N 0 1 385.601 3.646 20 5 GHBDMN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](c2nc[nH]n2)C1 ZINC001176693242 908215455 /nfs/dbraw/zinc/21/54/55/908215455.db2.gz XHZDFDMTCJPNEX-ZDUSSCGKSA-N 0 1 389.481 3.625 20 5 GHBDMN COc1cc([C@H](C)NCc2ccc(C(N)=O)cc2[N+](=O)[O-])cc2ccccc21 ZINC001176792529 908252412 /nfs/dbraw/zinc/25/24/12/908252412.db2.gz BWQHESLUQYTJPV-ZDUSSCGKSA-N 0 1 379.416 3.706 20 5 GHBDMN O=[N+]([O-])c1ccc(CN2CCC[C@@H]2C[C@H](O)c2cccs2)c([N+](=O)[O-])c1 ZINC000194061561 908912778 /nfs/dbraw/zinc/91/27/78/908912778.db2.gz ISOHKOLTUPELIF-CJNGLKHVSA-N 0 1 377.422 3.653 20 5 GHBDMN Cc1cc(N2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000795305561 909798361 /nfs/dbraw/zinc/79/83/61/909798361.db2.gz DPXPHWSZCBLXKK-GASCZTMLSA-N 0 1 398.463 3.755 20 5 GHBDMN COc1ccc(CN[C@H](C)c2ccc(OCc3nccn3C)cc2)cc1[N+](=O)[O-] ZINC000268797759 910022344 /nfs/dbraw/zinc/02/23/44/910022344.db2.gz FDXLFXPPWUENEG-OAHLLOKOSA-N 0 1 396.447 3.767 20 5 GHBDMN CN(CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O)[C@@H]1CCC(C)(C)C1 ZINC000795454243 910391596 /nfs/dbraw/zinc/39/15/96/910391596.db2.gz CJMZLLWSCSRBSX-GFCCVEGCSA-N 0 1 396.285 3.781 20 5 GHBDMN COc1cccc(-c2nc(C)c(C(=O)N3CCc4cc(C)c([N+](=O)[O-])cc43)[nH]2)c1 ZINC000773995561 911243752 /nfs/dbraw/zinc/24/37/52/911243752.db2.gz GOKDJLLSLARLNL-UHFFFAOYSA-N 0 1 392.415 3.813 20 5 GHBDMN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])Nc1nc(-c2cccs2)n[nH]1 ZINC001182339677 911506859 /nfs/dbraw/zinc/50/68/59/911506859.db2.gz ZTTMLEIQWUCAQL-UHFFFAOYSA-N 0 1 377.813 3.666 20 5 GHBDMN Cc1ccc2c(=O)c3cccc(CC(=O)N[C@@]4(C)CCCN(C)C4)c3oc2c1C ZINC001182513350 911825283 /nfs/dbraw/zinc/82/52/83/911825283.db2.gz FDAGGMPPLXDWIO-DEOSSOPVSA-N 0 1 392.499 3.706 20 5 GHBDMN COc1ccc([C@@H](O)C2CCN(Cc3ccc(OC)c([N+](=O)[O-])c3)CC2)cc1 ZINC000291231767 915051869 /nfs/dbraw/zinc/05/18/69/915051869.db2.gz KJNDCMLATBMNBG-OAQYLSRUSA-N 0 1 386.448 3.558 20 5 GHBDMN C[C@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1OCCc2sccc21 ZINC000292457772 915693955 /nfs/dbraw/zinc/69/39/55/915693955.db2.gz QCDHDWJNKUCQQI-BTDLBPIBSA-N 0 1 395.868 3.540 20 5 GHBDMN COC[C@H](CC(C)(C)C)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC001191848520 918263025 /nfs/dbraw/zinc/26/30/25/918263025.db2.gz PUHMPLRJITYFFB-JTQLQIEISA-N 0 1 399.296 3.631 20 5 GHBDMN CC(C)(CCc1nc(-c2ccc3[nH]c(-c4cscn4)nc3c2)no1)[N+](=O)[O-] ZINC000296627971 918493259 /nfs/dbraw/zinc/49/32/59/918493259.db2.gz ZSQPYYAYDLBUHD-UHFFFAOYSA-N 0 1 384.421 3.724 20 5 GHBDMN O=[N+]([O-])c1ccc(CN2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)cc1F ZINC000801535536 921106051 /nfs/dbraw/zinc/10/60/51/921106051.db2.gz JWELASAQILDFBO-MRXNPFEDSA-N 0 1 381.411 3.899 20 5 GHBDMN COc1cc([C@H](C)N[C@@H](C)c2ccc(N3CCOC3=O)cc2)cc([N+](=O)[O-])c1 ZINC000903080585 922755740 /nfs/dbraw/zinc/75/57/40/922755740.db2.gz QKNKTKQFHNPAQQ-KBPBESRZSA-N 0 1 385.420 3.972 20 5 GHBDMN COc1ccc(CN(C)C[C@@H](O)c2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000726603182 926756844 /nfs/dbraw/zinc/75/68/44/926756844.db2.gz NQIZOBISAIONQT-MRXNPFEDSA-N 0 1 395.253 3.531 20 5 GHBDMN O=C(CNC/C=C/c1ccccc1[N+](=O)[O-])Nc1ccc(Br)cc1 ZINC000726607069 926761592 /nfs/dbraw/zinc/76/15/92/926761592.db2.gz OBXDGVVAGRTZDK-HWKANZROSA-N 0 1 390.237 3.599 20 5 GHBDMN Cc1nn(CN2CC[C@@H](CSc3ccccc3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000749958508 927369743 /nfs/dbraw/zinc/36/97/43/927369743.db2.gz DQKHJVWBCBLEBT-OAHLLOKOSA-N 0 1 383.477 3.720 20 5 GHBDMN Cc1nc(-c2ccccc2)[nH]c1C(=O)OCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000751647109 928299031 /nfs/dbraw/zinc/29/90/31/928299031.db2.gz QUSHTQGJIGMJRG-UHFFFAOYSA-N 0 1 378.344 3.792 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@]1(C)Cc1ccccc1 ZINC000467239536 928865590 /nfs/dbraw/zinc/86/55/90/928865590.db2.gz XARHFJLLZMZOPA-NRFANRHFSA-N 0 1 383.448 3.639 20 5 GHBDMN C/C(=C\C(=O)Nc1ccccc1CN1CCC(O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000752693320 928983510 /nfs/dbraw/zinc/98/35/10/928983510.db2.gz MHORFHJYPISGRS-JQIJEIRASA-N 0 1 395.459 3.594 20 5 GHBDMN C[C@H]1[C@H](c2ccccc2)CCN1CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000752793581 929024701 /nfs/dbraw/zinc/02/47/01/929024701.db2.gz OZABFDQGFDZWPH-FUHWJXTLSA-N 0 1 380.448 3.672 20 5 GHBDMN O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1cccc(-c2cn[nH]n2)c1 ZINC000544400972 929134213 /nfs/dbraw/zinc/13/42/13/929134213.db2.gz ROTOWLAFVWYSIS-UHFFFAOYSA-N 0 1 395.422 3.579 20 5 GHBDMN COC(=O)Nc1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)c1 ZINC000753066026 929188787 /nfs/dbraw/zinc/18/87/87/929188787.db2.gz NVHRDPFKKJQBEE-UHFFFAOYSA-N 0 1 399.812 3.536 20 5 GHBDMN C[C@H](C(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000544564868 929291999 /nfs/dbraw/zinc/29/19/99/929291999.db2.gz KTHPEVVVZNSDBD-SGTLLEGYSA-N 0 1 393.846 3.910 20 5 GHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCCc2c3cccc(F)c3[nH]c2C1 ZINC000467794488 929429752 /nfs/dbraw/zinc/42/97/52/929429752.db2.gz IQROPSVKMNPVJK-UHFFFAOYSA-N 0 1 393.378 3.680 20 5 GHBDMN CC[C@@H]1CN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CCN1Cc1ccccc1 ZINC000544760079 929546579 /nfs/dbraw/zinc/54/65/79/929546579.db2.gz LPEIPVGQKOBUOA-HXUWFJFHSA-N 0 1 397.475 3.558 20 5 GHBDMN C[C@@H](C(=O)Nc1cccc2c1OCC[C@@H]2N(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000469332739 929795288 /nfs/dbraw/zinc/79/52/88/929795288.db2.gz HMNRROSYAHRMQR-XIKOKIGWSA-N 0 1 387.411 3.861 20 5 GHBDMN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000782505017 931244834 /nfs/dbraw/zinc/24/48/34/931244834.db2.gz VSDCSGHJIVWGPB-QWHCGFSZSA-N 0 1 383.876 3.983 20 5 GHBDMN Cc1ccc(C2CCN(Cn3cc(-c4cccc([N+](=O)[O-])c4)cn3)CC2)cn1 ZINC000782940064 931369269 /nfs/dbraw/zinc/36/92/69/931369269.db2.gz BKRABYHQTSIHNU-UHFFFAOYSA-N 0 1 377.448 3.999 20 5 GHBDMN O=[N+]([O-])c1cccc(Br)c1CN1CC[C@@H](Cc2ccncc2)C1 ZINC000783598092 931592122 /nfs/dbraw/zinc/59/21/22/931592122.db2.gz QSORUXVVKOXSGD-AWEZNQCLSA-N 0 1 376.254 3.817 20 5 GHBDMN COc1ccc2c(c1)CCC[C@@H]2N(C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000558060436 931820683 /nfs/dbraw/zinc/82/06/83/931820683.db2.gz NMYXBLJOROJNIO-FQEVSTJZSA-N 0 1 395.459 3.502 20 5 GHBDMN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(Cc3cc(F)ccc3[N+](=O)[O-])C[C@@H]21 ZINC000784531218 931926964 /nfs/dbraw/zinc/92/69/64/931926964.db2.gz ZZOHOUXSAQGWAD-RRQGHBQHSA-N 0 1 393.459 3.859 20 5 GHBDMN C[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccc(Br)cc1F ZINC000558582754 932086727 /nfs/dbraw/zinc/08/67/27/932086727.db2.gz CKZYDTCSNNKGCP-MRVPVSSYSA-N 0 1 383.173 3.693 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000797518377 932317526 /nfs/dbraw/zinc/31/75/26/932317526.db2.gz DPJOPVUJXZSZNL-GJZGRUSLSA-N 0 1 393.484 3.729 20 5 GHBDMN O=C(CN1CCCC[C@@H]1[C@H]1CCCC[C@H]1O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000798193679 932559149 /nfs/dbraw/zinc/55/91/49/932559149.db2.gz MDNLXZLCKFILEB-QGPMSJSTSA-N 0 1 395.887 3.592 20 5 GHBDMN COc1cc(CN2CC[C@H](c3ccccn3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000798965407 932843418 /nfs/dbraw/zinc/84/34/18/932843418.db2.gz RRZAYODAMYEZAF-ZDUSSCGKSA-N 0 1 393.390 3.632 20 5 GHBDMN Cn1ccnc1[C@@H](NCC1(C)Cc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000560545957 933331783 /nfs/dbraw/zinc/33/17/83/933331783.db2.gz OOYWDNQSSQURGU-FQEVSTJZSA-N 0 1 376.460 3.812 20 5 GHBDMN COc1cc(CN(C)[C@@H]2CC[C@H](SC)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC001116505026 933598465 /nfs/dbraw/zinc/59/84/65/933598465.db2.gz AOLDYROMTMKDSN-OLZOCXBDSA-N 0 1 390.452 3.963 20 5 GHBDMN CC[C@H](N[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001116542024 933622487 /nfs/dbraw/zinc/62/24/87/933622487.db2.gz PHMHZFNIHRZRGS-WBMJQRKESA-N 0 1 375.400 3.810 20 5 GHBDMN CN(Cc1ccccc1)C1CN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000561315366 934046144 /nfs/dbraw/zinc/04/61/44/934046144.db2.gz RUTZUCXYOOUELJ-UHFFFAOYSA-N 0 1 393.365 3.570 20 5 GHBDMN Cc1nc(NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])ccc1-c1ccccc1 ZINC000561411419 934138206 /nfs/dbraw/zinc/13/82/06/934138206.db2.gz MGJKQKVZFKMFFK-UHFFFAOYSA-N 0 1 383.429 3.907 20 5 GHBDMN O=[N+]([O-])c1cccc(CN(Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)c1 ZINC000828807018 935716237 /nfs/dbraw/zinc/71/62/37/935716237.db2.gz HVSBUBQPWHYYAT-UAPYVXQJSA-N 0 1 385.420 3.809 20 5 GHBDMN Cc1csc([C@H](C)NS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)n1 ZINC000830367432 935936371 /nfs/dbraw/zinc/93/63/71/935936371.db2.gz ZPXVDBAHGIEKHD-ZETCQYMHSA-N 0 1 396.277 3.706 20 5 GHBDMN C[C@](CO)([NH2+]Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC001592750380 979310714 /nfs/dbraw/zinc/31/07/14/979310714.db2.gz LIFXLHYEJFBPAR-QGZVFWFLSA-N 0 1 399.230 3.597 20 5 GHBDMN C[C@](CO)([NH2+]Cc1ccc(-c2ccc(C(=O)[O-])cc2)o1)c1cccc([N+](=O)[O-])c1 ZINC001592750965 979317955 /nfs/dbraw/zinc/31/79/55/979317955.db2.gz QROYVAWDUXDLLN-OAQYLSRUSA-N 0 1 396.399 3.550 20 5 GHBDMN O=C([O-])[C@@H]1CC[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])[C@H]2CCCC[C@H]12 ZINC000903907347 981032106 /nfs/dbraw/zinc/03/21/06/981032106.db2.gz VNXITIUIHZYJAO-JMSVASOKSA-N 0 1 397.269 3.823 20 5 GHBDMN C[C@H](NC(=O)c1ccc(-c2ccc(C=O)o2)cc1O)c1cccc([N+](=O)[O-])c1 ZINC001626139542 1015032892 /nfs/dbraw/zinc/03/28/92/1015032892.db2.gz REHLXORVIOHDNB-LBPRGKRZSA-N 0 1 380.356 3.864 20 5 GHBDMN CN1Cc2ccccc2[C@H](Nc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C1 ZINC000545196362 1015643247 /nfs/dbraw/zinc/64/32/47/1015643247.db2.gz BDWUZFYQOFRFTE-LJQANCHMSA-N 0 1 390.443 3.589 20 5 GHBDMN C[C@]([NH2+]Cc1c(F)cccc1Br)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593286506 994646243 /nfs/dbraw/zinc/64/62/43/994646243.db2.gz UUJOUNCVNZSRIA-MRXNPFEDSA-N 0 1 397.200 3.586 20 5 GHBDMN O=[N+]([O-])c1ccccc1NCCc1noc(-c2cc(-c3ccccc3)n[nH]2)n1 ZINC000545676699 1016222246 /nfs/dbraw/zinc/22/22/46/1016222246.db2.gz XVSCBSXTQKRYTR-UHFFFAOYSA-N 0 1 376.376 3.690 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)cc(-c2nc(Cc3nnc(-c4ccccc4)[nH]3)no2)c1 ZINC000546505637 1016652773 /nfs/dbraw/zinc/65/27/73/1016652773.db2.gz XSZRBISRBGGJNV-UHFFFAOYSA-N 0 1 382.767 3.674 20 5 GHBDMN O=c1nc2ccc([N+](=O)[O-])cc2c(O[C@H](c2ccccc2)C2CCOCC2)[nH]1 ZINC001227097249 1032269509 /nfs/dbraw/zinc/26/95/09/1032269509.db2.gz YLHALUXHCRPVEW-GOSISDBHSA-N 0 1 381.388 3.790 20 5 GHBDMN COC(=O)C1CC(Oc2ccc3c(c2)oc2c3c(=O)oc3cc(O)ccc23)C1 ZINC001227516787 1032448720 /nfs/dbraw/zinc/44/87/20/1032448720.db2.gz BOGFBNXGSNZFFU-UHFFFAOYSA-N 0 1 380.352 3.728 20 5 GHBDMN O=c1oc2cc([O-])ccc2c2oc3cc(O[C@H]4CCc5[nH+]ccn5C4)ccc3c21 ZINC001227516797 1032448840 /nfs/dbraw/zinc/44/88/40/1032448840.db2.gz FMBQGTUJBZRJDG-AWEZNQCLSA-N 0 1 388.379 3.988 20 5 GHBDMN CC(=O)N1CCC[C@H](Oc2ccc3c(c2)oc2c3c(=O)oc3cc(O)ccc23)C1 ZINC001227517343 1032449827 /nfs/dbraw/zinc/44/98/27/1032449827.db2.gz JDCSLUWRKFTOBE-HNNXBMFYSA-N 0 1 393.395 3.788 20 5 GHBDMN CN(C)[C@H]1CCOc2c(NC(=O)CCc3cc(F)ccc3[N+](=O)[O-])cccc21 ZINC000935717268 1019038536 /nfs/dbraw/zinc/03/85/36/1019038536.db2.gz HVXFEYCRAVTRMN-SFHVURJKSA-N 0 1 387.411 3.690 20 5 GHBDMN COc1cc(CNC[C@@H](Cc2ccccc2)C(F)(F)F)c([N+](=O)[O-])cc1O ZINC000574866586 1019915043 /nfs/dbraw/zinc/91/50/43/1019915043.db2.gz UIRXKAYDEIDNJG-CQSZACIVSA-N 0 1 384.354 3.820 20 5 GHBDMN COc1cc(CN(C2CC2)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000778951942 1020045283 /nfs/dbraw/zinc/04/52/83/1020045283.db2.gz PYBGFWLHKFZEPQ-MRXNPFEDSA-N 0 1 391.468 3.577 20 5 GHBDMN O=C(N[C@H]1CCOc2c(Cl)c(Cl)ccc21)c1cc(O)cc([N+](=O)[O-])c1 ZINC000754476439 1022728167 /nfs/dbraw/zinc/72/81/67/1022728167.db2.gz VQULRWPPLFHALT-ZDUSSCGKSA-N 0 1 383.187 3.861 20 5 GHBDMN C[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1csc2ccccc21 ZINC000754738365 1022870714 /nfs/dbraw/zinc/87/07/14/1022870714.db2.gz LQGCWHPLXYJFAN-ZDUSSCGKSA-N 0 1 390.486 3.934 20 5 GHBDMN Cc1cc([N+](=O)[O-])c(C(=O)NC[C@H](c2ccc(F)cc2)N(C)C)cc1Cl ZINC000836434096 1022967173 /nfs/dbraw/zinc/96/71/73/1022967173.db2.gz KDFZQDDKPGBJSE-QGZVFWFLSA-N 0 1 379.819 3.728 20 5 GHBDMN Cc1c(CNC(=O)[C@@H](C)N2CCC(Cc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC001138238748 1024442820 /nfs/dbraw/zinc/44/28/20/1024442820.db2.gz GKLJZLZIEWJSMW-GOSISDBHSA-N 0 1 395.503 3.863 20 5 GHBDMN O=C(CCCCC(=O)c1ccc(F)cc1)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837652770 1024611652 /nfs/dbraw/zinc/61/16/52/1024611652.db2.gz FPINOQVVHOEFMZ-UHFFFAOYSA-N 0 1 375.352 3.926 20 5 GHBDMN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)c1nc2ccc(OC)cc2[nH]1 ZINC001138594758 1025077675 /nfs/dbraw/zinc/07/76/75/1025077675.db2.gz AAEGUOKGJHCFFB-ZFWWWQNUSA-N 0 1 396.447 3.926 20 5 GHBDMN O=[N+]([O-])c1ccc([O-])cc1C[NH+]1CCC([C@@H](O)c2cc(F)ccc2F)CC1 ZINC000839158120 1025665071 /nfs/dbraw/zinc/66/50/71/1025665071.db2.gz VADIMTPWXSXPSJ-LJQANCHMSA-N 0 1 378.375 3.524 20 5 GHBDMN O=C(c1cccc([N+](=O)[O-])c1)N1CCc2nc[nH]c2[C@@H]1c1ccc(Cl)cc1 ZINC001162588863 1025810657 /nfs/dbraw/zinc/81/06/57/1025810657.db2.gz JNEHCRJOJRJILF-SFHVURJKSA-N 0 1 382.807 3.759 20 5 GHBDMN COc1cc(CN(C)C[C@@H](O)c2ccccc2Br)ccc1[N+](=O)[O-] ZINC000832680117 1025829917 /nfs/dbraw/zinc/82/99/17/1025829917.db2.gz NRXPMBAOJZMHPY-MRXNPFEDSA-N 0 1 395.253 3.531 20 5 GHBDMN CN(C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C1CCN(CCC(F)(F)F)CC1 ZINC000839440149 1025928744 /nfs/dbraw/zinc/92/87/44/1025928744.db2.gz OCXDAMKLMGUPET-UHFFFAOYSA-N 0 1 393.793 3.737 20 5 GHBDMN O=[N+]([O-])c1cnc2c(Cl)cccc2c1NCCc1cc(-c2ccncc2)[nH]n1 ZINC001163231348 1026098339 /nfs/dbraw/zinc/09/83/39/1026098339.db2.gz DUZDWARKOHRIOR-UHFFFAOYSA-N 0 1 394.822 3.658 20 5 GHBDMN Cc1c(Br)c(N[C@@H](CC(C)C)CN2CCCC2)ncc1[N+](=O)[O-] ZINC001163407992 1026183511 /nfs/dbraw/zinc/18/35/11/1026183511.db2.gz HOAVAXFRFPOASR-ZDUSSCGKSA-N 0 1 385.306 3.983 20 5 GHBDMN C[C@@H]1CN(c2nc(Cl)nc(Cl)c2[N+](=O)[O-])[C@@H](C)CN1Cc1ccccc1 ZINC001165202351 1026663579 /nfs/dbraw/zinc/66/35/79/1026663579.db2.gz UPMDRHKJEHDBPZ-NEPJUHHUSA-N 0 1 396.278 3.791 20 5 GHBDMN O=[N+]([O-])c1cnc(N2CC(c3ncn4cc(-c5ccoc5)ccc34)C2)c(F)c1 ZINC001166495767 1027015395 /nfs/dbraw/zinc/01/53/95/1027015395.db2.gz WKKBJEDXHOKKPI-UHFFFAOYSA-N 0 1 379.351 3.640 20 5 GHBDMN O=[N+]([O-])c1cc(Nc2cc(F)c(F)cc2I)ccc1O ZINC001210398575 1027490273 /nfs/dbraw/zinc/49/02/73/1027490273.db2.gz MSOXBLSQJAUNFX-UHFFFAOYSA-N 0 1 392.099 3.927 20 5 GHBDMN C[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccc2c(c1)CCCC2 ZINC001211456319 1027968977 /nfs/dbraw/zinc/96/89/77/1027968977.db2.gz WJSZCHGIWMPYDM-LBPRGKRZSA-N 0 1 378.425 3.652 20 5 GHBDMN C[C@@H](C[C@H](O)c1ccccc1)NCc1c(Br)cccc1[N+](=O)[O-] ZINC001461415922 1069539957 /nfs/dbraw/zinc/53/99/57/1069539957.db2.gz QNEDSEHIQIEQGS-SJCJKPOMSA-N 0 1 379.254 3.959 20 5 GHBDMN COc1cc([N+](=O)[O-])c(-c2nc(-c3cccc(OC(F)F)c3)no2)cc1O ZINC001216343420 1029609767 /nfs/dbraw/zinc/60/97/67/1029609767.db2.gz BJCKHVNKWIMAIS-UHFFFAOYSA-N 0 1 379.275 3.627 20 5 GHBDMN COc1cc(Br)ccc1-c1noc(-c2ccc(O)cc2[N+](=O)[O-])n1 ZINC001216890440 1029981665 /nfs/dbraw/zinc/98/16/65/1029981665.db2.gz DXZBIOXZQKHFQV-UHFFFAOYSA-N 0 1 392.165 3.789 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1-c1nc(-c2ncccc2/C=C/N2CCCC2)no1 ZINC001216891823 1029982998 /nfs/dbraw/zinc/98/29/98/1029982998.db2.gz GYPVSENXOQMAAM-XYOKQWHBSA-N 0 1 393.403 3.782 20 5 GHBDMN Cc1ccc(F)c(-c2noc(-c3cc([N+](=O)[O-])cc(N4CCN(C)CC4)c3)n2)c1 ZINC001217017736 1030094313 /nfs/dbraw/zinc/09/43/13/1030094313.db2.gz BIHCALDICQEQDD-UHFFFAOYSA-N 0 1 397.410 3.511 20 5 GHBDMN COC(=O)c1cc([N+](=O)[O-])ccc1CO[C@@H]1CCCN([C@H](C)c2ccccn2)C1 ZINC001223448013 1030578696 /nfs/dbraw/zinc/57/86/96/1030578696.db2.gz FBHJIQFCGCMZIS-CRAIPNDOSA-N 0 1 399.447 3.519 20 5 GHBDMN Cc1ccc(C(=O)c2cc([O-])c(O[C@@H]3CC[NH2+]C(C)(C)C3)c([N+](=O)[O-])c2)cc1 ZINC001218471329 1030950832 /nfs/dbraw/zinc/95/08/32/1030950832.db2.gz JRAWTLBQGOWIPC-MRXNPFEDSA-N 0 1 384.432 3.749 20 5 GHBDMN N[C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)Nc1cnc2c(c1)COCC2 ZINC001218500923 1030963977 /nfs/dbraw/zinc/96/39/77/1030963977.db2.gz GAYICWCHMSFQPB-QHCPKHFHSA-N 0 1 397.478 3.969 20 5 GHBDMN O=C(c1ccco1)C(Oc1ncc(Br)cc1[N+](=O)[O-])c1ccco1 ZINC001225747430 1031577602 /nfs/dbraw/zinc/57/76/02/1031577602.db2.gz LURNFCHZERUHBJ-CQSZACIVSA-N 0 1 393.149 3.941 20 5 GHBDMN CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC001153455811 1031599905 /nfs/dbraw/zinc/59/99/05/1031599905.db2.gz OMRJDGJKOZKIKN-SJLPKXTDSA-N 0 1 383.448 3.787 20 5 GHBDMN C[C@@H]1CCN(Cc2ccccc2)C[C@H]1Oc1c([N+](=O)[O-])cc(F)cc1[N+](=O)[O-] ZINC001225887141 1031674401 /nfs/dbraw/zinc/67/44/01/1031674401.db2.gz VAOPJTKXNJECEN-FZKQIMNGSA-N 0 1 389.383 3.932 20 5 GHBDMN N[C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)NC[C@H]1Cc2ccccc2O1 ZINC001219925418 1031700046 /nfs/dbraw/zinc/70/00/46/1031700046.db2.gz KBWHOMTUXYQYIO-YKSBVNFPSA-N 0 1 396.490 3.983 20 5 GHBDMN C[C@@H](NC(=O)[C@@H](N)Cc1c2ccccc2cc2ccccc21)c1ncc(F)cn1 ZINC001220599633 1032003534 /nfs/dbraw/zinc/00/35/34/1032003534.db2.gz ZDXPRCGIDCSGGG-SZNDQCEHSA-N 0 1 388.446 3.669 20 5 GHBDMN O=[N+]([O-])c1ccc2c(c1)ncnc2O[C@H]1CCN(Cc2ccccc2Cl)C1 ZINC001229401280 1033460090 /nfs/dbraw/zinc/46/00/90/1033460090.db2.gz DNSLZAVKUTXZBX-HNNXBMFYSA-N 0 1 384.823 3.845 20 5 GHBDMN COc1ccc(F)cc1-c1noc(-c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)n1 ZINC001213008288 1033572380 /nfs/dbraw/zinc/57/23/80/1033572380.db2.gz CZXALVULVFZNNC-UHFFFAOYSA-N 0 1 381.323 3.850 20 5 GHBDMN O=C1CCc2c1cccc2-c1noc(-c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)n1 ZINC001213008626 1033598538 /nfs/dbraw/zinc/59/85/38/1033598538.db2.gz UZUHVMPGSQUNBD-UHFFFAOYSA-N 0 1 387.355 3.831 20 5 GHBDMN C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1Oc1cc2[nH]ncc2cc1[N+](=O)[O-] ZINC001230595535 1034138448 /nfs/dbraw/zinc/13/84/48/1034138448.db2.gz KJOVFJLBFVEOCP-WBMJQRKESA-N 0 1 390.440 3.886 20 5 GHBDMN CCOC(=O)C(F)(F)[C@H](Oc1cc2[nH]ncc2cc1[N+](=O)[O-])c1ccccc1 ZINC001230600809 1034142315 /nfs/dbraw/zinc/14/23/15/1034142315.db2.gz IPZWFJPDFRHGOW-MRXNPFEDSA-N 0 1 391.330 3.790 20 5 GHBDMN Cc1c(CN[C@@H](C)C(=O)Nc2cccc(N3CCCC3)c2)cccc1[N+](=O)[O-] ZINC001207369292 1034310990 /nfs/dbraw/zinc/31/09/90/1034310990.db2.gz GQCSUIQEXGVLSE-INIZCTEOSA-N 0 1 382.464 3.620 20 5 GHBDMN COc1cccnc1O[C@H]1CCN(Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232227156 1035172448 /nfs/dbraw/zinc/17/24/48/1035172448.db2.gz HEGRLMDWOXXHGG-IBGZPJMESA-N 0 1 386.455 3.840 20 5 GHBDMN CC(C)(C)OC(=O)CCCNCc1cc(Br)c([N+](=O)[O-])s1 ZINC001462367999 1070205960 /nfs/dbraw/zinc/20/59/60/1070205960.db2.gz FJEPTWUSKCQFQK-UHFFFAOYSA-N 0 1 379.276 3.630 20 5 GHBDMN CN(C(=O)CN1C[C@H]2CCCC[C@@]21c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC001253404229 1039603779 /nfs/dbraw/zinc/60/37/79/1039603779.db2.gz RONQEIVWRKZPSZ-XMSQKQJNSA-N 0 1 379.460 3.959 20 5 GHBDMN COc1cc(CC[N+](=O)[O-])ccc1O[C@@H]1CCN(Cc2ccccc2Cl)C1 ZINC001233985531 1039744237 /nfs/dbraw/zinc/74/42/37/1039744237.db2.gz ZPHLATNBHFMXTM-QGZVFWFLSA-N 0 1 390.867 3.821 20 5 GHBDMN C[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccc(Cl)c(F)c1 ZINC001253913336 1039897965 /nfs/dbraw/zinc/89/79/65/1039897965.db2.gz QGULZGUAOPMCRI-QMMMGPOBSA-N 0 1 376.768 3.566 20 5 GHBDMN CCN1CC(Oc2cc(O)c(CC=C(C)C)c3oc4c(O)cccc4c(=O)c23)C1 ZINC001234740447 1040265222 /nfs/dbraw/zinc/26/52/22/1040265222.db2.gz LCEJXZHXHATUTI-UHFFFAOYSA-N 0 1 395.455 3.949 20 5 GHBDMN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCC(n2c3ccccc3n(C)c2=O)CC1 ZINC001254559653 1040332003 /nfs/dbraw/zinc/33/20/03/1040332003.db2.gz LONLIFQVHWFZMF-MRXNPFEDSA-N 0 1 394.475 3.516 20 5 GHBDMN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCC[C@H](NC(=O)OC(C)(C)C)[C@@H]1C ZINC001254569070 1040345046 /nfs/dbraw/zinc/34/50/46/1040345046.db2.gz HLJLZTZSHHKRML-VYDXJSESSA-N 0 1 377.485 3.903 20 5 GHBDMN O=C(CN[C@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccc(F)c(C(F)(F)F)c1 ZINC001254583619 1040358077 /nfs/dbraw/zinc/35/80/77/1040358077.db2.gz ZXHGUZJPEUDUMX-ZDUSSCGKSA-N 0 1 382.313 3.692 20 5 GHBDMN CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC2(C)CC2)C[C@@H]1C ZINC001296145108 1045262880 /nfs/dbraw/zinc/26/28/80/1045262880.db2.gz DAPSBHHHWIWUJV-INIZCTEOSA-N 0 1 398.511 3.574 20 5 GHBDMN C[C@@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001301883138 1046745100 /nfs/dbraw/zinc/74/51/00/1046745100.db2.gz UJWNJUXLLNVNRX-RHSMWYFYSA-N 0 1 387.867 3.889 20 5 GHBDMN CN(C)C[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001302115394 1046822405 /nfs/dbraw/zinc/82/24/05/1046822405.db2.gz QSYNDRGJHJTDDK-MRXNPFEDSA-N 0 1 395.381 3.575 20 5 GHBDMN Cc1[nH]nc(C(=O)Nc2nnc(-c3c(Cl)cccc3Cl)s2)c1[N+](=O)[O-] ZINC001302147349 1046841124 /nfs/dbraw/zinc/84/11/24/1046841124.db2.gz RIIOMDAENBIOQD-UHFFFAOYSA-N 0 1 399.219 3.704 20 5 GHBDMN O=[N+]([O-])c1ccc(NCCN2CCN(c3ccccc3)CC2)c(C(F)F)c1 ZINC001306927278 1048962877 /nfs/dbraw/zinc/96/28/77/1048962877.db2.gz CCVCVTPDFGFRIQ-UHFFFAOYSA-N 0 1 376.407 3.767 20 5 GHBDMN O=[N+]([O-])c1ccc(N[C@H]2CCCC[C@H]2N2CCOCC2)nc1-c1ccccc1 ZINC001306996053 1048997816 /nfs/dbraw/zinc/99/78/16/1048997816.db2.gz YBFJORQBILXIDD-ZWKOTPCHSA-N 0 1 382.464 3.712 20 5 GHBDMN CC(=O)NCc1ccc(CNCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC001308462211 1049981544 /nfs/dbraw/zinc/98/15/44/1049981544.db2.gz WAAPHJKDQZTDGD-UHFFFAOYSA-N 0 1 379.416 3.781 20 5 GHBDMN CC(C)(C)Oc1ccc(CCNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)cc1 ZINC001319507973 1055297819 /nfs/dbraw/zinc/29/78/19/1055297819.db2.gz WFENNAYLXAADDB-UHFFFAOYSA-N 0 1 382.420 3.621 20 5 GHBDMN CC(C)c1n[nH]c(NC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)n1 ZINC001321369265 1056236436 /nfs/dbraw/zinc/23/64/36/1056236436.db2.gz MUNULNFLLJVDEF-CHWSQXEVSA-N 0 1 386.456 3.571 20 5 GHBDMN CC(C)c1nc(NC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)n[nH]1 ZINC001321369265 1056236451 /nfs/dbraw/zinc/23/64/51/1056236451.db2.gz MUNULNFLLJVDEF-CHWSQXEVSA-N 0 1 386.456 3.571 20 5 GHBDMN CC(C)c1n[nH]c(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)n1 ZINC001322291060 1056611223 /nfs/dbraw/zinc/61/12/23/1056611223.db2.gz JIXQVHQMVYLTRU-UHFFFAOYSA-N 0 1 380.408 3.701 20 5 GHBDMN CC(C)c1nc(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)n[nH]1 ZINC001322291060 1056611226 /nfs/dbraw/zinc/61/12/26/1056611226.db2.gz JIXQVHQMVYLTRU-UHFFFAOYSA-N 0 1 380.408 3.701 20 5 GHBDMN C[C@@H](N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(Cl)c(F)c1 ZINC001323428349 1056969021 /nfs/dbraw/zinc/96/90/21/1056969021.db2.gz OAKWHRICPFVFPA-PIGZYNQJSA-N 0 1 377.803 3.843 20 5 GHBDMN O=C1[C@@H](NCc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C[C@H]2CCCCN12 ZINC001324551597 1057162861 /nfs/dbraw/zinc/16/28/61/1057162861.db2.gz VQYISYZDXMVQRN-CJNGLKHVSA-N 0 1 389.839 3.751 20 5 GHBDMN CCC1(CC)[C@H](OC)C[C@H]1N(C)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC001446528644 1059791494 /nfs/dbraw/zinc/79/14/94/1059791494.db2.gz ADUOHQPVTJVODI-QZTJIDSGSA-N 0 1 386.452 3.651 20 5 GHBDMN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H](c1nnc[nH]1)c1ccccc1 ZINC001451084047 1060735562 /nfs/dbraw/zinc/73/55/62/1060735562.db2.gz VQBTXROMSSELOJ-VQIMIIECSA-N 0 1 393.447 3.530 20 5 GHBDMN CN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C2(CCCCC2)C1 ZINC001435294725 1062472717 /nfs/dbraw/zinc/47/27/17/1062472717.db2.gz DEYCLFGOUFJHKJ-UHFFFAOYSA-N 0 1 385.386 3.704 20 5 GHBDMN O=C(Nc1ccc(F)c(-c2nc[nH]n2)c1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001436090029 1063175249 /nfs/dbraw/zinc/17/52/49/1063175249.db2.gz GNAFVQIPBAUFAX-UHFFFAOYSA-N 0 1 395.272 3.790 20 5 GHBDMN CC(C)(C)CCN1CCN(C(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)CC1 ZINC001464380274 1064980105 /nfs/dbraw/zinc/98/01/05/1064980105.db2.gz VMLJDAPYAMRVQY-UHFFFAOYSA-N 0 1 384.480 3.524 20 5 GHBDMN CC(C)(C)CCN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC001464384736 1064981320 /nfs/dbraw/zinc/98/13/20/1064981320.db2.gz SHPFXVYEVGYUTK-UHFFFAOYSA-N 0 1 387.402 3.808 20 5 GHBDMN C[C@@H]1CN(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)[C@H](C)CN1Cc1ccccc1 ZINC001466677430 1066251575 /nfs/dbraw/zinc/25/15/75/1066251575.db2.gz VPJTZGDIRGHLSY-HUUCEWRRSA-N 0 1 386.427 3.861 20 5 GHBDMN CCCCN(CCCC)C(=O)Nc1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC001467371197 1067256239 /nfs/dbraw/zinc/25/62/39/1067256239.db2.gz ZPEZPLYXGKYPSP-UHFFFAOYSA-N 0 1 391.516 3.781 20 5 GHBDMN O=C1[C@H](N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CCCN1c1ccccc1 ZINC001460126668 1068797147 /nfs/dbraw/zinc/79/71/47/1068797147.db2.gz DZIDJOXQYKQTDG-WIYYLYMNSA-N 0 1 379.460 3.970 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H](c2ccccc2)C1(C)C ZINC001460258714 1068889530 /nfs/dbraw/zinc/88/95/30/1068889530.db2.gz QXVZGYCEBBFUOK-KRWDZBQOSA-N 0 1 383.448 3.810 20 5 GHBDMN O=[N+]([O-])c1cnc2ccc(Cl)cc2c1NC1CCN(Cc2cccnc2)CC1 ZINC001472769133 1073657899 /nfs/dbraw/zinc/65/78/99/1073657899.db2.gz BNOAQNZPWDGJJK-UHFFFAOYSA-N 0 1 397.866 3.690 20 5 GHBDMN C[C@@H]1[C@@H](C)N(Cc2ccccc2)[C@@H](C)CN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001472821949 1073681763 /nfs/dbraw/zinc/68/17/63/1073681763.db2.gz CLHLMEBMHCIDDL-ARFHVFGLSA-N 0 1 384.436 3.991 20 5 GHBDMN CCN1CCN(c2ccc(Nc3nc4c(cc3[N+](=O)[O-])CCCC4)cc2F)CC1 ZINC001472860350 1073699072 /nfs/dbraw/zinc/69/90/72/1073699072.db2.gz OOSXQBVJNFEGNL-UHFFFAOYSA-N 0 1 399.470 3.893 20 5 GHBDMN Cc1ccc(N2CCN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3C)CC2)c(C)c1 ZINC001473664271 1074072946 /nfs/dbraw/zinc/07/29/46/1074072946.db2.gz UIOJSCVZUYJAMB-UHFFFAOYSA-N 0 1 396.491 3.671 20 5 GHBDMN CC[C@@H](N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1cccc(OC)c1OC ZINC001473733016 1074114488 /nfs/dbraw/zinc/11/44/88/1074114488.db2.gz RYLRHJYWUFBLSE-SUMWQHHRSA-N 0 1 387.436 3.680 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@H]1[C@@H](C)c1ccccc1 ZINC001473818676 1074159118 /nfs/dbraw/zinc/15/91/18/1074159118.db2.gz RXYUSHPLIOQDON-HNAYVOBHSA-N 0 1 383.448 3.810 20 5 GHBDMN C[C@H]([NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])c1nc(C(F)(F)F)n[n-]1 ZINC001474724362 1074534672 /nfs/dbraw/zinc/53/46/72/1074534672.db2.gz PVDCUIVSDUYMBI-LOWVWBTDSA-N 0 1 383.374 3.794 20 5 GHBDMN C[C@](CO)(Cc1ccc(F)cc1)NCc1cccc([N+](=O)[O-])c1Br ZINC001660386880 1126264280 /nfs/dbraw/zinc/26/42/80/1126264280.db2.gz CHWCXMAWOVOTDE-QGZVFWFLSA-N 0 1 397.244 3.580 20 5 GHBDMN CC(C)OC[C@H](C(=O)[O-])[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000833506375 604765151 /nfs/dbraw/zinc/76/51/51/604765151.db2.gz YWAVCQSEPPLDQL-MRXNPFEDSA-N 0 1 396.827 3.818 20 5 GHBDMN CC(C)OC[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000833506375 604765153 /nfs/dbraw/zinc/76/51/53/604765153.db2.gz YWAVCQSEPPLDQL-MRXNPFEDSA-N 0 1 396.827 3.818 20 5 GHBDMN C[C@@H](C(=O)[O-])[C@@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1 ZINC000833408470 604921826 /nfs/dbraw/zinc/92/18/26/604921826.db2.gz VKDJSEUKQCALBS-FZKQIMNGSA-N 0 1 381.388 3.801 20 5 GHBDMN CC[C@H](N[C@H]1CC(=O)N(c2c(F)cccc2F)C1)c1cccc([N+](=O)[O-])c1 ZINC000536170517 835304980 /nfs/dbraw/zinc/30/49/80/835304980.db2.gz KOEJBBSITFQRJE-GUYCJALGSA-N 0 1 375.375 3.719 20 5 GHBDMN COC[C@H](C)N[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000003284544 835650441 /nfs/dbraw/zinc/65/04/41/835650441.db2.gz XEGRIMOWSHYSAU-YVEFUNNKSA-N 0 1 377.828 3.553 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C)c1ccc(OC(F)F)cc1 ZINC000179606934 835890351 /nfs/dbraw/zinc/89/03/51/835890351.db2.gz VNSBMBRVLGYNCY-GFCCVEGCSA-N 0 1 379.363 3.794 20 5 GHBDMN Cc1[nH]ncc1C1CCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC1 ZINC000375938565 836273579 /nfs/dbraw/zinc/27/35/79/836273579.db2.gz SQXGNWDMFJGVIU-UHFFFAOYSA-N 0 1 386.455 3.733 20 5 GHBDMN C[C@@H]1CN(Cc2cccc(Nc3ncnc4sc([N+](=O)[O-])cc43)c2)C[C@H](C)O1 ZINC000582504088 836320720 /nfs/dbraw/zinc/32/07/20/836320720.db2.gz UOBNRJOXQMXKEL-BETUJISGSA-N 0 1 399.476 3.952 20 5 GHBDMN CC1(C)C[C@H](C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)c2ccccc2O1 ZINC000411997305 836487435 /nfs/dbraw/zinc/48/74/35/836487435.db2.gz IEUVKOPPKDOQML-HNNXBMFYSA-N 0 1 393.403 3.663 20 5 GHBDMN C[C@@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)c1nc2ccccc2n1C(F)F ZINC000275403934 836986723 /nfs/dbraw/zinc/98/67/23/836986723.db2.gz CFMCSXKDUKDLLB-BDJLRTHQSA-N 0 1 376.363 3.724 20 5 GHBDMN COc1cc(Cl)c(C)cc1NC(=O)CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180447086 837266189 /nfs/dbraw/zinc/26/61/89/837266189.db2.gz HHDICWQJZGIUTH-GFCCVEGCSA-N 0 1 377.828 3.855 20 5 GHBDMN C[C@@H](NCC(=O)N[C@@H](c1nccs1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180459268 837282061 /nfs/dbraw/zinc/28/20/61/837282061.db2.gz VRGZLECOVFIFNT-AUUYWEPGSA-N 0 1 396.472 3.608 20 5 GHBDMN Cc1ccc(Sc2ccc(C(=O)N3CCCN(C)CC3)cc2[N+](=O)[O-])cc1 ZINC000127402855 844270350 /nfs/dbraw/zinc/27/03/50/844270350.db2.gz BPGCLBFEWGNDPL-UHFFFAOYSA-N 0 1 385.489 3.832 20 5 GHBDMN COc1ccc(OCCN2CCC(OCC3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000177485313 837981166 /nfs/dbraw/zinc/98/11/66/837981166.db2.gz ZDFFVSOZOCLRCR-UHFFFAOYSA-N 0 1 378.469 3.653 20 5 GHBDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)n[nH]1 ZINC000412281509 838128745 /nfs/dbraw/zinc/12/87/45/838128745.db2.gz FYOVZTNCAOZOLZ-NWDGAFQWSA-N 0 1 375.429 3.505 20 5 GHBDMN COc1ccc2c(c1)CCC[C@H]2N(C)Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000782892779 838290625 /nfs/dbraw/zinc/29/06/25/838290625.db2.gz AZGXCUMZDKANHE-LJQANCHMSA-N 0 1 381.436 3.623 20 5 GHBDMN Cc1cc(Cl)c([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000134066568 838338564 /nfs/dbraw/zinc/33/85/64/838338564.db2.gz BLONTHRRHBWHLT-UHFFFAOYSA-N 0 1 385.785 3.574 20 5 GHBDMN O=C(NCCc1nnc(-c2ccccc2)[nH]1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000189777307 838402726 /nfs/dbraw/zinc/40/27/26/838402726.db2.gz SAMRNUKVJXDYQB-UHFFFAOYSA-N 0 1 393.428 3.567 20 5 GHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC[C@H]1Cc1cc(F)ccc1F ZINC000416040763 838446744 /nfs/dbraw/zinc/44/67/44/838446744.db2.gz CBYQGQYOIDRPNU-ZDUSSCGKSA-N 0 1 386.358 3.597 20 5 GHBDMN COc1ccc(NC(=O)CCN[C@@H](C)c2ccc(F)cc2F)c([N+](=O)[O-])c1 ZINC000181580589 838541669 /nfs/dbraw/zinc/54/16/69/838541669.db2.gz BTJNDQZQQFSECE-NSHDSACASA-N 0 1 379.363 3.561 20 5 GHBDMN O=[N+]([O-])c1cc(CN[C@H]2c3ccccc3CC23CCOCC3)c2c(c1)COCO2 ZINC000290247146 838798377 /nfs/dbraw/zinc/79/83/77/838798377.db2.gz ZTGQWGNQUNHHTE-NRFANRHFSA-N 0 1 396.443 3.645 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2cnc(CCN3CCN(c4ccc(F)cc4)CC3)o2)c1 ZINC000104661446 838834987 /nfs/dbraw/zinc/83/49/87/838834987.db2.gz WTCVUEFNAHYNGI-UHFFFAOYSA-N 0 1 396.422 3.754 20 5 GHBDMN CN1CCCC(C)(C)[C@H]1CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000548066135 839025645 /nfs/dbraw/zinc/02/56/45/839025645.db2.gz RICYBJDZJLKVAO-HXUWFJFHSA-N 0 1 377.488 3.532 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@H](C)c1ccc(F)cc1F ZINC000181597188 839155220 /nfs/dbraw/zinc/15/52/20/839155220.db2.gz OHXCJCGFFHBRFY-NSHDSACASA-N 0 1 379.363 3.561 20 5 GHBDMN O=C(NC1CCCCC1)NC1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255362834 839239002 /nfs/dbraw/zinc/23/90/02/839239002.db2.gz ZTDKTEFGDWTBTE-VURMDHGXSA-N 0 1 386.496 3.704 20 5 GHBDMN Cc1cc(N2CCC(c3[nH+]cc4n3CCCC4)CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000580436343 839555457 /nfs/dbraw/zinc/55/54/57/839555457.db2.gz UAKLYGOWXLWXQA-UHFFFAOYSA-N 0 1 384.436 3.518 20 5 GHBDMN CSc1ccc([N+](=O)[O-])c(C(=O)NCC(C)(C)N2CCc3ccccc3C2)c1 ZINC000025463267 844460293 /nfs/dbraw/zinc/46/02/93/844460293.db2.gz ITGISNVVLGVNGJ-UHFFFAOYSA-N 0 1 399.516 3.883 20 5 GHBDMN C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000610446179 839759441 /nfs/dbraw/zinc/75/94/41/839759441.db2.gz UCFQJIWMDMIWFX-OAHLLOKOSA-N 0 1 387.867 3.985 20 5 GHBDMN Cn1c2ccccc2nc1[C@H]1CCCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000548123045 839955682 /nfs/dbraw/zinc/95/56/82/839955682.db2.gz QEXBENSOZGWZOF-GOSISDBHSA-N 0 1 380.404 3.555 20 5 GHBDMN CC(C)(NC(=O)c1ccc(CN2CCSCC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000430521626 840251232 /nfs/dbraw/zinc/25/12/32/840251232.db2.gz SKSMJHQSUULANI-UHFFFAOYSA-N 0 1 399.516 3.809 20 5 GHBDMN O=[N+]([O-])c1cccc(F)c1NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000561186210 840279128 /nfs/dbraw/zinc/27/91/28/840279128.db2.gz TWPYQYATTDIZAY-UHFFFAOYSA-N 0 1 392.188 3.894 20 5 GHBDMN O=[N+]([O-])c1cccc(F)c1NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000561186210 840279140 /nfs/dbraw/zinc/27/91/40/840279140.db2.gz TWPYQYATTDIZAY-UHFFFAOYSA-N 0 1 392.188 3.894 20 5 GHBDMN O=C([O-])CC[N@H+](Cc1csc([N+](=O)[O-])c1)Cc1cccc(Br)c1 ZINC000580898980 840393001 /nfs/dbraw/zinc/39/30/01/840393001.db2.gz XAMNQMAKLFLCNT-UHFFFAOYSA-N 0 1 399.266 3.896 20 5 GHBDMN O=C([O-])CC[N@@H+](Cc1csc([N+](=O)[O-])c1)Cc1cccc(Br)c1 ZINC000580898980 840393006 /nfs/dbraw/zinc/39/30/06/840393006.db2.gz XAMNQMAKLFLCNT-UHFFFAOYSA-N 0 1 399.266 3.896 20 5 GHBDMN O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)CCCC2 ZINC000417326283 840728731 /nfs/dbraw/zinc/72/87/31/840728731.db2.gz ROZVILDTJQHVCL-HSZRJFAPSA-N 0 1 395.503 3.984 20 5 GHBDMN CC(C)(C)CNC(=O)C(C)(C)NCc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000549532695 841474411 /nfs/dbraw/zinc/47/44/11/841474411.db2.gz ZFUFBKYZENFNHF-UHFFFAOYSA-N 0 1 375.391 3.644 20 5 GHBDMN CCCO[C@@H]1CCCN(Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])CC1 ZINC000108396296 841598884 /nfs/dbraw/zinc/59/88/84/841598884.db2.gz DNWBWVVQGHOXOE-CQSZACIVSA-N 0 1 388.411 3.986 20 5 GHBDMN CCCO[C@H]1CCCN(Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])CC1 ZINC000108396297 841599210 /nfs/dbraw/zinc/59/92/10/841599210.db2.gz DNWBWVVQGHOXOE-AWEZNQCLSA-N 0 1 388.411 3.986 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C)c1ccc(SC)cc1 ZINC000500265448 841779897 /nfs/dbraw/zinc/77/98/97/841779897.db2.gz WEVKBTLKXYBNGG-LBPRGKRZSA-N 0 1 375.450 3.615 20 5 GHBDMN O=[N+]([O-])c1ccccc1OCCN1CCC(Oc2ccc(F)cc2F)CC1 ZINC000603850447 861271073 /nfs/dbraw/zinc/27/10/73/861271073.db2.gz GBJYHKWIMAMMRU-UHFFFAOYSA-N 0 1 378.375 3.795 20 5 GHBDMN C[C@H](CNc1ccc2ncccc2c1[N+](=O)[O-])N1CCN(c2ccccc2)CC1 ZINC000603853715 861274759 /nfs/dbraw/zinc/27/47/59/861274759.db2.gz KHSDIXUFWFWYSD-QGZVFWFLSA-N 0 1 391.475 3.766 20 5 GHBDMN CC1CCN([C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2F)c2cccs2)CC1 ZINC000054059363 842253450 /nfs/dbraw/zinc/25/34/50/842253450.db2.gz HMLHGWBIZHZVQR-QGZVFWFLSA-N 0 1 391.468 3.998 20 5 GHBDMN CN1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]1Cc1ccccc1 ZINC000585756138 842264573 /nfs/dbraw/zinc/26/45/73/842264573.db2.gz KMSBGXVHMAUUOB-OAQYLSRUSA-N 0 1 392.459 3.609 20 5 GHBDMN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCC1(N2CCCCC2)CCCCC1 ZINC000302693197 861326495 /nfs/dbraw/zinc/32/64/95/861326495.db2.gz GBALCUOLYWKXET-UHFFFAOYSA-N 0 1 395.525 3.599 20 5 GHBDMN CC1(C)C[C@H](NCc2cccc(CS(C)(=O)=O)c2)c2cc([N+](=O)[O-])ccc21 ZINC000279138066 842627448 /nfs/dbraw/zinc/62/74/48/842627448.db2.gz RQDKNACQGUAZKX-IBGZPJMESA-N 0 1 388.489 3.652 20 5 GHBDMN Cc1cccc(CN2CCCC[C@H]2C(=O)NCCc2cccc([N+](=O)[O-])c2)c1 ZINC001266862248 842674091 /nfs/dbraw/zinc/67/40/91/842674091.db2.gz FSOORVBORBZULA-NRFANRHFSA-N 0 1 381.476 3.617 20 5 GHBDMN Cc1ccc(CN2CC[C@@H](Nc3cc(C)nc4ccc([N+](=O)[O-])cc43)C2=O)cc1 ZINC000302748874 861349024 /nfs/dbraw/zinc/34/90/24/861349024.db2.gz UKIBNROGZKDFCA-HXUWFJFHSA-N 0 1 390.443 3.973 20 5 GHBDMN CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000107713530 842926263 /nfs/dbraw/zinc/92/62/63/842926263.db2.gz VLDMHYSJMQJMAJ-MRXNPFEDSA-N 0 1 384.354 3.836 20 5 GHBDMN Cc1ccc(CN(C)C[C@H](O)COc2ccccc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000510628841 843088804 /nfs/dbraw/zinc/08/88/04/843088804.db2.gz JGMDDBKMXWZYNT-HNNXBMFYSA-N 0 1 398.381 3.794 20 5 GHBDMN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)Nc2ccc3cc[nH]c3c2)c1 ZINC000432642022 843337202 /nfs/dbraw/zinc/33/72/02/843337202.db2.gz GPWRGZMAGZGBCY-UHFFFAOYSA-N 0 1 396.222 3.639 20 5 GHBDMN Cc1nc2ccccc2n1C1CCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])CC1 ZINC000279898861 843462505 /nfs/dbraw/zinc/46/25/05/843462505.db2.gz ZMAIJSVVBCLLHB-UHFFFAOYSA-N 0 1 396.451 3.577 20 5 GHBDMN CC[C@H]1C[C@@]1(NCc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)c1cccc(C)c1 ZINC000500507493 843555691 /nfs/dbraw/zinc/55/56/91/843555691.db2.gz JOVGRGJPNBXMOH-JTSKRJEESA-N 0 1 398.459 3.870 20 5 GHBDMN COc1cc(C)c([C@@H](C)N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC ZINC000056154200 861437373 /nfs/dbraw/zinc/43/73/73/861437373.db2.gz PKSNFXMQMJDSMZ-ZIAGYGMSSA-N 0 1 387.436 3.598 20 5 GHBDMN C/C(=C/C(=O)NC1CCN(Cc2ccc(F)cc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000785358463 843687957 /nfs/dbraw/zinc/68/79/57/843687957.db2.gz OHXBGRCSFDVWKW-PEZBUJJGSA-N 0 1 397.450 3.918 20 5 GHBDMN CC1(C)C[C@H](NCc2n[nH]c(COc3ccccc3)n2)c2cc([N+](=O)[O-])ccc21 ZINC000433244288 843918469 /nfs/dbraw/zinc/91/84/69/843918469.db2.gz UVNYTNLOKUVYQY-SFHVURJKSA-N 0 1 393.447 3.804 20 5 GHBDMN CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@@H](O)C23CCCC3)cc1OC ZINC000433297418 843995240 /nfs/dbraw/zinc/99/52/40/843995240.db2.gz LFCKMOBNCHCGID-FOIQADDNSA-N 0 1 392.496 3.908 20 5 GHBDMN COc1cccc([C@H](CNC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)N2CCCC2)c1 ZINC000573780843 845019046 /nfs/dbraw/zinc/01/90/46/845019046.db2.gz LPXIGUVPPVBVIU-IERDGZPVSA-N 0 1 397.475 3.660 20 5 GHBDMN CC1(C)C[C@H](N[C@H](CN2CCOCC2)c2ccccc2)c2cc([N+](=O)[O-])ccc21 ZINC000433168172 845580192 /nfs/dbraw/zinc/58/01/92/845580192.db2.gz LPHLERAPZIINEF-FCHUYYIVSA-N 0 1 395.503 3.980 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N(C)CCCOc2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000433992799 845706496 /nfs/dbraw/zinc/70/64/96/845706496.db2.gz FLSPLAIIDMTOIE-UHFFFAOYSA-N 0 1 380.832 3.636 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN2CC[C@]23CCOC3)cc1 ZINC000421401590 846194920 /nfs/dbraw/zinc/19/49/20/846194920.db2.gz ULNBGWHKOANOGZ-JOCHJYFZSA-N 0 1 390.443 3.812 20 5 GHBDMN Cc1c(CN(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)cccc1[N+](=O)[O-] ZINC000051406894 846196429 /nfs/dbraw/zinc/19/64/29/846196429.db2.gz OEPPGLAICHQTGM-UHFFFAOYSA-N 0 1 379.460 3.960 20 5 GHBDMN Cc1c2ccccc2oc1[C@H](C)NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000183579142 846319061 /nfs/dbraw/zinc/31/90/61/846319061.db2.gz LAIFXOQRJXXBKH-AWEZNQCLSA-N 0 1 379.416 3.889 20 5 GHBDMN Cc1ccc(F)cc1-c1nnc(NC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])s1 ZINC000280245118 846335041 /nfs/dbraw/zinc/33/50/41/846335041.db2.gz YEWXKUXBHHVUME-UHFFFAOYSA-N 0 1 390.400 3.660 20 5 GHBDMN C[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000119962475 846589177 /nfs/dbraw/zinc/58/91/77/846589177.db2.gz XSDOTZOAUVGTKC-NSHDSACASA-N 0 1 378.226 3.647 20 5 GHBDMN C[C@@H](N[C@@H](C)C(=O)Nc1ccc(-c2c[nH]cn2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000503161682 846860209 /nfs/dbraw/zinc/86/02/09/846860209.db2.gz NSZDVVJULBBXCD-KGLIPLIRSA-N 0 1 379.420 3.663 20 5 GHBDMN CC[C@@H](C)c1nc([C@H](C)NC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)n[nH]1 ZINC000599834824 861766853 /nfs/dbraw/zinc/76/68/53/861766853.db2.gz ITENENPSQNAWAD-MNOVXSKESA-N 0 1 383.412 3.657 20 5 GHBDMN CN(CCCN(C)C(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)Cc1ccco1 ZINC000599835688 861770159 /nfs/dbraw/zinc/77/01/59/861770159.db2.gz MZQKVLIEYDGAPA-UHFFFAOYSA-N 0 1 397.435 3.722 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@H]1Cc1ccc(C)cc1 ZINC000303588921 861802280 /nfs/dbraw/zinc/80/22/80/861802280.db2.gz LYPYHDJXQBFMAZ-KRWDZBQOSA-N 0 1 383.448 3.557 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1CN[C@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000479424903 847639854 /nfs/dbraw/zinc/63/98/54/847639854.db2.gz SLDXYELMQSZDOK-INIZCTEOSA-N 0 1 393.365 3.817 20 5 GHBDMN C[C@H](N[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C(=O)N1Cc2ccccc2C1 ZINC000479491522 847662726 /nfs/dbraw/zinc/66/27/26/847662726.db2.gz SZVHRYDAQMKYHC-VBKZILBWSA-N 0 1 379.460 3.838 20 5 GHBDMN O=[N+]([O-])c1ccc(CSc2nc(-c3ccc4c(c3)OCCO4)n[nH]2)c(F)c1 ZINC000502439306 847904620 /nfs/dbraw/zinc/90/46/20/847904620.db2.gz GRJJNQMDCKSNRG-UHFFFAOYSA-N 0 1 388.380 3.583 20 5 GHBDMN Cc1c2ccccc2oc1[C@@H](C)NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000183552836 847947000 /nfs/dbraw/zinc/94/70/00/847947000.db2.gz DMAOGMMMPCJFJA-CQSZACIVSA-N 0 1 379.416 3.889 20 5 GHBDMN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](c1ccc(F)cc1)N(C)C ZINC000604181539 861903234 /nfs/dbraw/zinc/90/32/34/861903234.db2.gz MYQDYKBSPAGFED-SCLBCKFNSA-N 0 1 391.468 3.634 20 5 GHBDMN Cc1cc(N2CCC(CO)(c3ccccc3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000431494476 848520883 /nfs/dbraw/zinc/52/08/83/848520883.db2.gz MGHDXZOKZMVDJC-UHFFFAOYSA-N 0 1 377.444 3.982 20 5 GHBDMN O=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000604175614 861932775 /nfs/dbraw/zinc/93/27/75/861932775.db2.gz KGFNEVVHUMUVOO-UHFFFAOYSA-N 0 1 397.406 3.875 20 5 GHBDMN CC[C@H](N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(OC)c(OC)c1 ZINC000506668206 850336971 /nfs/dbraw/zinc/33/69/71/850336971.db2.gz HFQKCJKBRKKVOJ-ZFWWWQNUSA-N 0 1 387.436 3.680 20 5 GHBDMN CC[C@@](C)(O)CN(Cc1ccccc1)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000439775542 850380346 /nfs/dbraw/zinc/38/03/46/850380346.db2.gz OJPDMCQGKMSAJZ-OAQYLSRUSA-N 0 1 388.464 3.775 20 5 GHBDMN COCCN(Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000426510689 850487611 /nfs/dbraw/zinc/48/76/11/850487611.db2.gz WQFFOKSSLWDLTK-IBGZPJMESA-N 0 1 385.464 3.600 20 5 GHBDMN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](c1ccco1)N(CC)CC ZINC000439864001 850508194 /nfs/dbraw/zinc/50/81/94/850508194.db2.gz CVFIJBIAHWAKSS-INIZCTEOSA-N 0 1 390.440 3.791 20 5 GHBDMN Cc1cc(C)n2c(CNCc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)cnc2n1 ZINC000487196358 850553673 /nfs/dbraw/zinc/55/36/73/850553673.db2.gz RQHQPPYSRKOCGZ-UHFFFAOYSA-N 0 1 379.342 3.563 20 5 GHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000506720857 850591961 /nfs/dbraw/zinc/59/19/61/850591961.db2.gz YMVQOFPHFKBRQB-INIZCTEOSA-N 0 1 396.321 3.533 20 5 GHBDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000435651730 850740682 /nfs/dbraw/zinc/74/06/82/850740682.db2.gz XDUXPXGWJMSWHO-UHFFFAOYSA-N 0 1 392.459 3.955 20 5 GHBDMN CCO[C@H]1C[C@@H](N(C)C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C12CCCCC2 ZINC000434246308 850924917 /nfs/dbraw/zinc/92/49/17/850924917.db2.gz RQBHHAOUKJGPNN-KGLIPLIRSA-N 0 1 378.473 3.641 20 5 GHBDMN C[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccc(Br)cc1 ZINC000028063469 851016846 /nfs/dbraw/zinc/01/68/46/851016846.db2.gz PAAHHRFULGMLEZ-VIFPVBQESA-N 0 1 389.209 3.725 20 5 GHBDMN COc1ccc(NC(=O)N2CCN(Cc3ccccc3)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000543885553 851027109 /nfs/dbraw/zinc/02/71/09/851027109.db2.gz VYLBPRMNEJCZJI-UHFFFAOYSA-N 0 1 398.463 3.732 20 5 GHBDMN CC(C)(C)N1CCc2nc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)sc2C1 ZINC000425075060 851047569 /nfs/dbraw/zinc/04/75/69/851047569.db2.gz COTRLLYFONVWLB-UHFFFAOYSA-N 0 1 378.429 3.599 20 5 GHBDMN CC(C)(C)c1ccc(C(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)cc1[N+](=O)[O-] ZINC000120762386 851123158 /nfs/dbraw/zinc/12/31/58/851123158.db2.gz LNDIVHTVNMOLCH-OAHLLOKOSA-N 0 1 397.479 3.908 20 5 GHBDMN C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)[C@@H]1c1ccc(Cl)cc1 ZINC000910368457 851159164 /nfs/dbraw/zinc/15/91/64/851159164.db2.gz AQDHXEDDBAQVTR-RDJZCZTQSA-N 0 1 375.812 3.804 20 5 GHBDMN C[C@]1(CCc2ccccc2)CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000434570237 851272494 /nfs/dbraw/zinc/27/24/94/851272494.db2.gz QNJIOONDYMWHHD-NRFANRHFSA-N 0 1 378.432 3.956 20 5 GHBDMN Cc1cc(CN2CCSCC2)ccc1NC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000164198426 851276430 /nfs/dbraw/zinc/27/64/30/851276430.db2.gz PUYHWRKUFNBOJI-UHFFFAOYSA-N 0 1 399.516 3.942 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2cnc(CCN3CCOc4c(F)cccc4C3)o2)c1 ZINC000434615904 851352651 /nfs/dbraw/zinc/35/26/51/851352651.db2.gz NZDMXBRQOOMILW-UHFFFAOYSA-N 0 1 383.379 3.826 20 5 GHBDMN COc1cc(C)c(S(=O)(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1C ZINC000430077056 851525068 /nfs/dbraw/zinc/52/50/68/851525068.db2.gz FZCFPWGSIIEZNE-UHFFFAOYSA-N 0 1 393.446 3.631 20 5 GHBDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])n[nH]1 ZINC000489188036 852101597 /nfs/dbraw/zinc/10/15/97/852101597.db2.gz WUELBFOPDJKVRI-HBNTYKKESA-N 0 1 395.847 3.525 20 5 GHBDMN C[C@@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1nc2ccc(Cl)cc2[nH]1 ZINC000732569144 862361905 /nfs/dbraw/zinc/36/19/05/862361905.db2.gz XORMEGWYTNDWCO-SECBINFHSA-N 0 1 394.840 3.701 20 5 GHBDMN C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000436946394 852527408 /nfs/dbraw/zinc/52/74/08/852527408.db2.gz ARCDWYPXQUQUTI-HNNXBMFYSA-N 0 1 383.448 3.605 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000489766876 852594734 /nfs/dbraw/zinc/59/47/34/852594734.db2.gz CNTBNFXFPMPWQB-GFCCVEGCSA-N 0 1 398.385 3.735 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000489771551 852598637 /nfs/dbraw/zinc/59/86/37/852598637.db2.gz HQXCTHRUKVVMKN-ZDUSSCGKSA-N 0 1 398.385 3.735 20 5 GHBDMN O=C(c1cn[nH]c1-c1ccc(Cl)s1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000427160333 852798752 /nfs/dbraw/zinc/79/87/52/852798752.db2.gz AJBJRBJBSKAZDK-UHFFFAOYSA-N 0 1 388.836 3.898 20 5 GHBDMN Cc1ccc(Sc2ccc(CN[C@@H]3C(=O)NCC[C@H]3C)cc2[N+](=O)[O-])cc1 ZINC000441336090 854103765 /nfs/dbraw/zinc/10/37/65/854103765.db2.gz RSZMWDGSKAVKFQ-KUHUBIRLSA-N 0 1 385.489 3.669 20 5 GHBDMN C[C@H]1CN(CCCNC(=O)c2cc3ccccc3c3cccnc23)C[C@H](C)O1 ZINC000045065041 854170267 /nfs/dbraw/zinc/17/02/67/854170267.db2.gz RZXWDSHBEMGFFN-IRXDYDNUSA-N 0 1 377.488 3.617 20 5 GHBDMN CC1(C)CC[C@@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000481996439 862592480 /nfs/dbraw/zinc/59/24/80/862592480.db2.gz AKNVDFJMBPEIIQ-LJQANCHMSA-N 0 1 388.489 3.771 20 5 GHBDMN Cc1ccncc1[C@@H](C)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000589258511 854763553 /nfs/dbraw/zinc/76/35/53/854763553.db2.gz TZGQASFWKMFEMB-LLVKDONJSA-N 0 1 397.216 3.754 20 5 GHBDMN CCN1CCN(c2ccccc2NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000057511915 855434129 /nfs/dbraw/zinc/43/41/29/855434129.db2.gz NZZIFJJZQSOLJL-UHFFFAOYSA-N 0 1 388.855 3.642 20 5 GHBDMN COC[C@](C)(CC(=O)OC)NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000542690605 855444916 /nfs/dbraw/zinc/44/49/16/855444916.db2.gz MFQVBTCLHPGPTM-SFHVURJKSA-N 0 1 396.827 3.566 20 5 GHBDMN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C2CCCC2)CC1 ZINC000180743943 855485735 /nfs/dbraw/zinc/48/57/35/855485735.db2.gz RHLKPFWJYJWMLZ-UHFFFAOYSA-N 0 1 377.510 3.796 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N(C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC000273466118 855515197 /nfs/dbraw/zinc/51/51/97/855515197.db2.gz DTTYYUCBOBFGBM-CABCVRRESA-N 0 1 390.415 3.573 20 5 GHBDMN C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)[C@H](C)CN1Cc1ccccc1 ZINC000542714081 855527877 /nfs/dbraw/zinc/52/78/77/855527877.db2.gz PCRPCCYYVXWFOL-HUUCEWRRSA-N 0 1 386.427 3.861 20 5 GHBDMN CCO[C@@H]1C[C@@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@]12CCCO2 ZINC000273599895 855771612 /nfs/dbraw/zinc/77/16/12/855771612.db2.gz LSMZVKYSQWKSEZ-ZHALLVOQSA-N 0 1 389.477 3.535 20 5 GHBDMN C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000554128282 855816516 /nfs/dbraw/zinc/81/65/16/855816516.db2.gz GUAZSCQOPNJNCY-KCQAQPDRSA-N 0 1 397.928 3.529 20 5 GHBDMN COc1cc(C(=O)Nc2nc(-c3cc4ccccc4o3)n[nH]2)cc([N+](=O)[O-])c1C ZINC000485106294 856098915 /nfs/dbraw/zinc/09/89/15/856098915.db2.gz NVAFXFDJXNHEBB-UHFFFAOYSA-N 0 1 393.359 3.695 20 5 GHBDMN Cc1nc([N+](=O)[O-])c(-c2noc(-c3cc(Cl)c4ccccc4c3O)n2)n1C ZINC000445617393 856154118 /nfs/dbraw/zinc/15/41/18/856154118.db2.gz ZGVONWRPYSUGEK-UHFFFAOYSA-N 0 1 385.767 3.866 20 5 GHBDMN CC(C)NC(=O)c1ccc(NC[C@H](c2ccsc2)N(C)C)c([N+](=O)[O-])c1 ZINC000026720504 856229641 /nfs/dbraw/zinc/22/96/41/856229641.db2.gz NLEBUSJVWMQCII-QGZVFWFLSA-N 0 1 376.482 3.509 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2noc(CN3CCCC[C@@H]3[C@H]3CCCC[C@H]3O)n2)c1 ZINC000280991855 862780855 /nfs/dbraw/zinc/78/08/55/862780855.db2.gz LWUVWIAKONEVHA-KZNAEPCWSA-N 0 1 386.452 3.550 20 5 GHBDMN Cc1cc(S(=O)(=O)Nc2cccc(OCc3cccnc3)c2)ccc1[N+](=O)[O-] ZINC000172182919 856364636 /nfs/dbraw/zinc/36/46/36/856364636.db2.gz XWERNVXORRLFOM-UHFFFAOYSA-N 0 1 399.428 3.678 20 5 GHBDMN Cc1c(CNCc2cc3c(c(Br)c2)OCO3)cccc1[N+](=O)[O-] ZINC000323038013 856580230 /nfs/dbraw/zinc/58/02/30/856580230.db2.gz BGLZNZAQXUZXLK-UHFFFAOYSA-N 0 1 379.210 3.684 20 5 GHBDMN O=[N+]([O-])c1cc(CN(Cc2ccccc2)[C@H](CO)C2CCC2)c2c(c1)COCO2 ZINC000592139298 856687225 /nfs/dbraw/zinc/68/72/25/856687225.db2.gz UFMHIHDIDFNLDK-OAQYLSRUSA-N 0 1 398.459 3.625 20 5 GHBDMN COc1cc(CN[C@H](c2ccccc2)C2(CO)CC=CC2)c([N+](=O)[O-])cc1F ZINC000592177749 856761833 /nfs/dbraw/zinc/76/18/33/856761833.db2.gz PHDFQWSMORFTDR-HXUWFJFHSA-N 0 1 386.423 3.902 20 5 GHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC2(c3cccc(Cl)c3)CCC2)cc1 ZINC000592184377 856795458 /nfs/dbraw/zinc/79/54/58/856795458.db2.gz PFDVSRLGDBYXSW-UHFFFAOYSA-N 0 1 394.880 3.691 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(Cc1ccccc1)CC1CCOCC1 ZINC000173373951 856895454 /nfs/dbraw/zinc/89/54/54/856895454.db2.gz UKOJBDFCEUKCHF-UHFFFAOYSA-N 0 1 397.475 3.771 20 5 GHBDMN COc1cccc([C@H]2[C@H](NC(=O)c3cccc([N+](=O)[O-])c3C)CCN2C2CC2)c1 ZINC000245543469 856947513 /nfs/dbraw/zinc/94/75/13/856947513.db2.gz KTKGYEUBMIORGN-CTNGQTDRSA-N 0 1 395.459 3.620 20 5 GHBDMN COc1cc(CN(CCO)CC2CCCCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000485726394 856978576 /nfs/dbraw/zinc/97/85/76/856978576.db2.gz PXYOMHRKTGTTCO-UHFFFAOYSA-N 0 1 388.411 3.579 20 5 GHBDMN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1cccs1)N(C)C ZINC000027676694 857107327 /nfs/dbraw/zinc/10/73/27/857107327.db2.gz XUDPDJLACNDFAK-DOMZBBRYSA-N 0 1 379.507 3.556 20 5 GHBDMN CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000175082622 857436650 /nfs/dbraw/zinc/43/66/50/857436650.db2.gz PQEQVGQFWUNXQJ-MRXNPFEDSA-N 0 1 399.495 3.691 20 5 GHBDMN C[C@@H]1CN(Cc2ccccc2CNc2ncc(Cl)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000301750792 857549342 /nfs/dbraw/zinc/54/93/42/857549342.db2.gz UNMNBAFYLLJADV-OKILXGFUSA-N 0 1 390.871 3.865 20 5 GHBDMN COc1ccccc1[C@H](CNc1ncc(Cl)cc1[N+](=O)[O-])N1CCCC1 ZINC000301752313 857559485 /nfs/dbraw/zinc/55/94/85/857559485.db2.gz VMKSBFKUTNIRJM-INIZCTEOSA-N 0 1 376.844 3.901 20 5 GHBDMN O=C(Nc1ccc2nc(-c3cc(F)ccc3F)[nH]c2c1)c1ccc([N+](=O)[O-])[nH]1 ZINC000486429276 857728257 /nfs/dbraw/zinc/72/82/57/857728257.db2.gz XEEWPRUYFUGZHQ-UHFFFAOYSA-N 0 1 383.314 3.997 20 5 GHBDMN C[C@H]1C[C@@H]1c1ccc(CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C2CC2)o1 ZINC000027281853 857756103 /nfs/dbraw/zinc/75/61/03/857756103.db2.gz DFYPOFAMUYWDFS-NHYWBVRUSA-N 0 1 380.404 3.992 20 5 GHBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1cccc(OC2CCCC2)c1 ZINC000521309587 857838879 /nfs/dbraw/zinc/83/88/79/857838879.db2.gz RWRANYOFOHEZDC-UHFFFAOYSA-N 0 1 393.403 3.954 20 5 GHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000543019880 857891454 /nfs/dbraw/zinc/89/14/54/857891454.db2.gz SUMKDHADGAUHDJ-INIZCTEOSA-N 0 1 396.321 3.533 20 5 GHBDMN C[C@H](Sc1nc(-c2ccccc2F)n[nH]1)C(=O)Nc1cccc([N+](=O)[O-])c1 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382.420 3.544 20 5 GHBDMN CCN(Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)[C@H](C)c1ccc(F)cc1 ZINC000475575304 866383851 /nfs/dbraw/zinc/38/38/51/866383851.db2.gz ZYOGPDCEUURPEO-CQSZACIVSA-N 0 1 390.411 3.869 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1CN(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 ZINC000183272561 866506458 /nfs/dbraw/zinc/50/64/58/866506458.db2.gz NMXIMXWCSJIIJW-UHFFFAOYSA-N 0 1 379.460 3.960 20 5 GHBDMN O=[N+]([O-])c1cc2c(ncnc2NC2CCN(Cc3ccc(F)cc3)CC2)s1 ZINC000552941200 866508962 /nfs/dbraw/zinc/50/89/62/866508962.db2.gz YHMXXGUAWCVDRL-UHFFFAOYSA-N 0 1 387.440 3.815 20 5 GHBDMN O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC000742231858 867146404 /nfs/dbraw/zinc/14/64/04/867146404.db2.gz BHYYFOGRBKZSMS-UHFFFAOYSA-N 0 1 391.630 3.812 20 5 GHBDMN CCCCc1nc2ccc(NC(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)cc2[nH]1 ZINC000519921431 867462387 /nfs/dbraw/zinc/46/23/87/867462387.db2.gz GLQIGXSPOLXBJO-UHFFFAOYSA-N 0 1 382.376 3.795 20 5 GHBDMN O=C(NCc1ccc(F)cc1C(F)(F)F)c1n[nH]c2ccc([N+](=O)[O-])cc21 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/nfs/dbraw/zinc/24/38/40/882243840.db2.gz SRRFFQJUIMMPOJ-LLVKDONJSA-N 0 1 394.415 3.872 20 5 GHBDMN COc1cc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2C)ccc1[N+](=O)[O-] ZINC000122227740 869123358 /nfs/dbraw/zinc/12/33/58/869123358.db2.gz GJMMVWFTRKYGLK-UHFFFAOYSA-N 0 1 390.339 3.731 20 5 GHBDMN CCCCN1Cc2cccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3C)c2C1 ZINC000544407912 869221420 /nfs/dbraw/zinc/22/14/20/869221420.db2.gz JYPMDXYFJAXNDX-UHFFFAOYSA-N 0 1 389.477 3.820 20 5 GHBDMN CSc1ccc(C(=O)NC[C@H](c2ccc(C)o2)N2CCCC2)cc1[N+](=O)[O-] ZINC000170633881 869245826 /nfs/dbraw/zinc/24/58/26/869245826.db2.gz HPVSRAWXOSVSAJ-MRXNPFEDSA-N 0 1 389.477 3.785 20 5 GHBDMN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H](c1ccc(F)cc1)N(C)C ZINC000446101975 869407733 /nfs/dbraw/zinc/40/77/33/869407733.db2.gz CVNSOFWEZIBSOP-MRXNPFEDSA-N 0 1 379.819 3.728 20 5 GHBDMN CCOc1ccc([C@@H](C)N[C@@H]2CCCN(C3CCCCC3)C2=O)cc1[N+](=O)[O-] ZINC000443096826 869424284 /nfs/dbraw/zinc/42/42/84/869424284.db2.gz VQWQRQFIXSACBE-CRAIPNDOSA-N 0 1 389.496 3.968 20 5 GHBDMN C[C@H](C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000617736176 870839083 /nfs/dbraw/zinc/83/90/83/870839083.db2.gz MTBKZXAQRWDHFH-MSOLQXFVSA-N 0 1 381.476 3.821 20 5 GHBDMN CC(C)[C@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccc(F)cc1F ZINC000540427708 871260769 /nfs/dbraw/zinc/26/07/69/871260769.db2.gz ZBKUADBVHXDZFD-FQEVSTJZSA-N 0 1 389.402 3.749 20 5 GHBDMN O=[N+]([O-])c1cccc(Br)c1CN[C@H]1CCc2ccccc2OC1 ZINC001193796490 871311354 /nfs/dbraw/zinc/31/13/54/871311354.db2.gz GRKPEDYERCLNKA-ZDUSSCGKSA-N 0 1 377.238 3.841 20 5 GHBDMN COc1ccc(Cl)cc1NC(=O)CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181822720 871505881 /nfs/dbraw/zinc/50/58/81/871505881.db2.gz FHWSWVAXUBIWGI-LBPRGKRZSA-N 0 1 377.828 3.855 20 5 GHBDMN Cc1ccc([C@@H](C)NCC(=O)Nc2nc(-c3ccco3)cs2)cc1[N+](=O)[O-] ZINC000181829555 871525647 /nfs/dbraw/zinc/52/56/47/871525647.db2.gz PUOIBUIJFJEVIX-GFCCVEGCSA-N 0 1 386.433 3.909 20 5 GHBDMN CCOC(=O)C1(Nc2nc3c(ccc4ccccc43)nc2Cl)CCN(C)CC1 ZINC001169493199 871552063 /nfs/dbraw/zinc/55/20/63/871552063.db2.gz ZEMBKLFTGYFLEO-UHFFFAOYSA-N 0 1 398.894 3.876 20 5 GHBDMN CCc1ccc(N2CCN(Cc3cc(O)ccc3[N+](=O)[O-])CC2)cc1Cl ZINC001194278993 871574371 /nfs/dbraw/zinc/57/43/71/871574371.db2.gz FVOJHZLTHMGWJS-UHFFFAOYSA-N 0 1 375.856 3.838 20 5 GHBDMN C[C@@H](Cc1cccs1)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462158696 871711433 /nfs/dbraw/zinc/71/14/33/871711433.db2.gz SWPFTRAVWZAPGG-QMMMGPOBSA-N 0 1 395.289 3.873 20 5 GHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(OCC3CC3)cc2)c2ncccc12 ZINC000463530266 871950454 /nfs/dbraw/zinc/95/04/54/871950454.db2.gz BOFICOSOAFHNFT-UHFFFAOYSA-N 0 1 399.428 3.733 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](C)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001194899403 872019884 /nfs/dbraw/zinc/01/98/84/872019884.db2.gz RIZRFUDDSVSXSV-GDBMZVCRSA-N 0 1 393.484 3.586 20 5 GHBDMN Cc1ccc(-c2n[nH]c(SCC(=O)OCc3ccccc3[N+](=O)[O-])n2)cc1 ZINC000767418288 872503623 /nfs/dbraw/zinc/50/36/23/872503623.db2.gz HUUPWASEOQAIEX-UHFFFAOYSA-N 0 1 384.417 3.524 20 5 GHBDMN COc1ccc(CN(C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1F ZINC000768200335 873137964 /nfs/dbraw/zinc/13/79/64/873137964.db2.gz MUISIHGCDMHOKD-UHFFFAOYSA-N 0 1 384.411 3.775 20 5 GHBDMN Cc1ccc(NC(=O)[C@H](N[C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)c2ccccc2)c([N+](=O)[O-])c1 ZINC001196886864 873429839 /nfs/dbraw/zinc/42/98/39/873429839.db2.gz CGPVBOOBYPMYRG-WJYUFWPTSA-N 0 1 397.475 3.985 20 5 GHBDMN COc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)cc1Cl ZINC000768864905 873628826 /nfs/dbraw/zinc/62/88/26/873628826.db2.gz FEVIUPAYSAFTJX-UHFFFAOYSA-N 0 1 377.205 3.711 20 5 GHBDMN O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000448603707 873657321 /nfs/dbraw/zinc/65/73/21/873657321.db2.gz ALWGZXFEPAKAGT-HNNXBMFYSA-N 0 1 393.365 3.618 20 5 GHBDMN C[C@@H]1CN(Cc2cccc(Nc3ncnc4cccc([N+](=O)[O-])c43)c2)C[C@@H](C)O1 ZINC000541577783 873900139 /nfs/dbraw/zinc/90/01/39/873900139.db2.gz YSJSNNCYBFWJAY-HUUCEWRRSA-N 0 1 393.447 3.891 20 5 GHBDMN CN(c1ccccc1)c1ccc(CN2CCC(C3OCCO3)CC2)cc1[N+](=O)[O-] ZINC000769301494 873951221 /nfs/dbraw/zinc/95/12/21/873951221.db2.gz UKSPNBCHOJQRFW-UHFFFAOYSA-N 0 1 397.475 3.948 20 5 GHBDMN CCOC(=O)c1cccc(S(=O)(=O)Nc2cc([N+](=O)[O-])c(Cl)cc2C)c1 ZINC000769631445 874177883 /nfs/dbraw/zinc/17/78/83/874177883.db2.gz SZGVKBSRKZYBQG-UHFFFAOYSA-N 0 1 398.824 3.534 20 5 GHBDMN CSc1ccc([C@@H](C)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1F ZINC000541738594 874197326 /nfs/dbraw/zinc/19/73/26/874197326.db2.gz OFYQPBHQBDGXCW-GFCCVEGCSA-N 0 1 398.481 3.580 20 5 GHBDMN O=C1NCCc2ccc(CNCc3ccc(-c4ccccc4[N+](=O)[O-])s3)cc21 ZINC000541760811 874228093 /nfs/dbraw/zinc/22/80/93/874228093.db2.gz SITLSFITZLWPLS-UHFFFAOYSA-N 0 1 393.468 3.899 20 5 GHBDMN Cc1ccnn1-c1ccccc1NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000541806873 874325873 /nfs/dbraw/zinc/32/58/73/874325873.db2.gz WLDNBJFJURKENU-UHFFFAOYSA-N 0 1 386.433 3.507 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCC(=O)Nc1cccc(Br)c1 ZINC000541846225 874369352 /nfs/dbraw/zinc/36/93/52/874369352.db2.gz CATJOGPCJWDXGO-LBPRGKRZSA-N 0 1 392.253 3.955 20 5 GHBDMN C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000770377600 874619194 /nfs/dbraw/zinc/61/91/94/874619194.db2.gz CFVKWUMKWFQMBH-ZKVFWIFDSA-N 0 1 375.469 3.986 20 5 GHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCO[C@H](c2ccccc2C(F)(F)F)C1 ZINC000541979518 874693761 /nfs/dbraw/zinc/69/37/61/874693761.db2.gz VSSQBYAYGRAOAS-INIZCTEOSA-N 0 1 396.321 3.533 20 5 GHBDMN C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)N1C[C@H]2CCC[C@@H]2C1 ZINC000464899719 874711907 /nfs/dbraw/zinc/71/19/07/874711907.db2.gz UCCLHLPJISATNW-BPLDGKMQSA-N 0 1 386.477 3.777 20 5 GHBDMN O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1NCc1ncc(C(F)(F)F)cn1 ZINC000449469555 874899413 /nfs/dbraw/zinc/89/94/13/874899413.db2.gz HZYZYNOZGVMFSC-SWLSCSKDSA-N 0 1 380.370 3.905 20 5 GHBDMN CC(C)(C)O[C@@H]1C[C@@H](NCc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1n1cccn1 ZINC000449657522 875195570 /nfs/dbraw/zinc/19/55/70/875195570.db2.gz PLJHUNVBDSOADH-ZACQAIPSSA-N 0 1 378.860 3.732 20 5 GHBDMN COc1cccc(-c2nc(C)c(C(=O)OCc3cc([N+](=O)[O-])ccc3OC)[nH]2)c1 ZINC000772106541 875696978 /nfs/dbraw/zinc/69/69/78/875696978.db2.gz OKGCJFKXQNZPIA-UHFFFAOYSA-N 0 1 397.387 3.668 20 5 GHBDMN C[C@H](OC(=O)CN(C)c1ccccc1[N+](=O)[O-])c1nc2ccc(Cl)cc2[nH]1 ZINC000772656038 876068322 /nfs/dbraw/zinc/06/83/22/876068322.db2.gz CXULYUPQVXPEBJ-NSHDSACASA-N 0 1 388.811 3.865 20 5 GHBDMN CN(C)Cc1ccc(CNC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])cc1F ZINC000450300185 876224000 /nfs/dbraw/zinc/22/40/00/876224000.db2.gz QAXRQDFKMYMFMN-UHFFFAOYSA-N 0 1 399.344 3.744 20 5 GHBDMN O=C(NCC1CCN(Cc2cccc([N+](=O)[O-])c2)CC1)OCc1ccccc1 ZINC000786108546 876450497 /nfs/dbraw/zinc/45/04/97/876450497.db2.gz ONTVCTKGFVKCRU-UHFFFAOYSA-N 0 1 383.448 3.733 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@H](NC(=O)OC(C)(C)C)C1CC1 ZINC000850449886 876933749 /nfs/dbraw/zinc/93/37/49/876933749.db2.gz WRTBHXZUKZAYHG-BLLLJJGKSA-N 0 1 379.457 3.557 20 5 GHBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCC(=O)Nc1cccc2cccnc21 ZINC000786812993 876969051 /nfs/dbraw/zinc/96/90/51/876969051.db2.gz NKKXAEJBHOPHJM-RVDMUPIBSA-N 0 1 376.416 3.775 20 5 GHBDMN CCOc1cc(CNC2(C(=O)N(CC)CC)CCCCC2)ccc1[N+](=O)[O-] ZINC000492515402 876980115 /nfs/dbraw/zinc/98/01/15/876980115.db2.gz QIPQBBQWDVVLSF-UHFFFAOYSA-N 0 1 377.485 3.654 20 5 GHBDMN CC(C)NC(=O)c1ccc(NC[C@@H](c2ccco2)N2CCCC2)c([N+](=O)[O-])c1 ZINC000054359276 877067770 /nfs/dbraw/zinc/06/77/70/877067770.db2.gz IWIOSJAFKRDYIY-SFHVURJKSA-N 0 1 386.452 3.575 20 5 GHBDMN Cc1cc(Br)cc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000787289698 877297489 /nfs/dbraw/zinc/29/74/89/877297489.db2.gz VGCBXFZNEWIFQP-UHFFFAOYSA-N 0 1 379.258 3.699 20 5 GHBDMN CCc1nc([C@@H](C)NC(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)n[nH]1 ZINC000477293975 877383929 /nfs/dbraw/zinc/38/39/29/877383929.db2.gz KJEHRXYOMPEEQP-GFCCVEGCSA-N 0 1 397.460 3.918 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCc2nc(C3CCCCC3)[nH]c2C1 ZINC000788244293 877946035 /nfs/dbraw/zinc/94/60/35/877946035.db2.gz BNGZAIYJJQOVFY-HNNXBMFYSA-N 0 1 382.464 3.961 20 5 GHBDMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000179822233 878060298 /nfs/dbraw/zinc/06/02/98/878060298.db2.gz ABNFPZLLCYJOJQ-UHFFFAOYSA-N 0 1 377.263 3.569 20 5 GHBDMN COc1cccc(F)c1[C@H](C)NCCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000179933894 878222427 /nfs/dbraw/zinc/22/24/27/878222427.db2.gz UYEADBALFZZVKK-ZDUSSCGKSA-N 0 1 375.400 3.730 20 5 GHBDMN O=[N+]([O-])c1ccc(CN2CCC3(C=Cc4ccccc4O3)CC2)c([N+](=O)[O-])c1 ZINC000852730219 878557784 /nfs/dbraw/zinc/55/77/84/878557784.db2.gz PLOVJKFKTNSKBI-UHFFFAOYSA-N 0 1 381.388 3.943 20 5 GHBDMN COc1ccc(NC(=O)CCN2CC3(CCC3)[C@@H]2c2ccco2)c([N+](=O)[O-])c1 ZINC000451842577 878593230 /nfs/dbraw/zinc/59/32/30/878593230.db2.gz FSHBMGHXQNEBKT-IBGZPJMESA-N 0 1 385.420 3.752 20 5 GHBDMN CCOc1ccc([C@H](C)N[C@H]2C[C@@H](C)N(c3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000537986250 878627639 /nfs/dbraw/zinc/62/76/39/878627639.db2.gz HUEYYPWPJJKHEW-VKJFTORMSA-N 0 1 383.448 3.838 20 5 GHBDMN CCOc1ccc([C@H](C)N[C@H]2C[C@H](C)N(c3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000537986235 878627833 /nfs/dbraw/zinc/62/78/33/878627833.db2.gz HUEYYPWPJJKHEW-MPGHIAIKSA-N 0 1 383.448 3.838 20 5 GHBDMN O=[N+]([O-])c1cccc(F)c1CN[C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1 ZINC000452021249 878817552 /nfs/dbraw/zinc/81/75/52/878817552.db2.gz IJARRVUIMJEXPX-DOTOQJQBSA-N 0 1 397.372 3.854 20 5 GHBDMN Cc1ccc(SCCNC(=O)CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000538277302 879170793 /nfs/dbraw/zinc/17/07/93/879170793.db2.gz ZSSDJYPWPGYLCG-MRXNPFEDSA-N 0 1 387.505 3.771 20 5 GHBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(-c2cnc(C)o2)cc1 ZINC000520038114 879270305 /nfs/dbraw/zinc/27/03/05/879270305.db2.gz GCSBRPWGOMECKT-UHFFFAOYSA-N 0 1 387.417 3.921 20 5 GHBDMN CC(C)(C)[C@H](Cc1ccccc1C(F)(F)F)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000461271274 879492626 /nfs/dbraw/zinc/49/26/26/879492626.db2.gz KXVLHWGKCQZSCW-ZDUSSCGKSA-N 0 1 384.358 3.724 20 5 GHBDMN C[C@H](N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000538501447 879584106 /nfs/dbraw/zinc/58/41/06/879584106.db2.gz MGMDXRJOJYFXIW-GTNSWQLSSA-N 0 1 377.803 3.843 20 5 GHBDMN O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000031566382 879701674 /nfs/dbraw/zinc/70/16/74/879701674.db2.gz GXHXYKYEDBPXOV-LJQANCHMSA-N 0 1 394.475 3.564 20 5 GHBDMN O=C(c1cc(-c2ccccc2Cl)[nH]n1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000461416745 879764697 /nfs/dbraw/zinc/76/46/97/879764697.db2.gz NTXRSJMXANLQKA-UHFFFAOYSA-N 0 1 398.806 3.673 20 5 GHBDMN C[C@H]1[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CCN1Cc1ccccc1 ZINC000494028016 879836128 /nfs/dbraw/zinc/83/61/28/879836128.db2.gz OUEZBVSIJHPZFF-KBXCAEBGSA-N 0 1 379.416 3.734 20 5 GHBDMN CC1CCC(N(C[C@H]2CCCO2)C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000461432883 879847822 /nfs/dbraw/zinc/84/78/22/879847822.db2.gz CIMCLGRJKYOJCH-ZBCRRDGASA-N 0 1 386.452 3.671 20 5 GHBDMN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000494069002 879892103 /nfs/dbraw/zinc/89/21/03/879892103.db2.gz MALLAPNXMQBZPZ-PBHICJAKSA-N 0 1 387.867 3.949 20 5 GHBDMN C[C@H](CC(C)(C)c1ccccc1)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000520156156 879907783 /nfs/dbraw/zinc/90/77/83/879907783.db2.gz SSODPKCIFOHWBV-CYBMUJFWSA-N 0 1 380.441 3.769 20 5 GHBDMN CN(C)[C@H]1CCOc2c(NC(=O)c3cc(F)c(F)cc3[N+](=O)[O-])cccc21 ZINC000791043680 880169407 /nfs/dbraw/zinc/16/94/07/880169407.db2.gz HNTIRNWUYRXMOU-HNNXBMFYSA-N 0 1 377.347 3.511 20 5 GHBDMN CCOc1ccc(NC(=O)CNC(C)(C)c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000103483475 881216507 /nfs/dbraw/zinc/21/65/07/881216507.db2.gz XBTWOQSOQQMUQX-UHFFFAOYSA-N 0 1 375.400 3.596 20 5 GHBDMN Cc1ccccc1CN1CCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000609874359 883761122 /nfs/dbraw/zinc/76/11/22/883761122.db2.gz UODIYJHMNNOTDV-UHFFFAOYSA-N 0 1 387.867 3.905 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000477162110 883835656 /nfs/dbraw/zinc/83/56/56/883835656.db2.gz FTOZXOLFQZASIS-BYCMXARLSA-N 0 1 399.255 3.518 20 5 GHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(OC(F)F)c(Cl)c2)cc1 ZINC000006328762 884760504 /nfs/dbraw/zinc/76/05/04/884760504.db2.gz GKBQGSQBEGCDTP-UHFFFAOYSA-N 0 1 378.740 3.650 20 5 GHBDMN O=[N+]([O-])c1ccc(N2CCC(CCN3CCOCC3)CC2)nc1-c1ccccc1 ZINC000556412226 884817065 /nfs/dbraw/zinc/81/70/65/884817065.db2.gz ONWVNYRUWNKHIX-UHFFFAOYSA-N 0 1 396.491 3.596 20 5 GHBDMN CN(C)[C@@H](CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000556474307 885025406 /nfs/dbraw/zinc/02/54/06/885025406.db2.gz HFHSZDLDIHSSBC-SFHVURJKSA-N 0 1 389.883 3.945 20 5 GHBDMN CC(C)CCSc1ccc(C(=O)N2CCN(C)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000498711021 885429187 /nfs/dbraw/zinc/42/91/87/885429187.db2.gz RZOIKUUKXDNUCF-OAHLLOKOSA-N 0 1 379.526 3.899 20 5 GHBDMN Cc1ccc(CN2CC[C@@H](N[C@H]3CCCc4ccc([N+](=O)[O-])cc43)C2=O)cc1 ZINC000193354098 885670197 /nfs/dbraw/zinc/67/01/97/885670197.db2.gz PTUJNNFRJKRVDW-LEWJYISDSA-N 0 1 379.460 3.671 20 5 GHBDMN CC(=O)Nc1ccc(-c2csc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)n2)cc1 ZINC000476489785 886063087 /nfs/dbraw/zinc/06/30/87/886063087.db2.gz IIIJRTPSPAAHTE-UHFFFAOYSA-N 0 1 398.400 3.635 20 5 GHBDMN O=[N+]([O-])c1ccc(CN[C@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)c(F)c1 ZINC000153624104 886788172 /nfs/dbraw/zinc/78/81/72/886788172.db2.gz MWGKZRCXBAVEIB-HNNXBMFYSA-N 0 1 395.316 3.750 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccccc1N1CCCCC1 ZINC000032586323 887415009 /nfs/dbraw/zinc/41/50/09/887415009.db2.gz NIAHLMYOONDLNJ-UHFFFAOYSA-N 0 1 375.450 3.694 20 5 GHBDMN CCN1CCN(c2cc(N(C)C(=O)C[C@@H]3CCC[C@H]3C)cc([N+](=O)[O-])c2)CC1 ZINC001132062955 888131615 /nfs/dbraw/zinc/13/16/15/888131615.db2.gz ORNAFAUMTICEQL-SJORKVTESA-N 0 1 388.512 3.526 20 5 GHBDMN CC[C@H](N[C@H](C)Cc1ccc(F)cc1[N+](=O)[O-])c1nnc2n1CCCCC2 ZINC000866254128 888801755 /nfs/dbraw/zinc/80/17/55/888801755.db2.gz MBSZOXKTDDVMEU-CJNGLKHVSA-N 0 1 375.448 3.724 20 5 GHBDMN CC[C@@H](N[C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-])c1nnc2n1CCCCC2 ZINC000866254130 888802054 /nfs/dbraw/zinc/80/20/54/888802054.db2.gz MBSZOXKTDDVMEU-XJKSGUPXSA-N 0 1 375.448 3.724 20 5 GHBDMN Cc1ccccc1CN1CCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC001184571972 913295862 /nfs/dbraw/zinc/29/58/62/913295862.db2.gz IPHKCKCPZSVEBK-UHFFFAOYSA-N 0 1 380.370 3.639 20 5 GHBDMN CCO[C@@H]1C[C@@H](NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])[C@]12CCCO2 ZINC000811490080 889640558 /nfs/dbraw/zinc/64/05/58/889640558.db2.gz LYHDHLQAUNYHRI-IIAWOOMASA-N 0 1 375.252 3.718 20 5 GHBDMN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNC[C@H](O)COc1cccc(F)c1 ZINC000811475210 889661355 /nfs/dbraw/zinc/66/13/55/889661355.db2.gz CSTJMBYSZZCKBS-ZDUSSCGKSA-N 0 1 389.210 3.570 20 5 GHBDMN Cc1nn(CN2CC[C@]3(C2)CCc2ccccc2O3)c2ccc([N+](=O)[O-])cc12 ZINC000811782004 889956385 /nfs/dbraw/zinc/95/63/85/889956385.db2.gz KPACKVKGGULNSV-NRFANRHFSA-N 0 1 378.432 3.680 20 5 GHBDMN CCC(=O)c1ccc(O)c(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)c1 ZINC000812706666 890877920 /nfs/dbraw/zinc/87/79/20/890877920.db2.gz VNBPOYAKTKKZTI-UHFFFAOYSA-N 0 1 387.348 3.670 20 5 GHBDMN COc1ccc([C@H](O)C2CCN(Cc3ccc([N+](=O)[O-])cc3OC)CC2)cc1 ZINC000812860662 891073606 /nfs/dbraw/zinc/07/36/06/891073606.db2.gz TYROQVRTZNOSKD-NRFANRHFSA-N 0 1 386.448 3.558 20 5 GHBDMN COc1cc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2SC)ccc1OCCO ZINC000872024411 891122403 /nfs/dbraw/zinc/12/24/03/891122403.db2.gz RPXXMVLQUBFWSV-ZDUSSCGKSA-N 0 1 392.477 3.547 20 5 GHBDMN COc1ccc(OC)c([C@H](O)[C@H](C)N[C@@H](C)c2c(F)cccc2[N+](=O)[O-])c1 ZINC000872138255 891180869 /nfs/dbraw/zinc/18/08/69/891180869.db2.gz UQOBYNYTYNGLBV-SYTFOFBDSA-N 0 1 378.400 3.524 20 5 GHBDMN Cc1ccc([N+](=O)[O-])c(C)c1CNCc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1 ZINC000873013958 891428457 /nfs/dbraw/zinc/42/84/57/891428457.db2.gz JXJILIFXEQMHTL-HZPDHXFCSA-N 0 1 384.480 3.510 20 5 GHBDMN O=C(NCCc1ccc(Cl)cc1Cl)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000497482951 891680165 /nfs/dbraw/zinc/68/01/65/891680165.db2.gz QNGJOEUWSVVFNP-UHFFFAOYSA-N 0 1 379.203 3.750 20 5 GHBDMN Cc1ccc2oc(C(=O)Nc3cc(N4CCN(C)CC4)ccc3[N+](=O)[O-])cc2c1 ZINC001134197989 892461078 /nfs/dbraw/zinc/46/10/78/892461078.db2.gz RCBYQEYEOYNQSS-UHFFFAOYSA-N 0 1 394.431 3.654 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H](c1ccccc1)C1(CO)CCCC1 ZINC000459529507 893739138 /nfs/dbraw/zinc/73/91/38/893739138.db2.gz MCDRLDIILJFLPO-OAQYLSRUSA-N 0 1 397.475 3.725 20 5 GHBDMN C[C@@H]1C[C@@H]1c1ccc(CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C2CC2)o1 ZINC000563475134 893779932 /nfs/dbraw/zinc/77/99/32/893779932.db2.gz HFCCOKHVGMXLEH-HFTRVMKXSA-N 0 1 386.448 3.716 20 5 GHBDMN CCC[C@@H](N[C@H]1CCN(c2ccccc2OC)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000536845538 893920952 /nfs/dbraw/zinc/92/09/52/893920952.db2.gz LYDQGTMHYFUHHL-MSOLQXFVSA-N 0 1 383.448 3.840 20 5 GHBDMN CC(C)N1C[C@@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1=O ZINC000537317969 894765398 /nfs/dbraw/zinc/76/53/98/894765398.db2.gz NZXQIKQSYKTLQA-LBPRGKRZSA-N 0 1 377.828 3.607 20 5 GHBDMN CC(C)(CNC(=O)c1cccc([N+](=O)[O-])c1Cl)N1CCc2ccccc2C1 ZINC000816904774 895190472 /nfs/dbraw/zinc/19/04/72/895190472.db2.gz AZQDHVOHMLRUQA-UHFFFAOYSA-N 0 1 387.867 3.815 20 5 GHBDMN C[C@@H]1CCC[N@@H+](Cc2ccc(CNc3nccc(C(=O)[O-])c3[N+](=O)[O-])cc2)C1 ZINC000565037590 895361951 /nfs/dbraw/zinc/36/19/51/895361951.db2.gz CEYWYMMDBNPNFP-CQSZACIVSA-N 0 1 384.436 3.532 20 5 GHBDMN COc1cc(CN2CC[C@H](c3nccs3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000880314468 895630836 /nfs/dbraw/zinc/63/08/36/895630836.db2.gz ALYKJIXCUVHRSB-JTQLQIEISA-N 0 1 385.392 3.651 20 5 GHBDMN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000565777404 895869601 /nfs/dbraw/zinc/86/96/01/895869601.db2.gz QHUPBNBRSPQXCE-MAUKXSAKSA-N 0 1 383.448 3.544 20 5 GHBDMN Cc1cc(N2CCC(C[N@H+](C)Cc3ccccc3)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000567978658 897520387 /nfs/dbraw/zinc/52/03/87/897520387.db2.gz NNEUQIHUTBPVKM-UHFFFAOYSA-N 0 1 397.475 3.950 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc2nc(Cl)sc2c1 ZINC000821096358 897739463 /nfs/dbraw/zinc/73/94/63/897739463.db2.gz IGCOJDRQYJLVMS-UHFFFAOYSA-N 0 1 383.838 3.967 20 5 GHBDMN CCC[N@@H+](C)[C@H](CNc1nccc(C(=O)[O-])c1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000568752054 898082133 /nfs/dbraw/zinc/08/21/33/898082133.db2.gz LQCKWSQVBIKXPB-OAHLLOKOSA-N 0 1 392.843 3.836 20 5 GHBDMN CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)N1CCc2ccccc2C1 ZINC000570132499 899145333 /nfs/dbraw/zinc/14/53/33/899145333.db2.gz XEQJJXSGOHXOKZ-OAHLLOKOSA-N 0 1 382.464 3.726 20 5 GHBDMN CCO[C@@H]1C[C@H](N(C)Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C1(C)C ZINC000570609943 899435835 /nfs/dbraw/zinc/43/58/35/899435835.db2.gz GKBSMUJZTCGVEK-JKSUJKDBSA-N 0 1 388.411 3.840 20 5 GHBDMN C[N@H+]1CCC[C@H](CNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000574210593 900820328 /nfs/dbraw/zinc/82/03/28/900820328.db2.gz VZHHRAYABJDBDW-CXAGYDPISA-N 0 1 375.450 3.850 20 5 GHBDMN C[C@@H]1C[C@]2(CC[C@H](CNCc3csc(-c4cccc([N+](=O)[O-])c4)n3)O2)CO1 ZINC000886333071 900938744 /nfs/dbraw/zinc/93/87/44/900938744.db2.gz CISLIRHTSLKIIC-OMWUSAIZSA-N 0 1 389.477 3.535 20 5 GHBDMN Cc1ccc(NC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)cc1[N+](=O)[O-] ZINC000047323282 901834301 /nfs/dbraw/zinc/83/43/01/901834301.db2.gz XVFIFJMRACMAOI-UHFFFAOYSA-N 0 1 386.427 3.828 20 5 GHBDMN Cc1ccc([C@@H](C)N[C@@H](C)c2ccc(S(C)(=O)=O)c(F)c2)cc1[N+](=O)[O-] ZINC000124037715 902015749 /nfs/dbraw/zinc/01/57/49/902015749.db2.gz NLBRDQPJXIEIAP-QWHCGFSZSA-N 0 1 380.441 3.858 20 5 GHBDMN Cc1ccnc([C@H]2CCN([C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)c1 ZINC000576595560 902116854 /nfs/dbraw/zinc/11/68/54/902116854.db2.gz NJUHIPBJRIGNDD-HOCLYGCPSA-N 0 1 379.420 3.899 20 5 GHBDMN COc1cc(CN2CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000778951291 902161152 /nfs/dbraw/zinc/16/11/52/902161152.db2.gz JOZXJFKPIQPQJN-GOEBONIOSA-N 0 1 393.484 3.729 20 5 GHBDMN CC(C)c1nc(CC2CCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)CC2)n[nH]1 ZINC001144539192 902348320 /nfs/dbraw/zinc/34/83/20/902348320.db2.gz DBBLIWNMSYXYIB-UHFFFAOYSA-N 0 1 391.859 3.585 20 5 GHBDMN CC(C)c1nnc(CC2CCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)CC2)[nH]1 ZINC001144539192 902348333 /nfs/dbraw/zinc/34/83/33/902348333.db2.gz DBBLIWNMSYXYIB-UHFFFAOYSA-N 0 1 391.859 3.585 20 5 GHBDMN O=[N+]([O-])c1cccc([C@@H](NC[C@H](O)COc2cccc(F)c2)c2ccccc2)c1 ZINC000779022399 903030844 /nfs/dbraw/zinc/03/08/44/903030844.db2.gz BDWMTGZCNBCDJQ-UNMCSNQZSA-N 0 1 396.418 3.853 20 5 GHBDMN CC(=C(O)Nc1nc(-c2ccccc2Cl)ns1)c1cccc([N+](=O)[O-])c1 ZINC000577690190 903056388 /nfs/dbraw/zinc/05/63/88/903056388.db2.gz JFIMZBQNOSFKQG-SNVBAGLBSA-N 0 1 388.836 3.931 20 5 GHBDMN O=C(NCc1nc2ccc(F)cc2[nH]1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000577968439 903396855 /nfs/dbraw/zinc/39/68/55/903396855.db2.gz OWIMZURJBWMDIS-UHFFFAOYSA-N 0 1 382.273 3.559 20 5 GHBDMN COc1cc(CNCc2cccc(Br)c2C)c([N+](=O)[O-])cc1OC ZINC000578026288 903455966 /nfs/dbraw/zinc/45/59/66/903455966.db2.gz ORMYNDQGIPFQRZ-UHFFFAOYSA-N 0 1 395.253 3.973 20 5 GHBDMN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)c1C ZINC000216353024 904638559 /nfs/dbraw/zinc/63/85/59/904638559.db2.gz CQWRJYPZMHDCSG-UHFFFAOYSA-N 0 1 379.394 3.537 20 5 GHBDMN COC(=O)C1(Nc2cccc(C)c2[N+](=O)[O-])CCN(Cc2ccccc2)CC1 ZINC001171507517 904783997 /nfs/dbraw/zinc/78/39/97/904783997.db2.gz WQZXPFNUKAPAAR-UHFFFAOYSA-N 0 1 383.448 3.523 20 5 GHBDMN C[C@@H](C(=O)Nc1ccc(N2CCCC2)cc1)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000801599719 921178528 /nfs/dbraw/zinc/17/85/28/921178528.db2.gz ANDVBPLQBYLHHT-KRWDZBQOSA-N 0 1 396.491 3.697 20 5 GHBDMN Cc1cccc(C(=O)N2CCN([C@H]3CCc4ccc([N+](=O)[O-])cc4CC3)CC2)c1 ZINC001172915229 905986106 /nfs/dbraw/zinc/98/61/06/905986106.db2.gz MLIMARCGGLNQBT-NRFANRHFSA-N 0 1 393.487 3.609 20 5 GHBDMN C[C@]1(F)CCN(C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C[C@H]1F ZINC001173010064 906086394 /nfs/dbraw/zinc/08/63/94/906086394.db2.gz LOGCYACDPDAKEY-WBVHZDCISA-N 0 1 375.366 3.614 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CCC[C@@H](Oc3ccncc3)C2)c1F ZINC001173193004 906277924 /nfs/dbraw/zinc/27/79/24/906277924.db2.gz NRSLHKRZKTUIHM-GOEBONIOSA-N 0 1 389.427 3.612 20 5 GHBDMN COc1cc(CN[C@H]2CCO[C@H]2c2ccc(F)c(F)c2)c([N+](=O)[O-])cc1F ZINC000192127968 907446060 /nfs/dbraw/zinc/44/60/60/907446060.db2.gz VIEYLGBHAIPXIJ-YJBOKZPZSA-N 0 1 382.338 3.641 20 5 GHBDMN O=[N+]([O-])c1ccc(CN[C@@H]2CCO[C@H]2c2ccccc2)c(Br)c1 ZINC001175312324 907495904 /nfs/dbraw/zinc/49/59/04/907495904.db2.gz PFTSDTMZUVQOMU-SJORKVTESA-N 0 1 377.238 3.977 20 5 GHBDMN COc1cc(CN[C@@H]2C[C@H](C)O[C@H]2C)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC001179347721 909475905 /nfs/dbraw/zinc/47/59/05/909475905.db2.gz BTZMUFFRDMDLHM-RLFYNMQTSA-N 0 1 386.448 3.838 20 5 GHBDMN O=[N+]([O-])c1cccc(Br)c1CNCC[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC001179559624 909594701 /nfs/dbraw/zinc/59/47/01/909594701.db2.gz OADRTXGZTBRLJS-RNCFNFMXSA-N 0 1 397.191 3.947 20 5 GHBDMN Cc1ccc([N+](=O)[O-])c(C)c1CN1CCC(NC(=O)NC2CCCCC2)CC1 ZINC001180064462 909921836 /nfs/dbraw/zinc/92/18/36/909921836.db2.gz JZHSDCLVIGOAOB-UHFFFAOYSA-N 0 1 388.512 3.808 20 5 GHBDMN COc1ccc2cc(NS(=O)(=O)c3ccc([N+](=O)[O-])c(OC)c3)ccc2c1 ZINC000795370655 910093116 /nfs/dbraw/zinc/09/31/16/910093116.db2.gz WCGBQXSGXFQXRM-UHFFFAOYSA-N 0 1 388.401 3.566 20 5 GHBDMN CC[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1nc(C(F)(F)F)cs1 ZINC000269260803 910198401 /nfs/dbraw/zinc/19/84/01/910198401.db2.gz AZXMXWXUBIMURY-SNVBAGLBSA-N 0 1 375.328 3.657 20 5 GHBDMN CC(C)C[C@@H]1CCCN1CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000795415573 910268068 /nfs/dbraw/zinc/26/80/68/910268068.db2.gz QPZUVQBGZWDZHK-ZDUSSCGKSA-N 0 1 396.285 3.781 20 5 GHBDMN O=C([O-])[C@@]1(c2ccccc2)CC[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000901825438 921602451 /nfs/dbraw/zinc/60/24/51/921602451.db2.gz FTDONZQNLSMELE-SFHVURJKSA-N 0 1 394.349 3.842 20 5 GHBDMN CC(C)c1n[nH]c(COC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])n1 ZINC000795573549 911294606 /nfs/dbraw/zinc/29/46/06/911294606.db2.gz OJTDQZACDPUQMJ-UHFFFAOYSA-N 0 1 396.403 3.772 20 5 GHBDMN CC(C)c1nc(COC(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])n[nH]1 ZINC000795573549 911294621 /nfs/dbraw/zinc/29/46/21/911294621.db2.gz OJTDQZACDPUQMJ-UHFFFAOYSA-N 0 1 396.403 3.772 20 5 GHBDMN CCc1nn(C)c(NC2CCN(Cc3ccc(Cl)cc3)CC2)c1[N+](=O)[O-] ZINC000092827440 911833882 /nfs/dbraw/zinc/83/38/82/911833882.db2.gz AJJIGIXHHZIFRN-UHFFFAOYSA-N 0 1 377.876 3.621 20 5 GHBDMN C[C@H]1C[C@@H](c2ccc(F)cc2)CN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000303705065 915062364 /nfs/dbraw/zinc/06/23/64/915062364.db2.gz BQELCYSPXPPANA-WMLDXEAASA-N 0 1 383.423 3.501 20 5 GHBDMN CN(C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)c1cccs1 ZINC000292580120 915749965 /nfs/dbraw/zinc/74/99/65/915749965.db2.gz FWAUTGOIOWFUDY-ZDUSSCGKSA-N 0 1 387.383 3.708 20 5 GHBDMN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@H]1c1cccc(Br)c1 ZINC001190407440 917316811 /nfs/dbraw/zinc/31/68/11/917316811.db2.gz OAMVCFMXUIVQRW-OAHLLOKOSA-N 0 1 379.258 3.699 20 5 GHBDMN COc1cc(CN2CCN(Cc3ccccc3)C(C)(C)C2)c([N+](=O)[O-])cc1F ZINC001190883536 917627591 /nfs/dbraw/zinc/62/75/91/917627591.db2.gz HTOGUCJUJVVESP-UHFFFAOYSA-N 0 1 387.455 3.839 20 5 GHBDMN C[C@H](NC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000296367474 918191216 /nfs/dbraw/zinc/19/12/16/918191216.db2.gz DWTYKDOAQQXLHT-HOTGVXAUSA-N 0 1 397.479 3.576 20 5 GHBDMN CCCCCCNC(=O)[C@H]1CCCN(Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000748316202 923569807 /nfs/dbraw/zinc/56/98/07/923569807.db2.gz ACMSZEGCXGQYJH-KRWDZBQOSA-N 0 1 377.485 3.512 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2nnc(CN3CCCC[C@H]3[C@H](O)c3ccccc3)o2)cc1 ZINC000369827940 923651204 /nfs/dbraw/zinc/65/12/04/923651204.db2.gz BHQJRMCAGHDUCD-AZUAARDMSA-N 0 1 394.431 3.733 20 5 GHBDMN CC(C)c1ccc(CN[C@@H](C)c2cccc(NS(C)(=O)=O)c2)cc1[N+](=O)[O-] ZINC000748820582 923844941 /nfs/dbraw/zinc/84/49/41/923844941.db2.gz SPVVJIMFCCIJQK-AWEZNQCLSA-N 0 1 391.493 3.941 20 5 GHBDMN Cc1csc(-c2cccc(S(=O)(=O)Nc3ccc([N+](=O)[O-])cc3)c2)n1 ZINC000410344651 925555244 /nfs/dbraw/zinc/55/52/44/925555244.db2.gz YQNYAFFWUHTQST-UHFFFAOYSA-N 0 1 375.431 3.828 20 5 GHBDMN O=C(Oc1ccccc1)N1CCCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000725811121 926453202 /nfs/dbraw/zinc/45/32/02/926453202.db2.gz CWESLEWXBFDSEJ-UHFFFAOYSA-N 0 1 399.447 3.570 20 5 GHBDMN O=C(NCc1n[nH]c(-c2ccccc2)n1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000726775872 926848415 /nfs/dbraw/zinc/84/84/15/926848415.db2.gz WFXXGSYXKXNKNY-UHFFFAOYSA-N 0 1 379.401 3.525 20 5 GHBDMN O=C(NCc1nc(-c2ccccc2)n[nH]1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000726775872 926848419 /nfs/dbraw/zinc/84/84/19/926848419.db2.gz WFXXGSYXKXNKNY-UHFFFAOYSA-N 0 1 379.401 3.525 20 5 GHBDMN CCO[C@H]1C[C@@H](N(C)Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1(CC)CC ZINC000751959312 928512307 /nfs/dbraw/zinc/51/23/07/928512307.db2.gz KNGWCMSMZAJAPE-SJORKVTESA-N 0 1 375.473 3.521 20 5 GHBDMN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000467697824 929312852 /nfs/dbraw/zinc/31/28/52/929312852.db2.gz ZOPLJDMYHGCACL-BQFCYCMXSA-N 0 1 399.516 3.855 20 5 GHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000753510460 929384048 /nfs/dbraw/zinc/38/40/48/929384048.db2.gz DLVPDQIYOFXLTA-LBPRGKRZSA-N 0 1 380.322 3.949 20 5 GHBDMN CN(C)[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC000469497831 929943225 /nfs/dbraw/zinc/94/32/25/929943225.db2.gz ORAFQPUQMFUXSV-INIZCTEOSA-N 0 1 399.344 3.785 20 5 GHBDMN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000758149140 929948598 /nfs/dbraw/zinc/94/85/98/929948598.db2.gz WVKXCYBARURLKI-UHFFFAOYSA-N 0 1 385.785 3.574 20 5 GHBDMN Cc1cc(F)cc(C(=O)NC[C@@H](c2ccc(Cl)cc2)N(C)C)c1[N+](=O)[O-] ZINC000758508644 930065927 /nfs/dbraw/zinc/06/59/27/930065927.db2.gz PGVNJKFHHGODPC-INIZCTEOSA-N 0 1 379.819 3.728 20 5 GHBDMN Cc1cc(-c2noc(-c3ccn(-c4ccccc4[N+](=O)[O-])n3)n2)cc2nc[nH]c21 ZINC000546440704 930166851 /nfs/dbraw/zinc/16/68/51/930166851.db2.gz SBSQYOPHSAYRRH-UHFFFAOYSA-N 0 1 387.359 3.682 20 5 GHBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCC[C@](C)(O)CC2)cc1OC ZINC000471076110 931135738 /nfs/dbraw/zinc/13/57/38/931135738.db2.gz SVZWOKSVCSKPGQ-YWZLYKJASA-N 0 1 380.485 3.765 20 5 GHBDMN O=C(OCc1ccc([N+](=O)[O-])c(F)c1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000783783780 931654612 /nfs/dbraw/zinc/65/46/12/931654612.db2.gz DBKFIVKPFWUZOB-MRXNPFEDSA-N 0 1 390.386 3.828 20 5 GHBDMN O=C(OCc1ccc([N+](=O)[O-])c(F)c1)c1ccc(-c2nnc(C3CC3)[nH]2)cc1 ZINC000783982925 931741016 /nfs/dbraw/zinc/74/10/16/931741016.db2.gz QLBDZXIJMUIARQ-UHFFFAOYSA-N 0 1 382.351 3.753 20 5 GHBDMN Cc1ccc(N(C)[C@@H]2CCCN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)cc1 ZINC000784375762 931874237 /nfs/dbraw/zinc/87/42/37/931874237.db2.gz VEBROOQMIDNZJV-HXUWFJFHSA-N 0 1 397.475 3.871 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1COC(=O)c1ccc(-c2nnc(C3CC3)[nH]2)cc1 ZINC000797474266 932296939 /nfs/dbraw/zinc/29/69/39/932296939.db2.gz GFGXEWPXGUAJHK-UHFFFAOYSA-N 0 1 394.387 3.623 20 5 GHBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C[NH+]2CCCC2)c1 ZINC001116702496 933712415 /nfs/dbraw/zinc/71/24/15/933712415.db2.gz GXIPXPDNEYIQJU-UHFFFAOYSA-N 0 1 389.477 3.554 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2nc(CNc3cnccc3-n3cccn3)cs2)c1 ZINC000561576077 934282637 /nfs/dbraw/zinc/28/26/37/934282637.db2.gz NJUVLBSKCHEXIA-UHFFFAOYSA-N 0 1 378.417 3.911 20 5 GHBDMN O=C(NC1CCN(Cc2ccc(F)cc2)CC1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001119767382 934393084 /nfs/dbraw/zinc/39/30/84/934393084.db2.gz VHCZPHPTYDPFEP-NHCUHLMSSA-N 0 1 397.450 3.618 20 5 GHBDMN O=[N+]([O-])c1ccc(CN(Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)cc1 ZINC000828807155 935716356 /nfs/dbraw/zinc/71/63/56/935716356.db2.gz JMFJFRJWTLPVCK-UAPYVXQJSA-N 0 1 385.420 3.809 20 5 GHBDMN CC(C)c1[nH]c(C[NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])cc1C(=O)[O-] ZINC001591918684 976385038 /nfs/dbraw/zinc/38/50/38/976385038.db2.gz UJJPLECWURTRKM-UHFFFAOYSA-N 0 1 396.241 3.797 20 5 GHBDMN CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2C3CCC2(C(=O)[O-])CC3)cc1OC ZINC001594964097 982716493 /nfs/dbraw/zinc/71/64/93/982716493.db2.gz CWLNPFMBXDSBSH-JUJQQSPASA-N 0 1 392.452 3.610 20 5 GHBDMN C[C@H]([NH2+][C@@H](C(=O)[O-])c1ccccc1Br)c1ccccc1[N+](=O)[O-] ZINC001599901066 984826277 /nfs/dbraw/zinc/82/62/77/984826277.db2.gz LCRGLQVSMUGIGF-ZUZCIYMTSA-N 0 1 379.210 3.834 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)ccc1-c1nc(Cc2nnc(-c3ccccc3)[nH]2)no1 ZINC000545085053 1015507427 /nfs/dbraw/zinc/50/74/27/1015507427.db2.gz COYZDYDOXIDYQB-UHFFFAOYSA-N 0 1 382.767 3.674 20 5 GHBDMN C[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001598436393 991828491 /nfs/dbraw/zinc/82/84/91/991828491.db2.gz FURHCAYRIFOQEM-CVEARBPZSA-N 0 1 399.230 3.693 20 5 GHBDMN C[C@@H](c1cc2ccccc2o1)[N@@H+](C)Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001593686665 996123972 /nfs/dbraw/zinc/12/39/72/996123972.db2.gz LROQTTYUPBWALZ-ZDUSSCGKSA-N 0 1 384.388 3.997 20 5 GHBDMN CC1=CCN(CCNC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000545869243 1016550329 /nfs/dbraw/zinc/55/03/29/1016550329.db2.gz HKUZFSALKFLYIJ-UHFFFAOYSA-N 0 1 394.475 3.589 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)c(Cl)cc1O[C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001227126117 1032280674 /nfs/dbraw/zinc/28/06/74/1032280674.db2.gz OMQVTUNCRBHAJG-HAQNSBGRSA-N 0 1 375.252 3.924 20 5 GHBDMN C[C@H](c1ccccn1)[N@H+]1CCC[C@@H](Oc2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC001227219521 1032327484 /nfs/dbraw/zinc/32/74/84/1032327484.db2.gz HZTWWCMKFBGHEF-GDBMZVCRSA-N 0 1 394.431 3.848 20 5 GHBDMN C[C@H](c1ccccn1)N1CCC[C@@H](Oc2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC001227219521 1032327501 /nfs/dbraw/zinc/32/75/01/1032327501.db2.gz HZTWWCMKFBGHEF-GDBMZVCRSA-N 0 1 394.431 3.848 20 5 GHBDMN Cc1[nH]ncc1C1CCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000560802275 1017723474 /nfs/dbraw/zinc/72/34/74/1017723474.db2.gz XMHAJVNMEZDKMQ-UHFFFAOYSA-N 0 1 382.342 3.665 20 5 GHBDMN CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(Cc1ccc([N+](=O)[O-])c(F)c1)C2 ZINC000934612946 1018915243 /nfs/dbraw/zinc/91/52/43/1018915243.db2.gz YTACLUDIDNODLC-KKUMJFAQSA-N 0 1 379.432 3.612 20 5 GHBDMN O=[N+]([O-])c1cccc(CN2CCC(O)(c3cccc(OC(F)(F)F)c3)CC2)c1 ZINC000779470892 1020814780 /nfs/dbraw/zinc/81/47/80/1020814780.db2.gz CKWLNIQUMHOGGL-UHFFFAOYSA-N 0 1 396.365 3.977 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1CNc1cc(C)cc(CNC(=O)C(F)(F)F)c1 ZINC000834668220 1021356151 /nfs/dbraw/zinc/35/61/51/1021356151.db2.gz IONGABPYJHJFSY-UHFFFAOYSA-N 0 1 397.353 3.702 20 5 GHBDMN CN(CCc1cccc([N+](=O)[O-])c1)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000802658138 1021515626 /nfs/dbraw/zinc/51/56/26/1021515626.db2.gz LDFFDBSFHWZDTP-UHFFFAOYSA-N 0 1 381.335 3.779 20 5 GHBDMN O=c1[nH]c(C2CC2)nc(O[C@@H]2CCc3cc(Br)ccc32)c1[N+](=O)[O-] ZINC001228605203 1033003662 /nfs/dbraw/zinc/00/36/62/1033003662.db2.gz CCOKLGKSSLNTTK-GFCCVEGCSA-N 0 1 392.209 3.797 20 5 GHBDMN O=[N+]([O-])c1ccccc1-c1ccc(NCC2CN(Cc3ccccc3)C2)nn1 ZINC001156403301 1033019461 /nfs/dbraw/zinc/01/94/61/1033019461.db2.gz SVXPWDPKGPWMOS-UHFFFAOYSA-N 0 1 375.432 3.596 20 5 GHBDMN CC[C@H](NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1nc(C(F)(F)F)cs1 ZINC000754491114 1022736713 /nfs/dbraw/zinc/73/67/13/1022736713.db2.gz BKLFFNUZBUVLPZ-NWDGAFQWSA-N 0 1 375.372 3.844 20 5 GHBDMN COC(=O)c1cc([N+](=O)[O-])c(O[C@H](c2ccccc2)C2CCOCC2)cc1O ZINC001228813441 1033113090 /nfs/dbraw/zinc/11/30/90/1033113090.db2.gz CORVXDXOQVIYLM-LJQANCHMSA-N 0 1 387.388 3.634 20 5 GHBDMN C[C@@H](C(=O)OC[C@H]1CCCN1Cc1ccco1)c1ccc([N+](=O)[O-])cc1F ZINC000755745508 1023359815 /nfs/dbraw/zinc/35/98/15/1023359815.db2.gz DUVNVGARBSJWOT-UKRRQHHQSA-N 0 1 376.384 3.638 20 5 GHBDMN Cc1cc(F)cc(C(=O)N2CCN(Cc3ccccc3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000836921458 1023468669 /nfs/dbraw/zinc/46/86/69/1023468669.db2.gz ZZBASCXVBAIXKV-OAHLLOKOSA-N 0 1 385.439 3.636 20 5 GHBDMN CCCCOC[C@@H](C)OC[C@H](C)Oc1nc(C(F)(F)F)cc(O)c1[N+](=O)[O-] ZINC001228860320 1033144595 /nfs/dbraw/zinc/14/45/95/1033144595.db2.gz TXFUOJZPEKPPNC-MNOVXSKESA-N 0 1 396.362 3.703 20 5 GHBDMN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)c1nc2ccc(OC)cc2[nH]1 ZINC001138594757 1025076763 /nfs/dbraw/zinc/07/67/63/1025076763.db2.gz AAEGUOKGJHCFFB-UKRRQHHQSA-N 0 1 396.447 3.926 20 5 GHBDMN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)c1nc2ccc(OC)cc2[nH]1 ZINC001138594755 1025077873 /nfs/dbraw/zinc/07/78/73/1025077873.db2.gz AAEGUOKGJHCFFB-DZGCQCFKSA-N 0 1 396.447 3.926 20 5 GHBDMN COc1cc(CN2CC[C@H](C)[C@@H](CNC(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000839092305 1025590881 /nfs/dbraw/zinc/59/08/81/1025590881.db2.gz QYNXKGCPOUKVPJ-HOCLYGCPSA-N 0 1 393.484 3.586 20 5 GHBDMN O=[N+]([O-])c1ccccc1OCCN1CCC([C@@H](O)c2cc(F)ccc2F)CC1 ZINC000839159185 1025667449 /nfs/dbraw/zinc/66/74/49/1025667449.db2.gz MPBPOBKWBMSZTN-HXUWFJFHSA-N 0 1 392.402 3.697 20 5 GHBDMN O=[N+]([O-])c1cc2nc(Cl)ccc2cc1N1CCN(CCc2ccncc2)CC1 ZINC001165060513 1026581152 /nfs/dbraw/zinc/58/11/52/1026581152.db2.gz YDWSZBVEMWPXEX-UHFFFAOYSA-N 0 1 397.866 3.556 20 5 GHBDMN C[C@@](CO)(NCc1cc2ccnc(Cl)c2s1)c1cccc([N+](=O)[O-])c1 ZINC001203373219 1027299736 /nfs/dbraw/zinc/29/97/36/1027299736.db2.gz NUSIRLCXZHIHNL-KRWDZBQOSA-N 0 1 377.853 3.855 20 5 GHBDMN CN1CCN(c2ccc(-c3noc(-c4ccc([N+](=O)[O-])cc4Cl)n3)cc2)CC1 ZINC001215685714 1029347597 /nfs/dbraw/zinc/34/75/97/1029347597.db2.gz JLEGLXMBDUOGNM-UHFFFAOYSA-N 0 1 399.838 3.717 20 5 GHBDMN COc1ccc(Br)cc1-c1noc(-c2cc(O)cc([N+](=O)[O-])c2)n1 ZINC001216924480 1030004111 /nfs/dbraw/zinc/00/41/11/1030004111.db2.gz MJZWBKNONAYBTG-UHFFFAOYSA-N 0 1 392.165 3.789 20 5 GHBDMN Cc1cc(C)cc(-c2noc(-c3cc([N+](=O)[O-])cc(N4CCN(C)CC4)c3)n2)c1 ZINC001217018767 1030094934 /nfs/dbraw/zinc/09/49/34/1030094934.db2.gz YZHZNQWCOIPUJG-UHFFFAOYSA-N 0 1 393.447 3.680 20 5 GHBDMN COC(=O)c1cc([N+](=O)[O-])ccc1CO[C@H]1CCCN([C@H](C)c2ccccn2)C1 ZINC001223448016 1030579367 /nfs/dbraw/zinc/57/93/67/1030579367.db2.gz FBHJIQFCGCMZIS-QAPCUYQASA-N 0 1 399.447 3.519 20 5 GHBDMN CC1(C)CN(Cc2ccccc2)C[C@H](COCCc2ccc([N+](=O)[O-])cc2)O1 ZINC001224333245 1030971413 /nfs/dbraw/zinc/97/14/13/1030971413.db2.gz CWPOLRJHFSXJBC-OAQYLSRUSA-N 0 1 384.476 3.834 20 5 GHBDMN C[C@@H](c1ccccn1)N1CC[C@@H](Oc2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC001225893084 1031679435 /nfs/dbraw/zinc/67/94/35/1031679435.db2.gz LSVWPERXVFNVRI-WCQYABFASA-N 0 1 382.342 3.618 20 5 GHBDMN CN1CCN(c2ccc([N+](=O)[O-])c(NC(=O)N3CCCCCCCC3)c2)CC1 ZINC001220187249 1031824984 /nfs/dbraw/zinc/82/49/84/1031824984.db2.gz UABZDYXHQYMWKH-UHFFFAOYSA-N 0 1 389.500 3.535 20 5 GHBDMN COc1c(F)cc(-c2noc(-c3cc(-c4ccc([N+](=O)[O-])cc4)n[nH]3)n2)cc1F ZINC001213008416 1033577894 /nfs/dbraw/zinc/57/78/94/1033577894.db2.gz JWQCXQIXBNEBKJ-UHFFFAOYSA-N 0 1 399.313 3.989 20 5 GHBDMN COc1c(F)ccc(-c2noc(-c3cc(-c4ccc([N+](=O)[O-])cc4)n[nH]3)n2)c1F ZINC001213008548 1033594730 /nfs/dbraw/zinc/59/47/30/1033594730.db2.gz QDTNSDMKVNCTIF-UHFFFAOYSA-N 0 1 399.313 3.989 20 5 GHBDMN CCOC(=O)N1CCC[C@@H](Oc2ccc3c(c2)oc(=O)c2cc(O)ccc32)C1 ZINC001229798188 1033723304 /nfs/dbraw/zinc/72/33/04/1033723304.db2.gz UDJPTFGOINJEEL-OAHLLOKOSA-N 0 1 383.400 3.652 20 5 GHBDMN COC(=O)c1cc([N+](=O)[O-])c(C)cc1O[C@@H]1CCCN([C@H](C)c2ccccn2)C1 ZINC001229959823 1033818387 /nfs/dbraw/zinc/81/83/87/1033818387.db2.gz GRUXQGRNIKUFLV-HZPDHXFCSA-N 0 1 399.447 3.689 20 5 GHBDMN CC(C)(C)OC(=O)N1CC[C@H](F)[C@@H](Oc2cc3[nH]ncc3cc2[N+](=O)[O-])CC1 ZINC001230596814 1034139480 /nfs/dbraw/zinc/13/94/80/1034139480.db2.gz UGZLTBIFZKZMNH-WFASDCNBSA-N 0 1 394.403 3.588 20 5 GHBDMN C[C@@H](Oc1cc2[nH]ncc2cc1[N+](=O)[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001230596865 1034139871 /nfs/dbraw/zinc/13/98/71/1034139871.db2.gz VTMYNQUYAUBRCK-GFCCVEGCSA-N 0 1 390.440 3.886 20 5 GHBDMN Cc1ccccc1CN1CCO[C@H](CNCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001207197495 1034168993 /nfs/dbraw/zinc/16/89/93/1034168993.db2.gz QTWYZKMTONHMMO-LJQANCHMSA-N 0 1 389.883 3.547 20 5 GHBDMN COc1c(Br)cccc1[C@H](C)Oc1nc(C)cc(O)c1[N+](=O)[O-] ZINC001231261670 1034491295 /nfs/dbraw/zinc/49/12/95/1034491295.db2.gz CCHQGYUAKODYEO-VIFPVBQESA-N 0 1 383.198 3.915 20 5 GHBDMN N[C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)N1CCC(n2cccn2)CC1 ZINC001160846373 1035078279 /nfs/dbraw/zinc/07/82/79/1035078279.db2.gz PVVICQMUBJCEJA-DEOSSOPVSA-N 0 1 398.510 3.923 20 5 GHBDMN O=[N+]([O-])c1ccc2nc(N[C@H]3CCN(Cc4cccc(Cl)c4)C3)cnc2c1 ZINC001161183090 1035169211 /nfs/dbraw/zinc/16/92/11/1035169211.db2.gz PCSHVWYCJNPIBW-HNNXBMFYSA-N 0 1 383.839 3.878 20 5 GHBDMN COC(=O)[C@@H](C)c1cccc(NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)c1 ZINC001161693311 1035285989 /nfs/dbraw/zinc/28/59/89/1035285989.db2.gz FXROAGICQBPOTL-LBPRGKRZSA-N 0 1 394.387 3.514 20 5 GHBDMN O=C(Nc1nnc([C@H]2CCCO2)s1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001462324019 1070171906 /nfs/dbraw/zinc/17/19/06/1070171906.db2.gz JYKZIFWXJBFUPG-SECBINFHSA-N 0 1 389.220 3.857 20 5 GHBDMN O=[N+]([O-])c1c(F)cc(OC[C@@H]2CN(Cc3ccccc3)CCCO2)cc1F ZINC001233752260 1039590757 /nfs/dbraw/zinc/59/07/57/1039590757.db2.gz CDDSRGHLJFCBHS-INIZCTEOSA-N 0 1 378.375 3.543 20 5 GHBDMN COc1cc(CC[N+](=O)[O-])ccc1O[C@H]1CCCN([C@@H](C)c2ccccn2)C1 ZINC001233985496 1039744884 /nfs/dbraw/zinc/74/48/84/1039744884.db2.gz YVWBRFDHNQIWKD-WMZOPIPTSA-N 0 1 385.464 3.514 20 5 GHBDMN O=[N+]([O-])c1ccc(N2CCC(N3CCN(c4ccccc4F)CC3)CC2)cc1 ZINC001254478388 1040263945 /nfs/dbraw/zinc/26/39/45/1040263945.db2.gz AVFRYEILVLDVFV-UHFFFAOYSA-N 0 1 384.455 3.525 20 5 GHBDMN COc1c(O)ccc2c(=O)c3c(O[C@@H]4CCC[N@H+](C(C)C)C4)cc([O-])cc3oc21 ZINC001234752130 1040279085 /nfs/dbraw/zinc/27/90/85/1040279085.db2.gz UZNFWWABHCWBSC-CQSZACIVSA-N 0 1 399.443 3.618 20 5 GHBDMN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C ZINC001254550787 1040318383 /nfs/dbraw/zinc/31/83/83/1040318383.db2.gz QXBHSAQGCQILEZ-JKSUJKDBSA-N 0 1 377.485 3.857 20 5 GHBDMN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCC(Oc2ccc(Cl)nn2)CC1 ZINC001254567570 1040343841 /nfs/dbraw/zinc/34/38/41/1040343841.db2.gz XBOUJZDZJATXMD-CYBMUJFWSA-N 0 1 376.844 3.513 20 5 GHBDMN COc1ccc(-c2nc(CN[C@H]3Cc4ccc([N+](=O)[O-])cc4C3)cs2)cc1 ZINC001254581417 1040356886 /nfs/dbraw/zinc/35/68/86/1040356886.db2.gz JVBSLAGFAQNYKA-INIZCTEOSA-N 0 1 381.457 3.984 20 5 GHBDMN C[C@H](NC(=O)N1CCN(Cc2ccccc2)C(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC001255322283 1040946516 /nfs/dbraw/zinc/94/65/16/1040946516.db2.gz TYYQHNMFQBYRPH-KRWDZBQOSA-N 0 1 396.491 3.962 20 5 GHBDMN C[C@@H]1C[C@]2(CC[C@@H](CNCc3cc(Cl)cc(Cl)c3[N+](=O)[O-])O2)CO1 ZINC001462594452 1070398809 /nfs/dbraw/zinc/39/88/09/1070398809.db2.gz YMMVGDUTZOORNI-AKWBHNSASA-N 0 1 375.252 3.718 20 5 GHBDMN C[C@@H](C(=O)Nc1nc2cccc(Br)c2[nH]1)c1cccc([N+](=O)[O-])c1 ZINC001462710995 1070490027 /nfs/dbraw/zinc/49/00/27/1070490027.db2.gz OGALJAAHTZSSJQ-SECBINFHSA-N 0 1 389.209 3.976 20 5 GHBDMN CC[C@H]1CN(C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)CCN1Cc1ccccc1 ZINC001296188580 1045276806 /nfs/dbraw/zinc/27/68/06/1045276806.db2.gz LSLMSDRKNJYXFW-AEFFLSMTSA-N 0 1 399.466 3.960 20 5 GHBDMN O=C(Nc1c[nH]nn1)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 ZINC001296612699 1045344638 /nfs/dbraw/zinc/34/46/38/1045344638.db2.gz HAUHDCLXNUTFTL-UHFFFAOYSA-N 0 1 398.429 3.726 20 5 GHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC2(CC2)c2ccc(Br)cc21 ZINC001301021706 1046294757 /nfs/dbraw/zinc/29/47/57/1046294757.db2.gz YRKCPMUTKOMWIL-UHFFFAOYSA-N 0 1 389.205 3.755 20 5 GHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[C@H](CNc2ccc(Cl)cc2)C1 ZINC001303918546 1047533948 /nfs/dbraw/zinc/53/39/48/1047533948.db2.gz PURZHSYSAXKQEC-CYBMUJFWSA-N 0 1 389.839 3.918 20 5 GHBDMN O=C(N[C@@H](Cc1ccccc1)c1ccccn1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001463221307 1070920677 /nfs/dbraw/zinc/92/06/77/1070920677.db2.gz HARVZWLJEVTZKO-IBGZPJMESA-N 0 1 387.399 3.580 20 5 GHBDMN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001265828929 1047680734 /nfs/dbraw/zinc/68/07/34/1047680734.db2.gz VSSSFSLBPPOHHB-QGZVFWFLSA-N 0 1 385.439 3.779 20 5 GHBDMN O=C(CCCc1ccccc1Cl)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC001306508898 1048711791 /nfs/dbraw/zinc/71/17/91/1048711791.db2.gz BZOMEFWSGWCJEX-UHFFFAOYSA-N 0 1 385.811 3.995 20 5 GHBDMN CCOc1ccc(CN2CCN(c3nccc4c3cccc4[N+](=O)[O-])CC2)cc1 ZINC001306919955 1048959897 /nfs/dbraw/zinc/95/98/97/1048959897.db2.gz JPMCJJBXGXPKAN-UHFFFAOYSA-N 0 1 392.459 3.864 20 5 GHBDMN O=[N+]([O-])c1ccc(N[C@@H]2CCCC[C@@H]2N2CCOCC2)nc1-c1ccccc1 ZINC001306996050 1048997909 /nfs/dbraw/zinc/99/79/09/1048997909.db2.gz YBFJORQBILXIDD-MSOLQXFVSA-N 0 1 382.464 3.712 20 5 GHBDMN C[C@H]1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001307817872 1049613199 /nfs/dbraw/zinc/61/31/99/1049613199.db2.gz NAPQIBDRXIKLKX-ZFWWWQNUSA-N 0 1 381.448 3.717 20 5 GHBDMN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC001290312307 1049799389 /nfs/dbraw/zinc/79/93/89/1049799389.db2.gz IBEJJSYPAYIUFQ-MRXNPFEDSA-N 0 1 377.441 3.671 20 5 GHBDMN CC(C)Oc1cc(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC001290803716 1049928317 /nfs/dbraw/zinc/92/83/17/1049928317.db2.gz OYMUYVIHSUQULH-LJQANCHMSA-N 0 1 397.475 3.776 20 5 GHBDMN COc1cccc2c1CC[C@]2(CO)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001308502561 1049991833 /nfs/dbraw/zinc/99/18/33/1049991833.db2.gz VAPIVNCKJYCTFD-JOCHJYFZSA-N 0 1 394.427 3.787 20 5 GHBDMN CCc1noc([C@@H]2CC[C@H](NCc3c(Br)cccc3[N+](=O)[O-])C2)n1 ZINC001308540366 1050003406 /nfs/dbraw/zinc/00/34/06/1050003406.db2.gz FVTFTLQWLRZOIM-MNOVXSKESA-N 0 1 395.257 3.729 20 5 GHBDMN COC(=O)c1ccc(CNCc2cccc([N+](=O)[O-])c2C)cc1Br ZINC001308685856 1050059909 /nfs/dbraw/zinc/05/99/09/1050059909.db2.gz JMSUNRNCPQYQBT-UHFFFAOYSA-N 0 1 393.237 3.742 20 5 GHBDMN C[C@H](CNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)Cc1cccs1 ZINC001309250056 1050519610 /nfs/dbraw/zinc/51/96/10/1050519610.db2.gz NJVSRIZWNHNKDY-VIFPVBQESA-N 0 1 392.861 3.606 20 5 GHBDMN Cc1ccc(CN2CCCN(C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)CC2)cc1 ZINC001310799224 1051598734 /nfs/dbraw/zinc/59/87/34/1051598734.db2.gz HHJTVIFNLDSURY-UHFFFAOYSA-N 0 1 386.427 3.782 20 5 GHBDMN O=[N+]([O-])c1ccc(CN2CCC[C@@H](C[C@@H]3CCOC3)C2)c(Br)c1 ZINC001342948730 1053452642 /nfs/dbraw/zinc/45/26/42/1053452642.db2.gz FZIOTOSLWAEVLR-KBPBESRZSA-N 0 1 383.286 3.996 20 5 GHBDMN Cc1ccc(CN2CCCN(C(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC001317976528 1054336822 /nfs/dbraw/zinc/33/68/22/1054336822.db2.gz LTKBFMFEGANCOJ-SFHVURJKSA-N 0 1 396.491 3.882 20 5 GHBDMN Cc1ccc(CN2CCCN(C(=O)c3cc(F)cc(C)c3[N+](=O)[O-])CC2)cc1 ZINC001319165109 1055073837 /nfs/dbraw/zinc/07/38/37/1055073837.db2.gz XJDZGFYRFOLCQY-UHFFFAOYSA-N 0 1 385.439 3.699 20 5 GHBDMN C[C@@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccc(Cl)c(F)c1 ZINC001319803108 1055478475 /nfs/dbraw/zinc/47/84/75/1055478475.db2.gz GPHLWRVCTFXTIV-LLVKDONJSA-N 0 1 377.803 3.627 20 5 GHBDMN C[C@@H]1CCCN(C(=O)CCN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC001319904509 1055532701 /nfs/dbraw/zinc/53/27/01/1055532701.db2.gz KKZCOABCVSCVBV-VGSWGCGISA-N 0 1 381.476 3.922 20 5 GHBDMN Cc1ccc(CN2CCCN(C(=O)Nc3ccc([N+](=O)[O-])cc3F)CC2)cc1 ZINC001320433298 1055802048 /nfs/dbraw/zinc/80/20/48/1055802048.db2.gz BVVBGYXJMCTHDP-UHFFFAOYSA-N 0 1 386.427 3.782 20 5 GHBDMN Cc1cc(N[C@@H]2CCCN(C(=O)c3ccccc3)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC001320867711 1055993039 /nfs/dbraw/zinc/99/30/39/1055993039.db2.gz BMRKELGEXOWMQH-QGZVFWFLSA-N 0 1 390.443 3.590 20 5 GHBDMN O=C1CCCN1[C@H]1CCN(Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC001324538186 1057158925 /nfs/dbraw/zinc/15/89/25/1057158925.db2.gz XBVIFGASNKXUHR-AWEZNQCLSA-N 0 1 389.839 3.705 20 5 GHBDMN O=C(Nc1nc(-c2cccc(Cl)c2)n[nH]1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001356495624 1057528161 /nfs/dbraw/zinc/52/81/61/1057528161.db2.gz BZBFUNBDKONVKZ-LSDHHAIUSA-N 0 1 383.795 3.776 20 5 GHBDMN CC(C)(C)N1CCN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])CC1 ZINC001326687252 1057535872 /nfs/dbraw/zinc/53/58/72/1057535872.db2.gz IJUDIKSLHXWDIL-UHFFFAOYSA-N 0 1 397.475 3.730 20 5 GHBDMN CCCCC[C@@H](C)CC(=O)Nc1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC001439679248 1058259446 /nfs/dbraw/zinc/25/94/46/1058259446.db2.gz QDNAWVYMZAIBKS-MRXNPFEDSA-N 0 1 376.501 3.892 20 5 GHBDMN COc1ccc2nc([C@@H](C)NC(=O)c3ccc([N+](=O)[O-])c4cccnc34)[nH]c2c1 ZINC001448112182 1060109406 /nfs/dbraw/zinc/10/94/06/1060109406.db2.gz DRPPQLHLCCIKSK-LLVKDONJSA-N 0 1 391.387 3.519 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(CN2CCC(F)(F)[C@H](CO)C2)o1 ZINC001347443494 1062388094 /nfs/dbraw/zinc/38/80/94/1062388094.db2.gz ZYEZRROXIQTUKM-NSHDSACASA-N 0 1 386.782 3.958 20 5 GHBDMN O=C(Nc1ccc(-c2nnc[nH]2)cc1F)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001436086997 1063171119 /nfs/dbraw/zinc/17/11/19/1063171119.db2.gz AUKLIJZOOSBNRJ-UHFFFAOYSA-N 0 1 381.367 3.579 20 5 GHBDMN O=[N+]([O-])c1c(Br)cccc1NCCN1CCc2ccccc2C1 ZINC001458097356 1063564272 /nfs/dbraw/zinc/56/42/72/1063564272.db2.gz BKADALBAOLFPSU-UHFFFAOYSA-N 0 1 376.254 3.828 20 5 GHBDMN Cc1ccc(C=Cc2n[nH]c(SCC(=O)c3ccc([N+](=O)[O-])cc3F)n2)o1 ZINC001458902881 1063958565 /nfs/dbraw/zinc/95/85/65/1063958565.db2.gz IEBRKFGCEZFZIX-ALCCZGGFSA-N 0 1 388.380 3.899 20 5 GHBDMN CCc1c(NC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)[nH]nc1-c1ccncc1 ZINC001464810950 1065224513 /nfs/dbraw/zinc/22/45/13/1065224513.db2.gz XPXQBWLIDVWOML-UHFFFAOYSA-N 0 1 385.811 3.777 20 5 GHBDMN O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001353257033 1065809551 /nfs/dbraw/zinc/80/95/51/1065809551.db2.gz WCQLQAOCBYLDSS-HUUCEWRRSA-N 0 1 393.321 3.561 20 5 GHBDMN CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC001353603058 1066076540 /nfs/dbraw/zinc/07/65/40/1066076540.db2.gz SYNLCYLACWGYQK-UHFFFAOYSA-N 0 1 377.510 3.653 20 5 GHBDMN CCOc1cc(NC(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC001466997731 1066435879 /nfs/dbraw/zinc/43/58/79/1066435879.db2.gz PAGWDAQSYPQECH-GOSISDBHSA-N 0 1 398.463 3.780 20 5 GHBDMN C[C@H](NC(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC001469413323 1068151273 /nfs/dbraw/zinc/15/12/73/1068151273.db2.gz VRWBVCDUDDEUKI-IRWQIABSSA-N 0 1 386.427 3.540 20 5 GHBDMN C[C@H](NC(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC001469413327 1068151418 /nfs/dbraw/zinc/15/14/18/1068151418.db2.gz VRWBVCDUDDEUKI-SOVGHPHASA-N 0 1 386.427 3.540 20 5 GHBDMN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC(Cc3n[nH]c(C(C)C)n3)CC2)c1C ZINC001469724108 1068339026 /nfs/dbraw/zinc/33/90/26/1068339026.db2.gz IAQQRJIUEMEUGD-UHFFFAOYSA-N 0 1 385.468 3.548 20 5 GHBDMN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC(Cc3nnc(C(C)C)[nH]3)CC2)c1C ZINC001469724108 1068339044 /nfs/dbraw/zinc/33/90/44/1068339044.db2.gz IAQQRJIUEMEUGD-UHFFFAOYSA-N 0 1 385.468 3.548 20 5 GHBDMN CC[C@@H]1CN(C(=O)NCc2cccc([N+](=O)[O-])c2C)CCN1Cc1ccccc1 ZINC001469776771 1068381233 /nfs/dbraw/zinc/38/12/33/1068381233.db2.gz JVLANZVIAZGLNK-HXUWFJFHSA-N 0 1 396.491 3.709 20 5 GHBDMN CC[C@H](c1ccccc1)N1CCN(C(=O)COc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC001360928902 1068697093 /nfs/dbraw/zinc/69/70/93/1068697093.db2.gz RKQGJHXTBBTOTF-HXUWFJFHSA-N 0 1 397.475 3.578 20 5 GHBDMN C[C@H]1CC[C@@H](c2ccccc2)N(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC001460084785 1068771859 /nfs/dbraw/zinc/77/18/59/1068771859.db2.gz OEHQGYDAGXLSIZ-JXFKEZNVSA-N 0 1 379.460 3.957 20 5 GHBDMN CCOc1ccc(NC(=O)CNC2(c3ccccc3C)CCC2)c([N+](=O)[O-])c1 ZINC001460331663 1068928640 /nfs/dbraw/zinc/92/86/40/1068928640.db2.gz LKSDQRSKQYNVJD-UHFFFAOYSA-N 0 1 383.448 3.909 20 5 GHBDMN CC(C)(NC[C@@H](O)c1cccc([N+](=O)[O-])c1)c1nc2cc(Cl)ccc2o1 ZINC001460620719 1069036629 /nfs/dbraw/zinc/03/66/29/1069036629.db2.gz UDAVMNRCBWNGFQ-OAHLLOKOSA-N 0 1 375.812 3.948 20 5 GHBDMN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N(C)C1CCN(CCC(F)(F)F)CC1 ZINC001460854602 1069225011 /nfs/dbraw/zinc/22/50/11/1069225011.db2.gz JDFQZTLCBXIMNW-UHFFFAOYSA-N 0 1 391.365 3.531 20 5 GHBDMN O=C(NC[C@H]1CCCCN1CCOc1ccc([N+](=O)[O-])cc1)Nc1ccccc1 ZINC001473234587 1073878043 /nfs/dbraw/zinc/87/80/43/1073878043.db2.gz APIKBZROYSMYBK-LJQANCHMSA-N 0 1 398.463 3.650 20 5 GHBDMN C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)[N@H+](Cc2cc([O-])ccc2[N+](=O)[O-])[C@H]1C ZINC001473594893 1074037855 /nfs/dbraw/zinc/03/78/55/1074037855.db2.gz JZZZUXWVRUONKY-IJEWVQPXSA-N 0 1 393.484 3.814 20 5 GHBDMN C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])[C@H]1C ZINC001473594893 1074037865 /nfs/dbraw/zinc/03/78/65/1074037865.db2.gz JZZZUXWVRUONKY-IJEWVQPXSA-N 0 1 393.484 3.814 20 5 GHBDMN CC(C)(C)OC(=O)N1CCN(CCOc2ccc([N+](=O)[O-])cc2)C(C)(C)CC1 ZINC001473732701 1074114593 /nfs/dbraw/zinc/11/45/93/1074114593.db2.gz NXBLNHIVWXPDER-UHFFFAOYSA-N 0 1 393.484 3.695 20 5 GHBDMN CC(C)[C@@H](CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 ZINC001474318916 1074339916 /nfs/dbraw/zinc/33/99/16/1074339916.db2.gz WQYANXLUUKRFTQ-OAQYLSRUSA-N 0 1 381.476 3.792 20 5 GHBDMN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1nc(-c2ccncc2)cs1 ZINC001474697111 1074521146 /nfs/dbraw/zinc/52/11/46/1074521146.db2.gz ORHKKUKZRQSXJV-ZDUSSCGKSA-N 0 1 397.460 3.620 20 5 GHBDMN CC[C@H](NS(=O)(=O)c1cc(C)sc1[N+](=O)[O-])c1cc(F)ccc1OC ZINC001475699835 1075002044 /nfs/dbraw/zinc/00/20/44/1075002044.db2.gz BNARXKPYDWYHRR-LBPRGKRZSA-N 0 1 388.442 3.542 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000832482040 600741901 /nfs/dbraw/zinc/74/19/01/600741901.db2.gz VGVQDXIRSKGNFT-HNNXBMFYSA-N 0 1 385.203 3.826 20 5 GHBDMN Cc1cc(N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000584410377 834540353 /nfs/dbraw/zinc/54/03/53/834540353.db2.gz BHYGMDAAEZBXLF-KRWDZBQOSA-N 0 1 383.448 3.702 20 5 GHBDMN O=[N+]([O-])c1c(Nc2ccc(CCN3CCOCC3)cc2)ccc2ncccc21 ZINC000480422525 834669002 /nfs/dbraw/zinc/66/90/02/834669002.db2.gz UOCSQVBGOMUPIZ-UHFFFAOYSA-N 0 1 378.432 3.761 20 5 GHBDMN COc1cccc(-c2nc(C)c(C(=O)N3CCc4c3cccc4[N+](=O)[O-])[nH]2)c1 ZINC000178940713 834751822 /nfs/dbraw/zinc/75/18/22/834751822.db2.gz XYXYJXMCJLFJBD-UHFFFAOYSA-N 0 1 378.388 3.505 20 5 GHBDMN CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2C[C@@H](C)[C@](C)(C(=O)[O-])C2)cc1OC ZINC000583758352 834988894 /nfs/dbraw/zinc/98/88/94/834988894.db2.gz FXWARCQVWQWHJA-ARGWCVDVSA-N 0 1 394.468 3.571 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000430200978 835033428 /nfs/dbraw/zinc/03/34/28/835033428.db2.gz BJHSNAJDKKZZHI-QGZVFWFLSA-N 0 1 379.420 3.726 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000430200978 835033433 /nfs/dbraw/zinc/03/34/33/835033433.db2.gz BJHSNAJDKKZZHI-QGZVFWFLSA-N 0 1 379.420 3.726 20 5 GHBDMN Cc1cc(N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000573004021 835069102 /nfs/dbraw/zinc/06/91/02/835069102.db2.gz KBGSGYMQJGDUKB-CRAIPNDOSA-N 0 1 383.448 3.924 20 5 GHBDMN COc1ccc([C@H](CNc2ccc([N+](=O)[O-])c(C(C)=O)c2)N(C)C)cc1OC ZINC000569637648 835277866 /nfs/dbraw/zinc/27/78/66/835277866.db2.gz TUCQRUSDZKRZFY-SFHVURJKSA-N 0 1 387.436 3.529 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H](C)c1cccc(OC(F)F)c1 ZINC000179585973 835887155 /nfs/dbraw/zinc/88/71/55/835887155.db2.gz VZVHJVIEVKSPFD-GFCCVEGCSA-N 0 1 379.363 3.794 20 5 GHBDMN C[C@@H](N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cccc(OC(F)F)c1 ZINC000179592562 835887615 /nfs/dbraw/zinc/88/76/15/835887615.db2.gz TVTPNYOMLOGBQB-PXAZEXFGSA-N 0 1 391.374 3.652 20 5 GHBDMN O=[N+]([O-])c1ccc(N2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)cc1C(F)(F)F ZINC000179598348 835894995 /nfs/dbraw/zinc/89/49/95/835894995.db2.gz ZMQOODHOFUGEEM-LLVKDONJSA-N 0 1 381.358 3.993 20 5 GHBDMN O=[N+]([O-])c1ccc(N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)cc1C(F)(F)F ZINC000179598348 835895002 /nfs/dbraw/zinc/89/50/02/835895002.db2.gz ZMQOODHOFUGEEM-LLVKDONJSA-N 0 1 381.358 3.993 20 5 GHBDMN CC[C@H](NCc1cccc([N+](=O)[O-])c1C)c1ccccc1OCC(=O)N(C)C ZINC000179729362 835962500 /nfs/dbraw/zinc/96/25/00/835962500.db2.gz HBTRWLKAKXVQJA-SFHVURJKSA-N 0 1 385.464 3.611 20 5 GHBDMN O=C(c1cc2ccccc2c2cccnc12)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000625181143 836092720 /nfs/dbraw/zinc/09/27/20/836092720.db2.gz DPSRCXAUECSJHG-LJQANCHMSA-N 0 1 389.499 3.715 20 5 GHBDMN O=[N+]([O-])c1cccc(CN[C@@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)c1 ZINC000136679620 836312950 /nfs/dbraw/zinc/31/29/50/836312950.db2.gz SBDZMHCSVOTFKC-OAHLLOKOSA-N 0 1 377.326 3.611 20 5 GHBDMN O=C(NCc1nc2ccc(F)cc2[nH]1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000176118062 844175661 /nfs/dbraw/zinc/17/56/61/844175661.db2.gz AJAVDGKSVYYDCG-UHFFFAOYSA-N 0 1 382.273 3.559 20 5 GHBDMN Cc1ccc([C@H](C)NC(=O)NC[C@H](c2cccs2)N(C)C)cc1[N+](=O)[O-] ZINC000175545308 836659623 /nfs/dbraw/zinc/65/96/23/836659623.db2.gz YNBZMGITNOOXAS-XJKSGUPXSA-N 0 1 376.482 3.628 20 5 GHBDMN O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1NCc1nccc(C(F)(F)F)n1 ZINC000414235882 836673383 /nfs/dbraw/zinc/67/33/83/836673383.db2.gz HNWWKKUEJOVCGY-TZMCWYRMSA-N 0 1 380.370 3.905 20 5 GHBDMN COc1ccccc1[C@@H]1CC[C@H](C)CN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000510255849 837066361 /nfs/dbraw/zinc/06/63/61/837066361.db2.gz SGVFWJIWSGAQNT-KSSFIOAISA-N 0 1 383.448 3.676 20 5 GHBDMN COc1ccc([C@@H](NC(=O)CN[C@@H](C)c2cccc([N+](=O)[O-])c2)C(C)C)cc1 ZINC000180450391 837267263 /nfs/dbraw/zinc/26/72/63/837267263.db2.gz PDHAWGAIDTXUOB-BTYIYWSLSA-N 0 1 385.464 3.768 20 5 GHBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCCC[C@H]2[C@@H](C)O)cc1OC ZINC000580366483 837340459 /nfs/dbraw/zinc/34/04/59/837340459.db2.gz DXQMTOSKZFYHJC-UXLLHSPISA-N 0 1 380.485 3.764 20 5 GHBDMN O=[N+]([O-])c1ccc([C@H](NC2CCN(Cc3ccccn3)CC2)C(F)(F)F)cc1 ZINC000580455352 837361854 /nfs/dbraw/zinc/36/18/54/837361854.db2.gz CKULCWIZOIAINX-SFHVURJKSA-N 0 1 394.397 3.847 20 5 GHBDMN COc1cc(CN2CCC([C@H]3CCCO3)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000189244766 838249793 /nfs/dbraw/zinc/24/97/93/838249793.db2.gz CIDGUJKEDSRLPQ-OAHLLOKOSA-N 0 1 386.395 3.596 20 5 GHBDMN C[C@@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1cccc(F)c1F ZINC000119070726 839450213 /nfs/dbraw/zinc/45/02/13/839450213.db2.gz ZJTNKLHHLFGHOC-MRVPVSSYSA-N 0 1 376.768 3.566 20 5 GHBDMN COc1ccc(CN[C@H]2CCOc3c(Br)cccc32)cc1[N+](=O)[O-] ZINC000500391550 840344187 /nfs/dbraw/zinc/34/41/87/840344187.db2.gz GCGIGCMEHFNNGN-AWEZNQCLSA-N 0 1 393.237 3.979 20 5 GHBDMN CC[C@@H](CS(=O)(=O)c1ccccc1)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181658747 840628415 /nfs/dbraw/zinc/62/84/15/840628415.db2.gz DSFPYHZQNYLOTK-RDJZCZTQSA-N 0 1 376.478 3.806 20 5 GHBDMN CCN(C(=O)c1ccc([N+](=O)[O-])c([O-])c1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000162491039 841200849 /nfs/dbraw/zinc/20/08/49/841200849.db2.gz KURJNAJXSODOID-YJBOKZPZSA-N 0 1 383.448 3.598 20 5 GHBDMN O=[N+]([O-])c1cc(Br)ccc1CN1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000322464665 844631590 /nfs/dbraw/zinc/63/15/90/844631590.db2.gz MRRAYJLACZCAAM-ZMSDIMECSA-N 0 1 383.286 3.873 20 5 GHBDMN Cc1cc(N2CCN(c3ccc(Cl)cn3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302130518 861216455 /nfs/dbraw/zinc/21/64/55/861216455.db2.gz BWFOBGHNTZZUIN-UHFFFAOYSA-N 0 1 383.839 3.826 20 5 GHBDMN Cc1cc(N2CCN(C(=O)c3cccc(F)c3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302176189 861230167 /nfs/dbraw/zinc/23/01/67/861230167.db2.gz MYPRHKZFYXEUBA-UHFFFAOYSA-N 0 1 394.406 3.553 20 5 GHBDMN Cc1cc(N2CCN(c3nccc(C(C)C)n3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302192306 861235315 /nfs/dbraw/zinc/23/53/15/861235315.db2.gz BZEHYDFAXWBQJX-UHFFFAOYSA-N 0 1 392.463 3.691 20 5 GHBDMN COc1ccc(F)c(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])c1 ZINC000123695796 841822347 /nfs/dbraw/zinc/82/23/47/841822347.db2.gz HIVLKUHKHUMUDM-UHFFFAOYSA-N 0 1 395.195 3.850 20 5 GHBDMN COc1cccc(C[C@@H]2CCCN2Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)c1 ZINC000603867963 861299418 /nfs/dbraw/zinc/29/94/18/861299418.db2.gz HAEHAINSZLEFNC-KRWDZBQOSA-N 0 1 394.431 3.861 20 5 GHBDMN C[C@@H]1CN(C[C@@H]2CCCN2c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C[C@H](C)O1 ZINC000302548720 861299718 /nfs/dbraw/zinc/29/97/18/861299718.db2.gz VKYUSQJRZZDQFZ-SCTDSRPQSA-N 0 1 396.491 3.735 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000555590980 861323896 /nfs/dbraw/zinc/32/38/96/861323896.db2.gz PKDVKMLKPWONKK-CQSZACIVSA-N 0 1 397.410 3.517 20 5 GHBDMN O=C1C[C@H](c2ccccc2)N(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCN1 ZINC000510541047 842930412 /nfs/dbraw/zinc/93/04/12/842930412.db2.gz YCWBACKJGMMITG-HXUWFJFHSA-N 0 1 391.427 3.918 20 5 GHBDMN O=[N+]([O-])c1c(F)cccc1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1F ZINC000171090608 861427467 /nfs/dbraw/zinc/42/74/67/861427467.db2.gz BKGHFFKHTOMWNE-UHFFFAOYSA-N 0 1 382.266 3.693 20 5 GHBDMN COc1cc(C)c([C@H](C)N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000056154169 861437493 /nfs/dbraw/zinc/43/74/93/861437493.db2.gz UOWSWQYBHNLAPU-UONOGXRCSA-N 0 1 387.436 3.598 20 5 GHBDMN CCOc1cc(CN[C@H](C)c2ccc(N3CCOC3=O)cc2)ccc1[N+](=O)[O-] ZINC000276914512 843722003 /nfs/dbraw/zinc/72/20/03/843722003.db2.gz NZSPZXVIDHXKKS-CQSZACIVSA-N 0 1 385.420 3.801 20 5 GHBDMN COC[C@@H](NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000433209220 843871335 /nfs/dbraw/zinc/87/13/35/843871335.db2.gz QUDWARJQKPODHL-IEBWSBKVSA-N 0 1 390.411 3.810 20 5 GHBDMN CCn1cccc(CNCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)c1=O ZINC000433210027 843873645 /nfs/dbraw/zinc/87/36/45/843873645.db2.gz ZSVRJPSYGVCIMY-UHFFFAOYSA-N 0 1 397.406 3.998 20 5 GHBDMN CC1(C)C[C@H](NCCS(=O)(=O)c2ccc(F)cc2)c2cc([N+](=O)[O-])ccc21 ZINC000433293481 843980716 /nfs/dbraw/zinc/98/07/16/843980716.db2.gz FISAPJKIXHWVEX-SFHVURJKSA-N 0 1 392.452 3.520 20 5 GHBDMN COc1ccc2[nH]cc(C3=CCN(C[C@@H](O)c4cccc([N+](=O)[O-])c4)CC3)c2c1 ZINC000178867984 844884659 /nfs/dbraw/zinc/88/46/59/844884659.db2.gz HLIPPTQEAKFUQR-JOCHJYFZSA-N 0 1 393.443 3.907 20 5 GHBDMN CO[C@@H](c1ccccc1Cl)[C@@H](C)NCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000481490996 861516020 /nfs/dbraw/zinc/51/60/20/861516020.db2.gz DBWUMLJLDPQVJU-BFUOFWGJSA-N 0 1 391.855 3.861 20 5 GHBDMN Cc1c(CNC(=O)c2cn[nH]c2-c2ccc(Cl)s2)cccc1[N+](=O)[O-] ZINC000481500069 861525919 /nfs/dbraw/zinc/52/59/19/861525919.db2.gz DXDJWCZYSCREMN-UHFFFAOYSA-N 0 1 376.825 3.938 20 5 GHBDMN O=C(NCc1ccc(Br)cc1Cl)c1cc(O)cc([N+](=O)[O-])c1 ZINC000506102268 845116503 /nfs/dbraw/zinc/11/65/03/845116503.db2.gz JFNFHUFQHRUMED-UHFFFAOYSA-N 0 1 385.601 3.646 20 5 GHBDMN CO[C@@H](C)CCN[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000419249531 845496946 /nfs/dbraw/zinc/49/69/46/845496946.db2.gz PIJPSWXUCZVKAB-SCLBCKFNSA-N 0 1 391.855 3.943 20 5 GHBDMN COc1ccc([C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2)N2CCCCC2)cc1 ZINC000071794402 845509903 /nfs/dbraw/zinc/50/99/03/845509903.db2.gz VVLIARYEKKDKNF-HXUWFJFHSA-N 0 1 398.463 3.952 20 5 GHBDMN COc1ccc(CNCc2ccccc2[N+](=O)[O-])cc1OCc1cccnc1 ZINC000237246644 846408539 /nfs/dbraw/zinc/40/85/39/846408539.db2.gz SCSBOSVVEBRILW-UHFFFAOYSA-N 0 1 379.416 3.867 20 5 GHBDMN COc1ccc([C@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C(F)(F)F)cc1 ZINC000183211354 846597668 /nfs/dbraw/zinc/59/76/68/846597668.db2.gz PAFTZKTVGFESJQ-HNNXBMFYSA-N 0 1 394.309 3.513 20 5 GHBDMN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCN(CC3CCCCC3)CC2)c1 ZINC000501860059 847285126 /nfs/dbraw/zinc/28/51/26/847285126.db2.gz CRDLIRMVXCYPOO-UHFFFAOYSA-N 0 1 377.510 3.655 20 5 GHBDMN Cc1ccc([N+](=O)[O-])c(C)c1NS(=O)(=O)c1cnc2ccc(F)cc2c1 ZINC000430062932 847651314 /nfs/dbraw/zinc/65/13/14/847651314.db2.gz WWSBVYAPDRFUDY-UHFFFAOYSA-N 0 1 375.381 3.700 20 5 GHBDMN Cc1ccc([C@H](C)N[C@@H](C)C(=O)N[C@@H]2CCOc3ccccc32)cc1[N+](=O)[O-] ZINC000178686732 848536484 /nfs/dbraw/zinc/53/64/84/848536484.db2.gz KZEDTBGGEJPHGZ-RLFYNMQTSA-N 0 1 383.448 3.582 20 5 GHBDMN C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000178795597 849198689 /nfs/dbraw/zinc/19/86/89/849198689.db2.gz JLVTWVZZJYGQCF-JKSUJKDBSA-N 0 1 397.479 3.576 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)ccc1CCNc1nc(C(F)(F)F)nc2[nH]cnc21 ZINC000514649835 850104415 /nfs/dbraw/zinc/10/44/15/850104415.db2.gz FILXBNMCTMWBLU-UHFFFAOYSA-N 0 1 386.721 3.540 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@@H](Oc3ccccc3Cl)C2)c1[N+](=O)[O-] ZINC000504678358 850231004 /nfs/dbraw/zinc/23/10/04/850231004.db2.gz TVOYFUKIELXANQ-GFCCVEGCSA-N 0 1 392.843 3.778 20 5 GHBDMN CC[C@](C)(O)CN(Cc1ccccc1)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000439775541 850380089 /nfs/dbraw/zinc/38/00/89/850380089.db2.gz OJPDMCQGKMSAJZ-NRFANRHFSA-N 0 1 388.464 3.775 20 5 GHBDMN COCCOc1ccc(CNCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 ZINC000487160247 850507069 /nfs/dbraw/zinc/50/70/69/850507069.db2.gz RRUQWUFYFDXCSV-UHFFFAOYSA-N 0 1 384.354 3.929 20 5 GHBDMN CCCc1[nH]nc(C(=O)N(CC)Cc2cccc(-c3ccncc3)c2)c1[N+](=O)[O-] ZINC000487918401 850978912 /nfs/dbraw/zinc/97/89/12/850978912.db2.gz RUYHRMSXCQTZHE-UHFFFAOYSA-N 0 1 393.447 3.995 20 5 GHBDMN CC[C@@H](NCc1ccc(Br)cc1[N+](=O)[O-])c1c(C)nn(C)c1C ZINC000425434616 851069855 /nfs/dbraw/zinc/06/98/55/851069855.db2.gz QIHJQBCGEBNRIX-CQSZACIVSA-N 0 1 381.274 3.949 20 5 GHBDMN C[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000604429962 862201981 /nfs/dbraw/zinc/20/19/81/862201981.db2.gz BQONXIXYYGDBQE-SECBINFHSA-N 0 1 392.330 3.792 20 5 GHBDMN CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000910376196 851164392 /nfs/dbraw/zinc/16/43/92/851164392.db2.gz XOCLOYMYGHVKRK-KRWDZBQOSA-N 0 1 383.448 3.641 20 5 GHBDMN CN(CCNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)Cc1ccccc1 ZINC000436141861 851255342 /nfs/dbraw/zinc/25/53/42/851255342.db2.gz OVNRRQGIKJNDFV-UHFFFAOYSA-N 0 1 385.467 3.543 20 5 GHBDMN Cc1occc1C(=O)Nc1cc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)ccc1F ZINC000505780368 851381157 /nfs/dbraw/zinc/38/11/57/851381157.db2.gz AEDCBKNDWQCHPZ-UHFFFAOYSA-N 0 1 399.334 3.846 20 5 GHBDMN CC(C)(C)c1ccc(Oc2ccc(CN3CC[C@@H](C(N)=O)C3)cc2[N+](=O)[O-])cc1 ZINC000505455536 851390860 /nfs/dbraw/zinc/39/08/60/851390860.db2.gz NBXRWHWQDBLWNC-MRXNPFEDSA-N 0 1 397.475 3.992 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1 ZINC000436259267 851391683 /nfs/dbraw/zinc/39/16/83/851391683.db2.gz JDXDNGKINDQYKK-WTOYTKOKSA-N 0 1 381.476 3.549 20 5 GHBDMN Cc1sc2nc(SCc3cc(O)ccc3[N+](=O)[O-])n(C)c(=O)c2c1C ZINC000436473684 851959873 /nfs/dbraw/zinc/95/98/73/851959873.db2.gz KRHYQILAUMROSO-UHFFFAOYSA-N 0 1 377.447 3.518 20 5 GHBDMN COCCSc1ccc([C@@H](C)NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1 ZINC000506189339 852141432 /nfs/dbraw/zinc/14/14/32/852141432.db2.gz IITLWHFUOVRWCJ-GFCCVEGCSA-N 0 1 376.434 3.530 20 5 GHBDMN O=C(Nc1ccc2nc(-c3ccco3)[nH]c2c1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000516129872 852184929 /nfs/dbraw/zinc/18/49/29/852184929.db2.gz SNNYKZOGDBYBQU-UHFFFAOYSA-N 0 1 392.327 3.712 20 5 GHBDMN CC(=O)c1ccc(O)c(NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)c1 ZINC000436679259 852187551 /nfs/dbraw/zinc/18/75/51/852187551.db2.gz JZYKZXKGSCHREO-UHFFFAOYSA-N 0 1 393.193 3.826 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1CN[C@H]1CCCN([C@H](C)c2ccccc2F)C1=O ZINC000550257398 852196521 /nfs/dbraw/zinc/19/65/21/852196521.db2.gz ZUGVMXNEDQPJDY-QRWLVFNGSA-N 0 1 385.439 3.884 20 5 GHBDMN CC(C)CCSc1ccc(C(=O)N(C)[C@H]2CN3CCC2CC3)cc1[N+](=O)[O-] ZINC000517699665 852286252 /nfs/dbraw/zinc/28/62/52/852286252.db2.gz SFXGNFHSOSJAIX-SFHVURJKSA-N 0 1 391.537 3.899 20 5 GHBDMN CCN(CC)[C@H](CNC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccco1 ZINC000489439622 852341403 /nfs/dbraw/zinc/34/14/03/852341403.db2.gz ZBLYOHQVWTWUOM-MAUKXSAKSA-N 0 1 388.468 3.940 20 5 GHBDMN COc1ccc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1OCC(C)C ZINC000425996950 852343308 /nfs/dbraw/zinc/34/33/08/852343308.db2.gz VCRGNSSLFWLROT-UHFFFAOYSA-N 0 1 388.468 3.672 20 5 GHBDMN COCCO[C@H]1CCN(Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000438546602 852540241 /nfs/dbraw/zinc/54/02/41/852540241.db2.gz QCGBPMFBIONVBZ-IBGZPJMESA-N 0 1 385.464 3.600 20 5 GHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000507309755 852770324 /nfs/dbraw/zinc/77/03/24/852770324.db2.gz AJELTAGJWFDYQY-MRXNPFEDSA-N 0 1 386.795 3.807 20 5 GHBDMN C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000507301660 852778736 /nfs/dbraw/zinc/77/87/36/852778736.db2.gz KRWHSUBJMYUOBP-VIFPVBQESA-N 0 1 397.200 3.563 20 5 GHBDMN O=C(N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000507372015 852851546 /nfs/dbraw/zinc/85/15/46/852851546.db2.gz SPDKVLWBGOARKO-NSHDSACASA-N 0 1 396.230 3.616 20 5 GHBDMN CC(C)(c1nnc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)s1)c1ccccc1 ZINC000506365077 852861340 /nfs/dbraw/zinc/86/13/40/852861340.db2.gz UZFNKMKWBFOBNS-UHFFFAOYSA-N 0 1 384.417 3.730 20 5 GHBDMN CCOc1ccc2cc(C(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)n[nH]3)[nH]c2c1 ZINC000490367804 852967612 /nfs/dbraw/zinc/96/76/12/852967612.db2.gz MLMCWJHFMSUDRD-UHFFFAOYSA-N 0 1 392.375 3.512 20 5 GHBDMN CC(=O)c1ccc(NCCCN2CCN(C)C[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000506050409 853143221 /nfs/dbraw/zinc/14/32/21/853143221.db2.gz BFLBMCOGMMMXEP-QFIPXVFZSA-N 0 1 396.491 3.588 20 5 GHBDMN Cc1ccccc1OCC[N@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000506124174 853510737 /nfs/dbraw/zinc/51/07/37/853510737.db2.gz FJPBMAYSIYPCHC-UHFFFAOYSA-N 0 1 380.448 3.815 20 5 GHBDMN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1ccc2nn(C(C)C)cc2c1 ZINC000481975358 862567595 /nfs/dbraw/zinc/56/75/95/862567595.db2.gz RMPSGRIYQZPSLW-UHFFFAOYSA-N 0 1 388.449 3.943 20 5 GHBDMN CCC[C@H](N[C@H]1CCCN(Cc2ccccn2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000273307272 855181822 /nfs/dbraw/zinc/18/18/22/855181822.db2.gz VWWGAWVZPWATAE-PMACEKPBSA-N 0 1 382.464 3.612 20 5 GHBDMN Cc1ccc([C@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C2CCCC2)o1 ZINC000542683808 855429093 /nfs/dbraw/zinc/42/90/93/855429093.db2.gz VYHWOZBEVLWJJA-LJQANCHMSA-N 0 1 392.477 3.791 20 5 GHBDMN CCc1c(NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)cnn1CC(C)C ZINC000590694738 855550932 /nfs/dbraw/zinc/55/09/32/855550932.db2.gz LOCKVKJJBCBUHE-UHFFFAOYSA-N 0 1 382.424 3.652 20 5 GHBDMN C[C@@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H](O)Cc1ccccc1 ZINC000123234468 856210980 /nfs/dbraw/zinc/21/09/80/856210980.db2.gz CGBATJXOPSMHNM-AUUYWEPGSA-N 0 1 383.473 3.800 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2nc(-c3ccccn3)[nH]c2c1 ZINC000172016350 856320976 /nfs/dbraw/zinc/32/09/76/856320976.db2.gz LYRWHKBSITWORT-UHFFFAOYSA-N 0 1 389.371 3.794 20 5 GHBDMN C[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)CCCC2 ZINC000542666849 856400210 /nfs/dbraw/zinc/40/02/10/856400210.db2.gz YEVCQUFHCSIEMC-HNNXBMFYSA-N 0 1 388.489 3.598 20 5 GHBDMN Cc1cc(N2CC[C@H](C(=O)N(C)c3ccccc3)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000485423201 856482429 /nfs/dbraw/zinc/48/24/29/856482429.db2.gz SESKLSKEDGHGEG-INIZCTEOSA-N 0 1 390.443 3.941 20 5 GHBDMN CCn1c2ccccc2nc1[C@@H]1CCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000428024247 857031809 /nfs/dbraw/zinc/03/18/09/857031809.db2.gz ZMKJKJIJXDOXFN-SFHVURJKSA-N 0 1 380.404 3.647 20 5 GHBDMN O=[N+]([O-])c1ccc(NS(=O)(=O)CCc2cccc(Cl)c2)c2cccnc21 ZINC000508182716 857040858 /nfs/dbraw/zinc/04/08/58/857040858.db2.gz UXKSARGARRWISV-UHFFFAOYSA-N 0 1 391.836 3.781 20 5 GHBDMN Cc1cc(N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000592978134 857145924 /nfs/dbraw/zinc/14/59/24/857145924.db2.gz KYHKKUIYQVJJFD-RDJZCZTQSA-N 0 1 383.448 3.924 20 5 GHBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H](c2ccccc2)C2(CO)CC=CC2)c1 ZINC000593036274 857191043 /nfs/dbraw/zinc/19/10/43/857191043.db2.gz WXHRUTYOYHPIMN-FQEVSTJZSA-N 0 1 396.443 3.541 20 5 GHBDMN COc1ccc(Oc2ccc([N+](=O)[O-])cc2-c2nc([C@H]3CCCN3)no2)cc1 ZINC000592356630 857193717 /nfs/dbraw/zinc/19/37/17/857193717.db2.gz BNPGAHFLEPEIBS-MRXNPFEDSA-N 0 1 382.376 3.870 20 5 GHBDMN CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1csc(Br)c1 ZINC000174129388 857213664 /nfs/dbraw/zinc/21/36/64/857213664.db2.gz ABXGLFPJGBJGRS-UHFFFAOYSA-N 0 1 398.282 3.879 20 5 GHBDMN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H](c1ccc(F)cc1)C(F)(F)F ZINC000485994952 857324645 /nfs/dbraw/zinc/32/46/45/857324645.db2.gz WXZMCXOOKKHZCJ-AWEZNQCLSA-N 0 1 392.330 3.624 20 5 GHBDMN CN(c1ccccc1)c1ccc(CNCc2ccc(C(N)=O)cc2)cc1[N+](=O)[O-] ZINC000520955357 857435614 /nfs/dbraw/zinc/43/56/14/857435614.db2.gz XKRGQEWERKLHHT-UHFFFAOYSA-N 0 1 390.443 3.751 20 5 GHBDMN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)Nc1cccc(CN2CCSCC2)c1 ZINC000843779357 857445776 /nfs/dbraw/zinc/44/57/76/857445776.db2.gz QWUHTFUWHPDKPB-UHFFFAOYSA-N 0 1 389.452 3.843 20 5 GHBDMN O=C(Nc1ccc(Oc2cccc(F)c2)c(Br)c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001128368643 858010576 /nfs/dbraw/zinc/01/05/76/858010576.db2.gz GCFXSMXEYQERGC-TZMCWYRMSA-N 0 1 395.184 3.984 20 5 GHBDMN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@@H]2c2ccccc2Cl)c1 ZINC000059376203 858347580 /nfs/dbraw/zinc/34/75/80/858347580.db2.gz GAFPQMKJEDGBLU-HNAYVOBHSA-N 0 1 376.840 3.825 20 5 GHBDMN O=C(NC[C@H]1CCCCN1CCOc1ccccc1[N+](=O)[O-])Nc1ccccc1 ZINC000059402969 858361978 /nfs/dbraw/zinc/36/19/78/858361978.db2.gz MCSRQWQQVOHOJI-GOSISDBHSA-N 0 1 398.463 3.650 20 5 GHBDMN O=C([O-])Cc1ccc(NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000592969783 858454274 /nfs/dbraw/zinc/45/42/74/858454274.db2.gz FNYDUCQGIAFRNJ-GOSISDBHSA-N 0 1 383.448 3.546 20 5 GHBDMN O=C([O-])c1ccc([N+](=O)[O-])c(N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000592967944 858458298 /nfs/dbraw/zinc/45/82/98/858458298.db2.gz VJQOAORIKDMJTG-UHFFFAOYSA-N 0 1 389.839 3.659 20 5 GHBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H](C[C@H]2CCOC2)c2ccccc2)c1 ZINC000593021311 858548161 /nfs/dbraw/zinc/54/81/61/858548161.db2.gz VASBEHXVFAOKPK-BEFAXECRSA-N 0 1 384.432 3.639 20 5 GHBDMN Cc1ccc([C@H](C)NC(=O)NC[C@@H]2CCN2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000595544163 858561768 /nfs/dbraw/zinc/56/17/68/858561768.db2.gz MUNGBVNLFPGDCA-LPHOPBHVSA-N 0 1 382.464 3.538 20 5 GHBDMN Cc1cccnc1[C@@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(C)C ZINC000115584151 858578498 /nfs/dbraw/zinc/57/84/98/858578498.db2.gz ZZPSSAHEQODRJA-AWEZNQCLSA-N 0 1 383.857 3.627 20 5 GHBDMN CCN(CC)[C@@H](CN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000575189681 858597525 /nfs/dbraw/zinc/59/75/25/858597525.db2.gz QIMIRTIFDNRBTD-ICSRJNTNSA-N 0 1 397.479 3.683 20 5 GHBDMN COc1cc(CN2CC[C@@]3(C2)CCc2ccccc2O3)c([N+](=O)[O-])cc1OC ZINC000575170294 858614686 /nfs/dbraw/zinc/61/46/86/858614686.db2.gz CIKLHDJQHLYHEM-OAQYLSRUSA-N 0 1 384.432 3.582 20 5 GHBDMN COC(=O)c1cnc([C@H]2CCCN([C@H](C)c3cccc([N+](=O)[O-])c3)C2)s1 ZINC000595913239 858717752 /nfs/dbraw/zinc/71/77/52/858717752.db2.gz FQQDCIFPGJYCJE-OCCSQVGLSA-N 0 1 375.450 3.779 20 5 GHBDMN COC(=O)COc1ccc(CN[C@@]2(c3ccccc3)CC2(C)C)cc1[N+](=O)[O-] ZINC000596057481 858759504 /nfs/dbraw/zinc/75/95/04/858759504.db2.gz SNYPSKUJAKQMNP-OAQYLSRUSA-N 0 1 384.432 3.562 20 5 GHBDMN C[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cc2c(s1)CCCC2 ZINC000543596070 858907375 /nfs/dbraw/zinc/90/73/75/858907375.db2.gz SAJSNODFJXUZKL-CYBMUJFWSA-N 0 1 394.518 3.660 20 5 GHBDMN Cc1sc2nc(CSCc3cc(O)ccc3[N+](=O)[O-])nc(N)c2c1C ZINC000593186874 858919474 /nfs/dbraw/zinc/91/94/74/858919474.db2.gz AHPTYJSUGPVGEX-UHFFFAOYSA-N 0 1 376.463 3.938 20 5 GHBDMN O=[N+]([O-])c1ccn(C2CCN(Cc3ccc(Oc4ccc(F)cc4)nc3)CC2)n1 ZINC000597115663 859291689 /nfs/dbraw/zinc/29/16/89/859291689.db2.gz ATTCHMMVHRHTMG-UHFFFAOYSA-N 0 1 397.410 3.955 20 5 GHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N(CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000543688816 859459572 /nfs/dbraw/zinc/45/95/72/859459572.db2.gz BOZUBEFILAXURG-UHFFFAOYSA-N 0 1 399.230 3.632 20 5 GHBDMN CCN(CC)[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)c1ccco1 ZINC000117770114 859615882 /nfs/dbraw/zinc/61/58/82/859615882.db2.gz UKQJLOGHCGBZCJ-INIZCTEOSA-N 0 1 379.844 3.583 20 5 GHBDMN CNC(=O)[C@H](CC(C)C)NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000611120348 859617884 /nfs/dbraw/zinc/61/78/84/859617884.db2.gz ZGTNAUIQHIDWPD-KRWDZBQOSA-N 0 1 389.427 3.777 20 5 GHBDMN COc1ccc(C[C@@H](C)N2CC[C@H](Oc3cc(F)ccc3F)C2)c([N+](=O)[O-])c1 ZINC001170345062 881459082 /nfs/dbraw/zinc/45/90/82/881459082.db2.gz GYHQXPSAQHXUIF-DYVFJYSZSA-N 0 1 392.402 3.966 20 5 GHBDMN CC[C@H](N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1c(C)nn(C)c1C ZINC000543458142 859775495 /nfs/dbraw/zinc/77/54/95/859775495.db2.gz PQPVXQBGBQAMCK-NHYWBVRUSA-N 0 1 393.875 3.666 20 5 GHBDMN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000611488326 859783535 /nfs/dbraw/zinc/78/35/35/859783535.db2.gz JEGRGXZYWWSXRK-KRWDZBQOSA-N 0 1 397.479 3.709 20 5 GHBDMN Cc1c(Cl)cc(S(=O)(=O)Nc2ccc(C(F)(F)F)nc2)cc1[N+](=O)[O-] ZINC000121168916 860031901 /nfs/dbraw/zinc/03/19/01/860031901.db2.gz PPRZNRBFQDWXTB-UHFFFAOYSA-N 0 1 395.746 3.771 20 5 GHBDMN O=[N+]([O-])c1ccccc1/C=C/CN1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000092709101 860108806 /nfs/dbraw/zinc/10/88/06/860108806.db2.gz DARASUQLVZDRFZ-FNORWQNLSA-N 0 1 391.431 3.933 20 5 GHBDMN CC1(C)[C@H](NCc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)[C@@H]2CCCO[C@H]21 ZINC001170387528 881503806 /nfs/dbraw/zinc/50/38/06/881503806.db2.gz UCESCIAHLUBWAL-APHBMKBZSA-N 0 1 392.843 3.591 20 5 GHBDMN O=C(NCc1ccc(F)cc1)C1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000154730377 860243210 /nfs/dbraw/zinc/24/32/10/860243210.db2.gz JYSZYFZMALNJAN-HWKANZROSA-N 0 1 397.450 3.776 20 5 GHBDMN O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3ccc(-c4ccncc4)cc3F)C2)nc1 ZINC000093534264 860297813 /nfs/dbraw/zinc/29/78/13/860297813.db2.gz GSYJVBFBOYGTAI-GOSISDBHSA-N 0 1 393.422 3.877 20 5 GHBDMN Cc1nn(C[N@@H+](CCc2ccccc2)[C@H]2CCOC2)c2cc([N+](=O)[O-])ccc12 ZINC000761293078 860648801 /nfs/dbraw/zinc/64/88/01/860648801.db2.gz PRPLHCGVFHVKCM-IBGZPJMESA-N 0 1 380.448 3.544 20 5 GHBDMN Cc1nn(CN(CCc2ccccc2)[C@H]2CCOC2)c2cc([N+](=O)[O-])ccc12 ZINC000761293078 860648808 /nfs/dbraw/zinc/64/88/08/860648808.db2.gz PRPLHCGVFHVKCM-IBGZPJMESA-N 0 1 380.448 3.544 20 5 GHBDMN Cc1c(CNCc2cc(Br)c3c(c2)OCCO3)cccc1[N+](=O)[O-] ZINC000392554475 860786986 /nfs/dbraw/zinc/78/69/86/860786986.db2.gz BPMQUGJAJSXAJN-UHFFFAOYSA-N 0 1 393.237 3.727 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(-c2nccs2)cc1 ZINC000603624508 860925572 /nfs/dbraw/zinc/92/55/72/860925572.db2.gz QVJRWRULNKTXBI-UHFFFAOYSA-N 0 1 375.431 3.828 20 5 GHBDMN Cc1ccc(CN2CCCN(C(=O)CSc3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000509091202 860969074 /nfs/dbraw/zinc/96/90/74/860969074.db2.gz WLPURDXMPKLLAH-UHFFFAOYSA-N 0 1 399.516 3.730 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]2c2nc3ccc(C)cc3[nH]2)c1 ZINC000061228653 861060787 /nfs/dbraw/zinc/06/07/87/861060787.db2.gz OYIOAFROINICRK-GOSISDBHSA-N 0 1 380.404 3.765 20 5 GHBDMN O=C(NC[C@H](c1ccccc1)N1CCCC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000603730243 861099267 /nfs/dbraw/zinc/09/92/67/861099267.db2.gz COHQBWONRMKWSU-GOSISDBHSA-N 0 1 379.416 3.908 20 5 GHBDMN CCO[C@H]1C[C@H]([N@@H+](C)Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C12CCCCC2 ZINC000593738203 861117894 /nfs/dbraw/zinc/11/78/94/861117894.db2.gz ORNKFZVNTZFIJN-ROUUACIJSA-N 0 1 376.453 3.853 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(-c2nccs2)cc1 ZINC000603779995 861165184 /nfs/dbraw/zinc/16/51/84/861165184.db2.gz OOTNFFOSEVFWGR-UHFFFAOYSA-N 0 1 375.431 3.828 20 5 GHBDMN CC[C@H](N[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1ccccc1F ZINC000593065572 863136256 /nfs/dbraw/zinc/13/62/56/863136256.db2.gz YEQUMYBKPUPTMA-WBMJQRKESA-N 0 1 375.400 3.810 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(C[NH+]2CCCCC2)c1 ZINC000444056221 863228511 /nfs/dbraw/zinc/22/85/11/863228511.db2.gz JFMUHFMDCUWXEY-UHFFFAOYSA-N 0 1 389.477 3.690 20 5 GHBDMN Cc1ccc(Br)cc1CNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000615177774 863376424 /nfs/dbraw/zinc/37/64/24/863376424.db2.gz ZLSUTNZXQWKYBH-UHFFFAOYSA-N 0 1 393.237 3.727 20 5 GHBDMN CC(C)c1nc([C@@H](C)NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)n[nH]1 ZINC000444297067 863831823 /nfs/dbraw/zinc/83/18/23/863831823.db2.gz WWMWIMFCMNNLHH-LLVKDONJSA-N 0 1 393.422 3.553 20 5 GHBDMN C[C@H](NCc1ccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000173351554 881718940 /nfs/dbraw/zinc/71/89/40/881718940.db2.gz YTPIOPITQILGAF-ULQDDVLXSA-N 0 1 397.475 3.695 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H](Cc1ccccc1)C(=O)N1CCCC1 ZINC000131057498 864104952 /nfs/dbraw/zinc/10/49/52/864104952.db2.gz KDQADKCXIPWGJJ-UWJYYQICSA-N 0 1 381.476 3.788 20 5 GHBDMN Cc1cc(S(=O)(=O)Nc2cc(F)c(N3CCCC3)c(F)c2)ccc1[N+](=O)[O-] ZINC000734740089 864416090 /nfs/dbraw/zinc/41/60/90/864416090.db2.gz KEEZAMOSMZIVDI-UHFFFAOYSA-N 0 1 397.403 3.582 20 5 GHBDMN Cc1c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cnn1CCC(C)C ZINC000137807774 864587264 /nfs/dbraw/zinc/58/72/64/864587264.db2.gz MXFPUKPJOXKJGD-UHFFFAOYSA-N 0 1 386.861 3.600 20 5 GHBDMN CC(C)[C@H](CNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)[N@H+]1CCc2ccccc2C1 ZINC000554593208 864590201 /nfs/dbraw/zinc/59/02/01/864590201.db2.gz SIZLHZVUNLCUED-FQEVSTJZSA-N 0 1 383.448 3.788 20 5 GHBDMN CN(C(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475322805 864800991 /nfs/dbraw/zinc/80/09/91/864800991.db2.gz SLELYZKRASLZSS-GOSISDBHSA-N 0 1 379.416 3.688 20 5 GHBDMN O=[N+]([O-])c1ccc2c(c1)CN(Cc1nc3ccc(Br)cc3[nH]1)CC2 ZINC000480593845 864929482 /nfs/dbraw/zinc/92/94/82/864929482.db2.gz SOYOHERFBBEXBI-UHFFFAOYSA-N 0 1 387.237 3.792 20 5 GHBDMN COCc1ccc([C@@H]2CCCN2CCOc2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000131109257 864998665 /nfs/dbraw/zinc/99/86/65/864998665.db2.gz VQCJCVIFULZDNW-INIZCTEOSA-N 0 1 376.409 3.559 20 5 GHBDMN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000843804425 865141075 /nfs/dbraw/zinc/14/10/75/865141075.db2.gz YPVSQBCEEPHRBP-HNNXBMFYSA-N 0 1 385.439 3.779 20 5 GHBDMN COc1ccnc(N2CCN(C(=O)c3cc4ccccc4c4cccnc34)CC2)c1 ZINC000171564355 865295684 /nfs/dbraw/zinc/29/56/84/865295684.db2.gz CPTLIGSKISUPSZ-UHFFFAOYSA-N 0 1 398.466 3.754 20 5 GHBDMN Cc1c(F)cccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000174058359 865346057 /nfs/dbraw/zinc/34/60/57/865346057.db2.gz UDZIIGVZMLHVSV-UHFFFAOYSA-N 0 1 389.202 3.606 20 5 GHBDMN CC(C)c1nc2c([nH]1)CC[C@@H](C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000476543874 881877478 /nfs/dbraw/zinc/87/74/78/881877478.db2.gz KAGYMNHUPXJZFD-CYBMUJFWSA-N 0 1 390.871 3.559 20 5 GHBDMN O=C(OCc1c(F)cccc1[N+](=O)[O-])[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000741327341 866408926 /nfs/dbraw/zinc/40/89/26/866408926.db2.gz GPHMPCJFICFWFK-HNNXBMFYSA-N 0 1 390.386 3.828 20 5 GHBDMN CCOc1ccc([C@H](C)N[C@H](CN2CCOCC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000152671083 866849395 /nfs/dbraw/zinc/84/93/95/866849395.db2.gz WSQXDVJQYXGRCZ-FXAWDEMLSA-N 0 1 399.491 3.718 20 5 GHBDMN COc1ccc(C[N@H+]2CCC[C@@H]2Cn2c(C)nc3ccccc32)cc1[N+](=O)[O-] ZINC000534472014 866874913 /nfs/dbraw/zinc/87/49/13/866874913.db2.gz DWKCCFTXOXPBCJ-QGZVFWFLSA-N 0 1 380.448 3.926 20 5 GHBDMN CC1(C)CCCN(CCNC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000444614632 866954274 /nfs/dbraw/zinc/95/42/74/866954274.db2.gz XXIIEFUTAYTLAC-UHFFFAOYSA-N 0 1 395.478 3.672 20 5 GHBDMN C[C@@H]1CN(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)CC[C@H]1c1ccccc1 ZINC000742165954 867089091 /nfs/dbraw/zinc/08/90/91/867089091.db2.gz MVAWWHRKGFAXFY-OXQOHEQNSA-N 0 1 377.448 3.936 20 5 GHBDMN COc1ccc(OCCN2CCC(Nc3cccc(C)c3)CC2)c([N+](=O)[O-])c1 ZINC000440678948 867945916 /nfs/dbraw/zinc/94/59/16/867945916.db2.gz XZBHFSRJNCLMEP-UHFFFAOYSA-N 0 1 385.464 3.867 20 5 GHBDMN O=[N+]([O-])c1cc(CN[C@@H](CO)CC(F)(F)F)ccc1Oc1ccc(F)cc1 ZINC000535300569 868530320 /nfs/dbraw/zinc/53/03/20/868530320.db2.gz XSRCKWIFTMDKTA-CYBMUJFWSA-N 0 1 388.317 3.929 20 5 GHBDMN Cc1ccsc1CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462552697 869665088 /nfs/dbraw/zinc/66/50/88/869665088.db2.gz QRTQQGBRSTWYCP-UHFFFAOYSA-N 0 1 381.262 3.750 20 5 GHBDMN O=[N+]([O-])c1ccc(Br)c2c1CN(Cc1[nH]nc3ccccc31)CC2 ZINC000793613953 882331599 /nfs/dbraw/zinc/33/15/99/882331599.db2.gz NTNPWSNNWQVWTJ-UHFFFAOYSA-N 0 1 387.237 3.792 20 5 GHBDMN Cc1cc(Cl)ncc1S(=O)(=O)Nc1cc2cccnc2c2ncccc12 ZINC001192357688 870317648 /nfs/dbraw/zinc/31/76/48/870317648.db2.gz GIAOHDFUIGQWGF-UHFFFAOYSA-N 0 1 384.848 3.941 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(F)cc1OCC1CC1 ZINC000525369016 870519070 /nfs/dbraw/zinc/51/90/70/870519070.db2.gz WXBUTOZRMWOKRB-UHFFFAOYSA-N 0 1 380.397 3.632 20 5 GHBDMN CCc1[nH]nc(C(=O)N2CCC[C@@H]2c2cccc(Br)c2)c1[N+](=O)[O-] ZINC000195438638 882440423 /nfs/dbraw/zinc/44/04/23/882440423.db2.gz YCOHVFHWPQKLCW-CYBMUJFWSA-N 0 1 393.241 3.620 20 5 GHBDMN Cc1ccc(C(=O)N2CCC[C@@H](c3nnc(-c4ccccc4)[nH]3)C2)cc1[N+](=O)[O-] ZINC000181334706 870845923 /nfs/dbraw/zinc/84/59/23/870845923.db2.gz SVSMOVAJVWHPSU-QGZVFWFLSA-N 0 1 391.431 3.708 20 5 GHBDMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000447058507 870931607 /nfs/dbraw/zinc/93/16/07/870931607.db2.gz IOGMEJSWPCYHFK-UHFFFAOYSA-N 0 1 384.358 3.906 20 5 GHBDMN CCOc1ccc(C2=CCN(C(=O)c3n[nH]c(C(C)C)c3[N+](=O)[O-])CC2)cc1 ZINC000509644572 871063159 /nfs/dbraw/zinc/06/31/59/871063159.db2.gz UCMWDEUIXKZABI-UHFFFAOYSA-N 0 1 384.436 3.770 20 5 GHBDMN Cc1nc(-c2ccc([C@@H](C)NCc3ccc(C(N)=O)cc3[N+](=O)[O-])cc2)cs1 ZINC000540378397 871170225 /nfs/dbraw/zinc/17/02/25/871170225.db2.gz ABKOCIRJHYEXEZ-GFCCVEGCSA-N 0 1 396.472 3.976 20 5 GHBDMN CC[C@H](C)[C@@H](NS(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000525697878 871227810 /nfs/dbraw/zinc/22/78/10/871227810.db2.gz GADYZJJDVPNKJP-XHDPSFHLSA-N 0 1 383.857 3.709 20 5 GHBDMN CCOc1cc(N2CCN(CC[C@@H]3CCCC3(F)F)CC2)ccc1[N+](=O)[O-] ZINC001169907315 872001257 /nfs/dbraw/zinc/00/12/57/872001257.db2.gz DRVIQXPHPMSNMK-HNNXBMFYSA-N 0 1 383.439 3.941 20 5 GHBDMN CN(C)[C@H]1CCOc2c(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])cccc21 ZINC000447733545 872218441 /nfs/dbraw/zinc/21/84/41/872218441.db2.gz ZJJMBXCBEFNZJL-HNNXBMFYSA-N 0 1 375.812 3.886 20 5 GHBDMN Cc1ccc(-c2n[nH]c(SCC(=O)OCc3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000767420288 872507024 /nfs/dbraw/zinc/50/70/24/872507024.db2.gz RERAFUMQOUEJMA-UHFFFAOYSA-N 0 1 384.417 3.524 20 5 GHBDMN CC(C)(C)OC(=O)N[C@H]1C[C@@H](NCc2c(F)cc([N+](=O)[O-])cc2F)C1(C)C ZINC001195670152 872539519 /nfs/dbraw/zinc/53/95/19/872539519.db2.gz OILWBMCKIYBAFN-CABCVRRESA-N 0 1 385.411 3.654 20 5 GHBDMN O=[N+]([O-])c1ccc(Nc2cnn(-c3ccncc3)c2)nc1-c1ccc(F)cc1 ZINC000619527174 872710927 /nfs/dbraw/zinc/71/09/27/872710927.db2.gz VDWZIZMLLHDTOM-UHFFFAOYSA-N 0 1 376.351 3.542 20 5 GHBDMN CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1CN(Cc1ccc([N+](=O)[O-])cc1F)C2 ZINC001195863791 872722761 /nfs/dbraw/zinc/72/27/61/872722761.db2.gz VUQAIDRQDNIQPN-YWZLYKJASA-N 0 1 393.459 3.861 20 5 GHBDMN CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CCC[C@@H]2C(C)(C)O)cc1OC ZINC000541059227 872818624 /nfs/dbraw/zinc/81/86/24/872818624.db2.gz IBOKXXIHHNOPJM-AUUYWEPGSA-N 0 1 380.485 3.764 20 5 GHBDMN COc1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1[N+](=O)[O-] ZINC000541081190 872883055 /nfs/dbraw/zinc/88/30/55/872883055.db2.gz ATAKKWMIXUUFIT-UHFFFAOYSA-N 0 1 377.205 3.711 20 5 GHBDMN Cc1cc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)ccc1Br ZINC000768864030 873666366 /nfs/dbraw/zinc/66/63/66/873666366.db2.gz HYLBDWBJZDVNAP-UHFFFAOYSA-N 0 1 377.241 3.528 20 5 GHBDMN COc1ccc(NC(=O)[C@@H](C)N[C@H](C)c2ccc(F)cc2C)c([N+](=O)[O-])c1 ZINC001197611686 873912791 /nfs/dbraw/zinc/91/27/91/873912791.db2.gz SNOBYRYBWSSRHS-CHWSQXEVSA-N 0 1 375.400 3.729 20 5 GHBDMN Cc1ccc(NC(=O)NCc2ccc(Nc3ccncc3)cc2)cc1[N+](=O)[O-] ZINC001197823342 874078955 /nfs/dbraw/zinc/07/89/55/874078955.db2.gz KJSAETLWZYTIOJ-UHFFFAOYSA-N 0 1 377.404 3.785 20 5 GHBDMN COc1ccc(CN2CCOC[C@H](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000769455712 874081314 /nfs/dbraw/zinc/08/13/14/874081314.db2.gz JNLQNRKCAQZIKX-MRXNPFEDSA-N 0 1 386.448 3.651 20 5 GHBDMN O=C(Nc1nc2ccc(Br)cc2[nH]1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000464582449 874135575 /nfs/dbraw/zinc/13/55/75/874135575.db2.gz VFXYFLZQMXWKLX-UHFFFAOYSA-N 0 1 379.145 3.625 20 5 GHBDMN COc1ccc(Br)c(CN(C)Cc2cc(O)ccc2[N+](=O)[O-])c1 ZINC000549612131 874196392 /nfs/dbraw/zinc/19/63/92/874196392.db2.gz LGFIRIQVQOALMN-UHFFFAOYSA-N 0 1 381.226 3.704 20 5 GHBDMN CC(C)(C)C(=O)NCCNCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000105481235 875310330 /nfs/dbraw/zinc/31/03/30/875310330.db2.gz QTPDMTMNWGTLKQ-UHFFFAOYSA-N 0 1 379.844 3.760 20 5 GHBDMN O=C(Nc1nc(Cc2ccccc2)ns1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000107199193 876321595 /nfs/dbraw/zinc/32/15/95/876321595.db2.gz UDACZACQMCVZFJ-UHFFFAOYSA-N 0 1 376.344 3.568 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC000850461453 876942479 /nfs/dbraw/zinc/94/24/79/876942479.db2.gz HYMDUIRNFSXXEB-AWEZNQCLSA-N 0 1 391.468 3.821 20 5 GHBDMN C[C@H]1[C@H](C(F)(F)F)CCCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000451013815 877234268 /nfs/dbraw/zinc/23/42/68/877234268.db2.gz KFFHNOXZPOKJOG-GXFFZTMASA-N 0 1 382.342 3.788 20 5 GHBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000787405923 877400099 /nfs/dbraw/zinc/40/00/99/877400099.db2.gz HREYGYUFKHEQPU-QINSGFPZSA-N 0 1 375.469 3.987 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@H](C)c1ccc(F)c(C)c1 ZINC000451166665 877503889 /nfs/dbraw/zinc/50/38/89/877503889.db2.gz XZBWSQNHLMJOSB-OLZOCXBDSA-N 0 1 375.400 3.729 20 5 GHBDMN O=C([O-])/C=C/c1ccc(OCC[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000851708732 877873672 /nfs/dbraw/zinc/87/36/72/877873672.db2.gz LWWONFUPKONTGM-LTMNZSFGSA-N 0 1 396.443 3.951 20 5 GHBDMN C[C@@H](NCc1cccc(C(=O)NCc2ccco2)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788548674 878141899 /nfs/dbraw/zinc/14/18/99/878141899.db2.gz SBOXGMWLZWPIAE-CQSZACIVSA-N 0 1 394.431 3.551 20 5 GHBDMN Cc1c(NC(=O)NC[C@@H](c2ccc(Cl)cc2)N(C)C)cccc1[N+](=O)[O-] ZINC000530598492 878150087 /nfs/dbraw/zinc/15/00/87/878150087.db2.gz JBIUCSVQXQIQBY-KRWDZBQOSA-N 0 1 376.844 3.981 20 5 GHBDMN Cc1ccc([C@@H](C)N[C@@H]2CC(=O)N(c3c(F)cccc3F)C2)cc1[N+](=O)[O-] ZINC000537767517 878265558 /nfs/dbraw/zinc/26/55/58/878265558.db2.gz NQNJYNSBKCOUDX-TZMCWYRMSA-N 0 1 375.375 3.638 20 5 GHBDMN CCCOC(=O)c1ccc(S(=O)(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)cc1 ZINC000788845415 878379098 /nfs/dbraw/zinc/37/90/98/878379098.db2.gz ATPCKCPLMGFJFP-UHFFFAOYSA-N 0 1 392.433 3.579 20 5 GHBDMN Cc1cc(C)c(N2CC[C@H](NC/C=C\c3ccccc3[N+](=O)[O-])C2=O)c(C)c1 ZINC000788972810 878481450 /nfs/dbraw/zinc/48/14/50/878481450.db2.gz HEAQDFYCCVNRHL-QJSCKGPTSA-N 0 1 379.460 3.928 20 5 GHBDMN CC[C@@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(OC)c(OC)c1 ZINC000285630314 912368663 /nfs/dbraw/zinc/36/86/63/912368663.db2.gz ZYUUNCHAEMAGAW-QGZVFWFLSA-N 0 1 388.420 3.719 20 5 GHBDMN CN(Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)C[C@H]1COCCO1 ZINC000597204907 878724556 /nfs/dbraw/zinc/72/45/56/878724556.db2.gz HACLOBWXNUGDID-HNNXBMFYSA-N 0 1 392.839 3.888 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(C)Cc1cccc2[nH]ccc21 ZINC000494045565 879851269 /nfs/dbraw/zinc/85/12/69/879851269.db2.gz BBRSRFBNELJKPS-CYBMUJFWSA-N 0 1 382.420 3.544 20 5 GHBDMN O=C(C[C@H]1CCCCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000476913863 883369618 /nfs/dbraw/zinc/36/96/18/883369618.db2.gz KIBVTOKVKVOOOJ-QGZVFWFLSA-N 0 1 382.416 3.958 20 5 GHBDMN COCc1cc([N+](=O)[O-])ccc1N1CCN([C@@H](C)c2cccc(OC)c2)CC1 ZINC000747216624 883384392 /nfs/dbraw/zinc/38/43/92/883384392.db2.gz XRXUZVDBKQQXCH-INIZCTEOSA-N 0 1 385.464 3.633 20 5 GHBDMN O=C(Nc1cccc(CSC2CCOCC2)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000477016837 883573209 /nfs/dbraw/zinc/57/32/09/883573209.db2.gz LXFJELXMAZMBHJ-UHFFFAOYSA-N 0 1 388.445 3.965 20 5 GHBDMN O=c1cc(CN2CC[C@H](C(F)(F)F)[C@H](CO)C2)c2c(ccc3ccccc32)o1 ZINC000286408157 912733927 /nfs/dbraw/zinc/73/39/27/912733927.db2.gz HTCNQNVOPCJNKS-RDJZCZTQSA-N 0 1 391.389 3.939 20 5 GHBDMN CCCCN1Cc2cccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3C)c2C1 ZINC000542517006 884054614 /nfs/dbraw/zinc/05/46/14/884054614.db2.gz YMKGJVPOCDQLEG-UHFFFAOYSA-N 0 1 389.477 3.820 20 5 GHBDMN O=C(CCN[C@@H](c1ccccc1)c1ccccn1)Nc1ccc([N+](=O)[O-])cc1 ZINC000026230718 884218918 /nfs/dbraw/zinc/21/89/18/884218918.db2.gz JGKUVWRCLGRKDM-NRFANRHFSA-N 0 1 376.416 3.698 20 5 GHBDMN O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1NCc1ncn(-c2ccccc2)n1 ZINC000556257459 884259801 /nfs/dbraw/zinc/25/98/01/884259801.db2.gz GIMNXXVKSUTVIE-LPHOPBHVSA-N 0 1 377.448 3.677 20 5 GHBDMN O=[N+]([O-])c1cc(F)cc(NS(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)c1 ZINC000475826743 884518094 /nfs/dbraw/zinc/51/80/94/884518094.db2.gz IUONDELCWNMPCU-UHFFFAOYSA-N 0 1 382.266 3.693 20 5 GHBDMN COc1ccc(C(=O)N2C[C@H](C)N(Cc3ccccc3)[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC001130668726 884809360 /nfs/dbraw/zinc/80/93/60/884809360.db2.gz PNUUNDVEKJBBTN-GVDBMIGSSA-N 0 1 397.475 3.727 20 5 GHBDMN C[C@@H](C[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(=O)[O-] ZINC000263498848 885003334 /nfs/dbraw/zinc/00/33/34/885003334.db2.gz KIAKRKSOJJHRMV-JTQLQIEISA-N 0 1 397.225 3.770 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N[C@H]2CSc3ccccc32)c1 ZINC000795844284 912901815 /nfs/dbraw/zinc/90/18/15/912901815.db2.gz HRZBTXNSLZBBKH-NSHDSACASA-N 0 1 388.829 3.513 20 5 GHBDMN Cc1cc(C(=O)N2CCN(Cc3ccccc3)[C@H](C(C)C)C2)cc([N+](=O)[O-])c1 ZINC001131027677 885645245 /nfs/dbraw/zinc/64/52/45/885645245.db2.gz ONCSFXGZZWJXLM-NRFANRHFSA-N 0 1 381.476 3.886 20 5 GHBDMN O=C1[C@@H](N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCN1Cc1ccc(F)cc1 ZINC000193353757 885670758 /nfs/dbraw/zinc/67/07/58/885670758.db2.gz KMPGFPAVBGCCKB-UXHICEINSA-N 0 1 383.423 3.502 20 5 GHBDMN Cc1cc(Br)c(CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)s1 ZINC001131158438 886064613 /nfs/dbraw/zinc/06/46/13/886064613.db2.gz ZTIMMFYKOFTVPM-UHFFFAOYSA-N 0 1 395.238 3.534 20 5 GHBDMN Cc1cc(C)n(-c2ccccc2NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)n1 ZINC000032591709 887426614 /nfs/dbraw/zinc/42/66/14/887426614.db2.gz CFLLBWNSKZUCOU-UHFFFAOYSA-N 0 1 386.433 3.507 20 5 GHBDMN COC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000809696630 887672447 /nfs/dbraw/zinc/67/24/47/887672447.db2.gz NLYWPMAYIGNETB-QGZVFWFLSA-N 0 1 398.337 3.782 20 5 GHBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[C@H](NC(=O)OC(C)(C)C)[C@@H]1C ZINC000809770607 887758786 /nfs/dbraw/zinc/75/87/86/887758786.db2.gz CNPNJNGHXPHWAT-UPEZTMAHSA-N 0 1 375.469 3.986 20 5 GHBDMN CC(C)[C@H](CC(F)(F)F)NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809837294 887857037 /nfs/dbraw/zinc/85/70/37/887857037.db2.gz XAASIWPUVIZSFQ-VIFPVBQESA-N 0 1 392.758 3.643 20 5 GHBDMN CN(CCCN(C)C(=O)Nc1cccc([N+](=O)[O-])c1Cl)Cc1ccco1 ZINC000809911690 887930590 /nfs/dbraw/zinc/93/05/90/887930590.db2.gz UFZRMIZIGKDKOK-UHFFFAOYSA-N 0 1 380.832 3.827 20 5 GHBDMN CC(C)(C)OC(=O)N1CC[C@H](NCc2c(F)cc([N+](=O)[O-])cc2F)C(C)(C)C1 ZINC000796060267 913213609 /nfs/dbraw/zinc/21/36/09/913213609.db2.gz BVROOSZTVFEXKV-INIZCTEOSA-N 0 1 399.438 3.998 20 5 GHBDMN O=[N+]([O-])c1ccc(N2CCC(NCc3ncc(Br)s3)CC2)cc1 ZINC000866617229 888970652 /nfs/dbraw/zinc/97/06/52/888970652.db2.gz ZREVLXNFHUTMEJ-UHFFFAOYSA-N 0 1 397.298 3.572 20 5 GHBDMN O=C(c1cc(-c2ccc(Cl)cc2)[nH]n1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000488114527 889024112 /nfs/dbraw/zinc/02/41/12/889024112.db2.gz TZTDMYIRJSPOSK-UHFFFAOYSA-N 0 1 382.807 3.837 20 5 GHBDMN Cc1cccc(C)c1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000533005679 889505648 /nfs/dbraw/zinc/50/56/48/889505648.db2.gz OSOJIRJPKVVMDG-UHFFFAOYSA-N 0 1 385.239 3.775 20 5 GHBDMN O=C(Nc1ccc(-c2n[nH]c(-c3ccccc3)n2)cc1)c1ccc([N+](=O)[O-])cn1 ZINC000533015624 889560310 /nfs/dbraw/zinc/56/03/10/889560310.db2.gz SQGOFGRDAGAXOH-UHFFFAOYSA-N 0 1 386.371 3.694 20 5 GHBDMN O=C(Nc1ccc(-c2nc(-c3ccccc3)n[nH]2)cc1)c1ccc([N+](=O)[O-])cn1 ZINC000533015624 889560315 /nfs/dbraw/zinc/56/03/15/889560315.db2.gz SQGOFGRDAGAXOH-UHFFFAOYSA-N 0 1 386.371 3.694 20 5 GHBDMN Cc1sc(Br)cc1S(=O)(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000122334743 889652275 /nfs/dbraw/zinc/65/22/75/889652275.db2.gz UWUDTCCXOJOWSQ-UHFFFAOYSA-N 0 1 395.231 3.667 20 5 GHBDMN CN(CCNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000811477698 889664321 /nfs/dbraw/zinc/66/43/21/889664321.db2.gz XSHMGDKDHFVWDJ-UHFFFAOYSA-N 0 1 378.256 3.858 20 5 GHBDMN O=C(N[C@@H](c1ccccc1)[C@H](O)c1ccccc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000811547556 889732896 /nfs/dbraw/zinc/73/28/96/889732896.db2.gz NDVTWPPGPFUAJN-VQTJNVASSA-N 0 1 378.384 3.505 20 5 GHBDMN O=C(NCc1cc(F)ccc1Oc1ccc(F)c(Cl)c1)[C@@H]1CC1[N+](=O)[O-] ZINC001132969716 889889998 /nfs/dbraw/zinc/88/99/98/889889998.db2.gz UOQDRRULMMEDPP-IUODEOHRSA-N 0 1 382.750 3.692 20 5 GHBDMN Cc1c([N+](=O)[O-])ccc(F)c1NS(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000812319313 890538019 /nfs/dbraw/zinc/53/80/19/890538019.db2.gz CZDOHKRIBGRGTN-UHFFFAOYSA-N 0 1 384.332 3.923 20 5 GHBDMN O=C([O-])/C=C\c1ccc(N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000917062730 890898551 /nfs/dbraw/zinc/89/85/51/890898551.db2.gz WHSMNWRMVORNSG-LECLMCCNSA-N 0 1 381.432 3.769 20 5 GHBDMN Cc1ccc(Br)c(S(=O)(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1 ZINC000123803576 891031116 /nfs/dbraw/zinc/03/11/16/891031116.db2.gz XQGGGAQRCAQYGA-UHFFFAOYSA-N 0 1 389.202 3.606 20 5 GHBDMN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1ccccc1CS(C)(=O)=O ZINC000872040829 891130462 /nfs/dbraw/zinc/13/04/62/891130462.db2.gz NONFOYHLJUZYPA-CYBMUJFWSA-N 0 1 394.518 3.712 20 5 GHBDMN CC(C)(C)OC(=O)N1CC[C@@H]2CN(C/C=C\c3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000814175947 892331965 /nfs/dbraw/zinc/33/19/65/892331965.db2.gz KTNKAUIIYCVUEY-OFLQAFCJSA-N 0 1 387.480 3.939 20 5 GHBDMN C[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1cccc(OCc2ccccn2)c1 ZINC000476007426 892365285 /nfs/dbraw/zinc/36/52/85/892365285.db2.gz OMEPHVUQPZKUFJ-CQSZACIVSA-N 0 1 393.399 3.765 20 5 GHBDMN CN1CCN(c2ccc([N+](=O)[O-])c(NC(=O)c3ccc4sccc4c3)c2)CC1 ZINC001134197055 892459679 /nfs/dbraw/zinc/45/96/79/892459679.db2.gz BICNTZFKNFOKTC-UHFFFAOYSA-N 0 1 396.472 3.814 20 5 GHBDMN C[C@H](NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1Oc2ccccc2[C@H]1C ZINC000542610359 892647339 /nfs/dbraw/zinc/64/73/39/892647339.db2.gz KWMPWHRCZPMSMP-NQCMUKECSA-N 0 1 380.404 3.688 20 5 GHBDMN C[C@H]1CN(C(C)(C)CNc2ccc([N+](=O)[O-])cc2C(F)(F)F)C[C@H](C)O1 ZINC000497970065 892836628 /nfs/dbraw/zinc/83/66/28/892836628.db2.gz YUOSAZVLDSEUPA-RYUDHWBXSA-N 0 1 375.391 3.913 20 5 GHBDMN O=C([C@H]1CCCCN1Cc1ccccc1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000533841821 893191005 /nfs/dbraw/zinc/19/10/05/893191005.db2.gz XWSZXETWTCSJPX-OAQYLSRUSA-N 0 1 379.460 3.534 20 5 GHBDMN Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)c(C)c1 ZINC000918142788 893261497 /nfs/dbraw/zinc/26/14/97/893261497.db2.gz JLBYENXLTMRFSQ-UHFFFAOYSA-N 0 1 385.239 3.775 20 5 GHBDMN Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N[C@@H](C[N@@H+](C)Cc2ccccc2)C(C)C)n1 ZINC000563208181 893481483 /nfs/dbraw/zinc/48/14/83/893481483.db2.gz QMRYFFWUGBHLBS-KRWDZBQOSA-N 0 1 386.452 3.565 20 5 GHBDMN CCOC(=O)c1cccc2nc(NC(=O)c3cc([N+](=O)[O-])c(C)cc3C)[nH]c21 ZINC001134940367 893645079 /nfs/dbraw/zinc/64/50/79/893645079.db2.gz CYCXMPGBOXGQHE-UHFFFAOYSA-N 0 1 382.376 3.517 20 5 GHBDMN O=C(Nc1ccc2nc(C3CCCCC3)[nH]c2c1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC001137122244 893666696 /nfs/dbraw/zinc/66/66/96/893666696.db2.gz ULGWQTRUAAKGCU-UHFFFAOYSA-N 0 1 381.392 3.872 20 5 GHBDMN CC(C)Cn1cc([C@@H]2N(CCc3ccc([N+](=O)[O-])cc3)CC23CCOCC3)cn1 ZINC000877633051 893733996 /nfs/dbraw/zinc/73/39/96/893733996.db2.gz XOOAVAPLNHPZKA-NRFANRHFSA-N 0 1 398.507 3.844 20 5 GHBDMN CCc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)c2ccccc2n1 ZINC000194681163 893897304 /nfs/dbraw/zinc/89/73/04/893897304.db2.gz RFDGYRZJKPVRQA-UHFFFAOYSA-N 0 1 387.417 3.515 20 5 GHBDMN C[C@H](N[C@H]1CCCN(c2ccccc2Cl)C1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815583910 894023718 /nfs/dbraw/zinc/02/37/18/894023718.db2.gz QZLBWJLTWSDBMF-LRDDRELGSA-N 0 1 388.855 3.677 20 5 GHBDMN O=[N+]([O-])c1ccc(CN2CCC(c3cc(-c4ccncc4)n[nH]3)CC2)cc1F ZINC000878862318 894678852 /nfs/dbraw/zinc/67/88/52/894678852.db2.gz GDTRCQNSJDAGKU-UHFFFAOYSA-N 0 1 381.411 3.899 20 5 GHBDMN Cc1c(CC(=O)Nc2ccc3oc(CN4CCCC4)nc3c2)cccc1[N+](=O)[O-] ZINC000816766133 895063067 /nfs/dbraw/zinc/06/30/67/895063067.db2.gz KOFWLLNJIODDNI-UHFFFAOYSA-N 0 1 394.431 3.821 20 5 GHBDMN CCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(-c2coc(C)n2)cc1 ZINC000564557227 895078555 /nfs/dbraw/zinc/07/85/55/895078555.db2.gz DCGJZKGNUMTOFJ-UHFFFAOYSA-N 0 1 387.417 3.921 20 5 GHBDMN Cc1csc([C@H]2CCN([C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)n1 ZINC000880007539 895445973 /nfs/dbraw/zinc/44/59/73/895445973.db2.gz JCBOCFOAKXQWJO-OCCSQVGLSA-N 0 1 385.449 3.960 20 5 GHBDMN CC(C)C1CCC(N2CCN(c3c([N+](=O)[O-])cccc3[N+](=O)[O-])CC2)CC1 ZINC001185611531 913990227 /nfs/dbraw/zinc/99/02/27/913990227.db2.gz IXLYYRDPZANPAJ-UHFFFAOYSA-N 0 1 376.457 3.840 20 5 GHBDMN Cc1nc(-c2ccccc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cs1 ZINC000218662797 895989953 /nfs/dbraw/zinc/98/99/53/895989953.db2.gz OGVKGHMYASQZLZ-UHFFFAOYSA-N 0 1 375.431 3.828 20 5 GHBDMN O=[N+]([O-])c1cc(CNC[C@@H](O)c2c(F)cccc2F)cc(C(F)(F)F)c1 ZINC000819266312 896553514 /nfs/dbraw/zinc/55/35/14/896553514.db2.gz CKKPCSARDRZMNM-CQSZACIVSA-N 0 1 376.281 3.715 20 5 GHBDMN Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1OCC(F)F ZINC000567056743 896837138 /nfs/dbraw/zinc/83/71/38/896837138.db2.gz XIFULDOGFOLGAK-UHFFFAOYSA-N 0 1 386.376 3.656 20 5 GHBDMN C[C@H]1CCCC[N@H+]1CCC1CCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CC1 ZINC000567978334 897518191 /nfs/dbraw/zinc/51/81/91/897518191.db2.gz BDURZCFUVCZGKK-HNNXBMFYSA-N 0 1 375.469 3.774 20 5 GHBDMN COc1ccc([C@@H](C)N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1F ZINC000042640179 897687503 /nfs/dbraw/zinc/68/75/03/897687503.db2.gz QIKMNERIBXRTBQ-CHWSQXEVSA-N 0 1 375.400 3.729 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N2C[C@H](c3cccc(Cl)c3)OC[C@H]2C)c1[N+](=O)[O-] ZINC000331670763 899071878 /nfs/dbraw/zinc/07/18/78/899071878.db2.gz YUFWDPXCZYJVMT-BXUZGUMPSA-N 0 1 392.843 3.697 20 5 GHBDMN C[C@@H](c1cccc(Br)c1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000332449035 899678056 /nfs/dbraw/zinc/67/80/56/899678056.db2.gz LVWWPICWULCOGM-LBPRGKRZSA-N 0 1 379.258 3.952 20 5 GHBDMN O=[N+]([O-])c1cccc(Br)c1CN1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000824696252 899771866 /nfs/dbraw/zinc/77/18/66/899771866.db2.gz JFWNLSMQVYZNLF-XGWLTEMNSA-N 0 1 383.286 3.873 20 5 GHBDMN CC(C)c1ccc(CN2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000824827954 899850490 /nfs/dbraw/zinc/85/04/90/899850490.db2.gz JYHQZTOBPTVJHX-HUUCEWRRSA-N 0 1 399.413 3.561 20 5 GHBDMN COc1cccc(-c2nc(C)c(C(=O)OCc3ccc([N+](=O)[O-])c(OC)c3)[nH]2)c1 ZINC000778841617 900401284 /nfs/dbraw/zinc/40/12/84/900401284.db2.gz OUNFVFXVVPBNDI-UHFFFAOYSA-N 0 1 397.387 3.668 20 5 GHBDMN COc1cc(COC(=O)c2[nH]c(-c3cccc(C)c3)nc2C)ccc1[N+](=O)[O-] ZINC000778841618 900401777 /nfs/dbraw/zinc/40/17/77/900401777.db2.gz OUPFLWVLOQWHQE-UHFFFAOYSA-N 0 1 381.388 3.967 20 5 GHBDMN O=[N+]([O-])c1ncccc1CN1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000886060024 900697727 /nfs/dbraw/zinc/69/77/27/900697727.db2.gz RVNZHVQOTOJPSL-HNNXBMFYSA-N 0 1 383.383 3.559 20 5 GHBDMN O=[N+]([O-])c1ncccc1CNC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000886175161 900861567 /nfs/dbraw/zinc/86/15/67/900861567.db2.gz SEQDNMPATFWUCH-UHFFFAOYSA-N 0 1 381.354 3.804 20 5 GHBDMN CC(C)(C)OC(=O)NCCC1CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000844443339 900865188 /nfs/dbraw/zinc/86/51/88/900865188.db2.gz WAZHGALPPINYPX-UHFFFAOYSA-N 0 1 381.448 3.861 20 5 GHBDMN COCCCN[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000067472291 901057171 /nfs/dbraw/zinc/05/71/71/901057171.db2.gz JEPLOKIQGGLWCT-QGZVFWFLSA-N 0 1 377.828 3.554 20 5 GHBDMN CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000575353883 901207131 /nfs/dbraw/zinc/20/71/31/901207131.db2.gz GQSPILOQRCBRCF-JOCHJYFZSA-N 0 1 379.460 3.900 20 5 GHBDMN CN1CCN(Cn2c3cc([N+](=O)[O-])ccc3oc2=S)[C@@H](Cc2ccccc2)C1 ZINC000844742051 901220923 /nfs/dbraw/zinc/22/09/23/901220923.db2.gz NAWUGWPOEIRQDB-KRWDZBQOSA-N 0 1 398.488 3.688 20 5 GHBDMN C[C@H]1C[N@@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CC[C@@H]1C(=O)[O-] ZINC000600798362 902932243 /nfs/dbraw/zinc/93/22/43/902932243.db2.gz ALNBZKCGHNBLCF-YJBOKZPZSA-N 0 1 383.448 3.905 20 5 GHBDMN Cc1[nH]nc(C(=O)N2CCC[C@@H](c3nc4ccccc4n3C(C)C)C2)c1[N+](=O)[O-] ZINC000265119979 903645550 /nfs/dbraw/zinc/64/55/50/903645550.db2.gz NMIKFAIPEIUEFQ-CQSZACIVSA-N 0 1 396.451 3.577 20 5 GHBDMN CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc3nc([C@H]4CCCO4)[nH]c3c2)c1 ZINC000282771286 904307761 /nfs/dbraw/zinc/30/77/61/904307761.db2.gz DVUREPRNTUTZHN-GOSISDBHSA-N 0 1 396.403 3.974 20 5 GHBDMN Cc1ccc([C@@H](C)NCc2cccc(NC(=O)[C@@H]3CCCO3)c2)cc1[N+](=O)[O-] ZINC000153386002 904359228 /nfs/dbraw/zinc/35/92/28/904359228.db2.gz UJCMRJSZEGLKCA-QRWLVFNGSA-N 0 1 383.448 3.872 20 5 GHBDMN C[C@H]1CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCc2ccc(F)cc21 ZINC001171671559 904911945 /nfs/dbraw/zinc/91/19/45/904911945.db2.gz XKUKPYFQPHUEPO-ZDUSSCGKSA-N 0 1 382.395 3.946 20 5 GHBDMN CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1CN(Cc1ccc(F)cc1[N+](=O)[O-])C2 ZINC001171785819 905046250 /nfs/dbraw/zinc/04/62/50/905046250.db2.gz KOZATHUJZGXOJH-YWZLYKJASA-N 0 1 393.459 3.861 20 5 GHBDMN CCOC[C@H]1CN([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)Cc2cn(CC)nc21 ZINC001172909478 906016551 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COC(=O)c1cc([N+](=O)[O-])ccc1O[C@@H]1CCN(Cc2ccccc2Cl)C1 ZINC001229059609 1033254954 /nfs/dbraw/zinc/25/49/54/1033254954.db2.gz SBXBXOIQZQIDSS-OAHLLOKOSA-N 0 1 390.823 3.688 20 5 GHBDMN O=[N+]([O-])c1cc(Br)ccc1NCCN1CCc2ccccc2C1 ZINC001162098978 1025604296 /nfs/dbraw/zinc/60/42/96/1025604296.db2.gz KCWAUWUHEXJGDK-UHFFFAOYSA-N 0 1 376.254 3.828 20 5 GHBDMN CC(C)(C)N1CC[C@H]1CNC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC001166494301 1027013704 /nfs/dbraw/zinc/01/37/04/1027013704.db2.gz TXKCLBZAQCGMHY-QMMMGPOBSA-N 0 1 378.231 3.643 20 5 GHBDMN O=[N+]([O-])c1ccc2oc(=S)n(CN3CCCC[C@@H]3[C@H]3CCC[C@H]3O)c2c1 ZINC000840114381 1027223105 /nfs/dbraw/zinc/22/31/05/1027223105.db2.gz HOSQEFOGJPHLKR-IIAWOOMASA-N 0 1 377.466 3.845 20 5 GHBDMN CC(C)(C)c1nsc(Oc2ccc(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cc2Cl)n1 ZINC000840431595 1027531432 /nfs/dbraw/zinc/53/14/32/1027531432.db2.gz ZRYQMBQUURMEFV-MWLCHTKSSA-N 0 1 396.856 3.885 20 5 GHBDMN C[C@@H](C[C@@H](O)c1ccccc1)NCc1c(Br)cccc1[N+](=O)[O-] ZINC001461415924 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Nc1cc(OC2CCN(c3cccc(F)c3[N+](=O)[O-])CC2)c2ccccc2n1 ZINC001226422438 1031955664 /nfs/dbraw/zinc/95/56/64/1031955664.db2.gz MPZFOHZHVIRCAN-UHFFFAOYSA-N 0 1 382.395 3.912 20 5 GHBDMN C[C@H](c1ccccn1)N1CCC[C@@H](Oc2ncnc3cc([N+](=O)[O-])ccc32)C1 ZINC001229400971 1033458135 /nfs/dbraw/zinc/45/81/35/1033458135.db2.gz BQWGFZZXACXYBG-GDBMZVCRSA-N 0 1 379.420 3.537 20 5 GHBDMN Cc1cc(Br)cc([N+](=O)[O-])c1O[C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001230937087 1034298093 /nfs/dbraw/zinc/29/80/93/1034298093.db2.gz GLDXLUVIWUWHSV-SHTZXODSSA-N 0 1 399.285 3.688 20 5 GHBDMN Cc1ccc2[nH]nnc2c1NC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC001159304911 1034535215 /nfs/dbraw/zinc/53/52/15/1034535215.db2.gz RUSDMXDPWNCOES-UHFFFAOYSA-N 0 1 384.154 3.873 20 5 GHBDMN C[C@H]1CN(Cc2ccc3ccc4cccnc4c3n2)CC[C@@]1(O)C(F)(F)F ZINC001232217879 1035167246 /nfs/dbraw/zinc/16/72/46/1035167246.db2.gz BAPILASLRGNKKR-DJJJIMSYSA-N 0 1 375.394 3.918 20 5 GHBDMN c1cnc2c(c1)ccc1ccc(C[N@@H+]3CCCN(Cc4ccncc4)CC3)nc12 ZINC001232219719 1035168420 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0 1 379.460 3.646 20 5 GHBDMN COc1ccc(-c2nc(CN[C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)cs2)cc1 ZINC001254581418 1040356633 /nfs/dbraw/zinc/35/66/33/1040356633.db2.gz JVBSLAGFAQNYKA-MRXNPFEDSA-N 0 1 381.457 3.984 20 5 GHBDMN Cc1cc([O-])c(-c2nnc([C@@H]3CC[N@@H+](Cc4ccccc4)C3)o2)cc1[N+](=O)[O-] ZINC001255485890 1041083054 /nfs/dbraw/zinc/08/30/54/1041083054.db2.gz DIKDZOADGCPGEX-OAHLLOKOSA-N 0 1 380.404 3.648 20 5 GHBDMN O=[N+]([O-])c1cc(O)cc(-c2nnc(-c3ccc(Cn4cc(Cl)cn4)cc3)o2)c1 ZINC001257183333 1043923784 /nfs/dbraw/zinc/92/37/84/1043923784.db2.gz VONSREVWZVKTGU-UHFFFAOYSA-N 0 1 397.778 3.916 20 5 GHBDMN C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)[C@@H](C)CN1Cc1ccccc1 ZINC001266227187 1047720141 /nfs/dbraw/zinc/72/01/41/1047720141.db2.gz XSNWYQGHGBKUQR-XKPGHWPRSA-N 0 1 393.487 3.820 20 5 GHBDMN O=C(Nc1nc2cc(Br)c(F)cc2[nH]1)c1cc(F)ccc1[N+](=O)[O-] ZINC001305035424 1047846509 /nfs/dbraw/zinc/84/65/09/1047846509.db2.gz WIEOHZUKORBTPZ-UHFFFAOYSA-N 0 1 397.135 3.764 20 5 GHBDMN CN1CCN(c2ccc(NCc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)cn2)CC1 ZINC001308325890 1049949367 /nfs/dbraw/zinc/94/93/67/1049949367.db2.gz VWBUNZDTIOQFIF-UHFFFAOYSA-N 0 1 393.447 3.614 20 5 GHBDMN C[C@]1(c2ccccc2)CC[C@H](N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001308571345 1050014644 /nfs/dbraw/zinc/01/46/44/1050014644.db2.gz SJWDIBHQBBEUPY-GMAHTHKFSA-N 0 1 393.487 3.863 20 5 GHBDMN CC[C@H](C)Oc1cc(C)ccc1CNS(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC001309307651 1050578044 /nfs/dbraw/zinc/57/80/44/1050578044.db2.gz GXOOAONRTCDNDV-LBPRGKRZSA-N 0 1 398.506 3.929 20 5 GHBDMN CC(C)(C)N1CCN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC001326560375 1057512078 /nfs/dbraw/zinc/51/20/78/1057512078.db2.gz FQQAJXWNBIUJQI-UHFFFAOYSA-N 0 1 382.333 3.564 20 5 GHBDMN O=C(Nc1nc2cc(Br)c(F)cc2[nH]1)c1ccc([N+](=O)[O-])s1 ZINC001440030976 1058394094 /nfs/dbraw/zinc/39/40/94/1058394094.db2.gz BLSRVTYAUVAKTR-UHFFFAOYSA-N 0 1 385.174 3.687 20 5 GHBDMN O=C(Nc1c(=O)[nH][nH]c1-c1ccccc1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001450174263 1060546632 /nfs/dbraw/zinc/54/66/32/1060546632.db2.gz XHCWTTREMYMRKZ-UHFFFAOYSA-N 0 1 392.293 3.962 20 5 GHBDMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC001347390937 1062346744 /nfs/dbraw/zinc/34/67/44/1062346744.db2.gz HSBUSFDIZCPZDR-UHFFFAOYSA-N 0 1 380.836 3.515 20 5 GHBDMN CN(C)[C@@H](CNc1ncnc2c(Cl)cc([N+](=O)[O-])cc12)c1ccsc1 ZINC001347758279 1062633325 /nfs/dbraw/zinc/63/33/25/1062633325.db2.gz BWFDQUGVXUBIDO-AWEZNQCLSA-N 0 1 377.857 3.968 20 5 GHBDMN CCN1C[C@H](C)N(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)C[C@@H]1C ZINC001435741758 1062904776 /nfs/dbraw/zinc/90/47/76/1062904776.db2.gz YHZRZHLYPPWWQQ-IRXDYDNUSA-N 0 1 396.491 3.762 20 5 GHBDMN CC(C)[C@H]1CN(Cc2ccccc2)CCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC001437873241 1063945210 /nfs/dbraw/zinc/94/52/10/1063945210.db2.gz NUWQOQSEBIZQPJ-OAQYLSRUSA-N 0 1 381.476 3.506 20 5 GHBDMN CCN1CCN(c2cc(N(C)C(=O)CCC3CCCC3)cc([N+](=O)[O-])c2)CC1 ZINC001438316643 1064029543 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QYRTVIYJQRAZTH-ZBFHGGJFSA-N 0 1 378.469 3.793 20 5 GHBDMN Cc1cc2c(cc1Br)CN(Cc1cc(O)ccc1[N+](=O)[O-])CC2 ZINC001460825719 1069203607 /nfs/dbraw/zinc/20/36/07/1069203607.db2.gz LCGMWRTZIUBDOA-UHFFFAOYSA-N 0 1 377.238 3.930 20 5 GHBDMN O=C(Nc1ccc(-n2ccc(=O)[nH]2)cc1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001470670547 1072679315 /nfs/dbraw/zinc/67/93/15/1072679315.db2.gz WDMLPQVXZXQRJR-UHFFFAOYSA-N 0 1 392.293 3.757 20 5 GHBDMN O=C(Nc1nccc2c1cccc2[N+](=O)[O-])c1cn[nH]c1-c1ccc(F)cc1 ZINC001472588621 1073562957 /nfs/dbraw/zinc/56/29/57/1073562957.db2.gz HQJKNNLPLKLJLA-UHFFFAOYSA-N 0 1 377.335 3.925 20 5 GHBDMN CCOC(=O)c1cc([N+](=O)[O-])c(Nc2cccc(N3CCC[NH+]=C3[O-])c2)cc1C ZINC001472712951 1073631071 /nfs/dbraw/zinc/63/10/71/1073631071.db2.gz APTYVJKSYYWPLB-UHFFFAOYSA-N 0 1 398.419 3.743 20 5 GHBDMN C[C@]1(CCc2ccccc2)CCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC001473213742 1073864261 /nfs/dbraw/zinc/86/42/61/1073864261.db2.gz XBLJUCKLNVQINR-QHCPKHFHSA-N 0 1 393.487 3.829 20 5 GHBDMN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNC[C@@H](O)C(F)(F)C(F)(F)F ZINC001474681536 1074511521 /nfs/dbraw/zinc/51/15/21/1074511521.db2.gz ADMPPPIIHQMFBI-MRVPVSSYSA-N 0 1 383.100 3.550 20 5 GHBDMN C[C@H](NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736136969 598356037 /nfs/dbraw/zinc/35/60/37/598356037.db2.gz VCMGAHDGZIHYRF-ZDUSSCGKSA-N 0 1 390.403 3.886 20 5 GHBDMN O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CC[C@H]2[C@H]1CCN2Cc1cccnc1 ZINC001164721771 720375973 /nfs/dbraw/zinc/37/59/73/720375973.db2.gz AYQRNGKMTDIZGS-UONOGXRCSA-N 0 1 394.262 3.545 20 5 GHBDMN COc1ccc(-c2ccc(CN3CCCN(CC(F)F)CC3)o2)c([N+](=O)[O-])c1 ZINC000580861154 837435659 /nfs/dbraw/zinc/43/56/59/837435659.db2.gz TZCJRPAOIJQKQD-UHFFFAOYSA-N 0 1 395.406 3.636 20 5 GHBDMN CCC[C@@H](N[C@H]1CCN(Cc2ccc(OC)cc2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000180912032 837680764 /nfs/dbraw/zinc/68/07/64/837680764.db2.gz BLJNBHXYAUKURB-RTWAWAEBSA-N 0 1 397.475 3.835 20 5 GHBDMN Cc1nc(-c2cccc(NS(=O)(=O)c3csc([N+](=O)[O-])c3)c2)cs1 ZINC000120124820 834577794 /nfs/dbraw/zinc/57/77/94/834577794.db2.gz FTLMLSYJAACIBQ-UHFFFAOYSA-N 0 1 381.460 3.889 20 5 GHBDMN CCCc1c(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cnn1-c1ccccc1C ZINC000430157233 834640974 /nfs/dbraw/zinc/64/09/74/834640974.db2.gz PSLQKGKVRUXXRS-UHFFFAOYSA-N 0 1 380.404 3.999 20 5 GHBDMN CC[C@H](NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(Cl)cc1 ZINC000024254579 834685474 /nfs/dbraw/zinc/68/54/74/834685474.db2.gz DDFHMFWZRASMLJ-ZDUSSCGKSA-N 0 1 391.811 3.656 20 5 GHBDMN C[C@H]1CN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)Cc2ccccc2O1 ZINC000430165766 834725238 /nfs/dbraw/zinc/72/52/38/834725238.db2.gz NNQSTTQQFAWGOM-HNNXBMFYSA-N 0 1 378.432 3.778 20 5 GHBDMN CSc1ccccc1S(=O)(=O)Nc1ccc([N+](=O)[O-])c2ncccc12 ZINC000187072572 835000999 /nfs/dbraw/zinc/00/09/99/835000999.db2.gz UHHNXAWYHAMOPF-UHFFFAOYSA-N 0 1 375.431 3.666 20 5 GHBDMN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc(Cl)c(C[NH+](C)C)c2)cc1C ZINC000500786467 844014185 /nfs/dbraw/zinc/01/41/85/844014185.db2.gz KMKNYLAKDSVGFM-UHFFFAOYSA-N 0 1 397.884 3.727 20 5 GHBDMN Cc1cc(N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000573004024 835076926 /nfs/dbraw/zinc/07/69/26/835076926.db2.gz KBGSGYMQJGDUKB-YJBOKZPZSA-N 0 1 383.448 3.924 20 5 GHBDMN CC[C@H](C)N(CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)Cc1ccccc1 ZINC000061759982 835207947 /nfs/dbraw/zinc/20/79/47/835207947.db2.gz PBLCOFCBFGKVKG-AWEZNQCLSA-N 0 1 385.420 3.563 20 5 GHBDMN COc1ccc(CNC(=O)C2CCN([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000472363426 835565179 /nfs/dbraw/zinc/56/51/79/835565179.db2.gz YLOPJUGETRQLQN-INIZCTEOSA-N 0 1 397.475 3.693 20 5 GHBDMN CCOc1ccc([C@H](C)N[C@@H]2CCCN(Cc3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000179495989 835742712 /nfs/dbraw/zinc/74/27/12/835742712.db2.gz CJBSAYJAKJSGHD-QFBILLFUSA-N 0 1 397.475 3.835 20 5 GHBDMN C[C@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1cccc(OC(F)F)c1 ZINC000179589156 835886947 /nfs/dbraw/zinc/88/69/47/835886947.db2.gz ASWGFVPVJUZTES-LBPRGKRZSA-N 0 1 379.363 3.510 20 5 GHBDMN Cc1[nH]c(SCc2ccc(C(N)=O)cc2[N+](=O)[O-])nc1Cc1ccccc1 ZINC000016813374 836181822 /nfs/dbraw/zinc/18/18/22/836181822.db2.gz QKWQPOSCPWJQLU-UHFFFAOYSA-N 0 1 382.445 3.608 20 5 GHBDMN CSCc1cc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)ccc1F ZINC000175343391 836248802 /nfs/dbraw/zinc/24/88/02/836248802.db2.gz VULQCMPSKYLJQP-UHFFFAOYSA-N 0 1 387.396 3.634 20 5 GHBDMN O=C(Nc1cccc(CN2CCSCC2)c1)c1cc(F)c([N+](=O)[O-])cc1F ZINC000155083139 836349645 /nfs/dbraw/zinc/34/96/45/836349645.db2.gz ZMARRGCDNDGOLO-UHFFFAOYSA-N 0 1 393.415 3.674 20 5 GHBDMN COc1ccc(OCCN2CC3(CCOCC3)[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000411997972 836488392 /nfs/dbraw/zinc/48/83/92/836488392.db2.gz JQXUZSFWSABMHK-OAQYLSRUSA-N 0 1 398.459 3.836 20 5 GHBDMN CC[C@H](NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000247022738 836583955 /nfs/dbraw/zinc/58/39/55/836583955.db2.gz LVNUUJAZVNUJPD-FTRWYGJKSA-N 0 1 384.480 3.844 20 5 GHBDMN Cc1[nH]nc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3Br)ccc12 ZINC000180339078 837147674 /nfs/dbraw/zinc/14/76/74/837147674.db2.gz UKHYQNPLEKFZLN-UHFFFAOYSA-N 0 1 375.182 3.794 20 5 GHBDMN CC(C)(NCc1ccc(Br)c([N+](=O)[O-])c1)C(=O)NCC1CCCC1 ZINC000136042452 837952902 /nfs/dbraw/zinc/95/29/02/837952902.db2.gz PSIQCDCSUCKCLR-UHFFFAOYSA-N 0 1 398.301 3.532 20 5 GHBDMN CCOc1ccc([C@H](C)N[C@@H]2CCN(Cc3ccc(C)cc3)C2=O)cc1[N+](=O)[O-] ZINC000189089757 838068735 /nfs/dbraw/zinc/06/87/35/838068735.db2.gz DZTXKNCWUHMDHO-QFBILLFUSA-N 0 1 397.475 3.754 20 5 GHBDMN Cc1nn(CCC(=O)Nc2cccc3c2CN(CCC(C)C)C3)c(C)c1[N+](=O)[O-] ZINC000102733123 838201181 /nfs/dbraw/zinc/20/11/81/838201181.db2.gz DENKGAAYUOTHRI-UHFFFAOYSA-N 0 1 399.495 3.799 20 5 GHBDMN Cc1nc(-c2ccccc2)[nH]c1C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000728728051 838248286 /nfs/dbraw/zinc/24/82/86/838248286.db2.gz RZYHDXLILNXQJB-UHFFFAOYSA-N 0 1 395.371 3.517 20 5 GHBDMN CCc1cnccc1[C@@H](C)N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000541194195 838660169 /nfs/dbraw/zinc/66/01/69/838660169.db2.gz YEXGINAFGZBWAH-NEPJUHHUSA-N 0 1 376.844 3.883 20 5 GHBDMN O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3ccc(Cl)c4cccnc34)C2)nc1 ZINC000118866206 838733858 /nfs/dbraw/zinc/73/38/58/838733858.db2.gz OOTJRWHTHMVRCJ-AWEZNQCLSA-N 0 1 383.839 3.878 20 5 GHBDMN CCOc1ccc(NC(=O)CN[C@@H](C)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000025397582 844411721 /nfs/dbraw/zinc/41/17/21/844411721.db2.gz ZDRCJODEOGIQLI-LBPRGKRZSA-N 0 1 377.828 3.936 20 5 GHBDMN CCOC(=O)c1nc(Cl)c(Cl)nc1Nc1ccc(F)cc1[N+](=O)[O-] ZINC001210952242 839347943 /nfs/dbraw/zinc/34/79/43/839347943.db2.gz CDWYNXRIVLFTSJ-UHFFFAOYSA-N 0 1 375.143 3.751 20 5 GHBDMN CC[C@@H]1c2ccccc2CC[N@@H+]1Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000616135980 839426171 /nfs/dbraw/zinc/42/61/71/839426171.db2.gz GDZKMGHJOGUZCP-GOSISDBHSA-N 0 1 384.432 3.656 20 5 GHBDMN CC[C@@H]1c2ccccc2CCN1Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000616135980 839426179 /nfs/dbraw/zinc/42/61/79/839426179.db2.gz GDZKMGHJOGUZCP-GOSISDBHSA-N 0 1 384.432 3.656 20 5 GHBDMN CCCOCc1ccccc1CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000146875084 839929560 /nfs/dbraw/zinc/92/95/60/839929560.db2.gz IPLVNBMUPDPSLZ-UHFFFAOYSA-N 0 1 398.868 3.653 20 5 GHBDMN CC[C@H](CS(=O)(=O)c1ccccc1)N[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000181659294 840629484 /nfs/dbraw/zinc/62/94/84/840629484.db2.gz XFFZWYKUEWEUKK-JKSUJKDBSA-N 0 1 376.478 3.806 20 5 GHBDMN COc1ccc([C@@H](C)CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1 ZINC000176151391 844558371 /nfs/dbraw/zinc/55/83/71/844558371.db2.gz RKKRVTGQEUYVBK-LBPRGKRZSA-N 0 1 381.392 3.521 20 5 GHBDMN CC(C)OC[C@H](CO)N(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000581100438 840705102 /nfs/dbraw/zinc/70/51/02/840705102.db2.gz VMCUOXHCSJBWHG-AWEZNQCLSA-N 0 1 382.844 3.726 20 5 GHBDMN CCCn1c2ccccc2[nH]c1=NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000014626229 840781641 /nfs/dbraw/zinc/78/16/41/840781641.db2.gz KKIYBWKBWGOFTB-UHFFFAOYSA-N 0 1 393.447 3.629 20 5 GHBDMN COc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c(C(F)(F)F)c1 ZINC000511639730 841161818 /nfs/dbraw/zinc/16/18/18/841161818.db2.gz MQSFYICSTABQOR-UHFFFAOYSA-N 0 1 390.339 3.731 20 5 GHBDMN CC[C@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1OCC(=O)N(C)C ZINC000165700628 841360195 /nfs/dbraw/zinc/36/01/95/841360195.db2.gz ZSJUKQSUQFNBHW-BEFAXECRSA-N 0 1 385.464 3.864 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)c(OC[C@H](O)CN2CCc3ccccc3C2)c(Cl)c1 ZINC000555544611 861212145 /nfs/dbraw/zinc/21/21/45/861212145.db2.gz VXYJRVVAACYRTL-OAHLLOKOSA-N 0 1 397.258 3.700 20 5 GHBDMN COc1ccc(OC)c([C@H](O)CNc2cc(C)nc3ccc([N+](=O)[O-])cc32)c1 ZINC000302142670 861218111 /nfs/dbraw/zinc/21/81/11/861218111.db2.gz FVODCGPNUOIEQG-LJQANCHMSA-N 0 1 383.404 3.614 20 5 GHBDMN CN(C[C@H]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC000255324999 841700064 /nfs/dbraw/zinc/70/00/64/841700064.db2.gz VOQXEQCVTWAYIO-DZFYGRHCSA-N 0 1 375.469 3.797 20 5 GHBDMN COc1ccccc1N1CCN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000302199709 861234664 /nfs/dbraw/zinc/23/46/64/861234664.db2.gz UQOFGXKFFLJIEU-UHFFFAOYSA-N 0 1 378.432 3.787 20 5 GHBDMN O=C(Nc1cccc(-c2cn3c(n2)CCCC3)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000780391680 841778753 /nfs/dbraw/zinc/77/87/53/841778753.db2.gz GEGLUVGYDSFNGW-UHFFFAOYSA-N 0 1 378.388 3.753 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C)c(C(F)(F)F)c1 ZINC000500292642 841852300 /nfs/dbraw/zinc/85/23/00/841852300.db2.gz UFCRVWQWYRBBEX-UHFFFAOYSA-N 0 1 390.339 3.731 20 5 GHBDMN COc1ccc(CN2CCCN(Cc3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-] ZINC000603841226 861255271 /nfs/dbraw/zinc/25/52/71/861255271.db2.gz VIIJKRMXYGXCNA-UHFFFAOYSA-N 0 1 389.883 3.965 20 5 GHBDMN C[C@H](NC(=O)c1ccc(CN2CCSCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000512162557 842697390 /nfs/dbraw/zinc/69/73/90/842697390.db2.gz BSHJHQXVFVZDGN-HNNXBMFYSA-N 0 1 385.489 3.635 20 5 GHBDMN O=[N+]([O-])c1cc(CN[C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)c2c(c1)COCO2 ZINC000182115410 842890523 /nfs/dbraw/zinc/89/05/23/842890523.db2.gz RCXGEONDCGMVHW-IEBWSBKVSA-N 0 1 390.823 3.735 20 5 GHBDMN COc1ccc(OCc2nc(CNCCc3ccccc3[N+](=O)[O-])cs2)cc1 ZINC000548395239 843139556 /nfs/dbraw/zinc/13/95/56/843139556.db2.gz OWNPQHAVFFZPLN-UHFFFAOYSA-N 0 1 399.472 3.971 20 5 GHBDMN C[C@@H]1COCCN1C1CCN(C(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000647763590 843273264 /nfs/dbraw/zinc/27/32/64/843273264.db2.gz FKOCAPUMWHMHQH-QGZVFWFLSA-N 0 1 389.499 3.713 20 5 GHBDMN CCOc1cc(CN[C@@H](Cc2nc(C)no2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000277122374 844707989 /nfs/dbraw/zinc/70/79/89/844707989.db2.gz HWHLEDXMFKNXQQ-KRWDZBQOSA-N 0 1 382.420 3.759 20 5 GHBDMN Cn1ccnc1[C@H](NC[C@@H]1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000611560649 845460097 /nfs/dbraw/zinc/46/00/97/845460097.db2.gz MOCAGHOFKUFHCM-IIBYNOLFSA-N 0 1 376.460 3.812 20 5 GHBDMN Cn1ccnc1[C@H](NCCc1c[nH]c2ccccc12)c1ccc([N+](=O)[O-])cc1 ZINC000513661489 846227056 /nfs/dbraw/zinc/22/70/56/846227056.db2.gz PCEJJBNYVGEKJE-HXUWFJFHSA-N 0 1 375.432 3.731 20 5 GHBDMN COc1ccccc1[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccco1 ZINC000501642969 847071889 /nfs/dbraw/zinc/07/18/89/847071889.db2.gz TZHWXMVXYCYNIA-SFHVURJKSA-N 0 1 392.371 3.592 20 5 GHBDMN CC(C)c1nc([C@@H]2CCCCCN2C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])no1 ZINC000501792072 847187721 /nfs/dbraw/zinc/18/77/21/847187721.db2.gz UCGCPIHSGCTKHT-LBPRGKRZSA-N 0 1 390.444 3.705 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](CC(F)F)c1ccccc1 ZINC000420993025 847615224 /nfs/dbraw/zinc/61/52/24/847615224.db2.gz LQGUVILNFOCLLN-HNNXBMFYSA-N 0 1 379.363 3.528 20 5 GHBDMN Cc1cc(F)cc(C(=O)NC[C@H](c2cccs2)N2CCCC2)c1[N+](=O)[O-] ZINC000176683607 847661880 /nfs/dbraw/zinc/66/18/80/847661880.db2.gz PMMNDHRTXPHLQW-OAHLLOKOSA-N 0 1 377.441 3.671 20 5 GHBDMN Cc1ccc2nc([C@H]3CCCN3C(=O)Cc3cccc([N+](=O)[O-])c3C)[nH]c2c1 ZINC000178650442 848214947 /nfs/dbraw/zinc/21/49/47/848214947.db2.gz HHVKWKZDHMXGGQ-LJQANCHMSA-N 0 1 378.432 3.994 20 5 GHBDMN C[C@H](NCc1cc2c(c(Br)c1)OCO2)c1ccc([N+](=O)[O-])cc1 ZINC000178650601 848218278 /nfs/dbraw/zinc/21/82/78/848218278.db2.gz SPJDDVWGDDUMAH-JTQLQIEISA-N 0 1 379.210 3.937 20 5 GHBDMN CC1(C)C[C@H](NCC(=O)N[C@@H]2CCOc3ccccc32)c2cc([N+](=O)[O-])ccc21 ZINC000503904795 849751906 /nfs/dbraw/zinc/75/19/06/849751906.db2.gz UKIGDZBCALUQHY-MOPGFXCFSA-N 0 1 395.459 3.547 20 5 GHBDMN COc1cccc([C@H]2C[C@H](C)CN2C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)c1 ZINC000504367246 850046959 /nfs/dbraw/zinc/04/69/59/850046959.db2.gz BOJAEPDTIQFWQC-KPZWWZAWSA-N 0 1 380.404 3.703 20 5 GHBDMN NC1(c2noc(CCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])n2)CCCCC1 ZINC000424347375 850377628 /nfs/dbraw/zinc/37/76/28/850377628.db2.gz RBWYQJHCRUSMJO-UHFFFAOYSA-N 0 1 399.373 3.769 20 5 GHBDMN C[C@@H]1CN(Cc2ccc(-c3nc(-c4cccc([N+](=O)[O-])c4)no3)cc2)C[C@H](C)O1 ZINC000504968765 850492128 /nfs/dbraw/zinc/49/21/28/850492128.db2.gz IJORVMNULOKSHJ-GASCZTMLSA-N 0 1 394.431 3.921 20 5 GHBDMN C[C@@H]1CN(Cc2ccc(-c3nc(-c4cccc([N+](=O)[O-])c4)no3)cc2)C[C@@H](C)O1 ZINC000504968767 850492422 /nfs/dbraw/zinc/49/24/22/850492422.db2.gz IJORVMNULOKSHJ-HUUCEWRRSA-N 0 1 394.431 3.921 20 5 GHBDMN CCOc1ccc2nc(Sc3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)[nH]c2c1 ZINC000506813857 851006501 /nfs/dbraw/zinc/00/65/01/851006501.db2.gz HTZDDAQVNCUFJH-UHFFFAOYSA-N 0 1 384.417 3.906 20 5 GHBDMN CC(C)(C)N1CCc2nc(NC(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)sc2C1 ZINC000425077439 851066093 /nfs/dbraw/zinc/06/60/93/851066093.db2.gz IBNHGOORTMVDQL-UHFFFAOYSA-N 0 1 399.476 3.942 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(CCCO)[C@@H]1CCCc2ccccc21 ZINC000174909119 851076668 /nfs/dbraw/zinc/07/66/68/851076668.db2.gz JCKACMCOARRYCW-OAQYLSRUSA-N 0 1 397.475 3.604 20 5 GHBDMN CN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000604521196 862241991 /nfs/dbraw/zinc/24/19/91/862241991.db2.gz BSXVBURHUUUHHO-AVRDEDQJSA-N 0 1 397.475 3.657 20 5 GHBDMN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000516006480 852039015 /nfs/dbraw/zinc/03/90/15/852039015.db2.gz NPGWVELYQIIHAB-HNNXBMFYSA-N 0 1 379.526 3.656 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1CCCN([C@H](C)c2ccccc2F)C1=O ZINC000550257396 852196419 /nfs/dbraw/zinc/19/64/19/852196419.db2.gz ZUGVMXNEDQPJDY-FOIQADDNSA-N 0 1 385.439 3.884 20 5 GHBDMN O=C(Nc1ncc(C(F)(F)F)[nH]1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000506923289 852340332 /nfs/dbraw/zinc/34/03/32/852340332.db2.gz PATMIUXUCTZWMD-UHFFFAOYSA-N 0 1 383.311 3.713 20 5 GHBDMN C[C@@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1cc(Cl)ccc1Cl ZINC000426774685 852380492 /nfs/dbraw/zinc/38/04/92/852380492.db2.gz PNAZIVFEXXDTKW-BXUZGUMPSA-N 0 1 385.247 3.992 20 5 GHBDMN O=C(NCCCc1cccc(C(F)(F)F)c1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000506969912 852403188 /nfs/dbraw/zinc/40/31/88/852403188.db2.gz HAGOTHUCAATLPR-UHFFFAOYSA-N 0 1 392.337 3.853 20 5 GHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2-n2cccc2)cc1 ZINC000517807101 852430851 /nfs/dbraw/zinc/43/08/51/852430851.db2.gz NTOIJHWTHCCJRH-UHFFFAOYSA-N 0 1 377.809 3.840 20 5 GHBDMN COCCO[C@@H]1CCN(Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000438546603 852540359 /nfs/dbraw/zinc/54/03/59/852540359.db2.gz QCGBPMFBIONVBZ-LJQANCHMSA-N 0 1 385.464 3.600 20 5 GHBDMN C[C@@H](Cc1cc(Br)ccc1F)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000507082167 852546318 /nfs/dbraw/zinc/54/63/18/852546318.db2.gz DCNZRAAJSZNGMT-VIFPVBQESA-N 0 1 397.200 3.563 20 5 GHBDMN O=C(N[C@@H](c1cccc(Cl)c1)c1ccccn1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000507278342 852748515 /nfs/dbraw/zinc/74/85/15/852748515.db2.gz IKDQCFZOJNCZFA-SFHVURJKSA-N 0 1 383.791 3.868 20 5 GHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000507289722 852763402 /nfs/dbraw/zinc/76/34/02/852763402.db2.gz HNNQQOZMQWCJLZ-HNNXBMFYSA-N 0 1 376.796 3.637 20 5 GHBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2cnn(C(C)C)c2c1 ZINC000509584446 853012014 /nfs/dbraw/zinc/01/20/14/853012014.db2.gz MCGBUKULKCCBOF-UHFFFAOYSA-N 0 1 388.449 3.889 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc2nc(-c3ccccn3)[nH]c2c1 ZINC000427364739 853030524 /nfs/dbraw/zinc/03/05/24/853030524.db2.gz CFARJLJOIUWTHS-UHFFFAOYSA-N 0 1 389.371 3.794 20 5 GHBDMN O=C(Nc1nc(-c2cccc(C(F)(F)F)c2)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000490608168 853134376 /nfs/dbraw/zinc/13/43/76/853134376.db2.gz NRIAZQDPMKXLGI-UHFFFAOYSA-N 0 1 377.282 3.651 20 5 GHBDMN Cc1cccc2c(CCC(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)n[nH]3)c[nH]c21 ZINC000439192131 853394261 /nfs/dbraw/zinc/39/42/61/853394261.db2.gz NZVGVQDCGWALHM-UHFFFAOYSA-N 0 1 390.403 3.741 20 5 GHBDMN CC(C)(C)OC(=O)[C@@]12CCC[C@H]1CN(Cc1nc3cc([N+](=O)[O-])ccc3o1)C2 ZINC000439483211 853710151 /nfs/dbraw/zinc/71/01/51/853710151.db2.gz GNWMPMXTOXLEMW-RNODOKPDSA-N 0 1 387.436 3.680 20 5 GHBDMN CC[C@H](c1ccccc1)N1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC001126497513 853734654 /nfs/dbraw/zinc/73/46/54/853734654.db2.gz LQEZYIAGYKVZBT-NZIDHHNMSA-N 0 1 379.460 3.904 20 5 GHBDMN O=C(c1c([N+](=O)[O-])cccc1C(F)(F)F)N1CCN(C2CCCCC2)CC1 ZINC000571568342 853929793 /nfs/dbraw/zinc/92/97/93/853929793.db2.gz KFNCYNYXUFPEIK-UHFFFAOYSA-N 0 1 385.386 3.704 20 5 GHBDMN CN(Cc1ccc(Br)cc1)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000045267086 854458424 /nfs/dbraw/zinc/45/84/24/854458424.db2.gz UEFBWWSMDKWYLD-UHFFFAOYSA-N 0 1 389.209 3.506 20 5 GHBDMN Cc1ncc(-c2ccc(NS(=O)(=O)c3c(C)cc([N+](=O)[O-])cc3C)cc2)o1 ZINC000481980382 862589757 /nfs/dbraw/zinc/58/97/57/862589757.db2.gz WVLIMUDKMGFOPB-UHFFFAOYSA-N 0 1 387.417 3.976 20 5 GHBDMN CC1(C)CC[C@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000481996438 862592897 /nfs/dbraw/zinc/59/28/97/862592897.db2.gz AKNVDFJMBPEIIQ-IBGZPJMESA-N 0 1 388.489 3.771 20 5 GHBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@H](C)[C@@H](OC)c2ccccc2Cl)c1 ZINC000589509600 854910154 /nfs/dbraw/zinc/91/01/54/854910154.db2.gz QOHVEBULNUEQPG-KZULUSFZSA-N 0 1 392.839 3.901 20 5 GHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000057130638 855238065 /nfs/dbraw/zinc/23/80/65/855238065.db2.gz SQKPFMAKTDOXLP-UHFFFAOYSA-N 0 1 395.806 3.804 20 5 GHBDMN O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000542718176 855540637 /nfs/dbraw/zinc/54/06/37/855540637.db2.gz RRIKXYOJJZJZRA-MRXNPFEDSA-N 0 1 396.382 3.888 20 5 GHBDMN O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000542718176 855540638 /nfs/dbraw/zinc/54/06/38/855540638.db2.gz RRIKXYOJJZJZRA-MRXNPFEDSA-N 0 1 396.382 3.888 20 5 GHBDMN O=C(Nc1ccccc1)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000008205740 856059735 /nfs/dbraw/zinc/05/97/35/856059735.db2.gz RBUWRGIVICRJEN-UHFFFAOYSA-N 0 1 397.412 3.648 20 5 GHBDMN CCN(CC)[C@@H](CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)c1ccco1 ZINC000542848233 856126180 /nfs/dbraw/zinc/12/61/80/856126180.db2.gz KLCMHBDLNZDREZ-AWEZNQCLSA-N 0 1 397.378 3.602 20 5 GHBDMN CN(C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])s1)c1cccc(C(F)(F)F)c1 ZINC000184831775 856420538 /nfs/dbraw/zinc/42/05/38/856420538.db2.gz TWYFGPQRQBEJPQ-LBPRGKRZSA-N 0 1 387.383 3.708 20 5 GHBDMN Cc1cc(N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000573805805 856492188 /nfs/dbraw/zinc/49/21/88/856492188.db2.gz PPGDEATYOTYBCU-MRXNPFEDSA-N 0 1 383.448 3.702 20 5 GHBDMN COc1cccc([C@@H](CNC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)N2CCCC2)c1 ZINC000573780844 856518227 /nfs/dbraw/zinc/51/82/27/856518227.db2.gz LPXIGUVPPVBVIU-IIBYNOLFSA-N 0 1 397.475 3.660 20 5 GHBDMN O=C(NC1(c2nnc[nH]2)CCC1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000507885498 856626384 /nfs/dbraw/zinc/62/63/84/856626384.db2.gz JWFGVFKFHVLAFY-UHFFFAOYSA-N 0 1 395.444 3.673 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](c1ccccc1)C1(CO)CC=CC1 ZINC000592177090 856761287 /nfs/dbraw/zinc/76/12/87/856761287.db2.gz JRTVOZKPHSRHDF-OAQYLSRUSA-N 0 1 395.459 3.501 20 5 GHBDMN O=C(Nc1cccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1)c1cccs1 ZINC000427904644 856861335 /nfs/dbraw/zinc/86/13/35/856861335.db2.gz CRADAOIETITTCE-UHFFFAOYSA-N 0 1 383.385 3.867 20 5 GHBDMN C[C@@H](NCc1cccc(C(=O)NCc2ccco2)c1)c1cccc([N+](=O)[O-])c1 ZINC000173332588 856869340 /nfs/dbraw/zinc/86/93/40/856869340.db2.gz WDWMBTOOZPSIFQ-OAHLLOKOSA-N 0 1 379.416 3.969 20 5 GHBDMN Cc1cccc(CN2CCCC[C@@H]2C(=O)N(C)CCc2ccccc2[N+](=O)[O-])c1 ZINC001128863648 856882863 /nfs/dbraw/zinc/88/28/63/856882863.db2.gz LOSHILUUESJKSK-JOCHJYFZSA-N 0 1 395.503 3.959 20 5 GHBDMN C[C@@H](c1cccc(Br)c1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000485673029 856909987 /nfs/dbraw/zinc/90/99/87/856909987.db2.gz SBBXHXWYCNKGQI-WFASDCNBSA-N 0 1 391.269 4.000 20 5 GHBDMN CCOc1cc(Br)c(F)cc1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000427986454 856978194 /nfs/dbraw/zinc/97/81/94/856978194.db2.gz FWEVHTBESBYKBZ-UHFFFAOYSA-N 0 1 399.172 3.853 20 5 GHBDMN CC[N@@H+](CCC1CCN(c2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])CC1)CC1CC1 ZINC000592977536 857146074 /nfs/dbraw/zinc/14/60/74/857146074.db2.gz QRACCJZDEKJSKW-UHFFFAOYSA-N 0 1 389.496 3.940 20 5 GHBDMN CC[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1nc(C(F)(F)F)cs1 ZINC000174857876 857397251 /nfs/dbraw/zinc/39/72/51/857397251.db2.gz KBLQZKKIFDPTSB-VIFPVBQESA-N 0 1 399.354 3.828 20 5 GHBDMN COc1cc(-c2noc(-c3cc(O)cc([N+](=O)[O-])c3)n2)ccc1OC(F)F ZINC000486080833 857400080 /nfs/dbraw/zinc/40/00/80/857400080.db2.gz ONIKGNQSJJNJME-UHFFFAOYSA-N 0 1 379.275 3.627 20 5 GHBDMN CNc1ccc(C(=O)Nc2nc3c(s2)CN(C(C)(C)C)CC3)cc1[N+](=O)[O-] ZINC000574394237 857809244 /nfs/dbraw/zinc/80/92/44/857809244.db2.gz DMGGTGHZYFFDBB-UHFFFAOYSA-N 0 1 389.481 3.502 20 5 GHBDMN COc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c(C)c1 ZINC000161610205 858035784 /nfs/dbraw/zinc/03/57/84/858035784.db2.gz WZANYHFZDVJISA-UHFFFAOYSA-N 0 1 390.339 3.731 20 5 GHBDMN CC[C@@H](C)Oc1cccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2COC)c1 ZINC000594720199 858263396 /nfs/dbraw/zinc/26/33/96/858263396.db2.gz HUXCPSWRJAZYBK-CYBMUJFWSA-N 0 1 394.449 3.719 20 5 GHBDMN O=C([O-])[C@@H]1CC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H]2CCCC[C@H]12 ZINC000594733667 858268127 /nfs/dbraw/zinc/26/81/27/858268127.db2.gz BDLLSILEYKEAHK-KZNAEPCWSA-N 0 1 385.420 3.715 20 5 GHBDMN CCN(CC)C(=O)c1ccc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000595004948 858363535 /nfs/dbraw/zinc/36/35/35/858363535.db2.gz UYCLLEYVDNETBF-HNNXBMFYSA-N 0 1 385.464 3.936 20 5 GHBDMN CCN(CC)C(=O)c1ccc(CN[C@H](C)c2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000595004949 858363701 /nfs/dbraw/zinc/36/37/01/858363701.db2.gz UYCLLEYVDNETBF-OAHLLOKOSA-N 0 1 385.464 3.936 20 5 GHBDMN CCCCNC(=O)c1ccc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000595006270 858364748 /nfs/dbraw/zinc/36/47/48/858364748.db2.gz HXHKOPWHJNTYKE-HNNXBMFYSA-N 0 1 385.464 3.984 20 5 GHBDMN Cc1cccnc1[C@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(C)C ZINC000115584149 858578351 /nfs/dbraw/zinc/57/83/51/858578351.db2.gz ZZPSSAHEQODRJA-CQSZACIVSA-N 0 1 383.857 3.627 20 5 GHBDMN COc1ccccc1-c1n[nH]c(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)n1 ZINC000042376904 863041848 /nfs/dbraw/zinc/04/18/48/863041848.db2.gz DCKYRLPFJWQIGF-LLVKDONJSA-N 0 1 399.432 3.508 20 5 GHBDMN Cc1cccc(CN2CCCC[C@H]2C(=O)NCCc2ccccc2[N+](=O)[O-])c1 ZINC001128630553 863059787 /nfs/dbraw/zinc/05/97/87/863059787.db2.gz VBVYWXSENORCCZ-NRFANRHFSA-N 0 1 381.476 3.617 20 5 GHBDMN CSc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c3ncccc23)cc1 ZINC000184967073 858761802 /nfs/dbraw/zinc/76/18/02/858761802.db2.gz PUMSCUNZEWOGEA-UHFFFAOYSA-N 0 1 375.431 3.666 20 5 GHBDMN O=[N+]([O-])c1cccc(Br)c1N1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000596178750 858814876 /nfs/dbraw/zinc/81/48/76/858814876.db2.gz SCEQSXKKKFIDCP-LLVKDONJSA-N 0 1 392.257 3.737 20 5 GHBDMN O=[N+]([O-])c1cccc(Br)c1N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000596178750 858814881 /nfs/dbraw/zinc/81/48/81/858814881.db2.gz SCEQSXKKKFIDCP-LLVKDONJSA-N 0 1 392.257 3.737 20 5 GHBDMN CN1CC[C@@H](CNc2cc[nH]c(=O)c2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000596177290 858815237 /nfs/dbraw/zinc/81/52/37/858815237.db2.gz DGDCOBFENVRFIM-XHDPSFHLSA-N 0 1 380.807 3.593 20 5 GHBDMN CO[C@H](c1ccccc1Cl)[C@H](C)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000482799426 858863364 /nfs/dbraw/zinc/86/33/64/858863364.db2.gz DIVVDUBNJBAKDB-BTDLBPIBSA-N 0 1 388.811 3.631 20 5 GHBDMN CC[C@](C)(O)CN(CC(=O)Nc1c(C)cccc1[N+](=O)[O-])Cc1ccccc1 ZINC000439258935 858869498 /nfs/dbraw/zinc/86/94/98/858869498.db2.gz JDZADSSKSIKMTR-NRFANRHFSA-N 0 1 385.464 3.505 20 5 GHBDMN O=C(Nc1ccc(-c2nnc[nH]2)cc1F)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000439256771 858869879 /nfs/dbraw/zinc/86/98/79/858869879.db2.gz JGFQCJOFUMAZOH-UHFFFAOYSA-N 0 1 383.364 3.986 20 5 GHBDMN CN(C)Cc1ccc(CNc2c(Br)cncc2[N+](=O)[O-])cc1F ZINC000301915459 858882599 /nfs/dbraw/zinc/88/25/99/858882599.db2.gz ITOVOMCMFAPQKA-UHFFFAOYSA-N 0 1 383.221 3.565 20 5 GHBDMN COc1cccc(C=C2CCN(C[C@@H](O)COc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000543206647 858883694 /nfs/dbraw/zinc/88/36/94/858883694.db2.gz YDOSGTGCCQTVKA-LJQANCHMSA-N 0 1 398.459 3.523 20 5 GHBDMN COc1cccc([C@H]2[C@H](NC(=O)c3cc(C)cc([N+](=O)[O-])c3)CCN2C2CC2)c1 ZINC000482827268 858887548 /nfs/dbraw/zinc/88/75/48/858887548.db2.gz QVJQIPXKKVXVER-RTWAWAEBSA-N 0 1 395.459 3.620 20 5 GHBDMN Cc1ccc([C@H]2CSCCN2C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)cc1 ZINC000116233321 858907757 /nfs/dbraw/zinc/90/77/57/858907757.db2.gz HLFGAPUZVVQQEM-QGZVFWFLSA-N 0 1 382.445 3.710 20 5 GHBDMN Cc1cccc2nc(CNC(=O)Cn3c4ccccc4c(=O)c4ccccc43)[nH]c21 ZINC000160454041 858916421 /nfs/dbraw/zinc/91/64/21/858916421.db2.gz YWKSTAXPQWHNPQ-UHFFFAOYSA-N 0 1 396.450 3.656 20 5 GHBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN(C)[C@H]2CC[C@H](O)CC2)cc1OC ZINC000439300060 858990679 /nfs/dbraw/zinc/99/06/79/858990679.db2.gz QPZLLRNBVHNRRG-XIRDDKMYSA-N 0 1 380.485 3.764 20 5 GHBDMN CN(C)[C@@H]1CCOc2c(NC(=O)C(C)(C)c3ccccc3[N+](=O)[O-])cccc21 ZINC000509366716 859193899 /nfs/dbraw/zinc/19/38/99/859193899.db2.gz PTWZMDZPZCQXOL-QGZVFWFLSA-N 0 1 383.448 3.896 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1CNCc1cc(Cl)ccc1N1CCOCC1 ZINC000466361316 859225947 /nfs/dbraw/zinc/22/59/47/859225947.db2.gz STNCRXKOAFQJSY-UHFFFAOYSA-N 0 1 375.856 3.683 20 5 GHBDMN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](c1ccsc1)N(C)C ZINC000025330391 859649649 /nfs/dbraw/zinc/64/96/49/859649649.db2.gz BXGDVVRLGZKZNC-MLGOLLRUSA-N 0 1 379.507 3.556 20 5 GHBDMN CCN(C[C@@H]1CCOC1)[C@@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000611205197 859650452 /nfs/dbraw/zinc/65/04/52/859650452.db2.gz NBKJVDMSYSJURN-LAUBAEHRSA-N 0 1 397.475 3.941 20 5 GHBDMN Cc1cc(N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000520412274 881447391 /nfs/dbraw/zinc/44/73/91/881447391.db2.gz RJUWLDYQNYZDPM-KRWDZBQOSA-N 0 1 383.448 3.560 20 5 GHBDMN C[C@@H](c1nc2ccccc2s1)N1CCN(Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000611252967 859664847 /nfs/dbraw/zinc/66/48/47/859664847.db2.gz ASEMSUXSHSWPSW-AWEZNQCLSA-N 0 1 398.488 3.789 20 5 GHBDMN O=[N+]([O-])c1cc2c(cc1CN(CCCO)[C@H]1CCCc3ccccc31)OCCO2 ZINC000611274526 859677680 /nfs/dbraw/zinc/67/76/80/859677680.db2.gz KONWPCWSFPMUJW-IBGZPJMESA-N 0 1 398.459 3.628 20 5 GHBDMN CC(C)(COc1ncccc1Br)NCc1c(F)cccc1[N+](=O)[O-] ZINC000611285083 859681758 /nfs/dbraw/zinc/68/17/58/859681758.db2.gz UZWBAPNOOGLTGS-UHFFFAOYSA-N 0 1 398.232 3.839 20 5 GHBDMN C[C@](O)(CNCc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccccc1Cl ZINC000764983553 859725014 /nfs/dbraw/zinc/72/50/14/859725014.db2.gz PGGLKJHLKIXTQP-KRWDZBQOSA-N 0 1 386.782 3.847 20 5 GHBDMN CC[C@@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccc(Cl)s1 ZINC000543484972 859900318 /nfs/dbraw/zinc/90/03/18/859900318.db2.gz HILUIQRRUPNFSN-CYBMUJFWSA-N 0 1 379.869 3.940 20 5 GHBDMN CC(C)C(=O)NC[C@@H]1CCCN(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602455058 860030113 /nfs/dbraw/zinc/03/01/13/860030113.db2.gz PVUCIBRGNJYWEG-ZDUSSCGKSA-N 0 1 387.402 3.598 20 5 GHBDMN O=c1ccc2c([nH]1)CCC[C@@H]2NCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602505486 860080473 /nfs/dbraw/zinc/08/04/73/860080473.db2.gz DLVOUCDWTMBJGQ-NSHDSACASA-N 0 1 384.255 3.687 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N2C[C@@H](c3cccc(F)c3)OCC2(C)C)c1[N+](=O)[O-] ZINC000598224427 860168831 /nfs/dbraw/zinc/16/88/31/860168831.db2.gz SGUIWIBUFORAQC-AWEZNQCLSA-N 0 1 390.415 3.573 20 5 GHBDMN COCC1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000895970651 860181165 /nfs/dbraw/zinc/18/11/65/860181165.db2.gz GNRLJHZEKYXBCC-UHFFFAOYSA-N 0 1 381.226 3.696 20 5 GHBDMN CN(C)[C@H](CCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)C(F)(F)F ZINC000922751856 860546269 /nfs/dbraw/zinc/54/62/69/860546269.db2.gz IXSFGZUXWXDLBD-CQSZACIVSA-N 0 1 388.415 3.691 20 5 GHBDMN COc1ccnc(NCc2cc(OC)c(OCC(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000125099895 860579946 /nfs/dbraw/zinc/57/99/46/860579946.db2.gz JFVUKAUYLDGTRK-UHFFFAOYSA-N 0 1 387.314 3.560 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2nc(CNC[C@@H]3Cc4ccccc4CO3)cs2)c1 ZINC000598989945 860705464 /nfs/dbraw/zinc/70/54/64/860705464.db2.gz XAYPSAKJEMOVIE-IBGZPJMESA-N 0 1 381.457 3.949 20 5 GHBDMN Cn1c(=O)ccc2c1CCC[C@@H]2NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000593694020 860907249 /nfs/dbraw/zinc/90/72/49/860907249.db2.gz HWBVYCOXHCYDFX-KRWDZBQOSA-N 0 1 396.472 3.584 20 5 GHBDMN O=C([O-])c1cccc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1Cl ZINC000593738042 861116314 /nfs/dbraw/zinc/11/63/14/861116314.db2.gz LFOKIDNXSSRUNW-UHFFFAOYSA-N 0 1 390.823 3.990 20 5 GHBDMN O=C(N[C@H](CN1CCCC1)c1ccccc1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000603736502 861129796 /nfs/dbraw/zinc/12/97/96/861129796.db2.gz NPQIQGYLTASVJC-GOSISDBHSA-N 0 1 379.416 3.908 20 5 GHBDMN O=C(c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)N1CCN(CC2CC2)CC1 ZINC000487462852 863636699 /nfs/dbraw/zinc/63/66/99/863636699.db2.gz NPZFJRDFPPGMMU-UHFFFAOYSA-N 0 1 397.500 3.914 20 5 GHBDMN Cc1c(CN2CCCN(Cc3cccc([N+](=O)[O-])c3C)CC2)cccc1[N+](=O)[O-] ZINC000071950611 864196547 /nfs/dbraw/zinc/19/65/47/864196547.db2.gz HNXHHCCASAXZHF-UHFFFAOYSA-N 0 1 398.463 3.828 20 5 GHBDMN O=[N+]([O-])c1ccccc1CCS(=O)(=O)Nc1cc(F)ccc1OCC1CC1 ZINC000480248936 864356150 /nfs/dbraw/zinc/35/61/50/864356150.db2.gz OTGZPLGJSDGXQZ-UHFFFAOYSA-N 0 1 394.424 3.507 20 5 GHBDMN O=[N+]([O-])c1ccc(CN[C@]2(Cc3ccc(Cl)cc3)CCOC2)c([N+](=O)[O-])c1 ZINC000792880899 881769542 /nfs/dbraw/zinc/76/95/42/881769542.db2.gz JDAYVWJCLRBLKJ-SFHVURJKSA-N 0 1 391.811 3.648 20 5 GHBDMN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000121310612 865420980 /nfs/dbraw/zinc/42/09/80/865420980.db2.gz OHEFDARUEQTEQY-MRXNPFEDSA-N 0 1 397.479 3.954 20 5 GHBDMN C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000444399172 866064931 /nfs/dbraw/zinc/06/49/31/866064931.db2.gz JJSVUUVEKMCOOA-APPDUMDISA-N 0 1 376.796 3.556 20 5 GHBDMN C[C@@H](c1ccccc1Br)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440487632 866963079 /nfs/dbraw/zinc/96/30/79/866963079.db2.gz LKLHDTWJSDACEI-STQMWFEESA-N 0 1 391.269 4.000 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)Cc1cc(C)ccc1F ZINC000444747314 867172658 /nfs/dbraw/zinc/17/26/58/867172658.db2.gz YRMORVWXAAFKLN-UHFFFAOYSA-N 0 1 375.400 3.512 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N2CCC(Cc3cc(F)ccc3F)CC2)c1[N+](=O)[O-] ZINC000456818041 867179928 /nfs/dbraw/zinc/17/99/28/867179928.db2.gz CEXVSLSDLZRLKB-UHFFFAOYSA-N 0 1 392.406 3.814 20 5 GHBDMN O=C(N[C@H](c1c[nH]c2ccccc21)C(F)(F)F)c1cc(O)cc([N+](=O)[O-])c1 ZINC000553492879 867506903 /nfs/dbraw/zinc/50/69/03/867506903.db2.gz WPNKZBKPWBDOPW-OAHLLOKOSA-N 0 1 379.294 3.815 20 5 GHBDMN Cn1c(C(=O)N2CCCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000457376283 868191692 /nfs/dbraw/zinc/19/16/92/868191692.db2.gz SGCFJDKOQYBKHS-AWEZNQCLSA-N 0 1 387.827 3.830 20 5 GHBDMN CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000480008743 868894539 /nfs/dbraw/zinc/89/45/39/868894539.db2.gz ABSUUTAWKDXNQN-OAHLLOKOSA-N 0 1 397.401 3.825 20 5 GHBDMN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000539846627 869892843 /nfs/dbraw/zinc/89/28/43/869892843.db2.gz DGPDROIWJCKEOJ-IBGZPJMESA-N 0 1 381.476 3.914 20 5 GHBDMN O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2N[C@@H]2CCOc3c(F)ccc(F)c32)n1 ZINC000462950385 870511536 /nfs/dbraw/zinc/51/15/36/870511536.db2.gz QYAJWIFLCMNGQK-ZNMIVQPWSA-N 0 1 378.379 3.667 20 5 GHBDMN CCc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)cc1 ZINC000447012057 870864724 /nfs/dbraw/zinc/86/47/24/870864724.db2.gz ZOTANLHKVGAYRD-UHFFFAOYSA-N 0 1 385.239 3.721 20 5 GHBDMN CCC[C@@H](NCc1cccc(NS(C)(=O)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000539075290 871266264 /nfs/dbraw/zinc/26/62/64/871266264.db2.gz BQBNKWFPLRQWDF-GOSISDBHSA-N 0 1 377.466 3.597 20 5 GHBDMN C[C@@H](N[C@@H](C)c1cccnc1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000181639207 871319150 /nfs/dbraw/zinc/31/91/50/871319150.db2.gz SUTNJVTXCQEEBQ-QWHCGFSZSA-N 0 1 397.460 3.791 20 5 GHBDMN CCOc1cc(CSc2nc(O)cc(=O)n2C2CCCC2)ccc1[N+](=O)[O-] ZINC000618143988 871346937 /nfs/dbraw/zinc/34/69/37/871346937.db2.gz NJCBJRKEQHOIIG-UHFFFAOYSA-N 0 1 391.449 3.663 20 5 GHBDMN CCc1[nH]nc(C(=O)N2CCC[C@@H]2c2ccccc2Br)c1[N+](=O)[O-] ZINC000618229275 871435117 /nfs/dbraw/zinc/43/51/17/871435117.db2.gz HCLNZKAKODOLJD-CYBMUJFWSA-N 0 1 393.241 3.620 20 5 GHBDMN O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@H](c2cccc(Cl)c2)C(F)F)c1 ZINC001194053011 871467414 /nfs/dbraw/zinc/46/74/14/871467414.db2.gz NXZRBUGTCLXVHM-CQSZACIVSA-N 0 1 390.795 3.674 20 5 GHBDMN CC[C@@H](NCc1ccc([N+](=O)[O-])cc1)c1ccccc1OCC(=O)N1CCCC1 ZINC000069754635 871472616 /nfs/dbraw/zinc/47/26/16/871472616.db2.gz KZGXUSLSHFLNMB-HXUWFJFHSA-N 0 1 397.475 3.837 20 5 GHBDMN COc1ccccc1[C@@H](CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-])N1CCCC1 ZINC000804326076 871505444 /nfs/dbraw/zinc/50/54/44/871505444.db2.gz FRZKWBFYZZCRJI-QGZVFWFLSA-N 0 1 386.408 3.761 20 5 GHBDMN CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000128103887 871834184 /nfs/dbraw/zinc/83/41/84/871834184.db2.gz AQBPCLSUZJZMFZ-OAHLLOKOSA-N 0 1 377.510 3.844 20 5 GHBDMN Cc1c(CC(=O)N2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)cccc1[N+](=O)[O-] ZINC000128109751 871839091 /nfs/dbraw/zinc/83/90/91/871839091.db2.gz NCUSMBFQFZYTGR-SFHVURJKSA-N 0 1 391.431 3.595 20 5 GHBDMN Cc1c(CC(=O)N2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)cccc1[N+](=O)[O-] ZINC000128109751 871839103 /nfs/dbraw/zinc/83/91/03/871839103.db2.gz NCUSMBFQFZYTGR-SFHVURJKSA-N 0 1 391.431 3.595 20 5 GHBDMN Cn1ccnc1[C@H](NCCc1c[nH]c2ccc(F)cc12)c1ccc([N+](=O)[O-])cc1 ZINC000552049375 871935812 /nfs/dbraw/zinc/93/58/12/871935812.db2.gz UUCRHLACEFBEQW-HXUWFJFHSA-N 0 1 393.422 3.870 20 5 GHBDMN CC[C@]1(C)Oc2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2O1 ZINC000785489284 871942616 /nfs/dbraw/zinc/94/26/16/871942616.db2.gz QTHAQEMFNHPCIO-QGZVFWFLSA-N 0 1 378.406 3.601 20 5 GHBDMN O=[N+]([O-])c1ccccc1OC[C@H](O)CN(Cc1ccco1)Cc1ccccc1 ZINC000182175377 871986922 /nfs/dbraw/zinc/98/69/22/871986922.db2.gz ROCGEKHNRZZBNQ-GOSISDBHSA-N 0 1 382.416 3.630 20 5 GHBDMN C[C@@H](C(=O)NC[C@H](c1ccco1)N1CCCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000182283068 872132977 /nfs/dbraw/zinc/13/29/77/872132977.db2.gz OVWGRWMFNDRDII-RDTXWAMCSA-N 0 1 389.427 3.774 20 5 GHBDMN CN(CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C[C@@H]1CC=CCC1 ZINC000541319814 873363916 /nfs/dbraw/zinc/36/39/16/873363916.db2.gz DSSCJIUEJLIQBH-CQSZACIVSA-N 0 1 386.477 3.945 20 5 GHBDMN CN1C(=O)C[C@@H](NCc2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)cc1 ZINC000768653741 873474246 /nfs/dbraw/zinc/47/42/46/873474246.db2.gz WNDGGBYONDKYPF-CRAIPNDOSA-N 0 1 394.258 3.963 20 5 GHBDMN CN1C(=O)C[C@H](NCc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)cc1 ZINC000768653744 873474877 /nfs/dbraw/zinc/47/48/77/873474877.db2.gz WNDGGBYONDKYPF-YJBOKZPZSA-N 0 1 394.258 3.963 20 5 GHBDMN CC(C)Oc1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1Cl ZINC000768866458 873630011 /nfs/dbraw/zinc/63/00/11/873630011.db2.gz SCENROVUSGBCCJ-UHFFFAOYSA-N 0 1 376.843 3.898 20 5 GHBDMN CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](CCCN2Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC001197167523 873634925 /nfs/dbraw/zinc/63/49/25/873634925.db2.gz IEYNEPWRWVWVCX-RDJZCZTQSA-N 0 1 393.459 3.955 20 5 GHBDMN CC(C)(C)OC(=O)NC[C@H]1CCCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000769119654 873820931 /nfs/dbraw/zinc/82/09/31/873820931.db2.gz DEZQOSVUHZVCDY-BSDKJSHOSA-N 0 1 375.469 3.845 20 5 GHBDMN C[C@H](C(=O)OCCN(C)Cc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000769133199 873833242 /nfs/dbraw/zinc/83/32/42/873833242.db2.gz HTGMVNKJWAAPBF-ZDUSSCGKSA-N 0 1 378.375 3.652 20 5 GHBDMN C[C@@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])CC[C@H]1NC(=O)OC(C)(C)C ZINC000769421422 874037165 /nfs/dbraw/zinc/03/71/65/874037165.db2.gz BSBKJWIVXCJFGI-KYZJMWGYSA-N 0 1 375.469 3.843 20 5 GHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N(Cc1ccccc1)C[C@H](O)c1ccccc1 ZINC000804405815 882789386 /nfs/dbraw/zinc/78/93/86/882789386.db2.gz FENNQYZLRWEARC-NRFANRHFSA-N 0 1 392.411 3.676 20 5 GHBDMN O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000541703061 874144217 /nfs/dbraw/zinc/14/42/17/874144217.db2.gz PQQRXQXAQWCTEY-QGZVFWFLSA-N 0 1 389.839 3.521 20 5 GHBDMN C[C@H]1C[C@H](NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2ccsc2S1 ZINC000541741844 874204626 /nfs/dbraw/zinc/20/46/26/874204626.db2.gz WCRDICCSTKGFSD-NHYWBVRUSA-N 0 1 398.531 3.645 20 5 GHBDMN O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000541825235 874344583 /nfs/dbraw/zinc/34/45/83/874344583.db2.gz WZSGHBRHGFZVRE-CYBMUJFWSA-N 0 1 394.758 3.830 20 5 GHBDMN C[C@H](CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449012163 874359213 /nfs/dbraw/zinc/35/92/13/874359213.db2.gz ZCTABHNMEHREOG-OAHLLOKOSA-N 0 1 388.489 3.766 20 5 GHBDMN COc1cc(CN2C[C@@H](C3CC3)[C@H]2C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000449545452 875010851 /nfs/dbraw/zinc/01/08/51/875010851.db2.gz YTGREWKOIFHKCM-IFXJQAMLSA-N 0 1 382.407 3.868 20 5 GHBDMN CN(Cc1cc([N+](=O)[O-])ccc1OC(F)F)C1CCN(CC(F)(F)F)CC1 ZINC000449757307 875330940 /nfs/dbraw/zinc/33/09/40/875330940.db2.gz DFWXKMCOXLOOKN-UHFFFAOYSA-N 0 1 397.344 3.655 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1COC(=O)c1[nH]c(-c2cccc(C)c2)nc1C ZINC000772111633 875702844 /nfs/dbraw/zinc/70/28/44/875702844.db2.gz ZBGUVNBKCISNFU-UHFFFAOYSA-N 0 1 381.388 3.967 20 5 GHBDMN O=[N+]([O-])c1cccc(Br)c1CNC1CCN(c2nccs2)CC1 ZINC001202176209 876043808 /nfs/dbraw/zinc/04/38/08/876043808.db2.gz LUXYBEIVQJDOTC-UHFFFAOYSA-N 0 1 397.298 3.572 20 5 GHBDMN CCc1ccc([C@@H](NCCCNC(=O)C2CCC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542495309 883005282 /nfs/dbraw/zinc/00/52/82/883005282.db2.gz VJJFCKHSLMBOPH-FQEVSTJZSA-N 0 1 385.464 3.736 20 5 GHBDMN CC[C@@H](C)N1CCN(c2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000450862383 876988875 /nfs/dbraw/zinc/98/88/75/876988875.db2.gz QTWKGAPWEVDQSC-SNVBAGLBSA-N 0 1 382.333 3.564 20 5 GHBDMN Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000787118159 877159410 /nfs/dbraw/zinc/15/94/10/877159410.db2.gz TVYNOAWPDRHITJ-INIZCTEOSA-N 0 1 385.811 3.684 20 5 GHBDMN COc1ccc(CN2CCCN(Cc3cc(Cl)ccc3[N+](=O)[O-])CC2)cc1 ZINC000746653127 877208009 /nfs/dbraw/zinc/20/80/09/877208009.db2.gz BWLDEERCALAEOP-UHFFFAOYSA-N 0 1 389.883 3.965 20 5 GHBDMN Cc1ccc2nc([C@H]3CCCN3CC(=O)Nc3c(C)cccc3[N+](=O)[O-])[nH]c2c1 ZINC000451011680 877230480 /nfs/dbraw/zinc/23/04/80/877230480.db2.gz DOXWEMTZMBYIDU-GOSISDBHSA-N 0 1 393.447 3.864 20 5 GHBDMN O=C(CSc1ccc([N+](=O)[O-])cc1)N(CCN1CCCC1)c1ccccc1 ZINC000610051278 877334454 /nfs/dbraw/zinc/33/44/54/877334454.db2.gz NDTHMEDJMHWYTR-UHFFFAOYSA-N 0 1 385.489 3.816 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCc2nc(C3CCCCC3)[nH]c2C1 ZINC000788244295 877945435 /nfs/dbraw/zinc/94/54/35/877945435.db2.gz BNGZAIYJJQOVFY-OAHLLOKOSA-N 0 1 382.464 3.961 20 5 GHBDMN CCc1[nH]nc(C(=O)N(Cc2cccc(-c3cccnc3)c2)C2CC2)c1[N+](=O)[O-] ZINC000192792335 877956275 /nfs/dbraw/zinc/95/62/75/877956275.db2.gz PLZKLEVDRJYKFP-UHFFFAOYSA-N 0 1 391.431 3.747 20 5 GHBDMN COc1ccc(NS(=O)(=O)c2ccc(Cl)c(F)c2Cl)cc1[N+](=O)[O-] ZINC000530542914 877997408 /nfs/dbraw/zinc/99/74/08/877997408.db2.gz XSZTUZAVYFILDR-UHFFFAOYSA-N 0 1 395.195 3.850 20 5 GHBDMN C[C@H](c1nc(-c2cccnc2)no1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451546760 878120420 /nfs/dbraw/zinc/12/04/20/878120420.db2.gz JSQLKFYMDPUGHH-PBHICJAKSA-N 0 1 379.420 3.980 20 5 GHBDMN O=[N+]([O-])c1ccc(Cl)c(CNCCOc2ncccc2C(F)(F)F)c1 ZINC000746754840 878262597 /nfs/dbraw/zinc/26/25/97/878262597.db2.gz MHQYRLXMQMOUMC-UHFFFAOYSA-N 0 1 375.734 3.831 20 5 GHBDMN COc1cc(C(=O)Nc2nc(-c3cccs3)ns2)c([N+](=O)[O-])cc1F ZINC001127584790 878492853 /nfs/dbraw/zinc/49/28/53/878492853.db2.gz ONPVSNNWUNXDQJ-UHFFFAOYSA-N 0 1 380.382 3.575 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@H](C)c1ccc2c(c1)CCCO2 ZINC000852779691 878594541 /nfs/dbraw/zinc/59/45/41/878594541.db2.gz BVUQCOKCEAETHE-KBPBESRZSA-N 0 1 399.447 3.606 20 5 GHBDMN Cc1cc(N2CCC[C@@H](CNC(=O)c3ccco3)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000509473926 878618843 /nfs/dbraw/zinc/61/88/43/878618843.db2.gz XKPRFVWLKUHJBG-HNNXBMFYSA-N 0 1 394.431 3.691 20 5 GHBDMN CCOC1CC2(C1)CCN(Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])C2 ZINC000285630295 912369533 /nfs/dbraw/zinc/36/95/33/912369533.db2.gz YPEKKHHOZKBYTG-UHFFFAOYSA-N 0 1 386.395 3.596 20 5 GHBDMN C[C@H]1CCC[N@@H+](Cc2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])s3)cc2)C1 ZINC000538134342 878872390 /nfs/dbraw/zinc/87/23/90/878872390.db2.gz BWXCVGMWJIFRDX-ZDUSSCGKSA-N 0 1 395.506 3.689 20 5 GHBDMN CC(C)(NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000538236538 879098371 /nfs/dbraw/zinc/09/83/71/879098371.db2.gz QOFFBPZFXKLOFC-UHFFFAOYSA-N 0 1 383.782 3.990 20 5 GHBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)CN(C)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000789595031 879101647 /nfs/dbraw/zinc/10/16/47/879101647.db2.gz QLJZEKUTQIFALU-YULVEUEDSA-N 0 1 379.460 3.731 20 5 GHBDMN CN(C[C@H]1CCc2ccccc21)CN1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1=O ZINC000853609764 879163281 /nfs/dbraw/zinc/16/32/81/879163281.db2.gz MGZJACMEBYACLP-NQIIRXRSSA-N 0 1 379.460 3.530 20 5 GHBDMN CN(C)[C@H]1CCOc2c(NC(=O)c3cccc(Cl)c3[N+](=O)[O-])cccc21 ZINC000790238960 879540007 /nfs/dbraw/zinc/54/00/07/879540007.db2.gz SRLASKAMHGKNNQ-HNNXBMFYSA-N 0 1 375.812 3.886 20 5 GHBDMN Cc1cc(C(=O)N2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)ccc1[N+](=O)[O-] ZINC000152682808 879573175 /nfs/dbraw/zinc/57/31/75/879573175.db2.gz WIFBIUJTYZZGDJ-QGZVFWFLSA-N 0 1 377.404 3.666 20 5 GHBDMN Cc1cc(C(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)ccc1[N+](=O)[O-] ZINC000152682808 879573191 /nfs/dbraw/zinc/57/31/91/879573191.db2.gz WIFBIUJTYZZGDJ-QGZVFWFLSA-N 0 1 377.404 3.666 20 5 GHBDMN O=C1[C@@H](NCc2cccc([N+](=O)[O-])c2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000543703583 879607543 /nfs/dbraw/zinc/60/75/43/879607543.db2.gz KWXNMLMSGSPOSH-INIZCTEOSA-N 0 1 380.231 3.797 20 5 GHBDMN CCS(=O)(=O)CCNCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000069173174 879653889 /nfs/dbraw/zinc/65/38/89/879653889.db2.gz GCOCIRYXIRHELP-UHFFFAOYSA-N 0 1 398.868 3.565 20 5 GHBDMN O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)c1cc([N+](=O)[O-])ccc1F ZINC000854294424 879701463 /nfs/dbraw/zinc/70/14/63/879701463.db2.gz DHJNRRBSFKGKKS-UHFFFAOYSA-N 0 1 391.830 3.782 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)Nc1cccc(CN2CCC[C@H]2C(N)=O)c1 ZINC000538552270 879702348 /nfs/dbraw/zinc/70/23/48/879702348.db2.gz UKNVQHPQQJMUTD-QRWLVFNGSA-N 0 1 382.464 3.526 20 5 GHBDMN Cc1cc([N+](=O)[O-])c(F)c(C(=O)NC[C@H](c2cccs2)N2CCCC2)c1F ZINC000854305963 879708887 /nfs/dbraw/zinc/70/88/87/879708887.db2.gz CYISHJVPICWKLZ-CYBMUJFWSA-N 0 1 395.431 3.810 20 5 GHBDMN Cc1c(CN[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] ZINC000493962818 879779768 /nfs/dbraw/zinc/77/97/68/879779768.db2.gz WIUYVEKIILYROA-VQIMIIECSA-N 0 1 391.830 3.757 20 5 GHBDMN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2cccc3c2CN(C(C)C)C3)c1 ZINC000461423443 879781391 /nfs/dbraw/zinc/78/13/91/879781391.db2.gz AMTJIVFQPYWDGE-UHFFFAOYSA-N 0 1 389.477 3.736 20 5 GHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC(Cc2ccccc2F)CC1 ZINC000531517716 880017911 /nfs/dbraw/zinc/01/79/11/880017911.db2.gz FBSAIHXISUJOQQ-UHFFFAOYSA-N 0 1 382.395 3.705 20 5 GHBDMN C[C@H]1CC[C@@H](c2ccccc2)N(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC001170160755 880777581 /nfs/dbraw/zinc/77/75/81/880777581.db2.gz IQALTGRZKQHESZ-JXFKEZNVSA-N 0 1 379.460 3.957 20 5 GHBDMN CCn1cc([C@H](O)CN(Cc2ccccc2)Cc2cccc([N+](=O)[O-])c2)cn1 ZINC000792187021 880976738 /nfs/dbraw/zinc/97/67/38/880976738.db2.gz KVBKPRJGVXQCTM-OAQYLSRUSA-N 0 1 380.448 3.547 20 5 GHBDMN CCn1cc([C@H](O)CN(Cc2ccccc2)Cc2ccc([N+](=O)[O-])cc2C)cn1 ZINC000792189181 880977545 /nfs/dbraw/zinc/97/75/45/880977545.db2.gz RBRYJUWHWJJAOJ-JOCHJYFZSA-N 0 1 394.475 3.855 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2nc(CNC[C@@H]3COc4ccccc4O3)cs2)c1 ZINC000609598495 883431914 /nfs/dbraw/zinc/43/19/14/883431914.db2.gz SBUDNJUOOLRRBH-MRXNPFEDSA-N 0 1 383.429 3.648 20 5 GHBDMN CC(C)(C)OC(=O)N1CC[C@H]1CNCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001183727961 912759021 /nfs/dbraw/zinc/75/90/21/912759021.db2.gz NMPWDAUWGDGZKQ-ZDUSSCGKSA-N 0 1 389.374 3.713 20 5 GHBDMN CC[C@@H](NCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)[C@@H](O)C(F)(F)F ZINC000498360002 884153519 /nfs/dbraw/zinc/15/35/19/884153519.db2.gz VWWWPSXACGORAJ-CZUORRHYSA-N 0 1 388.342 3.655 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2oc(C(C)C)nc2c1 ZINC000032097598 884211213 /nfs/dbraw/zinc/21/12/13/884211213.db2.gz DCYRVRLSMVHSQZ-UHFFFAOYSA-N 0 1 375.406 3.969 20 5 GHBDMN COc1cccc([C@H](O)C2CCN(Cc3ccc([N+](=O)[O-])c(OC)c3)CC2)c1 ZINC000860135573 884354923 /nfs/dbraw/zinc/35/49/23/884354923.db2.gz PQKJRGPUILWCPF-OAQYLSRUSA-N 0 1 386.448 3.558 20 5 GHBDMN COc1c(C(=O)Nc2nc3ccc(C(F)(F)F)cc3[nH]2)cccc1[N+](=O)[O-] ZINC000476421073 885704436 /nfs/dbraw/zinc/70/44/36/885704436.db2.gz GGDDBMQXZFRBDY-UHFFFAOYSA-N 0 1 380.282 3.751 20 5 GHBDMN CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000808049234 885994263 /nfs/dbraw/zinc/99/42/63/885994263.db2.gz JSTOOINHRNRIPE-LJQANCHMSA-N 0 1 383.448 3.500 20 5 GHBDMN CCOc1ccc([N+](=O)[O-])cc1CNCCOc1ncccc1C(F)(F)F ZINC000532615770 886459332 /nfs/dbraw/zinc/45/93/32/886459332.db2.gz CWKOHRGMDLRLHW-UHFFFAOYSA-N 0 1 385.342 3.576 20 5 GHBDMN CCOc1ccc(C(=O)NC[C@@H](CC)N2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000032446525 886545054 /nfs/dbraw/zinc/54/50/54/886545054.db2.gz ILRBDAZPAWLHNH-LJQANCHMSA-N 0 1 397.475 3.560 20 5 GHBDMN O=C(NCC1(c2cccc(C(F)(F)F)c2)CCCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000487979348 886732489 /nfs/dbraw/zinc/73/24/89/886732489.db2.gz PCUHJGWFRPUOOS-UHFFFAOYSA-N 0 1 396.369 3.969 20 5 GHBDMN CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(c2ncc(C(=O)[O-])s2)CC1 ZINC000863473713 887141080 /nfs/dbraw/zinc/14/10/80/887141080.db2.gz WPFSZNMRFYMISR-UHFFFAOYSA-N 0 1 391.449 3.528 20 5 GHBDMN C[C@H](Cn1ccc2ccccc21)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000496073901 887469082 /nfs/dbraw/zinc/46/90/82/887469082.db2.gz SRDQICUQEUAZFT-CYBMUJFWSA-N 0 1 390.403 3.609 20 5 GHBDMN COc1ccc(C[C@@H](C)CN(C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1 ZINC000153313703 887587976 /nfs/dbraw/zinc/58/79/76/887587976.db2.gz BQPLOVDDOYHCFO-OAHLLOKOSA-N 0 1 396.447 3.964 20 5 GHBDMN COC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000809697288 887675996 /nfs/dbraw/zinc/67/59/96/887675996.db2.gz YTLSSKGSKGUWQO-QGZVFWFLSA-N 0 1 398.337 3.782 20 5 GHBDMN CCc1n[nH]c(C2CCN(Cc3cc(Cl)cc(Cl)c3[N+](=O)[O-])CC2)n1 ZINC000809986406 888042744 /nfs/dbraw/zinc/04/27/44/888042744.db2.gz GYQZMSZVJLSYOD-UHFFFAOYSA-N 0 1 384.267 3.962 20 5 GHBDMN CCc1nnc(C2CCN(Cc3cc(Cl)cc(Cl)c3[N+](=O)[O-])CC2)[nH]1 ZINC000809986406 888042758 /nfs/dbraw/zinc/04/27/58/888042758.db2.gz GYQZMSZVJLSYOD-UHFFFAOYSA-N 0 1 384.267 3.962 20 5 GHBDMN CCN1CCN(c2ccccc2NC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000454277502 888317518 /nfs/dbraw/zinc/31/75/18/888317518.db2.gz URLBKJIKJMEWPY-INIZCTEOSA-N 0 1 397.479 3.619 20 5 GHBDMN CCN(C(=O)c1n[nH]c(C)c1[N+](=O)[O-])[C@@H](c1ccc(Cl)cc1)c1cccnc1 ZINC000496521021 888860715 /nfs/dbraw/zinc/86/07/15/888860715.db2.gz WPDDTHWBINHFKR-SFHVURJKSA-N 0 1 399.838 3.926 20 5 GHBDMN CCc1nc([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)n[nH]1 ZINC000496784099 889067421 /nfs/dbraw/zinc/06/74/21/889067421.db2.gz DOGQJVJQPMYACA-LBPRGKRZSA-N 0 1 397.460 3.918 20 5 GHBDMN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNC[C@@H](O)COc1cccc(F)c1 ZINC000811475208 889660995 /nfs/dbraw/zinc/66/09/95/889660995.db2.gz CSTJMBYSZZCKBS-CYBMUJFWSA-N 0 1 389.210 3.570 20 5 GHBDMN CN1CCN(c2ccc(NCc3cc(Cl)cc(Cl)c3[N+](=O)[O-])nc2)CC1 ZINC000811475543 889662769 /nfs/dbraw/zinc/66/27/69/889662769.db2.gz OPMBMUVKWQPYFC-UHFFFAOYSA-N 0 1 396.278 3.661 20 5 GHBDMN CC(C)c1ccc(C[N@@H+]2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000811514486 889708636 /nfs/dbraw/zinc/70/86/36/889708636.db2.gz LPOWMWDNVHOMDO-CQSZACIVSA-N 0 1 387.402 3.609 20 5 GHBDMN CC(C)c1ccc(C[N@H+]2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000811514486 889708643 /nfs/dbraw/zinc/70/86/43/889708643.db2.gz LPOWMWDNVHOMDO-CQSZACIVSA-N 0 1 387.402 3.609 20 5 GHBDMN COc1cccc(C[C@@H]2CCCN2Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c1 ZINC000533246332 890130902 /nfs/dbraw/zinc/13/09/02/890130902.db2.gz XFWKDTXFEFCJTK-SFHVURJKSA-N 0 1 394.431 3.861 20 5 GHBDMN O=C(Nc1ccccc1)[C@@H](NCCOc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000533488224 890704110 /nfs/dbraw/zinc/70/41/10/890704110.db2.gz OJNBHHISNCFXCJ-NRFANRHFSA-N 0 1 391.427 3.943 20 5 GHBDMN O=[N+]([O-])c1ccc(OCCNCc2c(F)ccc(C3OCCO3)c2Cl)cc1 ZINC000812832454 891015844 /nfs/dbraw/zinc/01/58/44/891015844.db2.gz MLCNMLASBBZANZ-UHFFFAOYSA-N 0 1 396.802 3.601 20 5 GHBDMN C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000475992376 891907403 /nfs/dbraw/zinc/90/74/03/891907403.db2.gz VTFHGDNEDSYYBY-OAHLLOKOSA-N 0 1 383.448 3.605 20 5 GHBDMN C[C@H](N[C@@H](C)c1ccc2c(c1)OCO2)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000192465244 892501738 /nfs/dbraw/zinc/50/17/38/892501738.db2.gz WVQLQGICZZPHFH-QWRGUYRKSA-N 0 1 391.811 3.655 20 5 GHBDMN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cc(F)c(F)cc2N2CCCCC2)c1 ZINC000562911794 893137828 /nfs/dbraw/zinc/13/78/28/893137828.db2.gz PQGZYWIJWUWOCO-UHFFFAOYSA-N 0 1 397.403 3.664 20 5 GHBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@@H](Cc2nccs2)C1 ZINC000934335512 893554751 /nfs/dbraw/zinc/55/47/51/893554751.db2.gz IRBUMQADYWCSRD-STQMWFEESA-N 0 1 385.449 3.727 20 5 GHBDMN CC(C)(C)N1CC[C@@](F)(C(=O)OCc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000815251885 893636291 /nfs/dbraw/zinc/63/62/91/893636291.db2.gz ZVVYCARXTABUBR-INIZCTEOSA-N 0 1 392.349 3.869 20 5 GHBDMN C[C@@H]1CN(c2ccc(CN[C@H]3CCCc4ccc([N+](=O)[O-])cc43)cn2)C[C@@H](C)O1 ZINC000249034749 893643811 /nfs/dbraw/zinc/64/38/11/893643811.db2.gz SDIWUYQXYOABDF-ZOCZFRKYSA-N 0 1 396.491 3.771 20 5 GHBDMN CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CCC[C@@H](CO)CC2)cc1OC ZINC000563901498 894308118 /nfs/dbraw/zinc/30/81/18/894308118.db2.gz FQCKCZQZXZLJAZ-HZPDHXFCSA-N 0 1 380.485 3.623 20 5 GHBDMN CN(Cc1ccco1)Cc1ccccc1CNc1c(Cl)cncc1[N+](=O)[O-] ZINC001185429001 913857719 /nfs/dbraw/zinc/85/77/19/913857719.db2.gz GGOUWLVUXHDBHC-UHFFFAOYSA-N 0 1 386.839 3.902 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(CN2CC[C@H](c3ccncc3)C2)o1 ZINC000878629675 894466800 /nfs/dbraw/zinc/46/68/00/894466800.db2.gz HZDVHEMBCCSUNA-ZDUSSCGKSA-N 0 1 385.811 3.683 20 5 GHBDMN CN(C)[C@H](CNC(=O)CCc1ccc([N+](=O)[O-])cc1Cl)c1cccs1 ZINC001135457020 894620292 /nfs/dbraw/zinc/62/02/92/894620292.db2.gz RGEISRJSQWQQIQ-OAHLLOKOSA-N 0 1 381.885 3.661 20 5 GHBDMN O=[N+]([O-])c1cc(I)cc(CNCc2ccc(F)cc2)c1 ZINC000565862660 895941147 /nfs/dbraw/zinc/94/11/47/895941147.db2.gz AEFLVABFXPTGNW-UHFFFAOYSA-N 0 1 386.164 3.628 20 5 GHBDMN C[N@@H+](CCc1cccc([N+](=O)[O-])c1)[C@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC000566860562 896640158 /nfs/dbraw/zinc/64/01/58/896640158.db2.gz PELRTAPXJJCBCL-INIZCTEOSA-N 0 1 382.338 3.914 20 5 GHBDMN O=C(c1cccc(Cl)c1[N+](=O)[O-])N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000819641101 896881046 /nfs/dbraw/zinc/88/10/46/896881046.db2.gz ZFGCJLFUDFQCPY-MAUKXSAKSA-N 0 1 385.851 3.595 20 5 GHBDMN CC1(C)C[C@H](NCc2ccnc(-c3ccccn3)n2)c2cc([N+](=O)[O-])ccc21 ZINC000883293670 897463033 /nfs/dbraw/zinc/46/30/33/897463033.db2.gz BNBKWVDJNLMIQC-IBGZPJMESA-N 0 1 375.432 3.959 20 5 GHBDMN COc1cccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)N(C)C)c1 ZINC000823596699 899121852 /nfs/dbraw/zinc/12/18/52/899121852.db2.gz SMJQVKSMOHDMHR-GOSISDBHSA-N 0 1 391.855 3.598 20 5 GHBDMN O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccc(C(F)F)cc2)c2cccnc21 ZINC000570721520 899534146 /nfs/dbraw/zinc/53/41/46/899534146.db2.gz ZFZLZNUQGZUELF-UHFFFAOYSA-N 0 1 379.344 3.881 20 5 GHBDMN CC(C)(C)O[C@@H]1C[C@H](NCc2ccc([N+](=O)[O-])c(Cl)c2)[C@H]1n1cccn1 ZINC000825118873 899989892 /nfs/dbraw/zinc/98/98/92/899989892.db2.gz YMDPCNRVKJYWIP-USXIJHARSA-N 0 1 378.860 3.732 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135241936 900207302 /nfs/dbraw/zinc/20/73/02/900207302.db2.gz JNFNQXPJSRIMAM-UHFFFAOYSA-N 0 1 398.419 3.805 20 5 GHBDMN COc1ccc(CN2CCC(CCNC(=O)OC(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000844441940 900865024 /nfs/dbraw/zinc/86/50/24/900865024.db2.gz BWFTXIAAJABWMV-UHFFFAOYSA-N 0 1 393.484 3.730 20 5 GHBDMN C[C@@H]1C[C@]2(CC[C@@H](CNCc3csc(-c4cccc([N+](=O)[O-])c4)n3)O2)CO1 ZINC000886333072 900938898 /nfs/dbraw/zinc/93/88/98/900938898.db2.gz CISLIRHTSLKIIC-XVGQJIODSA-N 0 1 389.477 3.535 20 5 GHBDMN Cn1ccnc1[C@@H](NC[C@]1(C)CCOC2(CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000886776321 901267718 /nfs/dbraw/zinc/26/77/18/901267718.db2.gz CLIZAHJLXJTNJA-AZUAARDMSA-N 0 1 384.480 3.747 20 5 GHBDMN Cc1ccc([C@H](C)N[C@@H](C)c2ccc(S(C)(=O)=O)c(F)c2)cc1[N+](=O)[O-] ZINC000124037930 902015251 /nfs/dbraw/zinc/01/52/51/902015251.db2.gz NLBRDQPJXIEIAP-STQMWFEESA-N 0 1 380.441 3.858 20 5 GHBDMN CC[C@H](N[C@H](C)c1ccc(S(C)(=O)=O)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000124098970 902024262 /nfs/dbraw/zinc/02/42/62/902024262.db2.gz LQFJDHRVHNFUMI-PXAZEXFGSA-N 0 1 380.441 3.939 20 5 GHBDMN O=[N+]([O-])c1cc(I)cc(CNc2ccc3c[nH]nc3c2)c1 ZINC000600857590 903013413 /nfs/dbraw/zinc/01/34/13/903013413.db2.gz CXTNMRDCYGAFOC-UHFFFAOYSA-N 0 1 394.172 3.688 20 5 GHBDMN C[C@@]1(Cc2ccc(F)cc2)CCCN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001171308676 903813642 /nfs/dbraw/zinc/81/36/42/903813642.db2.gz SIYLZCYHGQFTGU-QFIPXVFZSA-N 0 1 397.450 3.720 20 5 GHBDMN O=[N+]([O-])c1ccc(OC(F)F)c(CN2CCCN3c4ccccc4C[C@H]3C2)c1 ZINC000578474790 903879050 /nfs/dbraw/zinc/87/90/50/903879050.db2.gz FUMRXLFARNJHTG-KRWDZBQOSA-N 0 1 389.402 3.833 20 5 GHBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(-c2nccc(C)n2)cc1 ZINC000578544922 903948445 /nfs/dbraw/zinc/94/84/45/903948445.db2.gz YZNTTYFYLMBNRC-UHFFFAOYSA-N 0 1 398.444 3.723 20 5 GHBDMN C[C@H](CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)N1CCCC[C@@H]1C ZINC000578951301 904248394 /nfs/dbraw/zinc/24/83/94/904248394.db2.gz NQLFXINWEATTAB-JKSUJKDBSA-N 0 1 377.488 3.674 20 5 GHBDMN CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc3nc([C@@H]4CCCO4)[nH]c3c2)c1 ZINC000282771291 904307964 /nfs/dbraw/zinc/30/79/64/904307964.db2.gz DVUREPRNTUTZHN-SFHVURJKSA-N 0 1 396.403 3.974 20 5 GHBDMN CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1CN(Cc1ccc([N+](=O)[O-])c(F)c1)C2 ZINC001171786130 905047558 /nfs/dbraw/zinc/04/75/58/905047558.db2.gz QFBUXVIHUJFEPB-YWZLYKJASA-N 0 1 393.459 3.861 20 5 GHBDMN Cc1cc(-n2cccn2)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000190378111 906009100 /nfs/dbraw/zinc/00/91/00/906009100.db2.gz JVEXLOQBRZEKFG-UHFFFAOYSA-N 0 1 392.824 3.543 20 5 GHBDMN Cc1ccc([C@H](C)N[C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1[N+](=O)[O-] ZINC000177603949 906177936 /nfs/dbraw/zinc/17/79/36/906177936.db2.gz OSAXPHBORPPVBX-CABCVRRESA-N 0 1 391.493 3.565 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C[C@H](C)NCc2cccnc2Br)c1F ZINC001173182716 906264680 /nfs/dbraw/zinc/26/46/80/906264680.db2.gz KWOOZVWYCSCVIW-JTQLQIEISA-N 0 1 398.232 3.621 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CCN(C)[C@@H](c3ccccc3)C2)c1F ZINC001173190961 906273507 /nfs/dbraw/zinc/27/35/07/906273507.db2.gz YMPIEJNZYWPTSJ-DNVCBOLYSA-N 0 1 387.455 3.662 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CCC[C@@H]2CC(=O)OC(C)(C)C)c1F ZINC001173192084 906275560 /nfs/dbraw/zinc/27/55/60/906275560.db2.gz HZYLEBOUPCUDLV-ZIAGYGMSSA-N 0 1 396.459 3.870 20 5 GHBDMN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCN(c2nsc3ccccc32)CC1 ZINC001173220844 906298315 /nfs/dbraw/zinc/29/83/15/906298315.db2.gz DAPDBVZCXVYAGP-HNNXBMFYSA-N 0 1 382.489 3.958 20 5 GHBDMN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCCC12CN(C(=O)OC(C)(C)C)C2 ZINC001173223159 906303682 /nfs/dbraw/zinc/30/36/82/906303682.db2.gz YVBBLTRNBSKRTM-HNNXBMFYSA-N 0 1 375.469 3.611 20 5 GHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCCCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000773370140 906337804 /nfs/dbraw/zinc/33/78/04/906337804.db2.gz YRRYWOVFUKTZMH-YLJYHZDGSA-N 0 1 384.432 3.809 20 5 GHBDMN C[C@H](NCc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000178650458 906368025 /nfs/dbraw/zinc/36/80/25/906368025.db2.gz JHONDPKCSGSNGC-BBWFWOEESA-N 0 1 397.475 3.695 20 5 GHBDMN Cc1[nH+]c2ccc(Br)cn2c1Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001174504012 907080000 /nfs/dbraw/zinc/08/00/00/907080000.db2.gz SVXPQSDLWQUIDJ-UHFFFAOYSA-N 0 1 391.181 3.755 20 5 GHBDMN Cc1ccc([C@H](C)NCC(=O)Nc2ccccc2OC(F)F)cc1[N+](=O)[O-] ZINC000181821457 907085970 /nfs/dbraw/zinc/08/59/70/907085970.db2.gz HPGPYZWIUYSVMF-LBPRGKRZSA-N 0 1 379.363 3.794 20 5 GHBDMN COc1ccc(NC(=O)CN2CCC[C@@]2(C)Cc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC001175034545 907347180 /nfs/dbraw/zinc/34/71/80/907347180.db2.gz ABBLBJVUCYEMBS-QFIPXVFZSA-N 0 1 397.475 3.948 20 5 GHBDMN CC(C)(C)OC(=O)N1C[C@@]2(C)CN(Cc3ccccc3[N+](=O)[O-])C[C@@]2(C)C1 ZINC001175044411 907353831 /nfs/dbraw/zinc/35/38/31/907353831.db2.gz GEODHVHEJPWWOH-BGYRXZFFSA-N 0 1 375.469 3.674 20 5 GHBDMN Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CC[C@@H](C(C)(C)O)C2)c([N+](=O)[O-])c1 ZINC001175883457 907790857 /nfs/dbraw/zinc/79/08/57/907790857.db2.gz VEWHSBOGUZASSD-XLIONFOSSA-N 0 1 397.475 3.676 20 5 GHBDMN CCn1ncc2ccc(NS(=O)(=O)c3cc(Cl)c(C)c([N+](=O)[O-])c3)cc21 ZINC000195730731 909036551 /nfs/dbraw/zinc/03/65/51/909036551.db2.gz QUOOJQARVUYEBA-UHFFFAOYSA-N 0 1 394.840 3.727 20 5 GHBDMN O=C(Cc1n[nH]c(Cc2ccccc2)n1)Nc1cc2cccnc2c2ncccc12 ZINC001178417921 909051110 /nfs/dbraw/zinc/05/11/10/909051110.db2.gz MNINFQANPKHLHK-UHFFFAOYSA-N 0 1 394.438 3.673 20 5 GHBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC000266618896 909234217 /nfs/dbraw/zinc/23/42/17/909234217.db2.gz FCSFEEQXLHEIID-OAHLLOKOSA-N 0 1 385.439 3.823 20 5 GHBDMN CCC[C@@H](NCc1cccc(C(=O)N2CCOCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000268784787 910015268 /nfs/dbraw/zinc/01/52/68/910015268.db2.gz BVUSGJSBRMNSJJ-OAQYLSRUSA-N 0 1 397.475 3.698 20 5 GHBDMN CCOc1ccc2c(c1)c(=N)c1ccc(N)cc1n2C(=O)C[C@H]1CCCCO1 ZINC001180414628 910155635 /nfs/dbraw/zinc/15/56/35/910155635.db2.gz KQZXHYPYEGPZEH-OAHLLOKOSA-N 0 1 379.460 3.854 20 5 GHBDMN CC[C@H](C)CN(CC)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000795441475 910326224 /nfs/dbraw/zinc/32/62/24/910326224.db2.gz YYRZHRDQMMLYLZ-NSHDSACASA-N 0 1 384.274 3.639 20 5 GHBDMN CC[C@@H](C)CN(CC)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000795441473 910326992 /nfs/dbraw/zinc/32/69/92/910326992.db2.gz YYRZHRDQMMLYLZ-LLVKDONJSA-N 0 1 384.274 3.639 20 5 GHBDMN C[C@H](NCc1ccc(Br)c([N+](=O)[O-])c1)c1ccc([S@@](C)=O)cc1 ZINC000270136853 910455273 /nfs/dbraw/zinc/45/52/73/910455273.db2.gz QKCIBYKGOWEIHR-BSNNYGBQSA-N 0 1 397.294 3.946 20 5 GHBDMN O=C(Nc1n[nH]c2nc(C(F)(F)F)ccc12)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC001181139770 910566164 /nfs/dbraw/zinc/56/61/64/910566164.db2.gz GFBVKSBVLANFHA-UHFFFAOYSA-N 0 1 390.281 3.619 20 5 GHBDMN O=[N+]([O-])c1nc[nH]c1-c1nc(-c2cc(OCc3ccc(F)cc3)ccc2F)no1 ZINC001212893205 911370171 /nfs/dbraw/zinc/37/01/71/911370171.db2.gz RJQPKVNHBKYPNR-UHFFFAOYSA-N 0 1 399.313 3.892 20 5 GHBDMN CCCCN(C)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2OC)cc1 ZINC000795617480 911432795 /nfs/dbraw/zinc/43/27/95/911432795.db2.gz WDVKFJVZZXUKIV-UHFFFAOYSA-N 0 1 393.465 3.641 20 5 GHBDMN CC(C)(C)OC(=O)N1CCC[C@@]2(CCN(Cc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000802010151 921753330 /nfs/dbraw/zinc/75/33/30/921753330.db2.gz CIFPTLRDVHUTCF-FQEVSTJZSA-N 0 1 375.469 3.818 20 5 GHBDMN CCOc1cccc([C@@H](C)NCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000775214018 916330470 /nfs/dbraw/zinc/33/04/70/916330470.db2.gz YFIAFKWXFTXOBW-GFCCVEGCSA-N 0 1 377.828 3.936 20 5 GHBDMN CN(C)[C@H](CNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])c1cccs1 ZINC000294397841 916785580 /nfs/dbraw/zinc/78/55/80/916785580.db2.gz PETLUYQVJFVVOR-CYBMUJFWSA-N 0 1 387.383 3.708 20 5 GHBDMN CCO[C@H]1C[C@H](N(C)Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1(CC)CC ZINC001191821401 918245675 /nfs/dbraw/zinc/24/56/75/918245675.db2.gz MNMWQAJRUULVQA-ROUUACIJSA-N 0 1 378.469 3.797 20 5 GHBDMN 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Nc1ccc2n(C(=O)c3cnc4[nH]ccc(Cl)c3-4)c3ccccc3cc-2c1=O ZINC001153102474 1031461778 /nfs/dbraw/zinc/46/17/78/1031461778.db2.gz NFCILDUYZFCFQN-UHFFFAOYSA-N 0 1 388.814 3.907 20 5 GHBDMN N[C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)NCc1ccc(Cl)nn1 ZINC001220369559 1031915812 /nfs/dbraw/zinc/91/58/12/1031915812.db2.gz YBIZKNCSCPSXCR-FQEVSTJZSA-N 0 1 390.874 3.623 20 5 GHBDMN C[NH+]1CCC2(CC[C@H](COc3ccc4c(c3)oc3cc([O-])ccc3c4=O)O2)CC1 ZINC001229516439 1033533810 /nfs/dbraw/zinc/53/38/10/1033533810.db2.gz JRRJDYSKZMNRAQ-QGZVFWFLSA-N 0 1 395.455 3.674 20 5 GHBDMN COc1cc(F)ccc1-c1noc(-c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)n1 ZINC001213008487 1033581241 /nfs/dbraw/zinc/58/12/41/1033581241.db2.gz NNYGNWKRCVUBMA-UHFFFAOYSA-N 0 1 381.323 3.850 20 5 GHBDMN C[C@@H]1[C@H](C)OC[C@]12CC[C@@H](CNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])O2 ZINC001207590198 1034471038 /nfs/dbraw/zinc/47/10/38/1034471038.db2.gz XZFDBARPIABAQD-NDIKUOACSA-N 0 1 389.279 3.964 20 5 GHBDMN Cc1cc(O)c([N+](=O)[O-])c(O[C@H]2CCOc3ccc(Br)cc32)n1 ZINC001231260542 1034489549 /nfs/dbraw/zinc/48/95/49/1034489549.db2.gz UAFYLZZNLHPBFE-ZDUSSCGKSA-N 0 1 381.182 3.669 20 5 GHBDMN Cc1cc(O)c([N+](=O)[O-])c(O[C@H]2CCN(C(=O)OC(C)(C)C)C(C)(C)C2)n1 ZINC001231263545 1034491081 /nfs/dbraw/zinc/49/10/81/1034491081.db2.gz KRXDGIWTZJZKSK-LBPRGKRZSA-N 0 1 381.429 3.561 20 5 GHBDMN OC[C@@H]1[C@H](C(F)(F)F)CCCN1Cc1ccc2ccc3cccnc3c2n1 ZINC001232219044 1035168403 /nfs/dbraw/zinc/16/84/03/1035168403.db2.gz PLSUNYSNLBCZNJ-IAGOWNOFSA-N 0 1 375.394 3.918 20 5 GHBDMN CC(C)(C)OC(=O)N1C[C@H]2CN(Cc3ccc4ccc5cccnc5c4n3)C[C@@H]21 ZINC001232225326 1035171301 /nfs/dbraw/zinc/17/13/01/1035171301.db2.gz ATZLLJCZPKWKJA-MJGOQNOKSA-N 0 1 390.487 3.834 20 5 GHBDMN Cc1cnc(OC2CCN(Cc3ccc4ccc5cccnc5c4n3)CC2)nc1 ZINC001232228655 1035173021 /nfs/dbraw/zinc/17/30/21/1035173021.db2.gz TVSYIQNBLBXOTQ-UHFFFAOYSA-N 0 1 385.471 3.925 20 5 GHBDMN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1CCc2cccc(Cl)c2C1 ZINC001161310307 1035207480 /nfs/dbraw/zinc/20/74/80/1035207480.db2.gz KQQCDGZKEBSJTF-UHFFFAOYSA-N 0 1 382.807 3.837 20 5 GHBDMN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1c(C2CC2)n[nH]c1-c1cccc(F)c1 ZINC001161446400 1035233014 /nfs/dbraw/zinc/23/30/14/1035233014.db2.gz KDASUSWBKMYNEO-UHFFFAOYSA-N 0 1 381.367 3.957 20 5 GHBDMN O=C(N[C@@H]1CCCC[C@H]1NCc1nc2cc([N+](=O)[O-])ccc2o1)c1ccccc1 ZINC001462449813 1070259756 /nfs/dbraw/zinc/25/97/56/1070259756.db2.gz WIDFTIYCKBVHEZ-IAGOWNOFSA-N 0 1 394.431 3.567 20 5 GHBDMN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CC2CC1(CNC(=O)OC(C)(C)C)C2 ZINC001254552293 1040321617 /nfs/dbraw/zinc/32/16/17/1040321617.db2.gz KATBFQHAOJLUGE-BQTBQCLESA-N 0 1 375.469 3.515 20 5 GHBDMN COc1cc(C(=O)Nc2ncccc2O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC001296272378 1045292661 /nfs/dbraw/zinc/29/26/61/1045292661.db2.gz YOMZGXVICOTCFA-UHFFFAOYSA-N 0 1 395.371 3.535 20 5 GHBDMN CN(CCCOCc1ccccc1)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC001296885024 1045392094 /nfs/dbraw/zinc/39/20/94/1045392094.db2.gz FHXPELUHELVYJS-UHFFFAOYSA-N 0 1 394.431 3.664 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)NCCc2ccccc2Cl)c1 ZINC001462955382 1070687764 /nfs/dbraw/zinc/68/77/64/1070687764.db2.gz SDSKVJRAWADYMS-UHFFFAOYSA-N 0 1 393.223 3.562 20 5 GHBDMN Cn1ccnc1C[C@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC001261237119 1045934913 /nfs/dbraw/zinc/93/49/13/1045934913.db2.gz HVVOLGZUDPOGJW-CYBMUJFWSA-N 0 1 382.386 3.802 20 5 GHBDMN CCCc1ccc(C(=O)Nc2cc(N3CCN(C)CC3)ccc2[N+](=O)[O-])cc1 ZINC001463053832 1070760250 /nfs/dbraw/zinc/76/02/50/1070760250.db2.gz PAJINNQOSCGWDV-UHFFFAOYSA-N 0 1 382.464 3.551 20 5 GHBDMN COc1ccc(NC(=O)NC[C@H](c2ccc(Cl)cc2)N(C)C)c([N+](=O)[O-])c1 ZINC001263627169 1047003418 /nfs/dbraw/zinc/00/34/18/1047003418.db2.gz ALAQUVUZEIRWRY-QGZVFWFLSA-N 0 1 392.843 3.681 20 5 GHBDMN O=C(NC[C@H](c1c[nH]c2ccccc21)c1ccccc1Cl)[C@@H]1CC1[N+](=O)[O-] ZINC001264208545 1047267023 /nfs/dbraw/zinc/26/70/23/1047267023.db2.gz ICBSIEOIQLMMSU-ZRGWGRIASA-N 0 1 383.835 3.735 20 5 GHBDMN CN(CCN1CCN(c2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1C(F)F ZINC001306979438 1048989889 /nfs/dbraw/zinc/98/98/89/1048989889.db2.gz RWEJPPAPZLLSBS-UHFFFAOYSA-N 0 1 390.434 3.791 20 5 GHBDMN COC(=O)/C=C/c1ccc(OCCN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC001307647418 1049473193 /nfs/dbraw/zinc/47/31/93/1049473193.db2.gz BZQBJFSRXUSECA-AWNIVKPZSA-N 0 1 396.443 3.824 20 5 GHBDMN COc1ccc(Cl)c2c1CCC[C@@H]2N(C)CCn1c(C)ncc1[N+](=O)[O-] ZINC001307895070 1049673021 /nfs/dbraw/zinc/67/30/21/1049673021.db2.gz VTUDGFUKJNOSGX-HNNXBMFYSA-N 0 1 378.860 3.771 20 5 GHBDMN CC1(C)CCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@H]1c1ccccc1 ZINC001308114485 1049859421 /nfs/dbraw/zinc/85/94/21/1049859421.db2.gz RJNDUFXGWQINCY-FQEVSTJZSA-N 0 1 393.487 4.000 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)c2ncnc(NC3CCN(Cc4ccncc4)CC3)c2c1 ZINC001329975524 1050932349 /nfs/dbraw/zinc/93/23/49/1050932349.db2.gz BZSOEHUJWJSOKK-UHFFFAOYSA-N 0 1 398.854 3.663 20 5 GHBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCCc1ccc(Cl)c(Cl)c1 ZINC001309845364 1051001906 /nfs/dbraw/zinc/00/19/06/1051001906.db2.gz PPRUKINGAXTHLF-UHFFFAOYSA-N 0 1 393.223 3.562 20 5 GHBDMN CN1CCN(c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)[C@@H](c2ccccc2)C1 ZINC001330623001 1051044235 /nfs/dbraw/zinc/04/42/35/1051044235.db2.gz XGCBCQUIBITNGP-QGZVFWFLSA-N 0 1 383.839 3.685 20 5 GHBDMN CCC[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)Cc1nc(=O)c2sccc2[n-]1 ZINC001321424001 1056255887 /nfs/dbraw/zinc/25/58/87/1056255887.db2.gz OJQRAQPMHDJJHO-UHFFFAOYSA-N 0 1 376.413 3.856 20 5 GHBDMN CCC[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)Cc1nc(=O)c2sccc2[n-]1 ZINC001321424001 1056255900 /nfs/dbraw/zinc/25/59/00/1056255900.db2.gz OJQRAQPMHDJJHO-UHFFFAOYSA-N 0 1 376.413 3.856 20 5 GHBDMN C[C@@H](NCc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C1(S(C)(=O)=O)CC1 ZINC001321903735 1056439461 /nfs/dbraw/zinc/43/94/61/1056439461.db2.gz NPTOEGYMZBUALY-LLVKDONJSA-N 0 1 398.868 3.564 20 5 GHBDMN Cc1cccc(CN2CCCC[C@@H]2C(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1 ZINC001321941361 1056451270 /nfs/dbraw/zinc/45/12/70/1056451270.db2.gz JWTNIDCUZFYZGM-HXUWFJFHSA-N 0 1 379.460 3.847 20 5 GHBDMN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CN1CCC[C@H](N2CCOCC2)CC1 ZINC000848930048 1057430829 /nfs/dbraw/zinc/43/08/29/1057430829.db2.gz MZRMULXMZQVMTD-HNNXBMFYSA-N 0 1 388.295 3.588 20 5 GHBDMN Cc1ccc(C(=O)Nc2cc(N3CCN(C)CC3)ccc2[N+](=O)[O-])c(Cl)c1 ZINC001439673878 1058258369 /nfs/dbraw/zinc/25/83/69/1058258369.db2.gz DIKDGRCQJMKNDR-UHFFFAOYSA-N 0 1 388.855 3.561 20 5 GHBDMN O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1cccc2c1CN(C1CC1)C2 ZINC001447223692 1059938073 /nfs/dbraw/zinc/93/80/73/1059938073.db2.gz CPTNOKONHZNRTC-UHFFFAOYSA-N 0 1 396.403 3.552 20 5 GHBDMN COc1ccc2nc([C@@H](C)NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)[nH]c2c1 ZINC001448107029 1060104776 /nfs/dbraw/zinc/10/47/76/1060104776.db2.gz UOUPAACFLKCMFC-SNVBAGLBSA-N 0 1 380.360 3.717 20 5 GHBDMN COC(=O)Nc1cccc(NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)c1C ZINC001448675369 1060242244 /nfs/dbraw/zinc/24/22/44/1060242244.db2.gz RCGXMFMRXWTYLC-UHFFFAOYSA-N 0 1 395.375 3.724 20 5 GHBDMN Cc1onc(OC(F)F)c1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC001458993593 1063977706 /nfs/dbraw/zinc/97/77/06/1063977706.db2.gz WQVXTMKXROIBKV-UHFFFAOYSA-N 0 1 392.112 3.507 20 5 GHBDMN Cc1ccccc1[C@H]1C[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1 ZINC001463625284 1064509373 /nfs/dbraw/zinc/50/93/73/1064509373.db2.gz RGCLKUVMNLZCGV-HAQNSBGRSA-N 0 1 398.843 3.920 20 5 GHBDMN Cc1ccc([C@@H]2C[C@@H](C)N(CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C2)cc1 ZINC001473431540 1067559360 /nfs/dbraw/zinc/55/93/60/1067559360.db2.gz GCVGOTQXQBBMOU-VQIMIIECSA-N 0 1 379.460 3.670 20 5 GHBDMN C[C@]1(Cc2cccc(F)c2)CCCN1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001460273837 1068901455 /nfs/dbraw/zinc/90/14/55/1068901455.db2.gz BPYCSKYHOQMPTH-JOCHJYFZSA-N 0 1 397.450 3.720 20 5 GHBDMN O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCCC[C@H]1Cc1ccccc1F ZINC001460359475 1068940613 /nfs/dbraw/zinc/94/06/13/1068940613.db2.gz YQGPVGSWNWACDC-ROUUACIJSA-N 0 1 388.439 3.571 20 5 GHBDMN CCOc1cc(CN(C)CC(C)(C)NC(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC001460415797 1068958312 /nfs/dbraw/zinc/95/83/12/1068958312.db2.gz IIOYUERYXRCEFV-UHFFFAOYSA-N 0 1 381.473 3.729 20 5 GHBDMN CC[C@@H](N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1cccc(OC)c1OC ZINC001460653272 1069059950 /nfs/dbraw/zinc/05/99/50/1069059950.db2.gz WAQYRARBJJEJDT-DZGCQCFKSA-N 0 1 387.436 3.680 20 5 GHBDMN COc1cc2c(cc1OC)C(C)(C)N(CCOc1ccc([N+](=O)[O-])cc1)CC2 ZINC001460713022 1069112916 /nfs/dbraw/zinc/11/29/16/1069112916.db2.gz ZPLKZOYVYGLNBF-UHFFFAOYSA-N 0 1 386.448 3.784 20 5 GHBDMN C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)N1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001460852717 1069222205 /nfs/dbraw/zinc/22/22/05/1069222205.db2.gz RREKAKYBRNVOLU-VWKPWSFCSA-N 0 1 383.448 3.774 20 5 GHBDMN Cc1ccc(CNC(=O)c2cn[nH]c2-c2ccc(Cl)s2)cc1[N+](=O)[O-] ZINC001471242790 1072980876 /nfs/dbraw/zinc/98/08/76/1072980876.db2.gz LHURISGUWOZYTO-UHFFFAOYSA-N 0 1 376.825 3.938 20 5 GHBDMN O=[N+]([O-])c1ccccc1-c1nnc(CN2CC[C@H](Cc3ccc(F)cc3)C2)o1 ZINC001473174261 1073831054 /nfs/dbraw/zinc/83/10/54/1073831054.db2.gz SDQDOKYZPPHCID-OAHLLOKOSA-N 0 1 382.395 3.849 20 5 GHBDMN CC(C)CN(CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1Br ZINC001473219111 1073866856 /nfs/dbraw/zinc/86/68/56/1073866856.db2.gz BLEJHUKRLIWOIZ-UHFFFAOYSA-N 0 1 381.274 3.712 20 5 GHBDMN Cc1ccc(Cl)c(OC[C@@H](O)CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC001473233528 1073878172 /nfs/dbraw/zinc/87/81/72/1073878172.db2.gz PHJHKGUQBFSFHA-SFHVURJKSA-N 0 1 390.867 3.961 20 5 GHBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN(C)CC2(O)CCCC2)cc1OC ZINC001473299268 1073911022 /nfs/dbraw/zinc/91/10/22/1073911022.db2.gz HQVBQFUBUPRMMY-HNNXBMFYSA-N 0 1 380.485 3.765 20 5 GHBDMN COC(=O)[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H]1c1ccc(Cl)cc1 ZINC001473592614 1074036835 /nfs/dbraw/zinc/03/68/35/1074036835.db2.gz SASBYAGJFSLTJO-JKSUJKDBSA-N 0 1 392.814 3.776 20 5 GHBDMN CC[C@@H](N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1cccc(OC)c1OC ZINC001473733013 1074114572 /nfs/dbraw/zinc/11/45/72/1074114572.db2.gz RYLRHJYWUFBLSE-CXAGYDPISA-N 0 1 387.436 3.680 20 5 GHBDMN O=C(OCc1ccccc1)[C@@H]1C[C@@H]2CCC[C@@H]2N1Cc1cc(O)ccc1[N+](=O)[O-] ZINC001473780819 1074138815 /nfs/dbraw/zinc/13/88/15/1074138815.db2.gz CQHCYVQKIKMLGU-LRQRDZAKSA-N 0 1 396.443 3.787 20 5 GHBDMN COc1ccccc1O[C@@H](C)CNCc1c(Br)cccc1[N+](=O)[O-] ZINC001474029690 1074241375 /nfs/dbraw/zinc/24/13/75/1074241375.db2.gz XASAMIYOAACOFS-LBPRGKRZSA-N 0 1 395.253 3.923 20 5 GHBDMN O=[N+]([O-])c1ccc(CNCCN(Cc2ccccc2)c2ccccn2)c(F)c1 ZINC001474698451 1074522110 /nfs/dbraw/zinc/52/21/10/1074522110.db2.gz VJZOAJOMIJIYRJ-UHFFFAOYSA-N 0 1 380.423 3.925 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NC[C@]12C[C@H]1CCCC2 ZINC001475679689 1074998733 /nfs/dbraw/zinc/99/87/33/1074998733.db2.gz SSEMKDQFSZPMOB-OTYXRUKQSA-N 0 1 379.265 3.760 20 5 GHBDMN CCOc1ccc2nc(S[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2c1 ZINC000010732448 221107631 /nfs/dbraw/zinc/10/76/31/221107631.db2.gz AMOAMCMEZKAZSL-LLVKDONJSA-N 0 1 386.433 3.989 20 5 GHBDMN Cc1nc(-c2cccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3C)c2)oc1C ZINC000057119741 222028091 /nfs/dbraw/zinc/02/80/91/222028091.db2.gz CFMNQXPNDSRXRP-UHFFFAOYSA-N 0 1 387.417 3.976 20 5 GHBDMN Cn1cc[nH+]c1C[C@H](Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])c1ccccc1 ZINC000833059058 600826296 /nfs/dbraw/zinc/82/62/96/600826296.db2.gz UZLTVTONSHWLIT-IZTUGPKFSA-N 0 1 392.415 3.822 20 5 GHBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000833552199 604950844 /nfs/dbraw/zinc/95/08/44/604950844.db2.gz XWPNRTFAVZRYEU-GXTWGEPZSA-N 0 1 388.424 3.529 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CC[C@H]2[C@H]1CCN2Cc1cccnc1 ZINC001164721215 720357990 /nfs/dbraw/zinc/35/79/90/720357990.db2.gz BQMAZZNELYFEMR-UONOGXRCSA-N 0 1 394.262 3.545 20 5 GHBDMN CC(C)N(C)Cc1cnc2n1CCN(c1ncc([N+](=O)[O-])c3ccccc31)[C@H]2C ZINC001164859969 720953646 /nfs/dbraw/zinc/95/36/46/720953646.db2.gz ORIFASBXQDPUJU-HNNXBMFYSA-N 0 1 394.479 3.761 20 5 GHBDMN Cc1cc(N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000572964697 834507713 /nfs/dbraw/zinc/50/77/13/834507713.db2.gz VYSDWIGXLKQWQX-HNAYVOBHSA-N 0 1 383.448 3.924 20 5 GHBDMN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(Oc3ccncc3)cc2)cs1 ZINC000120223843 834942858 /nfs/dbraw/zinc/94/28/58/834942858.db2.gz LZAZKHMJJXTPIB-UHFFFAOYSA-N 0 1 377.403 3.644 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CC[C@H](Cc2ccccc2)[C@@H]1C ZINC000472333339 835047864 /nfs/dbraw/zinc/04/78/64/835047864.db2.gz BWJGSUKPZRKVDQ-XYJFISCASA-N 0 1 397.475 3.884 20 5 GHBDMN CC(C)(C)OC(=O)CCN(Cc1ccc([N+](=O)[O-])cc1Cl)C1CCOCC1 ZINC000583991879 835369685 /nfs/dbraw/zinc/36/96/85/835369685.db2.gz BBWHKBHCAIOLJN-UHFFFAOYSA-N 0 1 398.887 3.961 20 5 GHBDMN CC[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1ccc(Cl)cc1 ZINC000024252950 835442691 /nfs/dbraw/zinc/44/26/91/835442691.db2.gz MMYUTXBLQUALAE-OAHLLOKOSA-N 0 1 377.828 3.936 20 5 GHBDMN COc1ccccc1C[C@H](C)N(C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000174035720 836358112 /nfs/dbraw/zinc/35/81/12/836358112.db2.gz LIJUUJQQURZVEF-AWEZNQCLSA-N 0 1 382.420 3.716 20 5 GHBDMN CCN(CC)[C@@H](CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000175456373 836519971 /nfs/dbraw/zinc/51/99/71/836519971.db2.gz LNYBZFFWOSIEFA-KRWDZBQOSA-N 0 1 388.468 3.805 20 5 GHBDMN COc1ccccc1[C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1C)N1CCCC1 ZINC000043348026 836654200 /nfs/dbraw/zinc/65/42/00/836654200.db2.gz OZWPXEWFULBAIZ-IBGZPJMESA-N 0 1 398.463 3.870 20 5 GHBDMN Cc1ccc(-c2n[nH]c(SCC(=O)Nc3cc(F)cc([N+](=O)[O-])c3)n2)cc1 ZINC000473355627 844234849 /nfs/dbraw/zinc/23/48/49/844234849.db2.gz HNALZHQHZXFEIF-UHFFFAOYSA-N 0 1 387.396 3.558 20 5 GHBDMN CC[C@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000414011874 837122812 /nfs/dbraw/zinc/12/28/12/837122812.db2.gz FIRPPGQLLZMOSU-AWEZNQCLSA-N 0 1 399.447 3.797 20 5 GHBDMN Cc1cc(NC(=O)CN[C@@H](C)c2cccc([N+](=O)[O-])c2)n(-c2ccc(C)cc2)n1 ZINC000180397477 837222485 /nfs/dbraw/zinc/22/24/85/837222485.db2.gz NJKBFJMCWCHWAA-INIZCTEOSA-N 0 1 393.447 3.687 20 5 GHBDMN C[C@@H](N[C@@H](C)C(=O)N(C)Cc1nc2ccccc2s1)c1cccc([N+](=O)[O-])c1 ZINC000180409444 837228275 /nfs/dbraw/zinc/22/82/75/837228275.db2.gz JGNPEUKMWZMDIG-KGLIPLIRSA-N 0 1 398.488 3.902 20 5 GHBDMN Cc1sc(C(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)cc1[N+](=O)[O-] ZINC000247213046 837311432 /nfs/dbraw/zinc/31/14/32/837311432.db2.gz CHJGGBPBEBPIMC-MLGOLLRUSA-N 0 1 379.507 3.839 20 5 GHBDMN CCc1ccc(C(=O)NC[C@@H](c2ccc(OC)cc2)N2CCCC2)cc1[N+](=O)[O-] ZINC000471360426 837349443 /nfs/dbraw/zinc/34/94/43/837349443.db2.gz OFYBBYSRUOVCDJ-NRFANRHFSA-N 0 1 397.475 3.733 20 5 GHBDMN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 ZINC000275628267 838079590 /nfs/dbraw/zinc/07/95/90/838079590.db2.gz JFJHUUHWNVIUCU-BLVKFPJESA-N 0 1 399.441 3.830 20 5 GHBDMN COc1cc(CNCc2cc(C)n[nH]2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000610010128 838272186 /nfs/dbraw/zinc/27/21/86/838272186.db2.gz XBNBBDYSIQJFLQ-UHFFFAOYSA-N 0 1 382.420 3.504 20 5 GHBDMN COc1cc(CNCc2cc(C)[nH]n2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000610010128 838272189 /nfs/dbraw/zinc/27/21/89/838272189.db2.gz XBNBBDYSIQJFLQ-UHFFFAOYSA-N 0 1 382.420 3.504 20 5 GHBDMN COc1cc(CN[C@@H]2C[C@H]2c2ccco2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000414577444 838639936 /nfs/dbraw/zinc/63/99/36/838639936.db2.gz HEEGKCNLWWZVNO-VXGBXAGGSA-N 0 1 386.326 3.783 20 5 GHBDMN O=[N+]([O-])c1cc(CN2CCC[C@H]2C[C@H](O)c2cccs2)c2c(c1)COCO2 ZINC000175819308 839633559 /nfs/dbraw/zinc/63/35/59/839633559.db2.gz MJIWYLCRDFPJMG-RDJZCZTQSA-N 0 1 390.461 3.611 20 5 GHBDMN O=[N+]([O-])c1cc(CN2CCC[C@@H]2C[C@@H](O)c2cccs2)c2c(c1)COCO2 ZINC000175819329 839633619 /nfs/dbraw/zinc/63/36/19/839633619.db2.gz MJIWYLCRDFPJMG-NVXWUHKLSA-N 0 1 390.461 3.611 20 5 GHBDMN O=[N+]([O-])c1cc2c(cc1CNC[C@H](c1ccccc1)C(F)(F)F)OCCO2 ZINC000614408872 844462241 /nfs/dbraw/zinc/46/22/41/844462241.db2.gz DCJLQKLBXLHNEJ-CQSZACIVSA-N 0 1 382.338 3.802 20 5 GHBDMN CSc1ccc(C(=O)N2CCNC[C@@H]2c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000261892734 839856569 /nfs/dbraw/zinc/85/65/69/839856569.db2.gz VSZGWNLZYRIZCZ-MRXNPFEDSA-N 0 1 391.880 3.757 20 5 GHBDMN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(-c3cnco3)cc2)ccc1Cl ZINC000126114471 844506202 /nfs/dbraw/zinc/50/62/02/844506202.db2.gz BCUUJSVLEKFCCQ-UHFFFAOYSA-N 0 1 379.781 3.704 20 5 GHBDMN Cc1cc(N2CCC(c3nnc4ccccn43)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302063111 861192094 /nfs/dbraw/zinc/19/20/94/861192094.db2.gz ACWVMPCRIDWTHI-UHFFFAOYSA-N 0 1 388.431 3.878 20 5 GHBDMN CC(C)[C@@H](CNc1c(Cl)cc(Cl)cc1[N+](=O)[O-])N1CCN(C)CC1 ZINC000581088354 840687293 /nfs/dbraw/zinc/68/72/93/840687293.db2.gz BZOGKDWYTRCZOH-OAHLLOKOSA-N 0 1 375.300 3.586 20 5 GHBDMN CC[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1CCC(C(=O)[O-])CC1 ZINC000566507752 841210053 /nfs/dbraw/zinc/21/00/53/841210053.db2.gz BBQMVHHVQSLKNU-UHFFFAOYSA-N 0 1 387.436 3.758 20 5 GHBDMN COC(=O)c1cnc(C2CCN(Cc3ccc([N+](=O)[O-])cc3C)CC2)s1 ZINC000600188950 861192754 /nfs/dbraw/zinc/19/27/54/861192754.db2.gz IOAHAFKVKBWURG-UHFFFAOYSA-N 0 1 375.450 3.526 20 5 GHBDMN C[C@H](Sc1nc(-c2cccnc2)n[nH]1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000060531322 841367941 /nfs/dbraw/zinc/36/79/41/841367941.db2.gz XVGDAGKNIUHDNS-JTQLQIEISA-N 0 1 395.404 3.678 20 5 GHBDMN C[C@@H]1CCCN(c2ccc(C(=O)N3CCC(c4cnc[nH]4)CC3)cc2[N+](=O)[O-])C1 ZINC000610579616 841397222 /nfs/dbraw/zinc/39/72/22/841397222.db2.gz FMAXDRUQAQVWSR-OAHLLOKOSA-N 0 1 397.479 3.574 20 5 GHBDMN Cc1c([C@H](C)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)cccc1[N+](=O)[O-] ZINC000157202789 841674126 /nfs/dbraw/zinc/67/41/26/841674126.db2.gz DNYMEJWETDRTOA-INMHGKMJSA-N 0 1 384.480 3.763 20 5 GHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)NCC[C@H](c2ccccc2)C(F)(F)F)s1 ZINC000432295545 842569859 /nfs/dbraw/zinc/56/98/59/842569859.db2.gz BUCDWTMFPQSKAH-LLVKDONJSA-N 0 1 394.396 3.671 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2ccc(CNCc3cccc(N4CCOCC4)c3)o2)c1 ZINC000555592389 861327448 /nfs/dbraw/zinc/32/74/48/861327448.db2.gz QGRJJEQJMZBBOI-UHFFFAOYSA-N 0 1 393.443 3.981 20 5 GHBDMN O=C(C[C@H]1C=CCC1)Nc1ccccc1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000432493741 842683946 /nfs/dbraw/zinc/68/39/46/842683946.db2.gz XUAWYVMYMHPTFS-ZDUSSCGKSA-N 0 1 381.388 3.848 20 5 GHBDMN Cc1ccc([C@@H](CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])N2CCCC2)o1 ZINC000571773803 842784252 /nfs/dbraw/zinc/78/42/52/842784252.db2.gz DBJNKMGMIFGQGG-GOSISDBHSA-N 0 1 385.464 3.727 20 5 GHBDMN CC(=O)Nc1cccc([C@H](C)N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000028339499 861351818 /nfs/dbraw/zinc/35/18/18/861351818.db2.gz WSWSMQNERDZSKJ-UONOGXRCSA-N 0 1 384.436 3.539 20 5 GHBDMN O=[N+]([O-])c1cc(CN[C@H]2CCO[C@H]2c2ccc(Cl)cc2)c2c(c1)COCO2 ZINC000182115471 842891321 /nfs/dbraw/zinc/89/13/21/842891321.db2.gz RCXGEONDCGMVHW-HKUYNNGSSA-N 0 1 390.823 3.735 20 5 GHBDMN O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3cnn(-c4ccc(Cl)cc4)c3)C2)nc1 ZINC000128899851 843855950 /nfs/dbraw/zinc/85/59/50/843855950.db2.gz GFJNOYCVOAVCPJ-INIZCTEOSA-N 0 1 398.854 3.515 20 5 GHBDMN CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)c2ccccc12 ZINC000182265320 844650141 /nfs/dbraw/zinc/65/01/41/844650141.db2.gz ZTAFTCJWIDHKGW-UHFFFAOYSA-N 0 1 399.428 3.816 20 5 GHBDMN Cc1cc(Cl)c(S(=O)(=O)Nc2ccc(-n3cccn3)cc2)cc1[N+](=O)[O-] ZINC000176638258 845357925 /nfs/dbraw/zinc/35/79/25/845357925.db2.gz WZNCCTXQHXFMPR-UHFFFAOYSA-N 0 1 392.824 3.543 20 5 GHBDMN CCOc1ccc2nc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)[nH]c2c1 ZINC000004830275 845437597 /nfs/dbraw/zinc/43/75/97/845437597.db2.gz DOIOADGCRQRTLQ-UHFFFAOYSA-N 0 1 386.433 3.909 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCN(CCCOCC(F)(F)F)CC1 ZINC000182692764 845509819 /nfs/dbraw/zinc/50/98/19/845509819.db2.gz GIJAFFUZBCHMMV-HNNXBMFYSA-N 0 1 389.418 3.551 20 5 GHBDMN C[C@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000146498474 845761729 /nfs/dbraw/zinc/76/17/29/845761729.db2.gz WKMPDGQZAOTCKX-QMMMGPOBSA-N 0 1 376.768 3.566 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N2CCc3cc(-c4ccccc4)oc3C2)c1[N+](=O)[O-] ZINC000434020587 846161563 /nfs/dbraw/zinc/16/15/63/846161563.db2.gz HFVXKZLSQKYVCW-UHFFFAOYSA-N 0 1 380.404 3.900 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)Cc1cnn(-c2ccccc2)c1 ZINC000063483311 846370885 /nfs/dbraw/zinc/37/08/85/846370885.db2.gz GQJSVBPTYDJYEG-UHFFFAOYSA-N 0 1 393.447 3.550 20 5 GHBDMN C[C@@]1(Cc2ccc(F)cc2)CCCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000421621253 846415349 /nfs/dbraw/zinc/41/53/49/846415349.db2.gz UFFYTQQGYPDMLN-FQEVSTJZSA-N 0 1 382.395 3.848 20 5 GHBDMN CCCN1C[C@@H](CN[C@@H](c2ccc(CC)o2)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000421882402 846644324 /nfs/dbraw/zinc/64/43/24/846644324.db2.gz PQEDJFDZTBMSKD-QVKFZJNVSA-N 0 1 385.464 3.688 20 5 GHBDMN C[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@@H]2C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)o1 ZINC000502967914 846670956 /nfs/dbraw/zinc/67/09/56/846670956.db2.gz FIRXSBWXQAFEGN-KJEVXHAQSA-N 0 1 393.403 3.839 20 5 GHBDMN Cc1c(NC(=O)CCN2CCOC3(C2)CCCCCC3)cccc1[N+](=O)[O-] ZINC000478056686 846929196 /nfs/dbraw/zinc/92/91/96/846929196.db2.gz IHZUGKHOIIFBHG-UHFFFAOYSA-N 0 1 375.469 3.657 20 5 GHBDMN CC[C@@H](NCc1ccc([N+](=O)[O-])cc1F)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000478252113 847023812 /nfs/dbraw/zinc/02/38/12/847023812.db2.gz GZLROZDIYLELLK-UXHICEINSA-N 0 1 383.427 3.792 20 5 GHBDMN COc1ccc(NC(=O)CN[C@@]2(c3ccc(Cl)cc3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000503367833 847631438 /nfs/dbraw/zinc/63/14/38/847631438.db2.gz BIQNNBVOMBOVRS-BLVKFPJESA-N 0 1 389.839 3.720 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N(Cc2ccc3c(c2)CCO3)C2CCCC2)c1[N+](=O)[O-] ZINC000434194569 847668353 /nfs/dbraw/zinc/66/83/53/847668353.db2.gz RUXDKTCNWYDSGX-UHFFFAOYSA-N 0 1 398.463 3.961 20 5 GHBDMN CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000502339442 847771879 /nfs/dbraw/zinc/77/18/79/847771879.db2.gz JAJJCPBDQQMEIL-INIZCTEOSA-N 0 1 384.480 3.906 20 5 GHBDMN CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CCC[C@@H](CCO)C2)cc1OC ZINC000611660873 847830425 /nfs/dbraw/zinc/83/04/25/847830425.db2.gz QRTBPJFNXSFXDH-CVEARBPZSA-N 0 1 380.485 3.623 20 5 GHBDMN Cc1ccc2nc([C@@H]3CCCN3C(=O)Cc3cccc([N+](=O)[O-])c3C)[nH]c2c1 ZINC000178650427 848214638 /nfs/dbraw/zinc/21/46/38/848214638.db2.gz HHVKWKZDHMXGGQ-IBGZPJMESA-N 0 1 378.432 3.994 20 5 GHBDMN C[N@H+]1CCC[C@H](CNC(=O)c2ccc(F)cc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000132090925 861902418 /nfs/dbraw/zinc/90/24/18/861902418.db2.gz XZORRPZPJHPSNZ-SJKOYZFVSA-N 0 1 377.441 3.608 20 5 GHBDMN Cc1ccc([C@H](C)N[C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)cc1[N+](=O)[O-] ZINC000161531510 848638691 /nfs/dbraw/zinc/63/86/91/848638691.db2.gz FAICPNICDYYAPF-CABCVRRESA-N 0 1 391.493 3.565 20 5 GHBDMN CC[C@@H](N[C@H](C)c1cccc(S(=O)(=O)N(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000161550137 848655165 /nfs/dbraw/zinc/65/51/65/848655165.db2.gz FHKPJDNWFOFXEK-AUUYWEPGSA-N 0 1 391.493 3.647 20 5 GHBDMN O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000132176177 861936452 /nfs/dbraw/zinc/93/64/52/861936452.db2.gz PPGGQLMSDZUWQP-INIZCTEOSA-N 0 1 378.392 3.749 20 5 GHBDMN O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000132176177 861936458 /nfs/dbraw/zinc/93/64/58/861936458.db2.gz PPGGQLMSDZUWQP-INIZCTEOSA-N 0 1 378.392 3.749 20 5 GHBDMN CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000248040881 849217223 /nfs/dbraw/zinc/21/72/23/849217223.db2.gz KPZKQVWPEPUWON-UHFFFAOYSA-N 0 1 394.309 3.642 20 5 GHBDMN CCN(C)Cc1cc(O[C@@H]2CCN(c3ccc(Cl)cc3[N+](=O)[O-])C2)ccn1 ZINC000856533808 881342337 /nfs/dbraw/zinc/34/23/37/881342337.db2.gz NPSGRDFUQNAGNC-QGZVFWFLSA-N 0 1 390.871 3.753 20 5 GHBDMN CCN1C[C@H](C)N(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000435327600 850360273 /nfs/dbraw/zinc/36/02/73/850360273.db2.gz HXVBKCGLZLLWEH-QWRGUYRKSA-N 0 1 399.289 3.612 20 5 GHBDMN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000439869771 850517461 /nfs/dbraw/zinc/51/74/61/850517461.db2.gz KGESGMLESWTRDV-UHFFFAOYSA-N 0 1 398.463 3.733 20 5 GHBDMN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000439890315 850528129 /nfs/dbraw/zinc/52/81/29/850528129.db2.gz AJIVVYJUCOQVRB-UHFFFAOYSA-N 0 1 375.429 3.678 20 5 GHBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1ccc2c(c1)CCCCC2=O ZINC000514973863 850540727 /nfs/dbraw/zinc/54/07/27/850540727.db2.gz GFBLJPMLAPCJTG-UHFFFAOYSA-N 0 1 391.387 3.541 20 5 GHBDMN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000439901878 850549078 /nfs/dbraw/zinc/54/90/78/850549078.db2.gz NZDCKMRBJLSMBK-INIZCTEOSA-N 0 1 388.424 3.545 20 5 GHBDMN Cc1cc(C)c([N+](=O)[O-])cc1NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C ZINC000766042152 862175831 /nfs/dbraw/zinc/17/58/31/862175831.db2.gz GGCHRRORCSNMTR-UHFFFAOYSA-N 0 1 399.812 3.882 20 5 GHBDMN CCOc1ccc([C@@H]2CCCN2C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)cc1 ZINC000028065133 851016901 /nfs/dbraw/zinc/01/69/01/851016901.db2.gz PKQKBONYIUVJPG-SFHVURJKSA-N 0 1 380.404 3.847 20 5 GHBDMN CCc1[nH]nc(C(=O)N(CC)[C@@H](C)Cc2ccccc2C(F)(F)F)c1[N+](=O)[O-] ZINC000435953519 851021048 /nfs/dbraw/zinc/02/10/48/851021048.db2.gz ONUPHYSSVZMITF-NSHDSACASA-N 0 1 398.385 3.992 20 5 GHBDMN CCN(C(=O)c1n[nH]c(C)c1[N+](=O)[O-])[C@H](C)Cc1ccccc1C(F)(F)F ZINC000435951180 851038016 /nfs/dbraw/zinc/03/80/16/851038016.db2.gz YSORXKIVYKJAIK-SNVBAGLBSA-N 0 1 384.358 3.738 20 5 GHBDMN CCOc1ccc(NC(=O)CN[C@H](c2ncccc2C)C(C)C)c([N+](=O)[O-])c1 ZINC000120776666 851136344 /nfs/dbraw/zinc/13/63/44/851136344.db2.gz LRHPWSFJFOXVQL-IBGZPJMESA-N 0 1 386.452 3.622 20 5 GHBDMN CN(C)C(=O)CNCc1ccc(Oc2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])c1 ZINC000604478654 862221719 /nfs/dbraw/zinc/22/17/19/862221719.db2.gz DOFBZNVFWLUAJB-UHFFFAOYSA-N 0 1 385.464 3.862 20 5 GHBDMN CCNC(=O)[C@H](C)NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000604478766 862221856 /nfs/dbraw/zinc/22/18/56/862221856.db2.gz LFAPVIUDQZOKAP-LBPRGKRZSA-N 0 1 377.828 3.655 20 5 GHBDMN CCCc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 ZINC000515619734 851258955 /nfs/dbraw/zinc/25/89/55/851258955.db2.gz LGQKLKRLOSCECN-UHFFFAOYSA-N 0 1 386.376 3.950 20 5 GHBDMN COc1cc([C@@H](C)NC(=O)c2cc(O)cc([N+](=O)[O-])c2)ccc1OCC(C)C ZINC000505475113 851500823 /nfs/dbraw/zinc/50/08/23/851500823.db2.gz YFGYPHODGKHUKT-CYBMUJFWSA-N 0 1 388.420 3.835 20 5 GHBDMN CCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@@H](C)Cc1ccc(OC)cc1 ZINC000436397150 851570526 /nfs/dbraw/zinc/57/05/26/851570526.db2.gz ZJXUFCJNRMHCKT-INIZCTEOSA-N 0 1 385.464 3.803 20 5 GHBDMN CC(C)N1CCCN(C(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)CC1 ZINC000436404650 851578117 /nfs/dbraw/zinc/57/81/17/851578117.db2.gz FRCSSLGTVNMOQA-UHFFFAOYSA-N 0 1 399.441 3.516 20 5 GHBDMN COc1cc(CNC2(c3ccc(F)cc3)CCOCC2)c([N+](=O)[O-])cc1F ZINC000184256099 851820244 /nfs/dbraw/zinc/82/02/44/851820244.db2.gz AVGSVKIIFAQFPJ-UHFFFAOYSA-N 0 1 378.375 3.677 20 5 GHBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000425553284 851917234 /nfs/dbraw/zinc/91/72/34/851917234.db2.gz MAIQMUVYKUZNMW-KSSFIOAISA-N 0 1 398.463 3.987 20 5 GHBDMN C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CCN1Cc1ccccc1 ZINC000383038538 852105280 /nfs/dbraw/zinc/10/52/80/852105280.db2.gz KKUNDVHCWAVXND-HNNXBMFYSA-N 0 1 387.867 3.985 20 5 GHBDMN O=C(CNCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)NCC(F)F ZINC000481826855 862334851 /nfs/dbraw/zinc/33/48/51/862334851.db2.gz WFDDBMZPPYYAHF-UHFFFAOYSA-N 0 1 399.781 3.511 20 5 GHBDMN O=C(Nc1ncc(C(F)(F)F)[nH]1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000506914966 852329267 /nfs/dbraw/zinc/32/92/67/852329267.db2.gz DRGVRDFLMRXFEU-UHFFFAOYSA-N 0 1 390.296 3.815 20 5 GHBDMN O=C(CN1C[C@H]2CCCC[C@@H]2C1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000426781763 852387701 /nfs/dbraw/zinc/38/77/01/852387701.db2.gz DNOXHRJVPZDQRF-HUUCEWRRSA-N 0 1 386.477 3.779 20 5 GHBDMN CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])c1 ZINC000436909240 852474346 /nfs/dbraw/zinc/47/43/46/852474346.db2.gz LTOPYSZHHYWQMU-UHFFFAOYSA-N 0 1 380.404 3.921 20 5 GHBDMN CCN(C(=O)c1ccc([O-])c([N+](=O)[O-])c1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000436953400 852542801 /nfs/dbraw/zinc/54/28/01/852542801.db2.gz PAJPOCTUHKFYMW-CRAIPNDOSA-N 0 1 383.448 3.598 20 5 GHBDMN Cc1ccc(-c2cc(C(=O)N3CCc4ccc([N+](=O)[O-])cc4C3)n[nH]2)c(C)c1 ZINC000489966970 852680489 /nfs/dbraw/zinc/68/04/89/852680489.db2.gz QHFKXHIKLDIDPS-UHFFFAOYSA-N 0 1 376.416 3.800 20 5 GHBDMN C[C@@H]1c2cccc(Br)c2CCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000507266391 852734968 /nfs/dbraw/zinc/73/49/68/852734968.db2.gz YZGLZXUGUDYJNL-SNVBAGLBSA-N 0 1 391.221 3.822 20 5 GHBDMN O=C(NCCc1nc2cc(Cl)ccc2s1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000507290490 852765129 /nfs/dbraw/zinc/76/51/29/852765129.db2.gz JROCIFPUPGJHNJ-UHFFFAOYSA-N 0 1 377.809 3.536 20 5 GHBDMN O=C(NCCc1nc(C2CCCCC2)cs1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000506360192 852840683 /nfs/dbraw/zinc/84/06/83/852840683.db2.gz BDNCIXCERREFCN-UHFFFAOYSA-N 0 1 375.450 3.777 20 5 GHBDMN Cc1ccc(NC(=O)[C@@H](c2ccccc2)N(C)[C@@H]2CCCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000426201692 853006417 /nfs/dbraw/zinc/00/64/17/853006417.db2.gz QDXKVLHYQSVFIB-HMXCVIKNSA-N 0 1 397.475 3.818 20 5 GHBDMN COc1cc([C@@H](C)N[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc(OC)c1OC ZINC000293832244 853231446 /nfs/dbraw/zinc/23/14/46/853231446.db2.gz SKQMDTCBBQUBAE-VXGBXAGGSA-N 0 1 375.425 3.615 20 5 GHBDMN C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2cc([O-])ccc2[N+](=O)[O-])cc1 ZINC000506477924 853250816 /nfs/dbraw/zinc/25/08/16/853250816.db2.gz PRUXBFLSUBUBNE-HNNXBMFYSA-N 0 1 383.448 3.605 20 5 GHBDMN CN1CCN(C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C2(CCCCC2)C1 ZINC000439261756 853481367 /nfs/dbraw/zinc/48/13/67/853481367.db2.gz UTPBAEXXIOARBF-UHFFFAOYSA-N 0 1 394.475 3.747 20 5 GHBDMN O=[N+]([O-])c1ccc(CN2CC[C@@](CO)(Cc3ccc(F)cc3)C2)c(Cl)c1 ZINC000519776245 853481420 /nfs/dbraw/zinc/48/14/20/853481420.db2.gz FGAYGLSCOAZPMB-LJQANCHMSA-N 0 1 378.831 3.814 20 5 GHBDMN CCOc1ccc([C@@H](C)NCc2cc3ccccc3n(C)c2=O)cc1[N+](=O)[O-] ZINC000426340329 853499819 /nfs/dbraw/zinc/49/98/19/853499819.db2.gz ZTGGKJXMGPHGOS-CQSZACIVSA-N 0 1 381.432 3.696 20 5 GHBDMN CCO[C@@H]1C[C@@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)[C@@H]1n1cccn1 ZINC000550327649 854207197 /nfs/dbraw/zinc/20/71/97/854207197.db2.gz ZTNDFXMSDBKNBL-AHRSYUTCSA-N 0 1 382.420 3.560 20 5 GHBDMN COc1ccccc1[C@@H](CNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)N1CCCC1 ZINC000571977560 854249055 /nfs/dbraw/zinc/24/90/55/854249055.db2.gz MYTYLISQSHWVPU-OXJNMPFZSA-N 0 1 397.475 3.660 20 5 GHBDMN CC(C)c1nc([C@@H]2CCCCN2c2ncc([N+](=O)[O-])cc2Br)n[nH]1 ZINC000589174147 854715793 /nfs/dbraw/zinc/71/57/93/854715793.db2.gz FKGRZANJMDTKBP-LBPRGKRZSA-N 0 1 395.261 3.725 20 5 GHBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@@H](CSc3ccccc3)C2)c1 ZINC000589503044 854911343 /nfs/dbraw/zinc/91/13/43/854911343.db2.gz LORPTYCIJZQQTF-OAHLLOKOSA-N 0 1 386.473 3.996 20 5 GHBDMN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN[C@@]2(CO)CCCc3ccccc32)c1 ZINC000590180352 855312238 /nfs/dbraw/zinc/31/22/38/855312238.db2.gz ZMWKLFCOIKBTTJ-GOSISDBHSA-N 0 1 380.366 3.927 20 5 GHBDMN Cc1onc(OC(F)F)c1NC(=O)c1cccc([N+](=O)[O-])c1Br ZINC001128098771 855519197 /nfs/dbraw/zinc/51/91/97/855519197.db2.gz ODIVFOYUFDSUBR-UHFFFAOYSA-N 0 1 392.112 3.507 20 5 GHBDMN COc1cc(N2CCCN(Cc3ccc(F)cc3)CC2)c([N+](=O)[O-])cc1F ZINC000301611837 855833761 /nfs/dbraw/zinc/83/37/61/855833761.db2.gz FDIYMNOJVIJWMF-UHFFFAOYSA-N 0 1 377.391 3.594 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2cc(-c3nc(COc4ccccc4F)no3)[nH]n2)cc1 ZINC000904728774 855971635 /nfs/dbraw/zinc/97/16/35/855971635.db2.gz NAVWANMRIXTGEG-UHFFFAOYSA-N 0 1 381.323 3.753 20 5 GHBDMN CCc1[nH]nc(C(=O)Nc2ccc3nc(-c4ccc(F)cc4)[nH]c3c2)c1[N+](=O)[O-] ZINC000171675196 856227026 /nfs/dbraw/zinc/22/70/26/856227026.db2.gz TVAGBRNKKSLWDJ-UHFFFAOYSA-N 0 1 394.366 3.815 20 5 GHBDMN CN(C)[C@@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000184828437 856404904 /nfs/dbraw/zinc/40/49/04/856404904.db2.gz ZWQCUFXBNOLBOY-KRWDZBQOSA-N 0 1 395.381 3.575 20 5 GHBDMN Cc1cc(N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000573805804 856491202 /nfs/dbraw/zinc/49/12/02/856491202.db2.gz PPGDEATYOTYBCU-INIZCTEOSA-N 0 1 383.448 3.702 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(C(=O)c2ccccc2)c1 ZINC000509616303 856492550 /nfs/dbraw/zinc/49/25/50/856492550.db2.gz WGSUHPJQFZLFDB-UHFFFAOYSA-N 0 1 396.424 3.935 20 5 GHBDMN CCc1nc(C2CCN(c3ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n3)CC2)n[nH]1 ZINC000485419035 856498407 /nfs/dbraw/zinc/49/84/07/856498407.db2.gz XBDUOAGKHQSNRT-UHFFFAOYSA-N 0 1 396.426 3.860 20 5 GHBDMN CCc1nnc(C2CCN(c3ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n3)CC2)[nH]1 ZINC000485419035 856498427 /nfs/dbraw/zinc/49/84/27/856498427.db2.gz XBDUOAGKHQSNRT-UHFFFAOYSA-N 0 1 396.426 3.860 20 5 GHBDMN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](c1cccs1)N(C)C ZINC000055086043 856560933 /nfs/dbraw/zinc/56/09/33/856560933.db2.gz XKWQJFBLRKSHAP-QGZVFWFLSA-N 0 1 390.509 3.879 20 5 GHBDMN CC(=O)Nc1cccc(CN(Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)c1 ZINC000592131306 856673728 /nfs/dbraw/zinc/67/37/28/856673728.db2.gz WZYYPHHPRCHGIT-MEMLXQNLSA-N 0 1 397.475 3.859 20 5 GHBDMN Cc1ccc2nc([C@H]3CCCN3C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)[nH]c2c1 ZINC000142291443 856716080 /nfs/dbraw/zinc/71/60/80/856716080.db2.gz ACDUCEJBJGSDBZ-QGZVFWFLSA-N 0 1 390.403 3.633 20 5 GHBDMN COc1cc(CNc2ccc(Oc3ccc(F)cc3)cn2)cc([N+](=O)[O-])c1O ZINC000466623803 862855632 /nfs/dbraw/zinc/85/56/32/862855632.db2.gz WQUAWIGMMZGYPU-UHFFFAOYSA-N 0 1 385.351 3.669 20 5 GHBDMN Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000428019324 856999983 /nfs/dbraw/zinc/99/99/83/856999983.db2.gz DBCMOTCMHWTOPB-ZDUSSCGKSA-N 0 1 389.839 3.519 20 5 GHBDMN C[C@H]1CC[C@@H](C(N)=O)CN1Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000159633932 862863749 /nfs/dbraw/zinc/86/37/49/862863749.db2.gz WUSDNTRUYURQBQ-DZGCQCFKSA-N 0 1 387.411 3.612 20 5 GHBDMN CC[C@@H](CNC(=O)c1cccc(SC)c1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000485751442 857045329 /nfs/dbraw/zinc/04/53/29/857045329.db2.gz UAIVZQGHTKHFPM-KRWDZBQOSA-N 0 1 399.516 3.883 20 5 GHBDMN CC[C@@H](CNC(=O)c1cccc(SC)c1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000485751442 857045339 /nfs/dbraw/zinc/04/53/39/857045339.db2.gz UAIVZQGHTKHFPM-KRWDZBQOSA-N 0 1 399.516 3.883 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1cc(F)ccc1F ZINC000438806071 857116183 /nfs/dbraw/zinc/11/61/83/857116183.db2.gz NJRCOGZBGDKXEF-UHFFFAOYSA-N 0 1 383.159 3.981 20 5 GHBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@H](c2ccccc2)C2(CO)CC=CC2)c1 ZINC000593036275 857191126 /nfs/dbraw/zinc/19/11/26/857191126.db2.gz WXHRUTYOYHPIMN-HXUWFJFHSA-N 0 1 396.443 3.541 20 5 GHBDMN CCOc1ccc([C@H](C)N[C@H](CC)C(=O)NCc2cccs2)cc1[N+](=O)[O-] ZINC000592397127 857335727 /nfs/dbraw/zinc/33/57/27/857335727.db2.gz RKUCSYNJXZMBAS-XJKSGUPXSA-N 0 1 391.493 3.801 20 5 GHBDMN COc1cccc2c1OC[C@H](NCc1csc(-c3cccc([N+](=O)[O-])c3)n1)C2 ZINC000113335039 857434723 /nfs/dbraw/zinc/43/47/23/857434723.db2.gz BHQBZWNPIIWQOA-OAHLLOKOSA-N 0 1 397.456 3.820 20 5 GHBDMN CC[C@@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1c1cc(C)c([N+](=O)[O-])cn1 ZINC000301764887 857591210 /nfs/dbraw/zinc/59/12/10/857591210.db2.gz CTRXEIKUBYXLNT-FOIQADDNSA-N 0 1 383.496 3.739 20 5 GHBDMN COc1ccc([C@@H]2CCCCCN2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000027374841 857944502 /nfs/dbraw/zinc/94/45/02/857944502.db2.gz JPMQGNYPVHZSEU-IBGZPJMESA-N 0 1 383.448 3.820 20 5 GHBDMN O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]Cc2nnc([C@H]3CCCO3)[n-]2)s1 ZINC000594509368 858205158 /nfs/dbraw/zinc/20/51/58/858205158.db2.gz DUCZZZJZXDMKEO-OAHLLOKOSA-N 0 1 385.449 3.583 20 5 GHBDMN Cc1cnc(OC2CCN(Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)CC2)nc1 ZINC000594610660 858240525 /nfs/dbraw/zinc/24/05/25/858240525.db2.gz ADGPOJZKHPUSRO-UHFFFAOYSA-N 0 1 394.431 3.997 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H](Cc1ccccc1)[C@H](O)C(F)(F)F ZINC000595024059 858354839 /nfs/dbraw/zinc/35/48/39/858354839.db2.gz VFXCNBOAXDOIRS-XZOAIXRZSA-N 0 1 398.381 3.789 20 5 GHBDMN O=C([O-])Cc1ccc(NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000592969784 858454133 /nfs/dbraw/zinc/45/41/33/858454133.db2.gz FNYDUCQGIAFRNJ-SFHVURJKSA-N 0 1 383.448 3.546 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](C(=O)[O-])[C@@H](c2ccc(Cl)cc2)C1 ZINC000595279693 858459457 /nfs/dbraw/zinc/45/94/57/858459457.db2.gz XFYITEJCSOOZGD-SJORKVTESA-N 0 1 390.823 3.557 20 5 GHBDMN COc1cc(C[N@H+]2C[C@H](C(=O)[O-])[C@@H](c3ccc(Cl)cc3)C2)ccc1[N+](=O)[O-] ZINC000595278999 858459638 /nfs/dbraw/zinc/45/96/38/858459638.db2.gz AFHJWIYAULGYTO-CVEARBPZSA-N 0 1 390.823 3.557 20 5 GHBDMN CCCc1[nH]nc(C(=O)Nc2nnc(-c3cc(C)cc(C)c3)s2)c1[N+](=O)[O-] ZINC000115722055 858636927 /nfs/dbraw/zinc/63/69/27/858636927.db2.gz SXILVPKZVVMNJU-UHFFFAOYSA-N 0 1 386.437 3.658 20 5 GHBDMN COc1cccc([C@@]2(C)CCN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)c1 ZINC000595762949 858662182 /nfs/dbraw/zinc/66/21/82/858662182.db2.gz CZMXYHUSEMHGHQ-NRFANRHFSA-N 0 1 384.432 3.634 20 5 GHBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@H](N(C)c2ccccc2)C1 ZINC000595829800 858702309 /nfs/dbraw/zinc/70/23/09/858702309.db2.gz YXDOCFZISPTKIZ-BEFAXECRSA-N 0 1 393.447 3.917 20 5 GHBDMN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000184918439 858703694 /nfs/dbraw/zinc/70/36/94/858703694.db2.gz HASLWNOCLGEQAV-WBVHZDCISA-N 0 1 397.479 3.565 20 5 GHBDMN COC(=O)c1cnc([C@@H]2CCCN([C@H](C)c3cccc([N+](=O)[O-])c3)C2)s1 ZINC000595913240 858717684 /nfs/dbraw/zinc/71/76/84/858717684.db2.gz FQQDCIFPGJYCJE-TZMCWYRMSA-N 0 1 375.450 3.779 20 5 GHBDMN O=C1[C@@H](NCc2cccc([N+](=O)[O-])c2)CCN1c1ccccc1C(F)(F)F ZINC000184996503 858815214 /nfs/dbraw/zinc/81/52/14/858815214.db2.gz VZFYGYLNZYLXTR-HNNXBMFYSA-N 0 1 379.338 3.509 20 5 GHBDMN CC[C@@H](Cc1ccccc1)N(CC)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000543208391 858891481 /nfs/dbraw/zinc/89/14/81/858891481.db2.gz BAYUIRFGZSQXPB-SFHVURJKSA-N 0 1 390.505 3.712 20 5 GHBDMN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Nc2ccncc2)cc1 ZINC000482909019 858968682 /nfs/dbraw/zinc/96/86/82/858968682.db2.gz AIQMEWKCELEIEJ-UHFFFAOYSA-N 0 1 396.834 3.781 20 5 GHBDMN COc1ccc(-c2ccc(C)c(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c2)cn1 ZINC000509386502 859271752 /nfs/dbraw/zinc/27/17/52/859271752.db2.gz LLSBHYKGVBHLRQ-UHFFFAOYSA-N 0 1 399.428 3.775 20 5 GHBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C(F)(F)F)nc1C ZINC000509391167 859286085 /nfs/dbraw/zinc/28/60/85/859286085.db2.gz KFZRVSIGPFVMOX-UHFFFAOYSA-N 0 1 389.355 3.680 20 5 GHBDMN Cc1ccc(NC(=O)NC[C@H]2CCCN(Cc3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000069016435 859295420 /nfs/dbraw/zinc/29/54/20/859295420.db2.gz WLUAHUBTXWRXLC-GOSISDBHSA-N 0 1 382.464 3.937 20 5 GHBDMN Cc1cc([N+](=O)[O-])cc(C(=O)Nc2cccc(CN3CCSCC3)c2)c1F ZINC000764462436 859457902 /nfs/dbraw/zinc/45/79/02/859457902.db2.gz LTXPCLCDDJBTGU-UHFFFAOYSA-N 0 1 389.452 3.843 20 5 GHBDMN COc1cc(CN2CCC([C@@H]3CCCCCN3C(C)=O)CC2)ccc1[N+](=O)[O-] ZINC000611515761 859796845 /nfs/dbraw/zinc/79/68/45/859796845.db2.gz UYTSJIDYGDRUTP-IBGZPJMESA-N 0 1 389.496 3.607 20 5 GHBDMN NC(=O)C[C@@H]1CCCCN1Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000092588881 860082219 /nfs/dbraw/zinc/08/22/19/860082219.db2.gz BOVLVMATCHNJBY-INIZCTEOSA-N 0 1 387.411 3.756 20 5 GHBDMN CC1(C)CO[C@@H](c2cccc(F)c2)CN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000598222798 860166897 /nfs/dbraw/zinc/16/68/97/860166897.db2.gz BVFWBHGZEUNCCF-QGZVFWFLSA-N 0 1 398.394 3.603 20 5 GHBDMN Cc1cc([C@@H]2CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)c(O)cc1Cl ZINC000598328800 860236954 /nfs/dbraw/zinc/23/69/54/860236954.db2.gz HPMSOXQEFAUVIP-LLVKDONJSA-N 0 1 376.796 3.598 20 5 GHBDMN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(-c2nccs2)cc1 ZINC000603559442 860810316 /nfs/dbraw/zinc/81/03/16/860810316.db2.gz MSTDGVYSDNTNLI-UHFFFAOYSA-N 0 1 375.431 3.828 20 5 GHBDMN CCC1(N2CCOCC2)CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 ZINC000599183052 860886128 /nfs/dbraw/zinc/88/61/28/860886128.db2.gz DSXFYNJHGVVQHM-UHFFFAOYSA-N 0 1 396.491 3.738 20 5 GHBDMN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](NC[C@@H]1CCCO1)c1ccccc1 ZINC000021818388 860947177 /nfs/dbraw/zinc/94/71/77/860947177.db2.gz NROLADMKVGYSAH-MAUKXSAKSA-N 0 1 389.839 3.697 20 5 GHBDMN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc(C[NH+]2CCCCC2)c1 ZINC000444032935 863181560 /nfs/dbraw/zinc/18/15/60/863181560.db2.gz LVLVFNAKFZXBAH-UHFFFAOYSA-N 0 1 389.477 3.690 20 5 GHBDMN C[C@@H](N[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1COc2ccccc21 ZINC000248628158 863187206 /nfs/dbraw/zinc/18/72/06/863187206.db2.gz VPCBJAPGZJGVLQ-IIYDPXPESA-N 0 1 380.404 3.860 20 5 GHBDMN O=C(NCc1nc2ccc(F)cc2[nH]1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444119016 863468853 /nfs/dbraw/zinc/46/88/53/863468853.db2.gz BDUIFRIHSCEOFM-UHFFFAOYSA-N 0 1 386.386 3.627 20 5 GHBDMN O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](Cc3ccc(OCC(F)(F)F)nn3)C2)cc1 ZINC000594005229 863717970 /nfs/dbraw/zinc/71/79/70/863717970.db2.gz FFIYDECUHVDWHX-CQSZACIVSA-N 0 1 396.369 3.706 20 5 GHBDMN O=[N+]([O-])c1ccc([C@@H]2CCCN(Cc3ccc(OCC(F)(F)F)nn3)C2)cc1 ZINC000594005229 863717976 /nfs/dbraw/zinc/71/79/76/863717976.db2.gz FFIYDECUHVDWHX-CQSZACIVSA-N 0 1 396.369 3.706 20 5 GHBDMN CC[C@@H](N[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1ccccc1F ZINC000594019579 863758488 /nfs/dbraw/zinc/75/84/88/863758488.db2.gz NVHLKGFJTGZOIE-BLLLJJGKSA-N 0 1 375.400 3.810 20 5 GHBDMN COc1cccc(C(=O)N2CCN(C3CCC(C(C)C)CC3)CC2)c1[N+](=O)[O-] ZINC000444303747 863856500 /nfs/dbraw/zinc/85/65/00/863856500.db2.gz DXNLLIFJAQHDMR-UHFFFAOYSA-N 0 1 389.496 3.576 20 5 GHBDMN CC(C)OC(=O)C[C@H](NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C(C)C ZINC000594042893 863878858 /nfs/dbraw/zinc/87/88/58/863878858.db2.gz HYZCBCQTZJXITG-KRWDZBQOSA-N 0 1 375.425 3.706 20 5 GHBDMN Cc1cccc2nc(CNC(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)[nH]c21 ZINC000494430024 881709208 /nfs/dbraw/zinc/70/92/08/881709208.db2.gz OLHKCEQCJBVRHC-UHFFFAOYSA-N 0 1 378.310 3.728 20 5 GHBDMN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000475306952 864746497 /nfs/dbraw/zinc/74/64/97/864746497.db2.gz WUCMFCKRTWNLRV-LPHOPBHVSA-N 0 1 399.516 3.808 20 5 GHBDMN CCC(CC)c1cc(CNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])on1 ZINC000173494735 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O=[N+]([O-])c1ccc2[nH]c(CN3CCC[C@@H]3c3n[nH]c(-c4ccccc4)n3)nc2c1 ZINC000444663885 867035654 /nfs/dbraw/zinc/03/56/54/867035654.db2.gz PTFHOQTZKYRRHJ-QGZVFWFLSA-N 0 1 389.419 3.593 20 5 GHBDMN O=[N+]([O-])c1ccc2[nH]c(CN3CCC[C@@H]3c3nc(-c4ccccc4)n[nH]3)nc2c1 ZINC000444663885 867035663 /nfs/dbraw/zinc/03/56/63/867035663.db2.gz PTFHOQTZKYRRHJ-QGZVFWFLSA-N 0 1 389.419 3.593 20 5 GHBDMN C[C@@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(NC(=O)C2CC2)cc1 ZINC000444672473 867045951 /nfs/dbraw/zinc/04/59/51/867045951.db2.gz JZAOIMSVPKAEHV-GFCCVEGCSA-N 0 1 379.420 3.670 20 5 GHBDMN O=[N+]([O-])c1ccc2[nH]c(CN[C@@H]3CCO[C@@H]3c3ccc(Cl)c(F)c3)nc2c1 ZINC000444712378 867105534 /nfs/dbraw/zinc/10/55/34/867105534.db2.gz ZBZNQJUJHAUNDP-CRAIPNDOSA-N 0 1 390.802 3.883 20 5 GHBDMN O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccc3ncsc3c2)c2cccnc21 ZINC000479170719 867276220 /nfs/dbraw/zinc/27/62/20/867276220.db2.gz WZLABJHRVFPGTL-UHFFFAOYSA-N 0 1 386.414 3.554 20 5 GHBDMN O=C(NC[C@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1)OCc1ccccc1 ZINC000793293632 882071967 /nfs/dbraw/zinc/07/19/67/882071967.db2.gz BVDDMHBIIVKSEH-GOSISDBHSA-N 0 1 383.448 3.733 20 5 GHBDMN Cc1ccc(CCN(C[C@@H]2CCCO2)Cn2ncc3ccc([N+](=O)[O-])cc32)cc1 ZINC000743388445 868146177 /nfs/dbraw/zinc/14/61/77/868146177.db2.gz OQVISQHJDOTDBE-NRFANRHFSA-N 0 1 394.475 3.934 20 5 GHBDMN COc1ccc(-c2cc(-c3nc(-c4ccc([N+](=O)[O-])s4)no3)[nH]n2)cc1OC ZINC000445478774 868503900 /nfs/dbraw/zinc/50/39/00/868503900.db2.gz FWRKVLJUJRDNBV-UHFFFAOYSA-N 0 1 399.388 3.781 20 5 GHBDMN CCN(Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)[C@@H]1CCNC1=O ZINC000442961975 869163783 /nfs/dbraw/zinc/16/37/83/869163783.db2.gz JUOITKIJYTWJBT-MRXNPFEDSA-N 0 1 389.839 3.751 20 5 GHBDMN O=C(CCN(Cc1ccccc1[N+](=O)[O-])C1CC1)N1CCCc2ccccc21 ZINC001192389608 870340589 /nfs/dbraw/zinc/34/05/89/870340589.db2.gz HFGLYXJRVXJFEO-UHFFFAOYSA-N 0 1 379.460 3.929 20 5 GHBDMN C[C@@H](NCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])c1ccc(-n2cccn2)cc1 ZINC000775528910 870371036 /nfs/dbraw/zinc/37/10/36/870371036.db2.gz NKPKOPXETGBVJQ-CYBMUJFWSA-N 0 1 399.838 3.723 20 5 GHBDMN CC[C@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccc(Cl)s1 ZINC000544449493 870559417 /nfs/dbraw/zinc/55/94/17/870559417.db2.gz OLKDCZMVBPIRGQ-ZDUSSCGKSA-N 0 1 379.869 3.940 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCCC[C@H]1CCCCO1 ZINC000546890698 870725532 /nfs/dbraw/zinc/72/55/32/870725532.db2.gz XOCUJUDCCWZKTR-LLVKDONJSA-N 0 1 397.280 3.529 20 5 GHBDMN CC(C)Oc1cccc([C@@H](C)N[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000540327662 871029788 /nfs/dbraw/zinc/02/97/88/871029788.db2.gz SGFQULMGAPWZKX-QRWLVFNGSA-N 0 1 383.448 3.838 20 5 GHBDMN CCOc1ccc([C@@H](NCc2c([N+](=O)[O-])ncn2C)C(C)C)cc1OCC ZINC000540340922 871064657 /nfs/dbraw/zinc/06/46/57/871064657.db2.gz BTDZCTOHBPNZNW-SFHVURJKSA-N 0 1 376.457 3.613 20 5 GHBDMN CCSc1ccc([C@@H](C)NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000540405042 871191431 /nfs/dbraw/zinc/19/14/31/871191431.db2.gz WDEFTWRGSDNTAS-CQSZACIVSA-N 0 1 385.489 3.947 20 5 GHBDMN C[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)c1cc2cnccc2o1 ZINC001194027359 871441292 /nfs/dbraw/zinc/44/12/92/871441292.db2.gz GGCGFPPEUWMSSL-QMMMGPOBSA-N 0 1 399.787 3.568 20 5 GHBDMN CN(C)[C@H](CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])c1cccs1 ZINC000181747035 871443530 /nfs/dbraw/zinc/44/35/30/871443530.db2.gz NHRBKYZRCNWDSZ-CYBMUJFWSA-N 0 1 399.925 3.821 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@H](C)c1cccc(F)c1F ZINC000182001597 871715239 /nfs/dbraw/zinc/71/52/39/871715239.db2.gz QIDBNROOOAAQKX-NSHDSACASA-N 0 1 379.363 3.561 20 5 GHBDMN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2NCc2nccn2CCc2ccccc2)n1 ZINC000447582053 871881115 /nfs/dbraw/zinc/88/11/15/871881115.db2.gz XMUQFBXSZKBDSV-RBUKOAKNSA-N 0 1 394.479 3.504 20 5 GHBDMN C[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccc(Br)s1 ZINC000443401098 872083052 /nfs/dbraw/zinc/08/30/52/872083052.db2.gz YWDBEZFOZCHWBU-SSDOTTSWSA-N 0 1 395.238 3.786 20 5 GHBDMN COC(=O)CCC1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000093341406 872101853 /nfs/dbraw/zinc/10/18/53/872101853.db2.gz ABASEXGOBFSGPJ-UHFFFAOYSA-N 0 1 389.477 3.884 20 5 GHBDMN CN(CC(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1)c1ccccc1[N+](=O)[O-] ZINC000463627005 872212903 /nfs/dbraw/zinc/21/29/03/872212903.db2.gz IQYIJZKFSGJXCL-UHFFFAOYSA-N 0 1 379.420 3.814 20 5 GHBDMN C[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)c(Cl)c1 ZINC000182406084 872307688 /nfs/dbraw/zinc/30/76/88/872307688.db2.gz BLDHOCPIQDRKJB-LLVKDONJSA-N 0 1 386.832 3.512 20 5 GHBDMN CCOc1ccc(NC(=O)CN2CCC[C@H]2CC2CCCC2)c([N+](=O)[O-])c1 ZINC001195637638 872524796 /nfs/dbraw/zinc/52/47/96/872524796.db2.gz ATLKPVJGVUEFJY-INIZCTEOSA-N 0 1 375.469 3.977 20 5 GHBDMN CCc1[nH]nc(C(=O)N(Cc2cccs2)C2Cc3ccccc3C2)c1[N+](=O)[O-] ZINC000552394258 872557540 /nfs/dbraw/zinc/55/75/40/872557540.db2.gz JJMIZWHXDMQHDI-UHFFFAOYSA-N 0 1 396.472 3.752 20 5 GHBDMN O=C(CN(C[C@H]1CCCO1)C1CCCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000152968418 872740644 /nfs/dbraw/zinc/74/06/44/872740644.db2.gz GIAZCLCOFLGIOS-OAHLLOKOSA-N 0 1 381.860 3.610 20 5 GHBDMN O=[N+]([O-])c1ccc(CNCCc2nc(-c3ccc(Cl)cc3)no2)c(F)c1 ZINC000478257763 872773078 /nfs/dbraw/zinc/77/30/78/872773078.db2.gz RDWNNVSRAZBRAD-UHFFFAOYSA-N 0 1 376.775 3.770 20 5 GHBDMN CCc1nsc(N2CCC[N@H+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)n1 ZINC000182818898 872812211 /nfs/dbraw/zinc/81/22/11/872812211.db2.gz BLYPOWSRMCWGDG-AWEZNQCLSA-N 0 1 375.498 3.590 20 5 GHBDMN CCc1nsc(N2CCCN([C@@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)n1 ZINC000182818898 872812226 /nfs/dbraw/zinc/81/22/26/872812226.db2.gz BLYPOWSRMCWGDG-AWEZNQCLSA-N 0 1 375.498 3.590 20 5 GHBDMN Cc1c(F)cccc1S(=O)(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000541070006 872879105 /nfs/dbraw/zinc/87/91/05/872879105.db2.gz APJUHSPWKCLJLA-UHFFFAOYSA-N 0 1 378.303 3.862 20 5 GHBDMN COc1ccc(C[C@@H](C)CN(C)Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)cc1 ZINC000121441872 873153587 /nfs/dbraw/zinc/15/35/87/873153587.db2.gz HXWCAGVPTAJVGD-MRXNPFEDSA-N 0 1 395.463 3.630 20 5 GHBDMN O=[N+]([O-])c1ccccc1OCCN1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858015792 882727358 /nfs/dbraw/zinc/72/73/58/882727358.db2.gz CGVRCSYZKYFIIX-SFHVURJKSA-N 0 1 383.448 3.789 20 5 GHBDMN Cc1cc(NC(=O)CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)n(-c2ccccc2F)n1 ZINC001197659806 873952306 /nfs/dbraw/zinc/95/23/06/873952306.db2.gz KOAHQFYSSTYXQL-AWEZNQCLSA-N 0 1 397.410 3.517 20 5 GHBDMN C[C@](CO)(Cc1ccccc1F)NCc1ccc([N+](=O)[O-])cc1Br ZINC001198219577 874279690 /nfs/dbraw/zinc/27/96/90/874279690.db2.gz QTEJADKKMKTHHZ-QGZVFWFLSA-N 0 1 397.244 3.580 20 5 GHBDMN CC(C)N(Cc1cc(Cl)ccc1[N+](=O)[O-])C[C@@H](O)COc1ccccc1 ZINC000770047648 874425044 /nfs/dbraw/zinc/42/50/44/874425044.db2.gz ZDTXXWFAULKSBN-QGZVFWFLSA-N 0 1 378.856 3.899 20 5 GHBDMN COc1cc(N[C@@H]2CCCN(Cc3ccc(C)c([N+](=O)[O-])c3)C2)cc(OC)c1 ZINC000537650448 882836022 /nfs/dbraw/zinc/83/60/22/882836022.db2.gz FLGMUCBUQYTABU-QGZVFWFLSA-N 0 1 385.464 3.997 20 5 GHBDMN Cc1nc(COC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)n[nH]1 ZINC000770646228 874822901 /nfs/dbraw/zinc/82/29/01/874822901.db2.gz BPUBSGXRSLXBFT-UHFFFAOYSA-N 0 1 388.767 3.824 20 5 GHBDMN COc1cc(CN2C[C@H](C3CC3)[C@H]2C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000449545451 875011094 /nfs/dbraw/zinc/01/10/94/875011094.db2.gz YTGREWKOIFHKCM-AUUYWEPGSA-N 0 1 382.407 3.868 20 5 GHBDMN COc1cccc(-c2nc(C)c(C(=O)OCCOc3ccccc3[N+](=O)[O-])[nH]2)c1 ZINC000772101670 875680269 /nfs/dbraw/zinc/68/02/69/875680269.db2.gz VVAAEJKXRNDMPF-UHFFFAOYSA-N 0 1 397.387 3.538 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)ccc1CCNCc1ncc(Br)s1 ZINC001201692437 875836165 /nfs/dbraw/zinc/83/61/65/875836165.db2.gz AEYHVNFZHNKEMN-UHFFFAOYSA-N 0 1 376.663 3.800 20 5 GHBDMN CC(C)c1ccc(CNCc2ccc(N3CCCNC3=O)cc2)cc1[N+](=O)[O-] ZINC000850414081 876893637 /nfs/dbraw/zinc/89/36/37/876893637.db2.gz UQJNAYCXIMBIFK-UHFFFAOYSA-N 0 1 382.464 3.928 20 5 GHBDMN CCN(CC)C(=O)[C@H](NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000477224426 877235759 /nfs/dbraw/zinc/23/57/59/877235759.db2.gz SMLKWGVKFNMEEN-LJQANCHMSA-N 0 1 389.883 3.990 20 5 GHBDMN CCC[C@H](C)NC(=O)[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])c(OCC)c2)C1 ZINC000492695982 877362775 /nfs/dbraw/zinc/36/27/75/877362775.db2.gz LJNWTFHVWHKDBO-DOTOQJQBSA-N 0 1 377.485 3.510 20 5 GHBDMN CCN(C(=O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 ZINC000451102111 877393589 /nfs/dbraw/zinc/39/35/89/877393589.db2.gz HOIWZSYIFDSKOC-ZDUSSCGKSA-N 0 1 384.461 3.908 20 5 GHBDMN O=C(Nc1nc2ccc(F)cc2[nH]1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000787686735 877556804 /nfs/dbraw/zinc/55/68/04/877556804.db2.gz QTVKYUXLYLGNRC-UHFFFAOYSA-N 0 1 397.135 3.764 20 5 GHBDMN CN(C[C@@H]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC000179449312 877565373 /nfs/dbraw/zinc/56/53/73/877565373.db2.gz VOQXEQCVTWAYIO-DYLHUKMJSA-N 0 1 375.469 3.797 20 5 GHBDMN CCOc1ccc(NC(=O)CNC2(c3cccc(Cl)c3)CC2)c([N+](=O)[O-])c1 ZINC000179677327 877825344 /nfs/dbraw/zinc/82/53/44/877825344.db2.gz SOLCTLAOOWOOFT-UHFFFAOYSA-N 0 1 389.839 3.864 20 5 GHBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000851709318 877873351 /nfs/dbraw/zinc/87/33/51/877873351.db2.gz WVERSYXWGQDFHF-HNNXBMFYSA-N 0 1 385.376 3.581 20 5 GHBDMN CN(C)[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)c1ccc(Cl)cc1 ZINC000530590780 878132373 /nfs/dbraw/zinc/13/23/73/878132373.db2.gz ZBJYDWLQDFKLDB-KRWDZBQOSA-N 0 1 396.274 3.863 20 5 GHBDMN CC(C)(C)OC(=O)[C@@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)Cc2ccccc21 ZINC000852319138 878236177 /nfs/dbraw/zinc/23/61/77/878236177.db2.gz ZBOHLGUOIQOQHX-UXHICEINSA-N 0 1 398.459 3.569 20 5 GHBDMN C[C@H](NCc1cc(Cl)ccc1N1CCOCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788817158 878354691 /nfs/dbraw/zinc/35/46/91/878354691.db2.gz XCELVXAYBXAEHH-ZDUSSCGKSA-N 0 1 390.871 3.518 20 5 GHBDMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000537882768 878452545 /nfs/dbraw/zinc/45/25/45/878452545.db2.gz XRGCOCMVIQWMPL-UHFFFAOYSA-N 0 1 387.346 3.999 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451855488 878569946 /nfs/dbraw/zinc/56/99/46/878569946.db2.gz OWOXBAGKDRULEH-IBGZPJMESA-N 0 1 385.420 3.752 20 5 GHBDMN COc1ccc(NC(=O)[C@H](C)N[C@H](C)c2ccc3c(c2)CCCO3)c([N+](=O)[O-])c1 ZINC000852783135 878598956 /nfs/dbraw/zinc/59/89/56/878598956.db2.gz WYBHVDZPAORUPK-KGLIPLIRSA-N 0 1 399.447 3.606 20 5 GHBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H](C)c1cccc(OC(F)F)c1 ZINC000538120701 878843290 /nfs/dbraw/zinc/84/32/90/878843290.db2.gz ILZKHIYKICVONM-GFCCVEGCSA-N 0 1 379.363 3.794 20 5 GHBDMN C[C@H](C(=O)O[C@@H](CN(C)C)c1cc(F)c(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000853212136 878893690 /nfs/dbraw/zinc/89/36/90/878893690.db2.gz AAQPFYFHODAYPN-GTNSWQLSSA-N 0 1 396.365 3.962 20 5 GHBDMN C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1)c1nnc[nH]1 ZINC000853226348 878908019 /nfs/dbraw/zinc/90/80/19/878908019.db2.gz VUDXQFHXMPUVDG-LLVKDONJSA-N 0 1 376.438 3.913 20 5 GHBDMN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1CCCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000597603855 879158376 /nfs/dbraw/zinc/15/83/76/879158376.db2.gz FTTCFEGKZPQSHI-NSISKUIASA-N 0 1 398.463 3.531 20 5 GHBDMN COc1cccc2c1CCN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C2 ZINC000180782826 879313452 /nfs/dbraw/zinc/31/34/52/879313452.db2.gz HUUKKJWMLAZPAC-UHFFFAOYSA-N 0 1 378.432 3.562 20 5 GHBDMN O=C(N[C@H]1CCc2nc[nH]c2C1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000493440298 879436823 /nfs/dbraw/zinc/43/68/23/879436823.db2.gz SOUOUDUXXCUTSJ-AWEZNQCLSA-N 0 1 394.456 3.756 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N(Cc2ccccc2)[C@@H]2COC(C)(C)C2)c1[N+](=O)[O-] ZINC000597935080 879545817 /nfs/dbraw/zinc/54/58/17/879545817.db2.gz QJRROXUIDXOYBE-HNNXBMFYSA-N 0 1 386.452 3.651 20 5 GHBDMN Cc1c([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(Cl)cc2)c(C)c1[N+](=O)[O-] ZINC000790382265 879654371 /nfs/dbraw/zinc/65/43/71/879654371.db2.gz REXJLDUBEMQDAC-UHFFFAOYSA-N 0 1 385.785 3.574 20 5 GHBDMN CC(C)c1nc2c([nH]1)CC[C@H](C(=O)N1CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C1)C2 ZINC000452861691 880162681 /nfs/dbraw/zinc/16/26/81/880162681.db2.gz UFKRFZQVTVTUGJ-DLBZAZTESA-N 0 1 396.491 3.952 20 5 GHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC(c2ccc(F)c(F)c2)CC1 ZINC000609182830 880276308 /nfs/dbraw/zinc/27/63/08/880276308.db2.gz CDDDEFXKAZHMEH-UHFFFAOYSA-N 0 1 386.358 3.769 20 5 GHBDMN C[C@@H]1C[C@H](Nc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000520234073 880409262 /nfs/dbraw/zinc/40/92/62/880409262.db2.gz OCAZMVDEGRJYAP-CRAIPNDOSA-N 0 1 383.448 3.687 20 5 GHBDMN COc1cccc([C@@H](O)CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000113341052 880517995 /nfs/dbraw/zinc/51/79/95/880517995.db2.gz TXTFNJIXHZPTQV-SFHVURJKSA-N 0 1 385.445 3.550 20 5 GHBDMN C[C@H]1CN(Cc2ccc(-c3nc(-c4ccc([N+](=O)[O-])o4)no3)cc2)C[C@H](C)O1 ZINC000453239325 880668783 /nfs/dbraw/zinc/66/87/83/880668783.db2.gz BDQJXGJPOIJUET-STQMWFEESA-N 0 1 384.392 3.514 20 5 GHBDMN CCOc1ccc([C@H](C)N2CCC(OCCOC(C)C)CC2)cc1[N+](=O)[O-] ZINC000453347830 880821651 /nfs/dbraw/zinc/82/16/51/880821651.db2.gz GINFOEPZHIQXLG-INIZCTEOSA-N 0 1 380.485 3.961 20 5 GHBDMN Cc1n[n-]c(=[NH+]Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)n1C1CC1 ZINC000551090045 883270433 /nfs/dbraw/zinc/27/04/33/883270433.db2.gz LUZOFBROSYGZIG-UHFFFAOYSA-N 0 1 378.436 3.632 20 5 GHBDMN C[C@H]1SCCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[C@@H]1c1ccccc1 ZINC000609822576 883697769 /nfs/dbraw/zinc/69/77/69/883697769.db2.gz KQIKQZWFDYQXEF-XIKOKIGWSA-N 0 1 382.445 3.790 20 5 GHBDMN C[C@H](NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000542610659 884166171 /nfs/dbraw/zinc/16/61/71/884166171.db2.gz KWMPWHRCZPMSMP-QHRIQVFBSA-N 0 1 380.404 3.688 20 5 GHBDMN CCN(CCNC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C)CCC(F)(F)F ZINC000494917971 884181005 /nfs/dbraw/zinc/18/10/05/884181005.db2.gz ANSDZEBAPDYEMB-UHFFFAOYSA-N 0 1 376.379 3.607 20 5 GHBDMN Cc1c(NC(=O)c2ccc3cncn3c2)cc(Br)cc1[N+](=O)[O-] ZINC000556439013 884925151 /nfs/dbraw/zinc/92/51/51/884925151.db2.gz XZROOWHSVCVAAD-UHFFFAOYSA-N 0 1 375.182 3.566 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000153397000 885060860 /nfs/dbraw/zinc/06/08/60/885060860.db2.gz AUCIDVQXFOBZJK-MGPUTAFESA-N 0 1 383.448 3.872 20 5 GHBDMN CCOc1ccc2c(c1)c(=N)c1ccc(N)cc1n2C(=O)[C@](C)(O)CC(C)C ZINC001183966478 912929438 /nfs/dbraw/zinc/92/94/38/912929438.db2.gz AXJKAZZQVZVWBY-JOCHJYFZSA-N 0 1 381.476 3.692 20 5 GHBDMN CC(C)[C@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC001131028371 885644337 /nfs/dbraw/zinc/64/43/37/885644337.db2.gz XBICGVCVFQDHDP-OAQYLSRUSA-N 0 1 381.476 3.506 20 5 GHBDMN CC(C)[C@@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC001131028370 885645060 /nfs/dbraw/zinc/64/50/60/885645060.db2.gz XBICGVCVFQDHDP-NRFANRHFSA-N 0 1 381.476 3.506 20 5 GHBDMN CCc1[nH]nc(C(=O)N(CC)Cc2cccc(-c3ccncc3)c2)c1[N+](=O)[O-] ZINC000487918570 885914844 /nfs/dbraw/zinc/91/48/44/885914844.db2.gz SPQZKMQHSUMHRT-UHFFFAOYSA-N 0 1 379.420 3.605 20 5 GHBDMN COC(=O)C[C@H]1CSCCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000537616069 886654500 /nfs/dbraw/zinc/65/45/00/886654500.db2.gz UYFKGSGQGSHTQG-HNNXBMFYSA-N 0 1 392.502 3.804 20 5 GHBDMN Cc1ccc(NC(=O)NC[C@H]2CCCN(Cc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000532682378 887720643 /nfs/dbraw/zinc/72/06/43/887720643.db2.gz JTSRXBSCUHJNCF-GOSISDBHSA-N 0 1 382.464 3.937 20 5 GHBDMN O=C(NCCNCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1ccco1 ZINC000237815646 887799846 /nfs/dbraw/zinc/79/98/46/887799846.db2.gz SXYOXDWDSBAQNB-UHFFFAOYSA-N 0 1 389.795 3.621 20 5 GHBDMN C[C@@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(N2CCCCC2=O)cc1 ZINC000810129618 888196335 /nfs/dbraw/zinc/19/63/35/888196335.db2.gz WAJPDOTYSJKTOQ-CQSZACIVSA-N 0 1 393.447 3.839 20 5 GHBDMN O=[N+]([O-])c1cccc([C@@H](NC[C@H]2CC3(CO2)CCOCC3)c2ccccc2)c1 ZINC000866532221 888921228 /nfs/dbraw/zinc/92/12/28/888921228.db2.gz LMBYOMJXNYVMJK-RTWAWAEBSA-N 0 1 382.460 3.860 20 5 GHBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC[C@@H]2C[C@@H](O)c2cccs2)c1 ZINC000811467336 889627061 /nfs/dbraw/zinc/62/70/61/889627061.db2.gz KJZBGYJANVPJHT-NVXWUHKLSA-N 0 1 390.461 3.531 20 5 GHBDMN CN(Cc1ccccc1Oc1ccc(F)c(Cl)c1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001132991741 889962275 /nfs/dbraw/zinc/96/22/75/889962275.db2.gz UYQKWQRGBLFLIK-CZUORRHYSA-N 0 1 378.787 3.895 20 5 GHBDMN COc1ccc(NC(=O)[C@H](C)N2C[C@@H](c3ccccc3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000533297969 890238319 /nfs/dbraw/zinc/23/83/19/890238319.db2.gz RHASGYKTIKNLMQ-VYDXJSESSA-N 0 1 383.448 3.808 20 5 GHBDMN CSc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1ccc(Cn2cncn2)cc1 ZINC000872021406 891120744 /nfs/dbraw/zinc/12/07/44/891120744.db2.gz QJAZFQXCBWOQON-AWEZNQCLSA-N 0 1 383.477 3.807 20 5 GHBDMN CN(C)Cc1ccc(NC(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)cc1F ZINC001137059439 891262792 /nfs/dbraw/zinc/26/27/92/891262792.db2.gz BNPDGOZSECLUAD-UHFFFAOYSA-N 0 1 382.395 3.783 20 5 GHBDMN Cc1ccc([N+](=O)[O-])c(C)c1CNCc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000873114668 891473664 /nfs/dbraw/zinc/47/36/64/891473664.db2.gz OUNZJVYQARNPMS-UHFFFAOYSA-N 0 1 382.869 3.558 20 5 GHBDMN CN1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000497414249 891531983 /nfs/dbraw/zinc/53/19/83/891531983.db2.gz DBTJEONQURLOFN-DLBZAZTESA-N 0 1 381.457 3.637 20 5 GHBDMN COc1cc(CNC[C@@H](c2ccco2)N2CCCCC2)c([N+](=O)[O-])cc1OC ZINC000237451677 891866022 /nfs/dbraw/zinc/86/60/22/891866022.db2.gz AXWZPFJPAHNDQF-KRWDZBQOSA-N 0 1 389.452 3.522 20 5 GHBDMN CC(C)c1noc(-c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)n1 ZINC000130536715 892484573 /nfs/dbraw/zinc/48/45/73/892484573.db2.gz CDIOYUFBVHHWBA-UHFFFAOYSA-N 0 1 388.405 3.569 20 5 GHBDMN Cc1ccc(C(=O)Nc2cc(N3CCN(C)CC3)ccc2[N+](=O)[O-])cc1Cl ZINC001134415780 892826322 /nfs/dbraw/zinc/82/63/22/892826322.db2.gz DVLQFSWLIBJLKT-UHFFFAOYSA-N 0 1 388.855 3.561 20 5 GHBDMN COc1ccc(NC(=O)CCN2CCc3cccc(Cl)c3C2)c([N+](=O)[O-])c1 ZINC000459669036 894030413 /nfs/dbraw/zinc/03/04/13/894030413.db2.gz CEDYVTASZWVUIV-UHFFFAOYSA-N 0 1 389.839 3.644 20 5 GHBDMN Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000192532765 895232479 /nfs/dbraw/zinc/23/24/79/895232479.db2.gz QNQZWLAVPKGVJT-HXUWFJFHSA-N 0 1 387.399 3.694 20 5 GHBDMN CC(C)(NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1cc(C(F)(F)F)on1 ZINC000817041077 895289060 /nfs/dbraw/zinc/28/90/60/895289060.db2.gz KLZHBDZWBXOBEB-UHFFFAOYSA-N 0 1 393.268 3.745 20 5 GHBDMN CC[C@H](CN[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)OC ZINC000565276371 895497041 /nfs/dbraw/zinc/49/70/41/895497041.db2.gz PDAPZKVPCQSUEP-CRAIPNDOSA-N 0 1 391.855 3.943 20 5 GHBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H](C)c1ccc(C(F)(F)F)nc1 ZINC000880099778 895513048 /nfs/dbraw/zinc/51/30/48/895513048.db2.gz VHVYQRDOHZZQFK-LLVKDONJSA-N 0 1 382.342 3.606 20 5 GHBDMN O=[N+]([O-])c1ccn(C2CCN(Cc3ccc(OCc4ccccc4)nc3)CC2)n1 ZINC000566414075 896297536 /nfs/dbraw/zinc/29/75/36/896297536.db2.gz XQHIOVQTMZUDIH-UHFFFAOYSA-N 0 1 393.447 3.602 20 5 GHBDMN O=[N+]([O-])c1ccc(Cl)c(CNC[C@@H](O)COCc2ccccc2Cl)c1 ZINC000819151557 896406466 /nfs/dbraw/zinc/40/64/66/896406466.db2.gz ZLXRCPYUXCWKCC-OAHLLOKOSA-N 0 1 385.247 3.569 20 5 GHBDMN O=[N+]([O-])c1cccc([C@@H](O)CNCc2cc(F)c(C(F)(F)F)cc2F)c1 ZINC000819312701 896605388 /nfs/dbraw/zinc/60/53/88/896605388.db2.gz VCSCLZVQLFIKTR-HNNXBMFYSA-N 0 1 376.281 3.715 20 5 GHBDMN C[C@@H]1CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)C[C@@H](c2ccccc2)O1 ZINC001136373871 897508239 /nfs/dbraw/zinc/50/82/39/897508239.db2.gz OCEYPZLIZREQEU-VLIAUNLRSA-N 0 1 392.415 3.587 20 5 GHBDMN Cc1cccc2nc(CNC(=O)[C@H](C)Oc3ccc(Cl)cc3[N+](=O)[O-])[nH]c21 ZINC000155216587 898436542 /nfs/dbraw/zinc/43/65/42/898436542.db2.gz SBPFGSFEJGNBCA-NSHDSACASA-N 0 1 388.811 3.517 20 5 GHBDMN O=[N+]([O-])c1cccc([C@H](O)CN2CCC(c3nc4c(s3)CCCC4)CC2)c1 ZINC000823461149 899037179 /nfs/dbraw/zinc/03/71/79/899037179.db2.gz FDWCLSQCCDMDJC-GOSISDBHSA-N 0 1 387.505 3.843 20 5 GHBDMN Cc1ccc2nc([C@H]3CCCN(C(=O)c4cc(F)ccc4[N+](=O)[O-])C3)[nH]c2c1 ZINC000155748732 899046565 /nfs/dbraw/zinc/04/65/65/899046565.db2.gz DQFZYFMQAVTNIW-ZDUSSCGKSA-N 0 1 382.395 3.938 20 5 GHBDMN COc1cc(C(=O)N2CCCC[C@@H]2c2n[nH]c(C(C)C)n2)cc([N+](=O)[O-])c1C ZINC000331912299 899261747 /nfs/dbraw/zinc/26/17/47/899261747.db2.gz NCPXHVJZZIRZDN-CQSZACIVSA-N 0 1 387.440 3.521 20 5 GHBDMN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000120015989 899725083 /nfs/dbraw/zinc/72/50/83/899725083.db2.gz ZQNXSYRZDWMTFF-INIZCTEOSA-N 0 1 397.479 3.954 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)cnc1N1CCC(c2cc(-c3ccncc3)[nH]n2)CC1 ZINC000571105797 899741749 /nfs/dbraw/zinc/74/17/49/899741749.db2.gz PYKSHNSMJWUILX-UHFFFAOYSA-N 0 1 384.827 3.812 20 5 GHBDMN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000120085501 899741934 /nfs/dbraw/zinc/74/19/34/899741934.db2.gz NFJAPKNSSYHHKI-CQSZACIVSA-N 0 1 384.440 3.619 20 5 GHBDMN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000571357961 899841568 /nfs/dbraw/zinc/84/15/68/899841568.db2.gz WJFKLOGNCKYBJP-KRWDZBQOSA-N 0 1 375.375 3.691 20 5 GHBDMN Cn1ccnc1[C@H](NCC[C@]1(C)CC1(Cl)Cl)c1ccc([N+](=O)[O-])cc1 ZINC000824971482 899920798 /nfs/dbraw/zinc/92/07/98/899920798.db2.gz RVWKUJUTQMIAQH-GDBMZVCRSA-N 0 1 383.279 3.981 20 5 GHBDMN C[C@H]1CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)c2ccc(F)cc2O1 ZINC001137033655 900155249 /nfs/dbraw/zinc/15/52/49/900155249.db2.gz KPENXXSCXANVAX-NSHDSACASA-N 0 1 382.351 3.552 20 5 GHBDMN CC(C)Oc1cccc([C@@H](C)NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c1 ZINC000885370729 900475268 /nfs/dbraw/zinc/47/52/68/900475268.db2.gz LDNKSBBGNZJKRF-GFCCVEGCSA-N 0 1 382.413 3.561 20 5 GHBDMN C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000844210698 900603909 /nfs/dbraw/zinc/60/39/09/900603909.db2.gz YWBKIDAECZIVGJ-CILNZUJHSA-N 0 1 381.432 3.625 20 5 GHBDMN O=[N+]([O-])c1ncccc1CN1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000886060025 900697339 /nfs/dbraw/zinc/69/73/39/900697339.db2.gz RVNZHVQOTOJPSL-OAHLLOKOSA-N 0 1 383.383 3.559 20 5 GHBDMN Cn1ccnc1[C@@H](NC[C@@]1(C)CCOC2(CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000886776322 901267860 /nfs/dbraw/zinc/26/78/60/901267860.db2.gz CLIZAHJLXJTNJA-ICSRJNTNSA-N 0 1 384.480 3.747 20 5 GHBDMN O=[N+]([O-])c1cccc(Cl)c1OC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000575910190 901460541 /nfs/dbraw/zinc/46/05/41/901460541.db2.gz KRXPJSXNRFCGTK-MRXNPFEDSA-N 0 1 376.840 3.918 20 5 GHBDMN CCOc1ccc([C@H](C)N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC ZINC000047608572 902204305 /nfs/dbraw/zinc/20/43/05/902204305.db2.gz KDGXYNVKSRVIDQ-KBPBESRZSA-N 0 1 387.436 3.680 20 5 GHBDMN CC(C)[N@@H+](CCOc1ccc(/C=C\C(=O)[O-])cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000846240801 902816584 /nfs/dbraw/zinc/81/65/84/902816584.db2.gz QJWJBTLENXNZSE-GHXNOFRVSA-N 0 1 384.432 3.982 20 5 GHBDMN C[C@@H]1CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)[C@H](c2ccccc2)CO1 ZINC001148070249 903960649 /nfs/dbraw/zinc/96/06/49/903960649.db2.gz WOMSGYQIWKEOCU-VLIAUNLRSA-N 0 1 392.415 3.587 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2nnc(CN3CC[C@H](COCc4ccccc4)C3)o2)cc1 ZINC000173984607 905177694 /nfs/dbraw/zinc/17/76/94/905177694.db2.gz CSVDUMZPYWWGNQ-KRWDZBQOSA-N 0 1 394.431 3.684 20 5 GHBDMN CN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000174677536 905321492 /nfs/dbraw/zinc/32/14/92/905321492.db2.gz WAAHTWLRITUVBG-LJQANCHMSA-N 0 1 393.447 3.746 20 5 GHBDMN O=[N+]([O-])c1cc(F)c(N2CCC(N3CCCC(F)(F)[C@H](F)C3)CC2)c(F)c1 ZINC001173009678 906085068 /nfs/dbraw/zinc/08/50/68/906085068.db2.gz HBDVDICDPAZBDA-OAHLLOKOSA-N 0 1 393.356 3.911 20 5 GHBDMN Cc1ccc([C@H](C)N[C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1[N+](=O)[O-] ZINC000177603920 906177633 /nfs/dbraw/zinc/17/76/33/906177633.db2.gz OSAXPHBORPPVBX-GJZGRUSLSA-N 0 1 391.493 3.565 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CC[C@](CF)(C(F)(F)F)C2)c1F ZINC001173182413 906262771 /nfs/dbraw/zinc/26/27/71/906262771.db2.gz RPNUEGQSROGZOT-MEBBXXQBSA-N 0 1 382.329 3.897 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CC[C@H](Oc3ccc(F)cc3)C2)c1F ZINC001173187591 906268327 /nfs/dbraw/zinc/26/83/27/906268327.db2.gz ANZHTEHGDQOHRK-BBRMVZONSA-N 0 1 392.402 3.966 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CCc3nc(Cl)ccc3C2)c1F ZINC001173187632 906269461 /nfs/dbraw/zinc/26/94/61/906269461.db2.gz BKKLLWANPRGFGN-NSHDSACASA-N 0 1 379.819 3.780 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CCN(C)[C@H](c3ccccc3)C2)c1F ZINC001173190960 906273018 /nfs/dbraw/zinc/27/30/18/906273018.db2.gz YMPIEJNZYWPTSJ-BEFAXECRSA-N 0 1 387.455 3.662 20 5 GHBDMN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCN(c2ccc3ccccc3n2)CC1 ZINC001173233999 906320074 /nfs/dbraw/zinc/32/00/74/906320074.db2.gz NTSGBORDASEGSX-QGZVFWFLSA-N 0 1 376.460 3.896 20 5 GHBDMN COc1cc(CN2CCC(c3ccncc3)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000191616620 907112237 /nfs/dbraw/zinc/11/22/37/907112237.db2.gz OBSCNQLJZNAUAJ-UHFFFAOYSA-N 0 1 393.390 3.979 20 5 GHBDMN Cc1ccc2nc([C@@H]3CCCN3C(=O)COc3ccccc3[N+](=O)[O-])[nH]c2c1 ZINC000299424825 921308975 /nfs/dbraw/zinc/30/89/75/921308975.db2.gz ZAQGLGXZXIPIFY-KRWDZBQOSA-N 0 1 380.404 3.522 20 5 GHBDMN O=C(CN[C@H]1CCCc2c(O)cccc21)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000192357076 907606088 /nfs/dbraw/zinc/60/60/88/907606088.db2.gz ZQIHZXAPQKOBPW-AWEZNQCLSA-N 0 1 375.812 3.560 20 5 GHBDMN CN(CCc1ccc2c(c1)OCO2)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001176185962 907962261 /nfs/dbraw/zinc/96/22/61/907962261.db2.gz UBSLNGLCQKFMEH-UHFFFAOYSA-N 0 1 381.388 3.653 20 5 GHBDMN C[C@@H]1CN(Cc2ccc(F)cc2[N+](=O)[O-])CC[C@H]1CNC(=O)OC(C)(C)C ZINC001176698974 908214988 /nfs/dbraw/zinc/21/49/88/908214988.db2.gz DNWTURMCDIOTKW-KGLIPLIRSA-N 0 1 381.448 3.717 20 5 GHBDMN CN1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)C(C)(C)C1 ZINC001178708620 909202437 /nfs/dbraw/zinc/20/24/37/909202437.db2.gz FWCKXBFDGIRZIS-GOSISDBHSA-N 0 1 391.537 3.947 20 5 GHBDMN CN(c1ccccc1)c1ccc(CN[C@H]2CCN(C(C)(C)C)C2=O)cc1[N+](=O)[O-] ZINC001179024270 909344227 /nfs/dbraw/zinc/34/42/27/909344227.db2.gz DOKVRSRBPMMMFD-SFHVURJKSA-N 0 1 396.491 3.852 20 5 GHBDMN O=[N+]([O-])c1cccc(Br)c1CNCC[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC001179559625 909594465 /nfs/dbraw/zinc/59/44/65/909594465.db2.gz OADRTXGZTBRLJS-TVQRCGJNSA-N 0 1 397.191 3.947 20 5 GHBDMN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)Nc2ccc(F)c([C@@H](C)O)c2)c1 ZINC000795381271 910118923 /nfs/dbraw/zinc/11/89/23/910118923.db2.gz ORFQJZHCYBRIDX-SECBINFHSA-N 0 1 388.804 3.550 20 5 GHBDMN CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000246334639 910239824 /nfs/dbraw/zinc/23/98/24/910239824.db2.gz TVOCJVLMSIEYFU-FGTMMUONSA-N 0 1 397.258 3.525 20 5 GHBDMN C[C@@H](NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1OCCc2sccc21 ZINC000795481905 910609516 /nfs/dbraw/zinc/60/95/16/910609516.db2.gz JTXNUTAQQDSGFG-QGHHPUGFSA-N 0 1 395.868 3.540 20 5 GHBDMN CCOc1ccc([C@H](C)NCc2ccc(OC)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000271022600 910759466 /nfs/dbraw/zinc/75/94/66/910759466.db2.gz ATJJGRKNRHQZFK-LBPRGKRZSA-N 0 1 375.381 3.761 20 5 GHBDMN O=C1[C@@H](N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCCN1Cc1ccccc1 ZINC000774264882 911588184 /nfs/dbraw/zinc/58/81/84/911588184.db2.gz CMBGBLHOSOWXKI-SFTDATJTSA-N 0 1 379.460 3.753 20 5 GHBDMN C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000303705064 915061233 /nfs/dbraw/zinc/06/12/33/915061233.db2.gz BQELCYSPXPPANA-RHSMWYFYSA-N 0 1 383.423 3.501 20 5 GHBDMN COc1ccc(CC[C@@H]2CCCCN2Cc2cccnc2[N+](=O)[O-])cc1OC ZINC001190778916 917559520 /nfs/dbraw/zinc/55/95/20/917559520.db2.gz BRXUMDQELQTQJB-SFHVURJKSA-N 0 1 385.464 3.994 20 5 GHBDMN O=C(Cc1ccccc1)N1CCC[C@H](NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000800899854 920580924 /nfs/dbraw/zinc/58/09/24/920580924.db2.gz ZONFHCXKSPZAKU-KRWDZBQOSA-N 0 1 387.867 3.572 20 5 GHBDMN CC[C@@](C)(NCCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1nc(C)cs1 ZINC000298736825 920867527 /nfs/dbraw/zinc/86/75/27/920867527.db2.gz VRCRIBRKYYHBPX-GOSISDBHSA-N 0 1 392.481 3.612 20 5 GHBDMN COc1cc([C@H](C)NCc2ccc(C)cc2N2CCOCC2)cc([N+](=O)[O-])c1 ZINC000903109491 922779788 /nfs/dbraw/zinc/77/97/88/922779788.db2.gz GTHABLMJQBNSJI-INIZCTEOSA-N 0 1 385.464 3.599 20 5 GHBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(C(=O)[O-])(C(F)(F)F)CC1 ZINC000903922189 923401048 /nfs/dbraw/zinc/40/10/48/923401048.db2.gz YMXMAQNIMOVBDO-UHFFFAOYSA-N 0 1 390.358 3.611 20 5 GHBDMN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCc1ncoc1-c1ccccc1 ZINC000371288573 924511305 /nfs/dbraw/zinc/51/13/05/924511305.db2.gz DBKPPHXWALTOHE-AWEZNQCLSA-N 0 1 380.404 3.757 20 5 GHBDMN COc1cc(CNCc2ccc(-c3ccncc3)cc2)c([N+](=O)[O-])cc1OC ZINC000371762256 924833246 /nfs/dbraw/zinc/83/32/46/924833246.db2.gz GNEABBIHEPMMLO-UHFFFAOYSA-N 0 1 379.416 3.964 20 5 GHBDMN O=C(N[C@H]1CCc2nc[nH]c2C1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000372332606 925341862 /nfs/dbraw/zinc/34/18/62/925341862.db2.gz LRMCZJXBPYTCLZ-ZDUSSCGKSA-N 0 1 394.456 3.756 20 5 GHBDMN C[C@H]1Cc2ccccc2N1C1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000750094317 927431258 /nfs/dbraw/zinc/43/12/58/927431258.db2.gz CTIJCGDMUFCXBG-KSFYIVLOSA-N 0 1 381.476 3.544 20 5 GHBDMN CCCCO[C@@H]1C[C@@H](N(C)Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1(C)C ZINC000751942565 928498847 /nfs/dbraw/zinc/49/88/47/928498847.db2.gz KKTOXRIACSJZPV-IAGOWNOFSA-N 0 1 375.473 3.521 20 5 GHBDMN CCO[C@@H]1C[C@H](N(C)Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1(CC)CC ZINC000751959309 928511725 /nfs/dbraw/zinc/51/17/25/928511725.db2.gz KNGWCMSMZAJAPE-DLBZAZTESA-N 0 1 375.473 3.521 20 5 GHBDMN Cc1cccc(C(=O)OCc2nc3ccc(Br)cc3[nH]2)c1[N+](=O)[O-] ZINC000780525435 930541735 /nfs/dbraw/zinc/54/17/35/930541735.db2.gz ZBEJWRASKNWCDM-UHFFFAOYSA-N 0 1 390.193 3.899 20 5 GHBDMN C[C@H](CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)Cc1cccc(F)c1 ZINC000470566562 930718115 /nfs/dbraw/zinc/71/81/15/930718115.db2.gz XWKNTAHMIFPCMD-LBPRGKRZSA-N 0 1 383.383 3.726 20 5 GHBDMN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000470837075 930956854 /nfs/dbraw/zinc/95/68/54/930956854.db2.gz RXMJXQLYDSHOIO-WBVHZDCISA-N 0 1 383.448 3.559 20 5 GHBDMN CC(C)(C)CCN1CCN(C(=O)c2cccc([N+](=O)[O-])c2Br)CC1 ZINC000782167262 931107194 /nfs/dbraw/zinc/10/71/94/931107194.db2.gz MNZZGGJWQFNRFN-UHFFFAOYSA-N 0 1 398.301 3.551 20 5 GHBDMN CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CCC[C@@](C)(O)CC2)cc1OC ZINC000471076107 931135832 /nfs/dbraw/zinc/13/58/32/931135832.db2.gz SVZWOKSVCSKPGQ-FOIQADDNSA-N 0 1 380.485 3.765 20 5 GHBDMN CC(C)(C)OC(=O)N1Cc2ccc(COC(=O)c3ccc([N+](=O)[O-])[nH]3)cc2C1 ZINC000783180504 931450540 /nfs/dbraw/zinc/45/05/40/931450540.db2.gz XWUDXXYQWAJJHZ-UHFFFAOYSA-N 0 1 387.392 3.531 20 5 GHBDMN CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)c1 ZINC000558848360 932271493 /nfs/dbraw/zinc/27/14/93/932271493.db2.gz BYRQIKLCIRTPNM-KRWDZBQOSA-N 0 1 397.475 3.730 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1CN1CCC(COc2ccc(Cl)nc2)CC1 ZINC000797521709 932318798 /nfs/dbraw/zinc/31/87/98/932318798.db2.gz ZVQGAROGAPGUFU-UHFFFAOYSA-N 0 1 391.855 3.943 20 5 GHBDMN CCO[C@@H]1C[C@H](NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H]1n1cccn1 ZINC000559362822 932628242 /nfs/dbraw/zinc/62/82/42/932628242.db2.gz FNNILQUCMVIPMW-SXLOBPIMSA-N 0 1 382.420 3.560 20 5 GHBDMN CN(Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)[C@@H]1CCN(C)C1=O ZINC000560551755 933336806 /nfs/dbraw/zinc/33/68/06/933336806.db2.gz OCBLLQGFEGELIO-MRXNPFEDSA-N 0 1 389.839 3.703 20 5 GHBDMN CN(Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)[C@H]1CCN(C)C1=O ZINC000560551753 933337226 /nfs/dbraw/zinc/33/72/26/933337226.db2.gz OCBLLQGFEGELIO-INIZCTEOSA-N 0 1 389.839 3.703 20 5 GHBDMN O=[N+]([O-])c1ccc(OC(F)F)c(CN2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c1 ZINC000560680789 933452026 /nfs/dbraw/zinc/45/20/26/933452026.db2.gz UYISRRJXBOXVIC-LBPRGKRZSA-N 0 1 393.394 3.571 20 5 GHBDMN CN(Cc1cc(C(C)(C)C)[nH]n1)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC001116817699 933774679 /nfs/dbraw/zinc/77/46/79/933774679.db2.gz XEZMSAWJTBVBGS-UHFFFAOYSA-N 0 1 376.848 3.708 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2cnn(CN3CCC4(CC3)OCc3ccccc34)c2)c1 ZINC000777964404 934410468 /nfs/dbraw/zinc/41/04/68/934410468.db2.gz PHBVSMZRXHVYMF-UHFFFAOYSA-N 0 1 390.443 3.937 20 5 GHBDMN Cc1csc(C(=O)Nc2cc(N3CCN(C)CC3)ccc2[N+](=O)[O-])c1Cl ZINC001121158955 934576294 /nfs/dbraw/zinc/57/62/94/934576294.db2.gz CNMVNHMXMLXYET-UHFFFAOYSA-N 0 1 394.884 3.622 20 5 GHBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@H](C)c1ccc(N2CCNC2=O)cc1 ZINC000829731357 935852929 /nfs/dbraw/zinc/85/29/29/935852929.db2.gz MXZFCUPGUPJCDG-OAHLLOKOSA-N 0 1 398.463 3.762 20 5 GHBDMN O=C([O-])CC[C@H]1CCCC[N@H+]1Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001595012463 951260061 /nfs/dbraw/zinc/26/00/61/951260061.db2.gz ICBRZDPESPNMPW-GFCCVEGCSA-N 0 1 394.815 3.518 20 5 GHBDMN CC(C)[C@H]1CN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC001591096468 991687371 /nfs/dbraw/zinc/68/73/71/991687371.db2.gz FMEHRPSXXPUUJI-HXUWFJFHSA-N 0 1 383.448 3.640 20 5 GHBDMN O=C(NCc1ccc([N+](=O)[O-])cc1Cl)c1ccc(Nc2ccncc2)cc1 ZINC000468813013 1016060880 /nfs/dbraw/zinc/06/08/80/1016060880.db2.gz DHNAGTMEXCAYOT-UHFFFAOYSA-N 0 1 382.807 3.739 20 5 GHBDMN Cn1cc2cccc(-c3noc(-c4cc(-c5cccc([N+](=O)[O-])c5)n[nH]4)n3)c2n1 ZINC001212995163 1032278487 /nfs/dbraw/zinc/27/84/87/1032278487.db2.gz MBGFKXLCYWDCGY-UHFFFAOYSA-N 0 1 387.359 3.589 20 5 GHBDMN COC(=O)c1cccc(O[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C)c1[N+](=O)[O-] ZINC001227894194 1032674156 /nfs/dbraw/zinc/67/41/56/1032674156.db2.gz KTCZEWASCLZOKG-HNAYVOBHSA-N 0 1 384.432 3.671 20 5 GHBDMN Cc1cc(O[C@H]2CC[C@@H](N3CCOCC3)CC2)c([N+](=O)[O-])cc1Br ZINC001227999151 1032732023 /nfs/dbraw/zinc/73/20/23/1032732023.db2.gz ABJBRUQWXIBOHZ-OKILXGFUSA-N 0 1 399.285 3.688 20 5 GHBDMN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)c1cc(-c2ccoc2)n[nH]1 ZINC000569795559 1019518839 /nfs/dbraw/zinc/51/88/39/1019518839.db2.gz BTCRPYIHYYVDNY-UHFFFAOYSA-N 0 1 377.154 3.593 20 5 GHBDMN O=C(NCCN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000779025985 1020284447 /nfs/dbraw/zinc/28/44/47/1020284447.db2.gz RXCUBRVDCNTOLC-NRFANRHFSA-N 0 1 393.418 3.843 20 5 GHBDMN O=C(c1ccccc1)[C@H](Oc1nc(C2CC2)[nH]c(=O)c1[N+](=O)[O-])c1ccccc1 ZINC001228602478 1033001854 /nfs/dbraw/zinc/00/18/54/1033001854.db2.gz CABRWGQMDHGHNJ-GOSISDBHSA-N 0 1 391.383 3.971 20 5 GHBDMN CC(C)CN(Cc1cnn(C)c1)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000835077419 1021874687 /nfs/dbraw/zinc/87/46/87/1021874687.db2.gz SDQFOAKQHLDEPG-UHFFFAOYSA-N 0 1 381.274 3.749 20 5 GHBDMN Cc1ccc2nc([C@H]3CCCN(c4ccc([N+](=O)[O-])c5nonc54)C3)[nH]c2c1 ZINC000754076038 1022464780 /nfs/dbraw/zinc/46/47/80/1022464780.db2.gz SMDSYKFUTHMQNX-LBPRGKRZSA-N 0 1 378.392 3.700 20 5 GHBDMN O=C(Nc1ccc2nc[nH]c2c1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000754987704 1023001037 /nfs/dbraw/zinc/00/10/37/1023001037.db2.gz MRRKIHODSJVTIY-UHFFFAOYSA-N 0 1 379.145 3.625 20 5 GHBDMN Cc1cc(C)c(S(=O)(=O)Nc2ccc(SC(F)F)nc2)cc1[N+](=O)[O-] ZINC000755078923 1023064629 /nfs/dbraw/zinc/06/46/29/1023064629.db2.gz DSLLSBMUXCMHFK-UHFFFAOYSA-N 0 1 389.405 3.722 20 5 GHBDMN COC(=O)c1cc([N+](=O)[O-])c(O[C@@H]2CC[C@@H](OCc3ccccc3)C2)cc1O ZINC001228813842 1033113001 /nfs/dbraw/zinc/11/30/01/1033113001.db2.gz GXMMJJQXFKGDLE-HUUCEWRRSA-N 0 1 387.388 3.604 20 5 GHBDMN C[C@H](C(=O)OC[C@H]1CCCN1Cc1ccco1)c1ccc([N+](=O)[O-])cc1F ZINC000755745506 1023359857 /nfs/dbraw/zinc/35/98/57/1023359857.db2.gz DUVNVGARBSJWOT-DZGCQCFKSA-N 0 1 376.384 3.638 20 5 GHBDMN C[NH+](C)CC[C@@H](Oc1[n-]c(C(F)(F)F)cc(=O)c1[N+](=O)[O-])c1ccccc1 ZINC001228858012 1033138928 /nfs/dbraw/zinc/13/89/28/1033138928.db2.gz ARPWLLMLIPWFLN-CYBMUJFWSA-N 0 1 385.342 3.786 20 5 GHBDMN O=C1C[C@H]2C[C@@H](Oc3ccc(/C=C/[N+](=O)[O-])cc3)[C@@H](C1)N2Cc1ccccc1 ZINC001229116794 1033287577 /nfs/dbraw/zinc/28/75/77/1033287577.db2.gz XTOHRNZXDRUNQP-NKNWZZHWSA-N 0 1 378.428 3.687 20 5 GHBDMN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H](C1CCCCC1)C(F)(F)F ZINC001211477040 1027978996 /nfs/dbraw/zinc/97/89/96/1027978996.db2.gz LLYMVYZXJKJOAK-CQSZACIVSA-N 0 1 380.388 3.693 20 5 GHBDMN O=[N+]([O-])c1ccc(CN[C@H](c2ccccc2)C2(CO)CCOCC2)cc1Cl ZINC000840972455 1028007090 /nfs/dbraw/zinc/00/70/90/1028007090.db2.gz MCYRFZODPVLOHW-LJQANCHMSA-N 0 1 390.867 3.868 20 5 GHBDMN O=C(Nc1nccc2cc([N+](=O)[O-])ccc21)c1ccc(CN2CCCCC2)o1 ZINC001461452724 1069556659 /nfs/dbraw/zinc/55/66/59/1069556659.db2.gz LIBOVRGFQPKZLG-UHFFFAOYSA-N 0 1 380.404 3.974 20 5 GHBDMN CCc1ccc(-c2nc(-c3cccc(N4CCN(C)CC4)c3)no2)cc1[N+](=O)[O-] ZINC001215405833 1029192148 /nfs/dbraw/zinc/19/21/48/1029192148.db2.gz GSYBWABVUSMCIY-UHFFFAOYSA-N 0 1 393.447 3.626 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2nc(-c3ncccc3/C=C/N3CCCC3)no2)c(F)c1 ZINC001215694088 1029352140 /nfs/dbraw/zinc/35/21/40/1029352140.db2.gz JZTDPXFWNFQWSX-YRNVUSSQSA-N 0 1 381.367 3.912 20 5 GHBDMN O=[N+]([O-])c1cc(F)ccc1-c1nc(-c2ncccc2/C=C/N2CCCC2)no1 ZINC001216294117 1029598067 /nfs/dbraw/zinc/59/80/67/1029598067.db2.gz JWILRMWWXDKBSF-YRNVUSSQSA-N 0 1 381.367 3.912 20 5 GHBDMN O=[N+]([O-])c1cc(O)ccc1-c1nc(-c2ccc(Br)cc2F)no1 ZINC001216890700 1029981969 /nfs/dbraw/zinc/98/19/69/1029981969.db2.gz ITBJEDHQZMKQJN-UHFFFAOYSA-N 0 1 380.129 3.919 20 5 GHBDMN O=[N+]([O-])c1cc(O)ccc1-c1nc(-c2cccc(Br)c2F)no1 ZINC001216891321 1029982825 /nfs/dbraw/zinc/98/28/25/1029982825.db2.gz PPYXLBDCLUFQPF-UHFFFAOYSA-N 0 1 380.129 3.919 20 5 GHBDMN Cc1c([N+](=O)[O-])ccc(F)c1-c1nc(-c2ccc(N3CCN(C)CC3)cc2)no1 ZINC001216956844 1030029964 /nfs/dbraw/zinc/02/99/64/1030029964.db2.gz JFSQWKJYWCGDRF-UHFFFAOYSA-N 0 1 397.410 3.511 20 5 GHBDMN Cc1cc(-c2noc(-c3cc([N+](=O)[O-])cc(N4CCN(C)CC4)c3)n2)ccc1F ZINC001217018685 1030095894 /nfs/dbraw/zinc/09/58/94/1030095894.db2.gz WNOYKKTYCDMKFC-UHFFFAOYSA-N 0 1 397.410 3.511 20 5 GHBDMN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CN(Cc3ccccc3)CC[C@@H]2C)c1 ZINC001150138698 1030422899 /nfs/dbraw/zinc/42/28/99/1030422899.db2.gz BMNAUOWAUYZICS-KXBFYZLASA-N 0 1 399.516 3.957 20 5 GHBDMN COC(=O)c1cccc(CO[C@H]2CCCN([C@H](C)c3ccccn3)C2)c1[N+](=O)[O-] ZINC001223663015 1030693233 /nfs/dbraw/zinc/69/32/33/1030693233.db2.gz QKTYJKJHGCVCSQ-WBVHZDCISA-N 0 1 399.447 3.519 20 5 GHBDMN CCOC(CCNC(=O)[C@@H](N)Cc1c2ccccc2cc2ccccc21)OCC ZINC001220231240 1031847323 /nfs/dbraw/zinc/84/73/23/1031847323.db2.gz ZWIXZRZSJVJDIA-QFIPXVFZSA-N 0 1 394.515 3.768 20 5 GHBDMN O=C(Nc1nc(-c2cccnc2Cl)ns1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC001277396016 1033540768 /nfs/dbraw/zinc/54/07/68/1033540768.db2.gz OGFUTDYVJUGHQA-UHFFFAOYSA-N 0 1 397.750 3.692 20 5 GHBDMN O=C(c1ccco1)C(Oc1cc(Br)cnc1[N+](=O)[O-])c1ccco1 ZINC001229561640 1033559190 /nfs/dbraw/zinc/55/91/90/1033559190.db2.gz YMYRPXQATQJOON-CQSZACIVSA-N 0 1 393.149 3.941 20 5 GHBDMN O=C(c1ccco1)[C@H](Oc1cc(Br)cnc1[N+](=O)[O-])c1ccco1 ZINC001229561640 1033559194 /nfs/dbraw/zinc/55/91/94/1033559194.db2.gz YMYRPXQATQJOON-CQSZACIVSA-N 0 1 393.149 3.941 20 5 GHBDMN COc1c(F)cc(F)cc1-c1noc(-c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)n1 ZINC001213008343 1033576210 /nfs/dbraw/zinc/57/62/10/1033576210.db2.gz GKZHORSMOXSHLH-UHFFFAOYSA-N 0 1 399.313 3.989 20 5 GHBDMN N[C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)N1C[C@H]2[C@H](CC2(F)F)C1 ZINC001158192817 1033959111 /nfs/dbraw/zinc/95/91/11/1033959111.db2.gz GDVFBYLUQOQPJU-CZAAIQMYSA-N 0 1 380.438 3.976 20 5 GHBDMN C[C@@H]1CN(C(=O)OC(C)(C)C)CCC[C@@H]1Oc1cc2[nH]ncc2cc1[N+](=O)[O-] ZINC001230595704 1034139725 /nfs/dbraw/zinc/13/97/25/1034139725.db2.gz MWPPUDYJVZUELP-WBMJQRKESA-N 0 1 390.440 3.886 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)NC[C@@H]2CCCc3ccccc32)c1 ZINC001208288068 1034847479 /nfs/dbraw/zinc/84/74/79/1034847479.db2.gz FJCHMYHZOSKJRT-LBPRGKRZSA-N 0 1 398.843 3.786 20 5 GHBDMN CC[C@H](NCc1ccc(O)c(OC)c1[N+](=O)[O-])c1ccc(OC)c(OC)c1 ZINC001462214205 1070089673 /nfs/dbraw/zinc/08/96/73/1070089673.db2.gz IPSGXEIMGMCHEE-AWEZNQCLSA-N 0 1 376.409 3.567 20 5 GHBDMN O=[N+]([O-])c1c(F)cc(OC[C@H]2CN(Cc3ccccc3)CCCO2)cc1F ZINC001233752261 1039590286 /nfs/dbraw/zinc/59/02/86/1039590286.db2.gz CDDSRGHLJFCBHS-MRXNPFEDSA-N 0 1 378.375 3.543 20 5 GHBDMN CC(C)(C)OC(=O)N1CC[C@H](NCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001462416112 1070237819 /nfs/dbraw/zinc/23/78/19/1070237819.db2.gz PKNIODIDQRVJCG-ZDUSSCGKSA-N 0 1 389.374 3.713 20 5 GHBDMN CC[N@H+]1CC[C@@H](Oc2cc(C(F)(F)F)c(Br)cc2[N+](=O)[O-])C1 ZINC001234393413 1039997901 /nfs/dbraw/zinc/99/79/01/1039997901.db2.gz WPARMWBBHNXGGT-MRVPVSSYSA-N 0 1 383.164 3.849 20 5 GHBDMN CCOC(=O)Cc1ccc([N+](=O)[O-])c(OC(C(=O)c2ccco2)c2ccco2)c1 ZINC001234409716 1040012793 /nfs/dbraw/zinc/01/27/93/1040012793.db2.gz FQTPSTXELMVSPM-HXUWFJFHSA-N 0 1 399.355 3.889 20 5 GHBDMN CCOC(=O)Cc1ccc([N+](=O)[O-])c(O[C@@H](C(=O)c2ccco2)c2ccco2)c1 ZINC001234409716 1040012811 /nfs/dbraw/zinc/01/28/11/1040012811.db2.gz FQTPSTXELMVSPM-HXUWFJFHSA-N 0 1 399.355 3.889 20 5 GHBDMN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCC[C@@H](NC(=O)c2cccc(F)c2)C1 ZINC001254570857 1040348847 /nfs/dbraw/zinc/34/88/47/1040348847.db2.gz QCWGJBLLANTEMI-HNAYVOBHSA-N 0 1 385.439 3.559 20 5 GHBDMN CCC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2NC)CCN1Cc1ccccc1 ZINC001295601430 1045066399 /nfs/dbraw/zinc/06/63/99/1045066399.db2.gz RSPJEWHGTLVYBE-IBGZPJMESA-N 0 1 396.491 3.763 20 5 GHBDMN O=S(=O)(CCc1ccccc1F)Nc1cccc2nc3ccccc3nc21 ZINC001259786831 1045303955 /nfs/dbraw/zinc/30/39/55/1045303955.db2.gz RABXDXZYQASCNJ-UHFFFAOYSA-N 0 1 381.432 3.907 20 5 GHBDMN CN(C)C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1N)c1ccc(Cl)c(Cl)c1 ZINC001302172892 1046855138 /nfs/dbraw/zinc/85/51/38/1046855138.db2.gz SOQSPJMQDZWYMF-INIZCTEOSA-N 0 1 397.262 3.517 20 5 GHBDMN COc1cc(NC[C@@H](C)N2CCc3sccc3C2)c([N+](=O)[O-])cc1OC ZINC001306951761 1048975903 /nfs/dbraw/zinc/97/59/03/1048975903.db2.gz RDLYFWNJGSSQHI-GFCCVEGCSA-N 0 1 377.466 3.532 20 5 GHBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCOC[C@@H]1c1cccc(Br)c1 ZINC001307933068 1049704862 /nfs/dbraw/zinc/70/48/62/1049704862.db2.gz LVSZFGZIJSTTFC-QGZVFWFLSA-N 0 1 393.237 3.636 20 5 GHBDMN CC(C)(C)OC(=O)NC[C@]12CN(Cc3cccnc3[N+](=O)[O-])C[C@@H]1CCCC2 ZINC001308173926 1049900971 /nfs/dbraw/zinc/90/09/71/1049900971.db2.gz QDXGLZKVGIXVGR-OXJNMPFZSA-N 0 1 390.484 3.507 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)ccc1CNC[C@@H](O)c1ccccc1Br ZINC001308817453 1050106393 /nfs/dbraw/zinc/10/63/93/1050106393.db2.gz UJWVXDQLUBVABG-OAHLLOKOSA-N 0 1 385.645 3.834 20 5 GHBDMN CC[C@@H](C)c1nc([C@H](C)Nc2ncnc3c(Cl)cc([N+](=O)[O-])cc23)n[nH]1 ZINC001327697594 1050256700 /nfs/dbraw/zinc/25/67/00/1050256700.db2.gz HGZVZOIWRCBJPS-BDAKNGLRSA-N 0 1 375.820 3.996 20 5 GHBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)N[C@@H](c1cccc(Cl)c1)C1CCCC1 ZINC001309325489 1050594404 /nfs/dbraw/zinc/59/44/04/1050594404.db2.gz CZWMVDMYTNEQIJ-MRXNPFEDSA-N 0 1 395.868 3.853 20 5 GHBDMN O=C(CSc1ccccc1[N+](=O)[O-])Nc1nc(-c2ccccc2Cl)n[nH]1 ZINC001337342990 1052452354 /nfs/dbraw/zinc/45/23/54/1052452354.db2.gz ADCLCNJQCXBJML-UHFFFAOYSA-N 0 1 389.824 3.764 20 5 GHBDMN O=[N+]([O-])c1ccc(CN2CCC[C@H](C[C@@H]3CCOC3)C2)c(Br)c1 ZINC001342948732 1053453482 /nfs/dbraw/zinc/45/34/82/1053453482.db2.gz FZIOTOSLWAEVLR-KGLIPLIRSA-N 0 1 383.286 3.996 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(CN2CCSC[C@H]2CCO)o1 ZINC001319729305 1055429368 /nfs/dbraw/zinc/42/93/68/1055429368.db2.gz NWRFOTRRGIVIFC-CYBMUJFWSA-N 0 1 382.869 3.808 20 5 GHBDMN COC(=O)c1cc([N+](=O)[O-])c(N(C)Cc2cc(C(C)(C)C)[nH]n2)cc1Cl ZINC001320836930 1055981711 /nfs/dbraw/zinc/98/17/11/1055981711.db2.gz SKYBNLCYYOIDSF-UHFFFAOYSA-N 0 1 380.832 3.692 20 5 GHBDMN CC(C)c1n[nH]c(NC(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)n1 ZINC001321369263 1056235823 /nfs/dbraw/zinc/23/58/23/1056235823.db2.gz MUNULNFLLJVDEF-BETUJISGSA-N 0 1 386.456 3.571 20 5 GHBDMN CC(C)c1nc(NC(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)n[nH]1 ZINC001321369263 1056235840 /nfs/dbraw/zinc/23/58/40/1056235840.db2.gz MUNULNFLLJVDEF-BETUJISGSA-N 0 1 386.456 3.571 20 5 GHBDMN CCN(CC)C(=O)[C@H](Cc1ccccc1)N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848512993 1057142412 /nfs/dbraw/zinc/14/24/12/1057142412.db2.gz CEHONDDUEXCGKV-UXHICEINSA-N 0 1 381.476 3.651 20 5 GHBDMN Cc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])c(F)cc2C)N2CCCC2)o1 ZINC001442868900 1059020705 /nfs/dbraw/zinc/02/07/05/1059020705.db2.gz BVECRGPYQLEKNL-KRWDZBQOSA-N 0 1 375.400 3.511 20 5 GHBDMN Cc1ccc(-c2n[nH]c(NC(=O)c3cc4ccccc4c([N+](=O)[O-])c3N)n2)cc1 ZINC001457518276 1063221566 /nfs/dbraw/zinc/22/15/66/1063221566.db2.gz ITVYQWGYKNNDDZ-UHFFFAOYSA-N 0 1 388.387 3.676 20 5 GHBDMN O=C(Cc1ccc(C2CCC2)cc1)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC001457611077 1063276787 /nfs/dbraw/zinc/27/67/87/1063276787.db2.gz HOOYJDKQVVHZEZ-UHFFFAOYSA-N 0 1 377.404 3.829 20 5 GHBDMN Cc1cc(CNC(=O)C(F)(F)F)cc(Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC001458386955 1063777108 /nfs/dbraw/zinc/77/71/08/1063777108.db2.gz WSLDMBNGPSAWSC-UHFFFAOYSA-N 0 1 393.325 3.702 20 5 GHBDMN C[C@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])[C@H]1CNC(=O)OC(C)(C)C ZINC001459611679 1064142348 /nfs/dbraw/zinc/14/23/48/1064142348.db2.gz TUEHONZFUFTRHR-RDJZCZTQSA-N 0 1 393.484 3.599 20 5 GHBDMN CC[C@H]1CCCC[C@@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC001463798567 1064627338 /nfs/dbraw/zinc/62/73/38/1064627338.db2.gz VIBODWAIAIIYJJ-WDEREUQCSA-N 0 1 378.853 3.882 20 5 GHBDMN CC(C)N(Cc1cnn(Cc2ccccc2)c1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC001466419858 1066144064 /nfs/dbraw/zinc/14/40/64/1066144064.db2.gz OTBZYQVVSAKOPH-UHFFFAOYSA-N 0 1 394.431 3.596 20 5 GHBDMN O=C(NCc1ccc(OCc2ccccc2F)cc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC001466686633 1066256153 /nfs/dbraw/zinc/25/61/53/1066256153.db2.gz BBHXRFAZWFPWOR-UHFFFAOYSA-N 0 1 396.374 3.949 20 5 GHBDMN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1CC[C@H](c2cccc(F)c2)C1 ZINC001467602401 1067379895 /nfs/dbraw/zinc/37/98/95/1067379895.db2.gz CTFIAONJCTUVQI-HNNXBMFYSA-N 0 1 380.379 3.754 20 5 GHBDMN CO[C@H](CS(=O)(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C)C1CCCC1 ZINC000849308050 1067793807 /nfs/dbraw/zinc/79/38/07/1067793807.db2.gz MBZUXBDSBQIOLB-OAHLLOKOSA-N 0 1 376.862 3.504 20 5 GHBDMN C[C@@H]1[C@H](C)N(Cc2ccccc2)[C@@H](C)CN1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC001468996803 1067948168 /nfs/dbraw/zinc/94/81/68/1067948168.db2.gz VEDNTLCBNLTIRZ-OKZBNKHCSA-N 0 1 396.491 3.788 20 5 GHBDMN CCN(CC)[C@H](C(=O)NCc1cc([N+](=O)[O-])c(F)cc1F)c1ccccc1 ZINC001469454523 1068169752 /nfs/dbraw/zinc/16/97/52/1068169752.db2.gz QYIUOUJEYRMRJR-SFHVURJKSA-N 0 1 377.391 3.572 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCCC[C@@H]1CC1(O)CCCCC1 ZINC001460764461 1069164110 /nfs/dbraw/zinc/16/41/10/1069164110.db2.gz VZLCXYVMAWDSHQ-GOSISDBHSA-N 0 1 389.496 3.782 20 5 GHBDMN COc1ccc(CN2CC[C@H](CNC(=O)OC(C)(C)C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC001460880727 1069249825 /nfs/dbraw/zinc/24/98/25/1069249825.db2.gz LUAAYZSCXASFFB-GOEBONIOSA-N 0 1 393.484 3.586 20 5 GHBDMN O=C(NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)[C@H]1CCCN1Cc1ccccc1 ZINC001470809615 1072751700 /nfs/dbraw/zinc/75/17/00/1072751700.db2.gz USENVXIUNMGNHS-MRXNPFEDSA-N 0 1 391.830 3.668 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@@]3(C=Cc4ccccc4O3)C2)c1[N+](=O)[O-] ZINC001472150460 1073347891 /nfs/dbraw/zinc/34/78/91/1073347891.db2.gz IPIZVUYUPJKXEZ-HXUWFJFHSA-N 0 1 382.420 3.522 20 5 GHBDMN CC[C@H](c1ccccc1)N1CCN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC001473193519 1073846545 /nfs/dbraw/zinc/84/65/45/1073846545.db2.gz VVHLMIWIFRXFKU-FXAWDEMLSA-N 0 1 396.491 3.691 20 5 GHBDMN Cc1ccc([C@@H](CC(F)(F)F)NC[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC001473354070 1073933393 /nfs/dbraw/zinc/93/33/93/1073933393.db2.gz LVKNFXFXZGNQPL-JKSUJKDBSA-N 0 1 398.381 3.926 20 5 GHBDMN CN(CCc1ccccc1[N+](=O)[O-])Cc1ccc(Br)cc1[N+](=O)[O-] ZINC001473465225 1073978460 /nfs/dbraw/zinc/97/84/60/1073978460.db2.gz NMFXNWBEHLXBBT-UHFFFAOYSA-N 0 1 394.225 3.940 20 5 GHBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC[C@@H](Cc3ccc(OC)cc3)C2)c1 ZINC001473491341 1073988145 /nfs/dbraw/zinc/98/81/45/1073988145.db2.gz VQQUJQYLWDMKRA-KRWDZBQOSA-N 0 1 398.459 3.845 20 5 GHBDMN C[N@@H+](CCCCCCNC(=O)OC(C)(C)C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC001473776829 1074136499 /nfs/dbraw/zinc/13/64/99/1074136499.db2.gz TUQSEHMVJOUUOF-UHFFFAOYSA-N 0 1 381.473 3.817 20 5 GHBDMN Cc1cccc(C2(NS(=O)(=O)c3c(F)cccc3[N+](=O)[O-])CCCC2)c1 ZINC001474925172 1074634527 /nfs/dbraw/zinc/63/45/27/1074634527.db2.gz KWGZQGSJVUOMLE-UHFFFAOYSA-N 0 1 378.425 3.790 20 5 GHBDMN C[C@]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])(C(=O)[O-])c1cccc(Br)c1 ZINC000736664228 600080462 /nfs/dbraw/zinc/08/04/62/600080462.db2.gz LSDJCFHOOCPMSW-MRXNPFEDSA-N 0 1 397.200 3.586 20 5 GHBDMN C[N@@H+](Cc1ccccc1)[C@H]1CCN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000830855556 604269487 /nfs/dbraw/zinc/26/94/87/604269487.db2.gz AKVPEBRINIEODY-AWEZNQCLSA-N 0 1 389.839 3.657 20 5 GHBDMN C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])[C@@H](C(=O)[O-])c1cccc(Br)c1 ZINC000833694223 605213484 /nfs/dbraw/zinc/21/34/84/605213484.db2.gz KWVCMRCHTQKENA-OAHLLOKOSA-N 0 1 397.200 3.754 20 5 GHBDMN C[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])[C@@H](C(=O)[O-])c1cccc(Br)c1 ZINC000833694223 605213486 /nfs/dbraw/zinc/21/34/86/605213486.db2.gz KWVCMRCHTQKENA-OAHLLOKOSA-N 0 1 397.200 3.754 20 5 GHBDMN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1nnc(/C=C\c2ccco2)s1 ZINC000471102231 834377965 /nfs/dbraw/zinc/37/79/65/834377965.db2.gz WGNCEKIRSCLDNN-HJWRWDBZSA-N 0 1 386.389 3.861 20 5 GHBDMN CCCN(CC(N)=O)Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000430148466 834570960 /nfs/dbraw/zinc/57/09/60/834570960.db2.gz SFACOIDJOXQTEK-UHFFFAOYSA-N 0 1 377.828 3.738 20 5 GHBDMN COc1ccc(C[C@@H]2CCCN([C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C2)cc1 ZINC000584442710 834623278 /nfs/dbraw/zinc/62/32/78/834623278.db2.gz DIYNJRKBKKQIJQ-WMZOPIPTSA-N 0 1 397.475 3.885 20 5 GHBDMN COc1cccc([C@@H](CNC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)N(C)C)c1 ZINC000120239729 834960611 /nfs/dbraw/zinc/96/06/11/834960611.db2.gz AKNCHOXQQYUOPU-LJQANCHMSA-N 0 1 386.452 3.645 20 5 GHBDMN Cc1cc(N2CCC(c3nnc4n3CCCC4)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000274754981 835012471 /nfs/dbraw/zinc/01/24/71/835012471.db2.gz QGZXRRHREIZGSQ-UHFFFAOYSA-N 0 1 392.463 3.763 20 5 GHBDMN Cc1cc(N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000573004023 835077151 /nfs/dbraw/zinc/07/71/51/835077151.db2.gz KBGSGYMQJGDUKB-QAPCUYQASA-N 0 1 383.448 3.924 20 5 GHBDMN CN(C(=O)OC(C)(C)C)C1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255619154 835293367 /nfs/dbraw/zinc/29/33/67/835293367.db2.gz UXVXVVURFUABLS-CLFYSBASSA-N 0 1 375.469 3.939 20 5 GHBDMN O=C(C=Cc1ccc([N+](=O)[O-])cc1)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1 ZINC000255625904 835313874 /nfs/dbraw/zinc/31/38/74/835313874.db2.gz WNILPJSCPMVECL-PRCIHIDRSA-N 0 1 378.388 3.975 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000047323433 844053924 /nfs/dbraw/zinc/05/39/24/844053924.db2.gz KAAXXEKBXVOKDU-UHFFFAOYSA-N 0 1 386.427 3.828 20 5 GHBDMN Cc1nc(-c2ccccc2)[nH]c1C(=O)OCc1ccc(N(C)C)c([N+](=O)[O-])c1 ZINC000785226792 835757944 /nfs/dbraw/zinc/75/79/44/835757944.db2.gz YHLFWWKPPVMUHW-UHFFFAOYSA-N 0 1 380.404 3.716 20 5 GHBDMN C[C@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccc(OC(F)F)cc1 ZINC000179609293 835890397 /nfs/dbraw/zinc/89/03/97/835890397.db2.gz XHTKSZZEWDXGBQ-LBPRGKRZSA-N 0 1 379.363 3.510 20 5 GHBDMN COc1ccc2c(c1)CCN([C@@H](C)c1nnc(-c3ccc([N+](=O)[O-])cc3)o1)CC2 ZINC000375833781 836032426 /nfs/dbraw/zinc/03/24/26/836032426.db2.gz VDPAUPBXEKOQID-AWEZNQCLSA-N 0 1 394.431 3.815 20 5 GHBDMN COc1ccc(C2(NCc3cc(OC)c(F)cc3[N+](=O)[O-])CCOCC2)cc1 ZINC000613381619 836246283 /nfs/dbraw/zinc/24/62/83/836246283.db2.gz KTEINYWUBSDWSN-UHFFFAOYSA-N 0 1 390.411 3.547 20 5 GHBDMN Cc1ccc([C@H](CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)N2CCCC2)o1 ZINC000411871940 836404425 /nfs/dbraw/zinc/40/44/25/836404425.db2.gz IMXXVBUVNGHSIT-OTWHNJEPSA-N 0 1 383.448 3.553 20 5 GHBDMN O=C1CCCCN1C1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000180002233 836569625 /nfs/dbraw/zinc/56/96/25/836569625.db2.gz RNFLGCIETSFTHI-UHFFFAOYSA-N 0 1 383.448 3.832 20 5 GHBDMN CC[C@H](N[C@@H](C)CS(=O)(=O)c1ccc(C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000120146735 837008537 /nfs/dbraw/zinc/00/85/37/837008537.db2.gz WOKFADUOVQNAQS-KXBFYZLASA-N 0 1 376.478 3.806 20 5 GHBDMN COc1cccc([C@H]2[C@@H](NC(=O)Nc3cccc([N+](=O)[O-])c3)CCN2C2CC2)c1 ZINC000180067377 837064452 /nfs/dbraw/zinc/06/44/52/837064452.db2.gz FXDQKIHNLXJDEA-PMACEKPBSA-N 0 1 396.447 3.703 20 5 GHBDMN Cc1ccc(S(=O)(=O)C[C@H](C)N[C@@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000547832076 837189912 /nfs/dbraw/zinc/18/99/12/837189912.db2.gz KHKOCAWRUWEKQC-HOTGVXAUSA-N 0 1 376.478 3.725 20 5 GHBDMN CC[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)s1 ZINC000542555309 844257176 /nfs/dbraw/zinc/25/71/76/844257176.db2.gz DCPFXLMQBCFFKM-CYBMUJFWSA-N 0 1 388.898 3.824 20 5 GHBDMN O=[N+]([O-])c1ccc([C@@H](NC2CCN(Cc3ccccn3)CC2)C(F)(F)F)cc1 ZINC000580455351 837361652 /nfs/dbraw/zinc/36/16/52/837361652.db2.gz CKULCWIZOIAINX-GOSISDBHSA-N 0 1 394.397 3.847 20 5 GHBDMN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC(c2c[nH]c3ncccc23)CC1 ZINC000118838232 837932821 /nfs/dbraw/zinc/93/28/21/837932821.db2.gz HHOJYHGLYBGIFF-CQSZACIVSA-N 0 1 393.447 3.678 20 5 GHBDMN C[C@H]1C[C@@H](NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CN1C1CC1 ZINC000275658473 838245583 /nfs/dbraw/zinc/24/55/83/838245583.db2.gz MLUPLCIJIRJYAD-SMDDNHRTSA-N 0 1 397.425 3.727 20 5 GHBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1cc(Cl)ccc1Cl ZINC000103202082 838376476 /nfs/dbraw/zinc/37/64/76/838376476.db2.gz MJSXXTNNYZWKCI-UHFFFAOYSA-N 0 1 378.175 3.939 20 5 GHBDMN CCOc1ccc([C@H](C)N[C@@H]2CCN(C3CCCCC3)C2=O)cc1[N+](=O)[O-] ZINC000090464543 838608333 /nfs/dbraw/zinc/60/83/33/838608333.db2.gz GXRHUVKXSOMPIT-WMLDXEAASA-N 0 1 375.469 3.578 20 5 GHBDMN O=C(NC[C@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1)Nc1cccc(F)c1 ZINC000104060820 838612612 /nfs/dbraw/zinc/61/26/12/838612612.db2.gz WKTRYCPYKODKSA-OAHLLOKOSA-N 0 1 386.427 3.768 20 5 GHBDMN Cc1ccc2nc([C@@H]3CCCN(C(=O)COc4cccc([N+](=O)[O-])c4)C3)[nH]c2c1 ZINC000120212813 838804282 /nfs/dbraw/zinc/80/42/82/838804282.db2.gz CRECUEDCYACJBB-OAHLLOKOSA-N 0 1 394.431 3.565 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@H](C)c1ccc(F)cc1F ZINC000181597205 839155413 /nfs/dbraw/zinc/15/54/13/839155413.db2.gz OHXCJCGFFHBRFY-LLVKDONJSA-N 0 1 379.363 3.561 20 5 GHBDMN COCCSc1ccc([C@H](C)NCc2ccc(O)c(OC)c2[N+](=O)[O-])cc1 ZINC000892916166 839393363 /nfs/dbraw/zinc/39/33/63/839393363.db2.gz KBLPIAWJQNSLGD-ZDUSSCGKSA-N 0 1 392.477 3.898 20 5 GHBDMN Cc1cc(NC[C@@H](C(C)C)N2CCN(C)CC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000549465538 840603710 /nfs/dbraw/zinc/60/37/10/840603710.db2.gz MQFKXVWMZFZWJM-KRWDZBQOSA-N 0 1 388.434 3.606 20 5 GHBDMN O=C(Cc1ccccc1[N+](=O)[O-])OCc1nc2ccc(Br)cc2[nH]1 ZINC000780524781 840728197 /nfs/dbraw/zinc/72/81/97/840728197.db2.gz FIQZSWXNPGNHKZ-UHFFFAOYSA-N 0 1 390.193 3.520 20 5 GHBDMN CC(=O)NCC1CCN(Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000511624810 840831662 /nfs/dbraw/zinc/83/16/62/840831662.db2.gz DHRRMUIZISEGAQ-UHFFFAOYSA-N 0 1 396.491 3.711 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@H](C)c1ccc(C)c(F)c1 ZINC000126670574 841801236 /nfs/dbraw/zinc/80/12/36/841801236.db2.gz AYSNHOZKQUJCTN-CHWSQXEVSA-N 0 1 375.400 3.729 20 5 GHBDMN Cc1ccc(OC2CCN(C(=O)c3[nH]nc4ccc([N+](=O)[O-])cc43)CC2)cc1C ZINC000054010210 842096540 /nfs/dbraw/zinc/09/65/40/842096540.db2.gz RVJMZXGEGUXTSY-UHFFFAOYSA-N 0 1 394.431 3.772 20 5 GHBDMN Cc1ccc([C@@H](CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])N2CCCC2)o1 ZINC000176024906 842211089 /nfs/dbraw/zinc/21/10/89/842211089.db2.gz VKFDIZOVUJWKHV-OAHLLOKOSA-N 0 1 377.828 3.717 20 5 GHBDMN O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000120411549 842363236 /nfs/dbraw/zinc/36/32/36/842363236.db2.gz VSXGWCTWNOLWOI-SFHVURJKSA-N 0 1 394.431 3.693 20 5 GHBDMN CC(=O)Nc1cccc([C@@H](C)N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000028339523 861352782 /nfs/dbraw/zinc/35/27/82/861352782.db2.gz WSWSMQNERDZSKJ-KGLIPLIRSA-N 0 1 384.436 3.539 20 5 GHBDMN C[C@@H]1CCCC[N@H+]1Cc1ccc(CNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000567980544 842912408 /nfs/dbraw/zinc/91/24/08/842912408.db2.gz DBNTUBCSXIJICD-CQSZACIVSA-N 0 1 384.436 3.675 20 5 GHBDMN COC(=O)c1cc([C@H](C)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)oc1C ZINC000432821938 843981469 /nfs/dbraw/zinc/98/14/69/843981469.db2.gz KSTCGDZJOPBDPD-ZDUSSCGKSA-N 0 1 388.420 3.887 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N2CC(Cc3ccc(C(F)(F)F)cc3)C2)c1[N+](=O)[O-] ZINC000610924125 844859796 /nfs/dbraw/zinc/85/97/96/844859796.db2.gz KXDHSRAPJAUUBE-UHFFFAOYSA-N 0 1 396.369 3.775 20 5 GHBDMN C[C@@H]1CN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)C[C@H](C)N1C ZINC000513203832 845045584 /nfs/dbraw/zinc/04/55/84/845045584.db2.gz KZXHIQPYKYAMNB-GASCZTMLSA-N 0 1 385.489 3.911 20 5 GHBDMN CCN(C)Cc1cc(O[C@H]2CCN(c3ccc(Cl)cc3[N+](=O)[O-])C2)ccn1 ZINC000856533807 881340832 /nfs/dbraw/zinc/34/08/32/881340832.db2.gz NPSGRDFUQNAGNC-KRWDZBQOSA-N 0 1 390.871 3.753 20 5 GHBDMN CCSCC[C@@H](C)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000437697972 845382856 /nfs/dbraw/zinc/38/28/56/845382856.db2.gz VFCHPHZLCBPFQO-MRVPVSSYSA-N 0 1 387.310 3.712 20 5 GHBDMN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ncc(C)c(-c3ccccc3)n2)c1 ZINC000433141355 845491258 /nfs/dbraw/zinc/49/12/58/845491258.db2.gz OGTCJYSXWUAKFY-UHFFFAOYSA-N 0 1 398.444 3.778 20 5 GHBDMN CC[C@H](c1ccccc1)N1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC001167504165 845528358 /nfs/dbraw/zinc/52/83/58/845528358.db2.gz JBFXQQSECZLAKV-OAQYLSRUSA-N 0 1 396.491 3.611 20 5 GHBDMN CCN(Cc1ccccc1)C(=O)CN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433158620 845541314 /nfs/dbraw/zinc/54/13/14/845541314.db2.gz KEDKXPBJJNFTDF-FQEVSTJZSA-N 0 1 381.476 3.956 20 5 GHBDMN CN(C)C(=O)[C@H](Cc1ccccc1)N[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433177896 845630305 /nfs/dbraw/zinc/63/03/05/845630305.db2.gz RDDAJFJPIRCPEX-PMACEKPBSA-N 0 1 381.476 3.606 20 5 GHBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 ZINC000135506133 846502428 /nfs/dbraw/zinc/50/24/28/846502428.db2.gz SYSKTQFXBNNKIS-UHFFFAOYSA-N 0 1 396.375 3.772 20 5 GHBDMN C[C@@H]1CN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@H](C)CN1Cc1ccccc1 ZINC000501802267 847202355 /nfs/dbraw/zinc/20/23/55/847202355.db2.gz FWBPTUOSEUXOMG-IAGOWNOFSA-N 0 1 397.475 3.556 20 5 GHBDMN C[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000501802266 847202554 /nfs/dbraw/zinc/20/25/54/847202554.db2.gz FWBPTUOSEUXOMG-DLBZAZTESA-N 0 1 397.475 3.556 20 5 GHBDMN Cc1c(NS(=O)(=O)c2ccccc2C(=O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000479150767 847524667 /nfs/dbraw/zinc/52/46/67/847524667.db2.gz BVHFJZDOAACQSC-UHFFFAOYSA-N 0 1 396.424 3.935 20 5 GHBDMN C[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C1(c2ccccc2)CCCC1 ZINC001211548725 847583911 /nfs/dbraw/zinc/58/39/11/847583911.db2.gz FJTVVZNWOLJPEK-AWEZNQCLSA-N 0 1 392.452 3.913 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000178633160 848050409 /nfs/dbraw/zinc/05/04/09/848050409.db2.gz DYRQANXCEMBSJC-UHFFFAOYSA-N 0 1 380.282 3.751 20 5 GHBDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000277857730 848248929 /nfs/dbraw/zinc/24/89/29/848248929.db2.gz NWSOEQPTHNPKEW-QJPTWQEYSA-N 0 1 377.470 3.584 20 5 GHBDMN CC1(C)C[N@H+](C2(CNc3ccc([N+](=O)[O-])c(C(=O)[O-])c3)CCCCC2)CCO1 ZINC000582788453 848373915 /nfs/dbraw/zinc/37/39/15/848373915.db2.gz ISDQLYOWUYMEJG-UHFFFAOYSA-N 0 1 391.468 3.519 20 5 GHBDMN COC(=O)c1ccc(C)c(NC(=O)[C@H](C)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000178680833 848478362 /nfs/dbraw/zinc/47/83/62/848478362.db2.gz NWRSRPJLEZIMBX-GJZGRUSLSA-N 0 1 399.447 3.676 20 5 GHBDMN Cc1ccc([C@@H](C)N[C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)cc1[N+](=O)[O-] ZINC000161531126 848638280 /nfs/dbraw/zinc/63/82/80/848638280.db2.gz FAICPNICDYYAPF-LSDHHAIUSA-N 0 1 391.493 3.565 20 5 GHBDMN CCN(C[C@@H]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1)CC(F)(F)F ZINC000176408136 849109105 /nfs/dbraw/zinc/10/91/05/849109105.db2.gz BBZNKJIGMFKGAY-LBPRGKRZSA-N 0 1 379.810 3.954 20 5 GHBDMN CCC[C@@H](NCC(=O)N[C@@H]1CCOc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000503906087 849767782 /nfs/dbraw/zinc/76/77/82/849767782.db2.gz YLFNYWXZAAEIPM-RTBURBONSA-N 0 1 383.448 3.666 20 5 GHBDMN O=[N+]([O-])c1cc(CN[C@H]2CCN(c3cccc(Br)c3)C2)cs1 ZINC000487175917 850518282 /nfs/dbraw/zinc/51/82/82/850518282.db2.gz UVQMNIOWPMKJIN-ZDUSSCGKSA-N 0 1 382.283 3.787 20 5 GHBDMN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](c1ccc(F)cc1)N(C)C ZINC000439885377 850546435 /nfs/dbraw/zinc/54/64/35/850546435.db2.gz BAQCEKBCTVQEEO-QGZVFWFLSA-N 0 1 390.415 3.557 20 5 GHBDMN O=C([O-])c1csc(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)n1 ZINC000426638495 851093799 /nfs/dbraw/zinc/09/37/99/851093799.db2.gz JLLVJDZEXFEPFR-UHFFFAOYSA-N 0 1 375.431 3.768 20 5 GHBDMN Cc1ccc(C[N@@H+]2CC[C@H](CN(C)c3ccc([N+](=O)[O-])c(C(=O)[O-])c3)C2)s1 ZINC000910378013 851177241 /nfs/dbraw/zinc/17/72/41/851177241.db2.gz CVIPWBHXSWMFFR-CQSZACIVSA-N 0 1 389.477 3.621 20 5 GHBDMN O=[N+]([O-])c1cc(Br)ccc1CN[C@H](CCCO)c1ccccc1 ZINC000425461308 851188032 /nfs/dbraw/zinc/18/80/32/851188032.db2.gz RXQFVBNQCMYITG-MRXNPFEDSA-N 0 1 379.254 3.961 20 5 GHBDMN C[C@H](CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CCCC[C@@H]1C ZINC000436095234 851213437 /nfs/dbraw/zinc/21/34/37/851213437.db2.gz AMKQLJWQPUWHJM-LSDHHAIUSA-N 0 1 395.478 3.813 20 5 GHBDMN COc1ccccc1-c1ncc(CN(C)CCc2cccc([N+](=O)[O-])c2)cn1 ZINC000430086069 851513596 /nfs/dbraw/zinc/51/35/96/851513596.db2.gz PPWMSJYUKONYAO-UHFFFAOYSA-N 0 1 378.432 3.735 20 5 GHBDMN C[C@H](NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)C(=O)NC(C)(C)C ZINC000101595769 851733860 /nfs/dbraw/zinc/73/38/60/851733860.db2.gz ZWZWHLHBBMPAKX-ZDUSSCGKSA-N 0 1 389.427 3.919 20 5 GHBDMN Cc1ccc(CS(=O)(=O)Nc2ccc([N+](=O)[O-])c3ncccc23)cc1F ZINC000184224881 851745986 /nfs/dbraw/zinc/74/59/86/851745986.db2.gz JCXCTSBPIQCSJU-UHFFFAOYSA-N 0 1 375.381 3.532 20 5 GHBDMN O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1nc2ccc(F)cc2[nH]1 ZINC000488946347 851893455 /nfs/dbraw/zinc/89/34/55/851893455.db2.gz DJMBLHDUFNNBTH-UHFFFAOYSA-N 0 1 386.386 3.809 20 5 GHBDMN O=[N+]([O-])c1ccn(C2CCN(Cc3ccc(-c4ccncc4)cc3F)CC2)n1 ZINC000425965540 852166912 /nfs/dbraw/zinc/16/69/12/852166912.db2.gz UEECYRUZPUBXGX-UHFFFAOYSA-N 0 1 381.411 3.830 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)Nc1ccc(N2CCN(C)CC2)cc1C ZINC000163203865 862328917 /nfs/dbraw/zinc/32/89/17/862328917.db2.gz XIRBCVGWXKOSBE-UHFFFAOYSA-N 0 1 383.452 3.607 20 5 GHBDMN CN(CCCc1cc(-c2ccccc2)no1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000506196296 852184627 /nfs/dbraw/zinc/18/46/27/852184627.db2.gz XPYTZBQJJKOJKN-UHFFFAOYSA-N 0 1 381.388 3.660 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1CN[C@H]1CCCN([C@@H](C)c2ccccc2F)C1=O ZINC000550257399 852196320 /nfs/dbraw/zinc/19/63/20/852196320.db2.gz ZUGVMXNEDQPJDY-YWZLYKJASA-N 0 1 385.439 3.884 20 5 GHBDMN CCN(C(=O)c1cccc([N+](=O)[O-])c1[O-])[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000436795326 852354014 /nfs/dbraw/zinc/35/40/14/852354014.db2.gz FFJJQSFJQOPHEG-WBVHZDCISA-N 0 1 383.448 3.598 20 5 GHBDMN O=C(CN1C[C@@H]2CCCC[C@H]2C1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000426781762 852387471 /nfs/dbraw/zinc/38/74/71/852387471.db2.gz DNOXHRJVPZDQRF-GJZGRUSLSA-N 0 1 386.477 3.779 20 5 GHBDMN O=[N+]([O-])c1ccc(Cc2noc(-c3cc(F)ccc3O)n2)c(Br)c1 ZINC000436938918 852522078 /nfs/dbraw/zinc/52/20/78/852522078.db2.gz LTBMZGSACOWYEO-UHFFFAOYSA-N 0 1 394.156 3.843 20 5 GHBDMN CCN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000436965563 852537118 /nfs/dbraw/zinc/53/71/18/852537118.db2.gz KTXOAOGMFWHLST-QAPCUYQASA-N 0 1 383.448 3.598 20 5 GHBDMN Cc1ccc(C=Cc2n[nH]c(SCC(=O)N(C)c3ccc([N+](=O)[O-])cc3)n2)o1 ZINC000210026072 852555217 /nfs/dbraw/zinc/55/52/17/852555217.db2.gz UIOBLAZWFBPBMJ-KTKRTIGZSA-N 0 1 399.432 3.540 20 5 GHBDMN O=c1nc(C=Cc2cc(O)ccc2[N+](=O)[O-])[nH]c2sc(Br)cc21 ZINC000436973723 852558446 /nfs/dbraw/zinc/55/84/46/852558446.db2.gz UUKBEUDBGBCGGF-RJRFIUFISA-N 0 1 394.206 3.944 20 5 GHBDMN CC[N@@H+](CCC1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1)CC(C)C ZINC000436982495 852571739 /nfs/dbraw/zinc/57/17/39/852571739.db2.gz XMQYLLYCALXAEI-UHFFFAOYSA-N 0 1 377.485 3.521 20 5 GHBDMN C[C@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000506361196 852843171 /nfs/dbraw/zinc/84/31/71/852843171.db2.gz HEGXSSXIBZXAKN-GTNSWQLSSA-N 0 1 376.796 3.556 20 5 GHBDMN Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2NCc2ccccc2[N+](=O)[O-])cc1 ZINC000185934976 862475520 /nfs/dbraw/zinc/47/55/20/862475520.db2.gz BZFATKKBJLNYPM-AZUAARDMSA-N 0 1 388.489 3.778 20 5 GHBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000519890468 853587307 /nfs/dbraw/zinc/58/73/07/853587307.db2.gz BJFAGDBZYRKKMQ-GDBMZVCRSA-N 0 1 378.425 3.739 20 5 GHBDMN Cc1cc(S(=O)(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)c(C)s1 ZINC000757921600 862495219 /nfs/dbraw/zinc/49/52/19/862495219.db2.gz QRIDFMWXBRTAEE-UHFFFAOYSA-N 0 1 391.268 3.836 20 5 GHBDMN O=C(CN1C[C@@H]2CCC[C@@H]2C1)Nc1cc(N2C[C@@H]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000156814211 854348811 /nfs/dbraw/zinc/34/88/11/854348811.db2.gz NINBMRAWXRJKFC-MHORFTMASA-N 0 1 398.507 3.502 20 5 GHBDMN CCCc1[nH]nc(C(=O)N2CCC(c3c[nH]c4ccc(F)cc43)CC2)c1[N+](=O)[O-] ZINC000588790554 854421964 /nfs/dbraw/zinc/42/19/64/854421964.db2.gz CXQDWQKOCYRSEJ-UHFFFAOYSA-N 0 1 399.426 3.911 20 5 GHBDMN CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000588825737 854509528 /nfs/dbraw/zinc/50/95/28/854509528.db2.gz LARPTNLAVIWXDZ-OAHLLOKOSA-N 0 1 387.488 3.669 20 5 GHBDMN CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000588825737 854509534 /nfs/dbraw/zinc/50/95/34/854509534.db2.gz LARPTNLAVIWXDZ-OAHLLOKOSA-N 0 1 387.488 3.669 20 5 GHBDMN COc1cccc(-c2cc(C(=O)N(Cc3cccc([N+](=O)[O-])c3)C3CC3)n[nH]2)c1 ZINC000163840668 862575489 /nfs/dbraw/zinc/57/54/89/862575489.db2.gz UNZMFOUFQOOKCJ-UHFFFAOYSA-N 0 1 392.415 3.798 20 5 GHBDMN Cc1cc(C(F)(F)F)ncc1NS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000589558056 855025515 /nfs/dbraw/zinc/02/55/15/855025515.db2.gz UQGHAIFEXSUKJD-UHFFFAOYSA-N 0 1 389.355 3.735 20 5 GHBDMN CCC[C@@H](N[C@H]1CCCN(Cc2ccccn2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000273307274 855187921 /nfs/dbraw/zinc/18/79/21/855187921.db2.gz VWWGAWVZPWATAE-UXHICEINSA-N 0 1 382.464 3.612 20 5 GHBDMN C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)[C@@H](C)CN1Cc1ccccc1 ZINC000542714074 855527479 /nfs/dbraw/zinc/52/74/79/855527479.db2.gz PCRPCCYYVXWFOL-CABCVRRESA-N 0 1 386.427 3.861 20 5 GHBDMN CC(=O)c1ccc(NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)cc1Cl ZINC000542724547 855563167 /nfs/dbraw/zinc/56/31/67/855563167.db2.gz OJTJABJRADFOEA-UHFFFAOYSA-N 0 1 382.825 3.868 20 5 GHBDMN Cc1n[nH]c(C(F)(F)F)c1C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000590870936 855637506 /nfs/dbraw/zinc/63/75/06/855637506.db2.gz MDCMQWLUEDDBJN-LBPRGKRZSA-N 0 1 382.342 3.665 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000133797111 862704271 /nfs/dbraw/zinc/70/42/71/862704271.db2.gz CVLKPOGCUPQWAQ-GJZGRUSLSA-N 0 1 391.493 3.565 20 5 GHBDMN CN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273602500 855796482 /nfs/dbraw/zinc/79/64/82/855796482.db2.gz SEBOCQGQYRZUKA-KDOFPFPSSA-N 0 1 398.394 3.603 20 5 GHBDMN Cc1cc(C2CCN(C(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)CC2)n[nH]1 ZINC000273615380 855821255 /nfs/dbraw/zinc/82/12/55/855821255.db2.gz NFAHUOJDPLFFHS-UHFFFAOYSA-N 0 1 382.342 3.665 20 5 GHBDMN Cc1ccc(C=Cc2n[nH]c(S[C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])n2)o1 ZINC000591374423 855956231 /nfs/dbraw/zinc/95/62/31/855956231.db2.gz DZRFHXPPHBJYDO-ZWLSGLHFSA-N 0 1 399.432 3.904 20 5 GHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(-c3ncc4n3CCCC4)cc2)cc1 ZINC000171779259 856261463 /nfs/dbraw/zinc/26/14/63/856261463.db2.gz TUCPVUMRZFDRKC-UHFFFAOYSA-N 0 1 398.444 3.595 20 5 GHBDMN COc1ccc([C@@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2)N2CCCCC2)cc1 ZINC000018177075 856452327 /nfs/dbraw/zinc/45/23/27/856452327.db2.gz DMPIFHJGWXKOEC-HXUWFJFHSA-N 0 1 398.463 3.952 20 5 GHBDMN CCc1cccc2c1OCC[C@@H]2NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000507837934 856517038 /nfs/dbraw/zinc/51/70/38/856517038.db2.gz PRILLUSBDZSQCH-AWEZNQCLSA-N 0 1 396.852 3.613 20 5 GHBDMN Cc1ccc(Sc2ccc(C(=O)N3CCN4CCC3CC4)cc2[N+](=O)[O-])cc1 ZINC000507879470 856621057 /nfs/dbraw/zinc/62/10/57/856621057.db2.gz ZBOQJQJIJRHFGK-UHFFFAOYSA-N 0 1 397.500 3.975 20 5 GHBDMN Cc1nc([C@@H]2CCCN(c3ccc(C(=O)c4ccccc4)cc3[N+](=O)[O-])C2)n[nH]1 ZINC000301678124 857068089 /nfs/dbraw/zinc/06/80/89/857068089.db2.gz TYWCDEAOEWUKSQ-QGZVFWFLSA-N 0 1 391.431 3.636 20 5 GHBDMN Cc1nnc([C@@H]2CCCN(c3ccc(C(=O)c4ccccc4)cc3[N+](=O)[O-])C2)[nH]1 ZINC000301678124 857068097 /nfs/dbraw/zinc/06/80/97/857068097.db2.gz TYWCDEAOEWUKSQ-QGZVFWFLSA-N 0 1 391.431 3.636 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2nc(CSc3nc(-c4cccnc4)n[nH]3)co2)cc1 ZINC000134174445 862877625 /nfs/dbraw/zinc/87/76/25/862877625.db2.gz STIHRGVDWOTGFN-UHFFFAOYSA-N 0 1 380.389 3.722 20 5 GHBDMN Cc1c([C@@H](C)Nc2cccc(CN3CCC[C@H]3C(N)=O)c2)cccc1[N+](=O)[O-] ZINC000245933208 857203109 /nfs/dbraw/zinc/20/31/09/857203109.db2.gz VZWCDXOSVLMSHS-QRWLVFNGSA-N 0 1 382.464 3.526 20 5 GHBDMN CCc1ccc([C@@H](NCC(C)(C)[C@@]2(O)CCOC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000592396800 857334835 /nfs/dbraw/zinc/33/48/35/857334835.db2.gz KOMYTYXRYFUTAB-PZJWPPBQSA-N 0 1 388.464 3.607 20 5 GHBDMN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(C(=O)C3CCC3)cc2)c1C ZINC000486072409 857406788 /nfs/dbraw/zinc/40/67/88/857406788.db2.gz WOFZBVWBYPUQQP-UHFFFAOYSA-N 0 1 388.445 3.995 20 5 GHBDMN O=C(Cc1cccc([N+](=O)[O-])c1)Nc1cc(Cl)cc(Br)c1O ZINC000174920792 857407062 /nfs/dbraw/zinc/40/70/62/857407062.db2.gz FHBIYZVCHPGMRQ-UHFFFAOYSA-N 0 1 385.601 3.898 20 5 GHBDMN CCc1csc(CC2CCN(C(=O)c3[nH]nc4ccc([N+](=O)[O-])cc43)CC2)n1 ZINC000594383623 858143439 /nfs/dbraw/zinc/14/34/39/858143439.db2.gz OFBVXBIWAGUKAG-UHFFFAOYSA-N 0 1 399.476 3.585 20 5 GHBDMN O=[N+]([O-])c1ccccc1C[N@H+](CCOCc1ccccc1)[C@H]1CC[C@H](O)CC1 ZINC000595564104 858554247 /nfs/dbraw/zinc/55/42/47/858554247.db2.gz WUERYBJUGXURPK-MEMLXQNLSA-N 0 1 384.476 3.917 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2nc(CN3CC[C@H](c4ccccc4)[C@H](CO)C3)co2)cc1 ZINC000595748891 858673855 /nfs/dbraw/zinc/67/38/55/858673855.db2.gz YZMYHNLGLQOEJA-GHTZIAJQSA-N 0 1 393.443 3.848 20 5 GHBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC([C@@H]2CCCCO2)CC1 ZINC000595788930 858688567 /nfs/dbraw/zinc/68/85/67/858688567.db2.gz OJLPMULHYYCPKE-KSSFIOAISA-N 0 1 386.452 3.987 20 5 GHBDMN CN(C)C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1F)c1cccc(C(F)(F)F)c1 ZINC001170319895 881353066 /nfs/dbraw/zinc/35/30/66/881353066.db2.gz DKBODBQKSNCYDV-MRXNPFEDSA-N 0 1 399.344 3.785 20 5 GHBDMN Cc1ccc([C@@H](C)N[C@H](Cc2ccccc2)C(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000131028783 859060587 /nfs/dbraw/zinc/06/05/87/859060587.db2.gz SAVCNABRNAFWIK-YLJYHZDGSA-N 0 1 381.476 3.788 20 5 GHBDMN Cn1ccnc1[C@H](NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 ZINC000764810063 859625761 /nfs/dbraw/zinc/62/57/61/859625761.db2.gz MQVGFUJIAXXBKT-OAQYLSRUSA-N 0 1 391.475 3.676 20 5 GHBDMN COc1cccc(C2CCN(Cc3cc4c(cc3[N+](=O)[O-])OCCO4)CC2)c1 ZINC000611266902 859672826 /nfs/dbraw/zinc/67/28/26/859672826.db2.gz ZUHYLIXIYYOWNQ-UHFFFAOYSA-N 0 1 384.432 3.754 20 5 GHBDMN COc1ccc(C[C@@H](C)N2CCC(C(=O)OC(C)(C)C)CC2)c([N+](=O)[O-])c1 ZINC001170344321 881456464 /nfs/dbraw/zinc/45/64/64/881456464.db2.gz ABCJCEAYMVUVEU-CQSZACIVSA-N 0 1 378.469 3.588 20 5 GHBDMN CC[C@H](N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1c(C)nn(C)c1C ZINC000543458140 859775863 /nfs/dbraw/zinc/77/58/63/859775863.db2.gz PQPVXQBGBQAMCK-ABAIWWIYSA-N 0 1 393.875 3.666 20 5 GHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000611555499 859804036 /nfs/dbraw/zinc/80/40/36/859804036.db2.gz PYMIHIMBKGXYRD-DTORHVGOSA-N 0 1 386.248 3.503 20 5 GHBDMN CC[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1ccc(Cl)s1 ZINC000543485559 859901988 /nfs/dbraw/zinc/90/19/88/859901988.db2.gz LLDHSLYPWWKQKX-NSHDSACASA-N 0 1 383.857 3.998 20 5 GHBDMN COC(=O)COc1ccc(CNCc2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-] ZINC000474352470 859907630 /nfs/dbraw/zinc/90/76/30/859907630.db2.gz OPKGSCDWFSHFJR-UHFFFAOYSA-N 0 1 386.448 3.734 20 5 GHBDMN COC(=O)COc1ccc(CN[C@@H]2CCc3cc(Cl)ccc32)cc1[N+](=O)[O-] ZINC000474355783 859910600 /nfs/dbraw/zinc/91/06/00/859910600.db2.gz STSNEDMKRARLJE-MRXNPFEDSA-N 0 1 390.823 3.577 20 5 GHBDMN COc1ccc(C[C@H]2CCC[N@H+]([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000555150803 860114795 /nfs/dbraw/zinc/11/47/95/860114795.db2.gz HGUILKVOLZZKMT-SJLPKXTDSA-N 0 1 397.475 3.885 20 5 GHBDMN COc1ccc(C[C@H]2CCCN([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000555150803 860114797 /nfs/dbraw/zinc/11/47/97/860114797.db2.gz HGUILKVOLZZKMT-SJLPKXTDSA-N 0 1 397.475 3.885 20 5 GHBDMN O=C(NCCc1nc2ccc(F)cc2[nH]1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000124288203 860308645 /nfs/dbraw/zinc/30/86/45/860308645.db2.gz UKHMUSBSQDWHSL-UHFFFAOYSA-N 0 1 396.300 3.602 20 5 GHBDMN COc1cc(CN(C)C[C@@H]2CCOC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000093840386 860360790 /nfs/dbraw/zinc/36/07/90/860360790.db2.gz YLUSCONVSWWRSK-KRWDZBQOSA-N 0 1 386.448 3.651 20 5 GHBDMN NC(=O)[C@H]1CCCN(Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000155029049 860368260 /nfs/dbraw/zinc/36/82/60/860368260.db2.gz RUXISDLTYJTLRS-AWEZNQCLSA-N 0 1 389.839 3.738 20 5 GHBDMN O=C(Cc1c[nH]c2ccc(Cl)cc12)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000155144063 860418897 /nfs/dbraw/zinc/41/88/97/860418897.db2.gz GOIFFDNZXCZMID-UHFFFAOYSA-N 0 1 396.794 3.696 20 5 GHBDMN CCc1nn(C)c(NCc2ccccc2CN(C)Cc2ccco2)c1[N+](=O)[O-] ZINC000094166363 860423243 /nfs/dbraw/zinc/42/32/43/860423243.db2.gz OMNUYSRZGIOAGG-UHFFFAOYSA-N 0 1 383.452 3.728 20 5 GHBDMN CCNC(=O)[C@@H](C)NCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000061028840 860583436 /nfs/dbraw/zinc/58/34/36/860583436.db2.gz UJRNPROOHNHFRN-GFCCVEGCSA-N 0 1 377.828 3.655 20 5 GHBDMN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1ncoc1-c1ccccc1 ZINC000532250022 881567445 /nfs/dbraw/zinc/56/74/45/881567445.db2.gz OTZHMUBBZCOLHS-AWEZNQCLSA-N 0 1 380.404 3.757 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2nc(CNC[C@@]3(CO)CCc4ccccc43)cs2)c1 ZINC000593652639 860704163 /nfs/dbraw/zinc/70/41/63/860704163.db2.gz IOLWPWMKKAYYDP-OAQYLSRUSA-N 0 1 395.484 3.684 20 5 GHBDMN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](NC[C@H]1CCCO1)c1ccccc1 ZINC000021818389 860946578 /nfs/dbraw/zinc/94/65/78/860946578.db2.gz NROLADMKVGYSAH-QAPCUYQASA-N 0 1 389.839 3.697 20 5 GHBDMN C[N@@H+](CCCOc1ccc(Cl)cc1)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593740534 861151050 /nfs/dbraw/zinc/15/10/50/861151050.db2.gz ONIPGFYBRZXJRC-UHFFFAOYSA-N 0 1 378.812 3.847 20 5 GHBDMN NC(=O)c1ccc(CN2CCC(c3ccnc4ccccc43)CC2)c([N+](=O)[O-])c1 ZINC000593998315 863705946 /nfs/dbraw/zinc/70/59/46/863705946.db2.gz PNQBPWLZJCXITL-UHFFFAOYSA-N 0 1 390.443 3.622 20 5 GHBDMN O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000522953414 863789882 /nfs/dbraw/zinc/78/98/82/863789882.db2.gz UHKZYEOHCFTAAP-UHFFFAOYSA-N 0 1 392.419 3.791 20 5 GHBDMN C[C@H](NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1nc2ccccc2s1 ZINC000734155149 864059679 /nfs/dbraw/zinc/05/96/79/864059679.db2.gz WKNOHTPPWHXIOY-VIFPVBQESA-N 0 1 397.865 3.897 20 5 GHBDMN CC(C)N1CCC[C@@H](NC(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000444324427 864313386 /nfs/dbraw/zinc/31/33/86/864313386.db2.gz XHHQEZRZYIMYGN-CQSZACIVSA-N 0 1 399.441 3.562 20 5 GHBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000494477242 881775231 /nfs/dbraw/zinc/77/52/31/881775231.db2.gz QLMUOZYYXBQUFP-BEFAXECRSA-N 0 1 389.839 3.615 20 5 GHBDMN CCOc1ccc(C(=O)NCC(C)(C)N2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000025898088 864662550 /nfs/dbraw/zinc/66/25/50/864662550.db2.gz YHEVLBYNQWJDPG-UHFFFAOYSA-N 0 1 397.475 3.560 20 5 GHBDMN Cn1cc([C@H](NCCCOc2ccc([N+](=O)[O-])cc2)c2ccc(F)cc2)cn1 ZINC000184606366 864756618 /nfs/dbraw/zinc/75/66/18/864756618.db2.gz MKWPFEMCYJLTAN-HXUWFJFHSA-N 0 1 384.411 3.616 20 5 GHBDMN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cc([N+](=O)[O-])c(Cl)cc2C)c1C ZINC000736421072 865202462 /nfs/dbraw/zinc/20/24/62/865202462.db2.gz QAWILRSDWNYTGM-UHFFFAOYSA-N 0 1 399.812 3.882 20 5 GHBDMN Cc1cc(Cl)c([N+](=O)[O-])cc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000736419993 865203150 /nfs/dbraw/zinc/20/31/50/865203150.db2.gz AEESPPKWJCFCDG-UHFFFAOYSA-N 0 1 385.785 3.574 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2ncn(CN3CC[C@H](Cc4ccc(F)cc4)C3)n2)c1 ZINC000736590622 865244835 /nfs/dbraw/zinc/24/48/35/865244835.db2.gz YVYXWZXYXMSNOG-MRXNPFEDSA-N 0 1 381.411 3.515 20 5 GHBDMN C[C@H]1C[C@@H](c2ccc(F)cc2)CN1Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000736597251 865247350 /nfs/dbraw/zinc/24/73/50/865247350.db2.gz WNXAYKWUSVNHAU-WMLDXEAASA-N 0 1 381.411 3.828 20 5 GHBDMN O=[N+]([O-])c1cccc([C@@H](O)CN2CC(Cc3cccc(C(F)(F)F)c3)C2)c1 ZINC000792998862 881867901 /nfs/dbraw/zinc/86/79/01/881867901.db2.gz IGCWSBQWROYEEZ-SFHVURJKSA-N 0 1 380.366 3.822 20 5 GHBDMN Cc1cc2c[nH]nc2cc1NS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000609027598 865904709 /nfs/dbraw/zinc/90/47/09/865904709.db2.gz YUEGTQCRTPFVBI-UHFFFAOYSA-N 0 1 380.813 3.542 20 5 GHBDMN O=C(Nc1ccc(-c2nc3ccc(F)cc3[nH]2)cc1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000303293508 866144666 /nfs/dbraw/zinc/14/46/66/866144666.db2.gz HLGVOPCGNGGVIX-UHFFFAOYSA-N 0 1 393.334 3.630 20 5 GHBDMN O=C(OCc1csc([N+](=O)[O-])c1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000741327947 866409515 /nfs/dbraw/zinc/40/95/15/866409515.db2.gz RDQZAVDTJLNSCV-OAHLLOKOSA-N 0 1 378.425 3.751 20 5 GHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC(Cc2cc(F)cc(F)c2)CC1 ZINC000456715515 867012437 /nfs/dbraw/zinc/01/24/37/867012437.db2.gz JHNCEJKVYHPAFF-UHFFFAOYSA-N 0 1 376.359 3.674 20 5 GHBDMN Cc1ccccc1[C@H](CC(F)(F)F)NC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000444784476 867244359 /nfs/dbraw/zinc/24/43/59/867244359.db2.gz NYYYXWRZMGMGLH-HOCLYGCPSA-N 0 1 398.381 3.926 20 5 GHBDMN CN(C)[C@@H](CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)c1ccccc1 ZINC000444823825 867268844 /nfs/dbraw/zinc/26/88/44/867268844.db2.gz GNEKUKKPIQIEIS-NRFANRHFSA-N 0 1 385.467 3.714 20 5 GHBDMN CCc1nc([C@@H](C)NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000442640903 867298132 /nfs/dbraw/zinc/29/81/32/867298132.db2.gz YBXSYTZHGANJGI-GFCCVEGCSA-N 0 1 397.460 3.918 20 5 GHBDMN Cc1cc(S(=O)(=O)Nc2ccc(Oc3ccccc3)nc2)ccc1[N+](=O)[O-] ZINC000523727928 867858582 /nfs/dbraw/zinc/85/85/82/867858582.db2.gz VJBGTMXKCQUIHW-UHFFFAOYSA-N 0 1 385.401 3.891 20 5 GHBDMN Cc1ccc([C@@H](CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)N2CCCC2)o1 ZINC000524059181 868464618 /nfs/dbraw/zinc/46/46/18/868464618.db2.gz HOVSTUJQEOGHRG-MRXNPFEDSA-N 0 1 377.828 3.717 20 5 GHBDMN C[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1cccc(OC(F)(F)F)c1 ZINC000440794745 868610901 /nfs/dbraw/zinc/61/09/01/868610901.db2.gz RUDJDFZXMJIAQC-SECBINFHSA-N 0 1 394.309 3.861 20 5 GHBDMN CC[C@]1(O)CCN(Cc2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C1 ZINC000428437866 869661000 /nfs/dbraw/zinc/66/10/00/869661000.db2.gz UPTCOEMNFJIYRE-NRFANRHFSA-N 0 1 386.448 3.529 20 5 GHBDMN CCS(=O)(=O)c1ccc([C@@H](C)NCc2ccc([N+](=O)[O-])c(Cl)c2)cc1 ZINC000793620586 882337006 /nfs/dbraw/zinc/33/70/06/882337006.db2.gz QIJWEPXHTFJCDT-GFCCVEGCSA-N 0 1 382.869 3.893 20 5 GHBDMN CNc1c(C(=O)N2CCC[C@H](c3nc4ccc(C)cc4[nH]3)C2)cccc1[N+](=O)[O-] ZINC000462771915 870068877 /nfs/dbraw/zinc/06/88/77/870068877.db2.gz FUASTQSAJGPTGO-AWEZNQCLSA-N 0 1 393.447 3.841 20 5 GHBDMN C[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccccc1C(F)(F)F ZINC000525185045 870126764 /nfs/dbraw/zinc/12/67/64/870126764.db2.gz YHFUUQXIKQARLH-VIFPVBQESA-N 0 1 392.330 3.792 20 5 GHBDMN CN(CCc1nc2sc3c(c2c(N)n1)CCCC3)Cc1ccccc1[N+](=O)[O-] ZINC000540078389 870402319 /nfs/dbraw/zinc/40/23/19/870402319.db2.gz PHQVJHZNRIDVOJ-UHFFFAOYSA-N 0 1 397.504 3.735 20 5 GHBDMN Cc1cc(C)cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)c1 ZINC000447008527 870861701 /nfs/dbraw/zinc/86/17/01/870861701.db2.gz VYBGUCPTXLYSPK-UHFFFAOYSA-N 0 1 385.239 3.775 20 5 GHBDMN Cc1ccc([C@H](C)NC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000462204240 871806298 /nfs/dbraw/zinc/80/62/98/871806298.db2.gz PZIWCHHPHNXQFC-UWVAXJGDSA-N 0 1 396.491 3.784 20 5 GHBDMN COc1cc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc2cccnc21 ZINC000794060941 882553402 /nfs/dbraw/zinc/55/34/02/882553402.db2.gz ROOPXRYNXQZJFF-UHFFFAOYSA-N 0 1 393.808 3.606 20 5 GHBDMN CCc1ccc([C@H]2CCN(CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)C2)cc1 ZINC001194715494 871912456 /nfs/dbraw/zinc/91/24/56/871912456.db2.gz POUKCAIAPSVEAQ-IBGZPJMESA-N 0 1 379.460 3.536 20 5 GHBDMN CSc1ccc(C(=O)Nc2cccc3c2OCC[C@@H]3N(C)C)cc1[N+](=O)[O-] ZINC000447730050 872172919 /nfs/dbraw/zinc/17/29/19/872172919.db2.gz PDIIGEPIXQMECO-HNNXBMFYSA-N 0 1 387.461 3.954 20 5 GHBDMN O=C(Cc1cccc(Cl)c1Cl)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000448102831 872852186 /nfs/dbraw/zinc/85/21/86/872852186.db2.gz NCVDCZYNAWMVDV-UHFFFAOYSA-N 0 1 392.202 3.868 20 5 GHBDMN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)N1CCc2ccccc2C1 ZINC000463946497 872929571 /nfs/dbraw/zinc/92/95/71/872929571.db2.gz AAKGZYSFZGWGLQ-MRXNPFEDSA-N 0 1 382.464 3.780 20 5 GHBDMN COc1ccc(OCCN(Cc2cccc([N+](=O)[O-])c2)C2CC2)c([N+](=O)[O-])c1 ZINC000768543736 873403485 /nfs/dbraw/zinc/40/34/85/873403485.db2.gz GAVJMHPPJHHEJX-UHFFFAOYSA-N 0 1 387.392 3.555 20 5 GHBDMN Cc1ccc(CN[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)cc1Br ZINC001196908634 873474694 /nfs/dbraw/zinc/47/46/94/873474694.db2.gz SGAKSHZGCIACED-KRWDZBQOSA-N 0 1 379.254 3.663 20 5 GHBDMN Cc1cccc(C(=O)Nc2nc3ccc(Br)cc3[nH]2)c1[N+](=O)[O-] ZINC000464559531 874078534 /nfs/dbraw/zinc/07/85/34/874078534.db2.gz VEQXIPDDKROESM-UHFFFAOYSA-N 0 1 375.182 3.794 20 5 GHBDMN COc1cc(CN2CCc3ccc(O)cc3CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000609133297 874131545 /nfs/dbraw/zinc/13/15/45/874131545.db2.gz HOHMVNRWIRGOCX-UHFFFAOYSA-N 0 1 394.374 3.511 20 5 GHBDMN CCN(C(=O)c1ccc([N+](=O)[O-])c([O-])c1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000475655745 874308968 /nfs/dbraw/zinc/30/89/68/874308968.db2.gz KURJNAJXSODOID-QAPCUYQASA-N 0 1 383.448 3.598 20 5 GHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000541876576 874448324 /nfs/dbraw/zinc/44/83/24/874448324.db2.gz UUPBVSJCNHRVDG-GFCCVEGCSA-N 0 1 383.429 3.930 20 5 GHBDMN CC[C@@H]1CCCCN1C(=O)[C@@H](C)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464782984 874485171 /nfs/dbraw/zinc/48/51/71/874485171.db2.gz DOSORRGGZZJATH-IAGOWNOFSA-N 0 1 389.496 3.618 20 5 GHBDMN C[C@H]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000464884795 874688190 /nfs/dbraw/zinc/68/81/90/874688190.db2.gz JIDNSXQKBPZQPD-HNNXBMFYSA-N 0 1 387.867 3.985 20 5 GHBDMN CCOc1ccc(C(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000464894463 874734711 /nfs/dbraw/zinc/73/47/11/874734711.db2.gz LEMMKKQQFYAZPZ-QGZVFWFLSA-N 0 1 397.475 3.730 20 5 GHBDMN O=[N+]([O-])c1cc(CNCc2n[nH]c(C3CC3)n2)ccc1Oc1ccc(F)cc1 ZINC000449404712 874820900 /nfs/dbraw/zinc/82/09/00/874820900.db2.gz FBJPIWMBXSINIS-UHFFFAOYSA-N 0 1 383.383 3.812 20 5 GHBDMN COC(=O)c1cc(C)nc(N[C@H](C)c2nc3ccc(Cl)cc3[nH]2)c1[N+](=O)[O-] ZINC000804447529 882892614 /nfs/dbraw/zinc/89/26/14/882892614.db2.gz FSXIQXLEMZXSPW-SECBINFHSA-N 0 1 389.799 3.788 20 5 GHBDMN Cc1ccc([C@@H](C)N[C@@H](Cc2ccc(C(F)(F)F)cc2)C(N)=O)cc1[N+](=O)[O-] ZINC000542233125 875188637 /nfs/dbraw/zinc/18/86/37/875188637.db2.gz GCXRZEXFJJOIKH-WBMJQRKESA-N 0 1 395.381 3.669 20 5 GHBDMN COc1cccc([C@@H]2C[C@@H](C)CN2CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000542252178 875222858 /nfs/dbraw/zinc/22/28/58/875222858.db2.gz HKTFJYQIHAFBBH-QRWLVFNGSA-N 0 1 383.448 3.649 20 5 GHBDMN O=C(c1ccc(Cl)cc1)C1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776278378 876161726 /nfs/dbraw/zinc/16/17/26/876161726.db2.gz VDKWAEGVAXBFKU-IBGZPJMESA-N 0 1 388.851 3.877 20 5 GHBDMN O=[N+]([O-])c1ccccc1/C=C\CN[C@@H](CO)c1ccc(Br)c(F)c1 ZINC000492224346 876480600 /nfs/dbraw/zinc/48/06/00/876480600.db2.gz JJGZHDJATABZKL-IMMZDGJCSA-N 0 1 395.228 3.833 20 5 GHBDMN Cc1n[nH]c(C(C)C)c1C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000786343796 876608570 /nfs/dbraw/zinc/60/85/70/876608570.db2.gz LKVDHRPAPWWZAR-SNVBAGLBSA-N 0 1 394.815 3.587 20 5 GHBDMN COc1cc2c(c(OC)c1OC)CCN(C/C=C/c1ccccc1[N+](=O)[O-])CC2 ZINC000537660181 883056308 /nfs/dbraw/zinc/05/63/08/883056308.db2.gz ATCZPMYPHVZDQT-SOFGYWHQSA-N 0 1 398.459 3.735 20 5 GHBDMN CCOc1cc(CN2CCC[C@H](C(=O)Nc3cccc(C)n3)C2)ccc1[N+](=O)[O-] ZINC000492515723 876977048 /nfs/dbraw/zinc/97/70/48/876977048.db2.gz RTHYYCRSMJUANG-KRWDZBQOSA-N 0 1 398.463 3.548 20 5 GHBDMN C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)C1 ZINC000450840055 876980131 /nfs/dbraw/zinc/98/01/31/876980131.db2.gz VWTWTWYGNBECQK-YJYMSZOUSA-N 0 1 377.404 3.603 20 5 GHBDMN COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)Cc1ccc(C(F)F)cc1 ZINC000450986811 877155343 /nfs/dbraw/zinc/15/53/43/877155343.db2.gz ROIXRDXOHFCMDE-UHFFFAOYSA-N 0 1 386.376 3.621 20 5 GHBDMN Cc1cc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)[nH]n1 ZINC000610010059 877293105 /nfs/dbraw/zinc/29/31/05/877293105.db2.gz RZXXBEZNFSYFIA-UHFFFAOYSA-N 0 1 391.225 3.939 20 5 GHBDMN CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@](C)(COC)C2)cc1OC ZINC000451203002 877570486 /nfs/dbraw/zinc/57/04/86/877570486.db2.gz OSGYJIIKYAUUQI-QRWLVFNGSA-N 0 1 380.485 3.887 20 5 GHBDMN COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NCc1c(Cl)cccc1[N+](=O)[O-] ZINC000551715859 877703169 /nfs/dbraw/zinc/70/31/69/877703169.db2.gz JGMYLVABVIELMK-UKRRQHHQSA-N 0 1 376.840 3.758 20 5 GHBDMN C[C@@H](c1nc(-c2cccnc2)no1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451546763 878120257 /nfs/dbraw/zinc/12/02/57/878120257.db2.gz JSQLKFYMDPUGHH-YOEHRIQHSA-N 0 1 379.420 3.980 20 5 GHBDMN CCOC(=O)CC(C)(C)N(C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000537719472 878188177 /nfs/dbraw/zinc/18/81/77/878188177.db2.gz AIVQMRNXULCZBB-UHFFFAOYSA-N 0 1 377.466 3.882 20 5 GHBDMN COc1cccc(C2(NCC(=O)Nc3cc(Cl)ccc3[N+](=O)[O-])CCC2)c1 ZINC000852694379 878529643 /nfs/dbraw/zinc/52/96/43/878529643.db2.gz RRBVIKPZMNWKJX-UHFFFAOYSA-N 0 1 389.839 3.864 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@H](C)c1ccc2c(c1)CCCO2 ZINC000852779698 878594370 /nfs/dbraw/zinc/59/43/70/878594370.db2.gz BVUQCOKCEAETHE-ZIAGYGMSSA-N 0 1 399.447 3.606 20 5 GHBDMN C[C@@H](NCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])c1ccc2c(c1)CCCO2 ZINC000852781193 878595105 /nfs/dbraw/zinc/59/51/05/878595105.db2.gz KULKPFYJVMSFKC-GFCCVEGCSA-N 0 1 389.839 3.863 20 5 GHBDMN C[C@@H](N[C@H](C)c1ccccc1OC(F)F)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000538144918 878893214 /nfs/dbraw/zinc/89/32/14/878893214.db2.gz NVPJMNDZMTZPKL-VXGBXAGGSA-N 0 1 379.363 3.874 20 5 GHBDMN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000452169567 879075198 /nfs/dbraw/zinc/07/51/98/879075198.db2.gz GJVHGXYYTDDWKF-CQSZACIVSA-N 0 1 377.510 3.653 20 5 GHBDMN C[C@@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccccc1C(F)(F)F ZINC000538257037 879131192 /nfs/dbraw/zinc/13/11/92/879131192.db2.gz HEFMYGHLMJCUAV-GFCCVEGCSA-N 0 1 381.354 3.927 20 5 GHBDMN Cc1c(CN[C@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] ZINC000493962813 879779209 /nfs/dbraw/zinc/77/92/09/879779209.db2.gz WIUYVEKIILYROA-LPHOPBHVSA-N 0 1 391.830 3.757 20 5 GHBDMN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NCc1ccccc1C(F)(F)F ZINC000520156284 879907818 /nfs/dbraw/zinc/90/78/18/879907818.db2.gz AUTKGSPGXFZECY-UHFFFAOYSA-N 0 1 394.758 3.746 20 5 GHBDMN COc1ccc(NC(=O)[C@@H](C)N(C)CCCCc2ccccc2)c([N+](=O)[O-])c1 ZINC000520244855 880500884 /nfs/dbraw/zinc/50/08/84/880500884.db2.gz RDOURIPIVLMLBK-MRXNPFEDSA-N 0 1 385.464 3.885 20 5 GHBDMN Cc1ccc(CN(CCc2ccccc2)C(=O)c2n[nH]c(C)c2[N+](=O)[O-])s1 ZINC000064335880 883162064 /nfs/dbraw/zinc/16/20/64/883162064.db2.gz KEBOWRXFUAVRKB-UHFFFAOYSA-N 0 1 384.461 3.881 20 5 GHBDMN CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000804649504 883163383 /nfs/dbraw/zinc/16/33/83/883163383.db2.gz BLWUZXFZBZFYQB-LJQANCHMSA-N 0 1 383.448 3.500 20 5 GHBDMN CN(C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)[C@H]1CN2CCC1CC2 ZINC000609532587 883322488 /nfs/dbraw/zinc/32/24/88/883322488.db2.gz MZILJFUVXRZVRX-FQEVSTJZSA-N 0 1 380.448 3.505 20 5 GHBDMN CN(c1ccccc1)c1ccc(CNCC(=O)NC2CCCC2)cc1[N+](=O)[O-] ZINC000609544484 883336736 /nfs/dbraw/zinc/33/67/36/883336736.db2.gz MGNUMZOCUOYZLM-UHFFFAOYSA-N 0 1 382.464 3.511 20 5 GHBDMN C[C@@H](CCc1ccccc1[N+](=O)[O-])N[C@@H](C)c1ncc(Br)cn1 ZINC000551212167 883490055 /nfs/dbraw/zinc/49/00/55/883490055.db2.gz UGBIIIUYWGVNKX-RYUDHWBXSA-N 0 1 379.258 3.819 20 5 GHBDMN Cc1ccc(CS(=O)(=O)Nc2ccc([N+](=O)[O-])c3ncccc23)c(F)c1 ZINC000194707987 884160325 /nfs/dbraw/zinc/16/03/25/884160325.db2.gz NVTOTUMBNRZUII-UHFFFAOYSA-N 0 1 375.381 3.532 20 5 GHBDMN O=[N+]([O-])c1ccccc1-c1ccc(CNCc2ccc(Cn3cncn3)cc2)o1 ZINC000520555018 884222481 /nfs/dbraw/zinc/22/24/81/884222481.db2.gz MSLZMGIAFGOEAY-UHFFFAOYSA-N 0 1 389.415 3.784 20 5 GHBDMN Cc1ccc(-c2cc(C(=O)OCc3coc(-c4ccc([N+](=O)[O-])cc4)n3)[nH]n2)o1 ZINC000760495421 884239192 /nfs/dbraw/zinc/23/91/92/884239192.db2.gz QQRQDHTZCRQCHV-UHFFFAOYSA-N 0 1 394.343 3.898 20 5 GHBDMN O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1NCc1ncn(-c2ccccc2)n1 ZINC000556257461 884259745 /nfs/dbraw/zinc/25/97/45/884259745.db2.gz GIMNXXVKSUTVIE-VQIMIIECSA-N 0 1 377.448 3.677 20 5 GHBDMN O=c1c2ccccc2n(Cc2nc3ccc(Br)cc3[nH]2)cc1[N+](=O)[O-] ZINC000487908120 885758494 /nfs/dbraw/zinc/75/84/94/885758494.db2.gz ABJWHRRPBJDKNY-UHFFFAOYSA-N 0 1 399.204 3.597 20 5 GHBDMN COc1ccc(-c2ocnc2C(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)cc1 ZINC000808070320 885973139 /nfs/dbraw/zinc/97/31/39/885973139.db2.gz NMHFWPVINAPMRC-UHFFFAOYSA-N 0 1 375.287 3.789 20 5 GHBDMN O=C(Nc1ccccc1)c1ccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1 ZINC000475890395 886420715 /nfs/dbraw/zinc/42/07/15/886420715.db2.gz YZUKSLHTLJTXKC-UHFFFAOYSA-N 0 1 377.356 3.805 20 5 GHBDMN CN(C)C[C@@H](NC(=O)CCC(C)(C)[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000863038255 886838327 /nfs/dbraw/zinc/83/83/27/886838327.db2.gz SMOWZDUOKONPGL-CQSZACIVSA-N 0 1 376.284 3.548 20 5 GHBDMN CCc1c(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)[nH]nc1-c1ccncc1 ZINC000128599469 887205054 /nfs/dbraw/zinc/20/50/54/887205054.db2.gz NVIOLVANMKUGMX-UHFFFAOYSA-N 0 1 390.403 3.605 20 5 GHBDMN O=[N+]([O-])c1cc(CN[C@@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)cs1 ZINC000153653216 887213442 /nfs/dbraw/zinc/21/34/42/887213442.db2.gz RLUUIOKGJITYNF-CYBMUJFWSA-N 0 1 383.355 3.672 20 5 GHBDMN C[C@H]1CCNC(=O)[C@@H]1NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000193695322 887262499 /nfs/dbraw/zinc/26/24/99/887262499.db2.gz KRPXWYGSDLAVMB-KPZWWZAWSA-N 0 1 389.839 3.655 20 5 GHBDMN Cc1nn(-c2ccccc2C)c(C)c1CN(C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000153764990 887797486 /nfs/dbraw/zinc/79/74/86/887797486.db2.gz UNBKIVNQXDRVIN-JOCHJYFZSA-N 0 1 394.475 3.871 20 5 GHBDMN CN(C)[C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1Cl)c1cccc(F)c1 ZINC000809914240 887937576 /nfs/dbraw/zinc/93/75/76/887937576.db2.gz BWEPTJLFXXYNIG-HNNXBMFYSA-N 0 1 380.807 3.812 20 5 GHBDMN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cccc(COCc3ccco3)c2)c1 ZINC000194192581 888107058 /nfs/dbraw/zinc/10/70/58/888107058.db2.gz MOFMSNRSZWJPAR-UHFFFAOYSA-N 0 1 388.401 3.705 20 5 GHBDMN O=C(c1ccc(CN2CCCCC2)o1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001127401080 888386917 /nfs/dbraw/zinc/38/69/17/888386917.db2.gz ZQQSWPOCLFDGEQ-UHFFFAOYSA-N 0 1 383.448 3.979 20 5 GHBDMN C[C@H]1CCC[N@@H+](Cc2ccc([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)C1 ZINC000032932846 889180547 /nfs/dbraw/zinc/18/05/47/889180547.db2.gz RWPQRMPABVGBRX-HNNXBMFYSA-N 0 1 389.477 3.628 20 5 GHBDMN O=C(Cc1ccccc1[N+](=O)[O-])NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000027344221 889206440 /nfs/dbraw/zinc/20/64/40/889206440.db2.gz VKJFRBQKNVDDRD-LJQANCHMSA-N 0 1 387.867 3.744 20 5 GHBDMN CCN(C[C@H]1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1)CC(F)(F)F ZINC000154135328 889320995 /nfs/dbraw/zinc/32/09/95/889320995.db2.gz QECGTUBHOMQVOG-CYBMUJFWSA-N 0 1 379.810 3.954 20 5 GHBDMN Cc1cc([N+](=O)[O-])c(F)c(C(=O)NCc2ccc(Nc3ccncc3)cc2)c1F ZINC001168513242 889351741 /nfs/dbraw/zinc/35/17/41/889351741.db2.gz PIAKRHMBFPYTMD-UHFFFAOYSA-N 0 1 398.369 3.672 20 5 GHBDMN CC(C)(C)N1CC[C@](F)(C(=O)OCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000811444903 889601048 /nfs/dbraw/zinc/60/10/48/889601048.db2.gz NFHNEYUAQDCRJC-LJQANCHMSA-N 0 1 391.399 3.506 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1cccc(C(=O)NC[C@@H]2CCCO2)c1 ZINC000154233811 890605150 /nfs/dbraw/zinc/60/51/50/890605150.db2.gz YBPRFFRQWPMLQY-UZLBHIALSA-N 0 1 397.475 3.663 20 5 GHBDMN CCOc1cc(NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)c([N+](=O)[O-])cc1OCC ZINC000812843210 891032942 /nfs/dbraw/zinc/03/29/42/891032942.db2.gz OMVJQETYCJBRFD-IBGZPJMESA-N 0 1 397.447 3.543 20 5 GHBDMN O=C([N-]c1c[nH+]ccc1-n1cccn1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000812980512 891213203 /nfs/dbraw/zinc/21/32/03/891213203.db2.gz SIGVHOAGWRKOML-UHFFFAOYSA-N 0 1 378.175 3.735 20 5 GHBDMN Cc1c(NC(=O)[C@@H](C)N2CCC[C@@H](OC3CCC3)CC2)cccc1[N+](=O)[O-] ZINC000872279310 891227569 /nfs/dbraw/zinc/22/75/69/891227569.db2.gz HPTFDGXTKQFCSO-NVXWUHKLSA-N 0 1 375.469 3.654 20 5 GHBDMN COC(=O)[C@H](CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)CC(C)C ZINC000813332827 891512751 /nfs/dbraw/zinc/51/27/51/891512751.db2.gz GDGRQNUWQXPUTB-AWEZNQCLSA-N 0 1 377.466 3.643 20 5 GHBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@@]3(CCOC3)C2)cc1OC ZINC000611667184 892313486 /nfs/dbraw/zinc/31/34/86/892313486.db2.gz DGRUJKHXZDJMCG-MGPUTAFESA-N 0 1 378.469 3.641 20 5 GHBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@@]3(CCOC3)C2)cc1OC ZINC000611667184 892313507 /nfs/dbraw/zinc/31/35/07/892313507.db2.gz DGRUJKHXZDJMCG-MGPUTAFESA-N 0 1 378.469 3.641 20 5 GHBDMN Cc1ccc(CN2CC[C@@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000814175950 892329291 /nfs/dbraw/zinc/32/92/91/892329291.db2.gz KWBADGZRTZTNSW-DLBZAZTESA-N 0 1 375.469 3.735 20 5 GHBDMN CCN(C[C@@H]1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])C1)CC(F)(F)F ZINC000747966642 893024404 /nfs/dbraw/zinc/02/44/04/893024404.db2.gz HEQNLEXVYNJEMP-LBPRGKRZSA-N 0 1 379.810 3.954 20 5 GHBDMN O=[N+]([O-])c1ccc(CNCc2cc(Br)c3c(c2)OCCCO3)cc1 ZINC000126053306 893253723 /nfs/dbraw/zinc/25/37/23/893253723.db2.gz NANQNQOBAADJFX-UHFFFAOYSA-N 0 1 393.237 3.808 20 5 GHBDMN Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)cc1C ZINC000918142794 893262228 /nfs/dbraw/zinc/26/22/28/893262228.db2.gz JLQXLSRVQZJMHC-UHFFFAOYSA-N 0 1 385.239 3.775 20 5 GHBDMN CN(CCCNC(=O)OC(C)(C)C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000815051694 893368798 /nfs/dbraw/zinc/36/87/98/893368798.db2.gz XZNDJJZVIMFEMO-UHFFFAOYSA-N 0 1 391.390 3.960 20 5 GHBDMN CC(C)(C)c1ccc(C(=O)NC2CCN(Cc3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000194653335 893708789 /nfs/dbraw/zinc/70/87/89/893708789.db2.gz ALKMGOXQILPLHE-UHFFFAOYSA-N 0 1 396.491 3.682 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)[C@H]1CCC[C@H]1c1ccccc1 ZINC000459674148 894047107 /nfs/dbraw/zinc/04/71/07/894047107.db2.gz KFGIHTHVJQEJJO-HKUYNNGSSA-N 0 1 383.448 3.810 20 5 GHBDMN COC(=O)COc1ccc(CN[C@@H](C)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000459766213 894190890 /nfs/dbraw/zinc/19/08/90/894190890.db2.gz PFJHGXVEWJCAPI-LBPRGKRZSA-N 0 1 378.812 3.651 20 5 GHBDMN C[C@@H]1CN(C(C)(C)CNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C[C@H](C)O1 ZINC000217678118 894235639 /nfs/dbraw/zinc/23/56/39/894235639.db2.gz POZZDDODVHTELV-TXEJJXNPSA-N 0 1 375.391 3.913 20 5 GHBDMN C[C@@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1Cl ZINC000537114742 894364220 /nfs/dbraw/zinc/36/42/20/894364220.db2.gz GELGIVOTXORDIO-DGCLKSJQSA-N 0 1 385.247 3.992 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(C[N@H+]2CC[C@@H](c3ccccn3)C2)o1 ZINC000878553628 894380385 /nfs/dbraw/zinc/38/03/85/894380385.db2.gz PYMYJJNOIURLJF-GFCCVEGCSA-N 0 1 385.811 3.683 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(CN2CC[C@@H](c3ccccn3)C2)o1 ZINC000878553628 894380403 /nfs/dbraw/zinc/38/04/03/894380403.db2.gz PYMYJJNOIURLJF-GFCCVEGCSA-N 0 1 385.811 3.683 20 5 GHBDMN COc1ccc(C(=O)Nc2ccc3oc(CN4CCCC4)nc3c2)cc1[N+](=O)[O-] ZINC000816765021 895059619 /nfs/dbraw/zinc/05/96/19/895059619.db2.gz OLXURBOFEFDMIE-UHFFFAOYSA-N 0 1 396.403 3.593 20 5 GHBDMN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1Br ZINC000760340200 895228665 /nfs/dbraw/zinc/22/86/65/895228665.db2.gz YRTUSSMUEVHWKA-UHFFFAOYSA-N 0 1 391.630 3.812 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C)c1ccc(C(F)(F)F)nc1 ZINC000880099824 895512515 /nfs/dbraw/zinc/51/25/15/895512515.db2.gz WUNZIZWAZFUQIN-LLVKDONJSA-N 0 1 382.342 3.606 20 5 GHBDMN Cn1cc(C2C[C@H]3CC[C@@H](C2)N3Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cn1 ZINC000880518465 895738338 /nfs/dbraw/zinc/73/83/38/895738338.db2.gz JSPWSKVOJUMWQH-DFVIVQSZSA-N 0 1 393.447 3.894 20 5 GHBDMN COc1cccc(-c2nc(C)c(C(=O)Nc3ccc(OC)c([N+](=O)[O-])c3)[nH]2)c1 ZINC000566640722 896444736 /nfs/dbraw/zinc/44/47/36/896444736.db2.gz OHPBBXYZHKAETA-UHFFFAOYSA-N 0 1 382.376 3.563 20 5 GHBDMN C[C@@H]1CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)C[C@H](c2ccccc2)O1 ZINC001136373869 897508618 /nfs/dbraw/zinc/50/86/18/897508618.db2.gz OCEYPZLIZREQEU-JLTOFOAXSA-N 0 1 392.415 3.587 20 5 GHBDMN C/C(=C/c1ccc(Cl)cc1)CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000568141383 897631022 /nfs/dbraw/zinc/63/10/22/897631022.db2.gz GUWHBQGIFBOUJD-OWBHPGMISA-N 0 1 394.880 3.715 20 5 GHBDMN O=[N+]([O-])c1cccc2c1CC[C@@H]2NCc1cc(Cl)ccc1N1CCOCC1 ZINC000568531844 897915154 /nfs/dbraw/zinc/91/51/54/897915154.db2.gz QUTQFBMZQBCLQT-SFHVURJKSA-N 0 1 387.867 3.862 20 5 GHBDMN Cc1cc(Cl)c(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1[N+](=O)[O-] ZINC000823961516 899315584 /nfs/dbraw/zinc/31/55/84/899315584.db2.gz SYGOQGHAZBFOIV-UHFFFAOYSA-N 0 1 388.855 3.561 20 5 GHBDMN COc1cc(CN[C@@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)c([N+](=O)[O-])cc1F ZINC000570640944 899463113 /nfs/dbraw/zinc/46/31/13/899463113.db2.gz FETITRQVQHOZOO-VQIMIIECSA-N 0 1 395.381 3.556 20 5 GHBDMN CC(C)CN1Cc2cccc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)c2C1 ZINC000156265606 899617442 /nfs/dbraw/zinc/61/74/42/899617442.db2.gz QFANWQDCWDTICC-UHFFFAOYSA-N 0 1 384.392 3.727 20 5 GHBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(n2cc(Br)cn2)CC1 ZINC000332441956 899672850 /nfs/dbraw/zinc/67/28/50/899672850.db2.gz JDZVZRVWETVVAP-GFCCVEGCSA-N 0 1 379.258 3.952 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2ccc(CN3CC[C@H](C(F)(F)F)[C@H](CO)C3)o2)c1 ZINC000289828510 914369243 /nfs/dbraw/zinc/36/92/43/914369243.db2.gz UFKZZUXBQDIBDK-BBRMVZONSA-N 0 1 384.354 3.848 20 5 GHBDMN COc1ccc2cc(CN(C)C(=O)c3[nH]nc4ccc([N+](=O)[O-])cc43)ccc2c1 ZINC000045290583 900148226 /nfs/dbraw/zinc/14/82/26/900148226.db2.gz VJLAYMLXOLXZKQ-UHFFFAOYSA-N 0 1 390.399 3.905 20 5 GHBDMN O=[N+]([O-])c1ncccc1CN1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000886059683 900697683 /nfs/dbraw/zinc/69/76/83/900697683.db2.gz KFQNZVWPYQXFRB-OAHLLOKOSA-N 0 1 383.383 3.559 20 5 GHBDMN CN1CCN(c2ccc(CNc3c(Cl)cc(Cl)cc3[N+](=O)[O-])cn2)CC1 ZINC000574352547 900857927 /nfs/dbraw/zinc/85/79/27/900857927.db2.gz XGWOFCYQKRNUIP-UHFFFAOYSA-N 0 1 396.278 3.661 20 5 GHBDMN COc1ccc(NC(=O)CCN(C)Cc2ccc(F)cc2Cl)c([N+](=O)[O-])c1 ZINC000303247153 914509248 /nfs/dbraw/zinc/50/92/48/914509248.db2.gz AKWFRJUIZHUGJP-UHFFFAOYSA-N 0 1 395.818 3.857 20 5 GHBDMN Cn1ccnc1[C@@H](NC[C@]1(C)CCOC2(CCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000886776529 901267824 /nfs/dbraw/zinc/26/78/24/901267824.db2.gz JEDQMEMHMLVELT-AZUAARDMSA-N 0 1 384.480 3.747 20 5 GHBDMN C[C@]1(NC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC[N@@H+](Cc2ccccc2)C1 ZINC001144568809 902399761 /nfs/dbraw/zinc/39/97/61/902399761.db2.gz ONRYMNBIXOSQOI-FQEVSTJZSA-N 0 1 387.867 3.572 20 5 GHBDMN Cc1[nH]nc(C(=O)N(C)CCCCCc2cc(-c3ccccc3)no2)c1[N+](=O)[O-] ZINC000263726947 902442069 /nfs/dbraw/zinc/44/20/69/902442069.db2.gz SUGCRPCJSSIKLU-UHFFFAOYSA-N 0 1 397.435 3.766 20 5 GHBDMN CNc1nccc(C(=O)Nc2ccc3nc(C4CCCCC4)[nH]c3c2)c1[N+](=O)[O-] ZINC000577075869 902487690 /nfs/dbraw/zinc/48/76/90/902487690.db2.gz HRSVKPAENOXFDS-UHFFFAOYSA-N 0 1 394.435 3.630 20 5 GHBDMN O=[N+]([O-])c1cccc([C@H](NC[C@H](O)COc2cccc(F)c2)c2ccccc2)c1 ZINC000779022398 903031026 /nfs/dbraw/zinc/03/10/26/903031026.db2.gz BDWMTGZCNBCDJQ-RBBKRZOGSA-N 0 1 396.418 3.853 20 5 GHBDMN O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@@H](CO)c1cccc(Br)c1 ZINC000578378892 903782309 /nfs/dbraw/zinc/78/23/09/903782309.db2.gz 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0 1 391.859 3.585 20 5 GHBDMN O=[N+]([O-])c1sccc1NCCCN1CCN(c2cccc(Cl)c2)CC1 ZINC001458170242 1063626968 /nfs/dbraw/zinc/62/69/68/1063626968.db2.gz VHGXXCQEOOMEHX-UHFFFAOYSA-N 0 1 380.901 3.934 20 5 GHBDMN CCCC(C)(C)C(=O)N(C)c1cc([N+](=O)[O-])cc(N2CCN(CC)CC2)c1 ZINC001438314886 1064028919 /nfs/dbraw/zinc/02/89/19/1064028919.db2.gz JKNJJACCZBLQBL-UHFFFAOYSA-N 0 1 376.501 3.526 20 5 GHBDMN CSc1ccc(OC[C@H](O)CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC001459691717 1064172286 /nfs/dbraw/zinc/17/22/86/1064172286.db2.gz XZCUWJVJAZMLNQ-GOSISDBHSA-N 0 1 388.489 3.721 20 5 GHBDMN CC[C@H]1CN([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC001459915284 1064269333 /nfs/dbraw/zinc/26/93/33/1064269333.db2.gz DYZMQGZKBVMFFG-MJGOQNOKSA-N 0 1 396.491 3.518 20 5 GHBDMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC001351531923 1064503674 /nfs/dbraw/zinc/50/36/74/1064503674.db2.gz LQLQOTOFLQRHJH-UHFFFAOYSA-N 0 1 395.257 3.650 20 5 GHBDMN CN(C)[C@H](CNC(=O)CCc1c(Cl)cccc1[N+](=O)[O-])c1ccsc1 ZINC001463989419 1064757783 /nfs/dbraw/zinc/75/77/83/1064757783.db2.gz QVTMZOKDCNFIFL-MRXNPFEDSA-N 0 1 381.885 3.661 20 5 GHBDMN Cc1ccccc1CN1CCCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2C)CC1 ZINC001464087689 1064812046 /nfs/dbraw/zinc/81/20/46/1064812046.db2.gz RNWPACFSNZGOJB-UHFFFAOYSA-N 0 1 385.439 3.699 20 5 GHBDMN CN(CCCOc1ccc(F)cc1)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC001464636156 1065125950 /nfs/dbraw/zinc/12/59/50/1065125950.db2.gz QUJLPOXRIAGHCW-UHFFFAOYSA-N 0 1 398.394 3.665 20 5 GHBDMN Nc1c(Cl)cc(C(=O)Nc2ccc(Br)c(O)c2)cc1[N+](=O)[O-] ZINC001466898484 1066377171 /nfs/dbraw/zinc/37/71/71/1066377171.db2.gz NZLGXHHBYLSRKV-UHFFFAOYSA-N 0 1 386.589 3.551 20 5 GHBDMN CCC1(CC)[C@@H](NCc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C[C@@H]1OC ZINC001460072189 1068761407 /nfs/dbraw/zinc/76/14/07/1068761407.db2.gz XXZSGYBPNQZCOS-GJZGRUSLSA-N 0 1 394.859 3.982 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1CN1CCC(Cc2nc3ccccc3[nH]2)CC1 ZINC001460281126 1068905355 /nfs/dbraw/zinc/90/53/55/1068905355.db2.gz YIXKVMXSHVHTAV-UHFFFAOYSA-N 0 1 380.448 3.934 20 5 GHBDMN C[C@@H]1[C@H](C)N(Cc2cc(O)ccc2[N+](=O)[O-])[C@@H](C)CN1C(=O)OC(C)(C)C ZINC001460302495 1068914706 /nfs/dbraw/zinc/91/47/06/1068914706.db2.gz ZKHLBGDWIGSTJI-MELADBBJSA-N 0 1 379.457 3.519 20 5 GHBDMN CC(C)(C)OC(=O)[C@@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])Cc2ccccc21 ZINC001460412751 1068956790 /nfs/dbraw/zinc/95/67/90/1068956790.db2.gz BKPWWSQGBCPXMU-GOSISDBHSA-N 0 1 384.432 3.742 20 5 GHBDMN Cc1cccc(CN2CC[C@H](NC(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC001470711433 1072697741 /nfs/dbraw/zinc/69/77/41/1072697741.db2.gz NBNJPBVOXDNXFO-AEFFLSMTSA-N 0 1 399.516 3.775 20 5 GHBDMN Cc1cccc(CN2CC[C@H](NC(=O)c3cc(Cl)c(C)cc3[N+](=O)[O-])C2)c1 ZINC001470714451 1072700889 /nfs/dbraw/zinc/70/08/89/1072700889.db2.gz XTFGCXXHBBWRPE-INIZCTEOSA-N 0 1 387.867 3.869 20 5 GHBDMN Nc1c(C(=O)Nc2nc3cc(Cl)cc(Cl)c3[nH]2)cc(F)cc1[N+](=O)[O-] ZINC001470718222 1072704422 /nfs/dbraw/zinc/70/44/22/1072704422.db2.gz RZOSSEKPDPNSFS-UHFFFAOYSA-N 0 1 384.154 3.752 20 5 GHBDMN CCC[C@@H]1CN(c2cc(C)c(C(F)(F)F)cc2[N+](=O)[O-])CCN1CCOC ZINC001472734385 1073642334 /nfs/dbraw/zinc/64/23/34/1073642334.db2.gz GVLHRVBXIFLMNV-CQSZACIVSA-N 0 1 389.418 3.859 20 5 GHBDMN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001473154361 1073814139 /nfs/dbraw/zinc/81/41/39/1073814139.db2.gz VHIZNFQNDUPRNB-KRWDZBQOSA-N 0 1 396.491 3.518 20 5 GHBDMN Cc1ncc([N+](=O)[O-])n1CCN1CCC(c2ccccc2Br)CC1 ZINC001473395813 1073948594 /nfs/dbraw/zinc/94/85/94/1073948594.db2.gz XAJFKAKUSDWGGX-UHFFFAOYSA-N 0 1 393.285 3.742 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H](CCC(=O)OC(C)(C)C)C1 ZINC001473558148 1074015821 /nfs/dbraw/zinc/01/58/21/1074015821.db2.gz GFJZXGMPAXUMON-HNNXBMFYSA-N 0 1 378.469 3.937 20 5 GHBDMN CCOc1ccc(NC(=O)CN[C@@]2(c3ccccc3)CC2(C)C)c([N+](=O)[O-])c1 ZINC001473675482 1074079715 /nfs/dbraw/zinc/07/97/15/1074079715.db2.gz PGKJQQNQBNZGPS-OAQYLSRUSA-N 0 1 383.448 3.847 20 5 GHBDMN C[C@](CO)(NCc1ccc(OCc2ccccn2)cc1)c1cccc([N+](=O)[O-])c1 ZINC001473714000 1074103019 /nfs/dbraw/zinc/10/30/19/1074103019.db2.gz HRKGAUXAXDKDQA-JOCHJYFZSA-N 0 1 393.443 3.566 20 5 GHBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCCC[C@@H]1c1ncc(Br)cn1 ZINC001473808845 1074154619 /nfs/dbraw/zinc/15/46/19/1074154619.db2.gz KJWSJKKCBCGSDF-OAHLLOKOSA-N 0 1 393.241 3.580 20 5 GHBDMN Cc1cccc(OC[C@H](O)CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C(C)C)c1 ZINC001474309431 1074334271 /nfs/dbraw/zinc/33/42/71/1074334271.db2.gz CAVRYYQOQVGCGB-QGZVFWFLSA-N 0 1 399.447 3.695 20 5 GHBDMN COc1c(O)ccc(CN2CCC(CCC(=O)OC(C)(C)C)CC2)c1[N+](=O)[O-] ZINC001474620696 1074487519 /nfs/dbraw/zinc/48/75/19/1074487519.db2.gz VQBIYOCEWZPENX-UHFFFAOYSA-N 0 1 394.468 3.643 20 5 GHBDMN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1nc(-c2ccncc2)cs1 ZINC001474697110 1074521506 /nfs/dbraw/zinc/52/15/06/1074521506.db2.gz ORHKKUKZRQSXJV-CYBMUJFWSA-N 0 1 397.460 3.620 20 5 GHBDMN CC1(C)C[C@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCS1 ZINC001475727953 1075009754 /nfs/dbraw/zinc/00/97/54/1075009754.db2.gz HPVAKNOEBCWYCG-SECBINFHSA-N 0 1 399.321 3.854 20 5 GHBDMN C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830825142 604795538 /nfs/dbraw/zinc/79/55/38/604795538.db2.gz BZCUEHFPGVJQRT-HNNXBMFYSA-N 0 1 388.729 3.923 20 5 GHBDMN C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830825142 604795540 /nfs/dbraw/zinc/79/55/40/604795540.db2.gz BZCUEHFPGVJQRT-HNNXBMFYSA-N 0 1 388.729 3.923 20 5 GHBDMN C[C@H](C(=O)[O-])[C@@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1 ZINC000833408762 604921663 /nfs/dbraw/zinc/92/16/63/604921663.db2.gz VKDJSEUKQCALBS-SCLBCKFNSA-N 0 1 381.388 3.801 20 5 GHBDMN O=[N+]([O-])c1ccccc1CS(=O)(=O)Nc1ccc(F)cc1C(F)(F)F ZINC000180817366 837572850 /nfs/dbraw/zinc/57/28/50/837572850.db2.gz SLHUGAROAADGFP-UHFFFAOYSA-N 0 1 378.303 3.695 20 5 GHBDMN Cc1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1NC(=O)C(C)(C)C ZINC000120249735 834982665 /nfs/dbraw/zinc/98/26/65/834982665.db2.gz RDKOYQCBAUTKRZ-UHFFFAOYSA-N 0 1 397.478 3.750 20 5 GHBDMN CC[C@H](N[C@@H]1CC(=O)N(c2c(F)cccc2F)C1)c1cccc([N+](=O)[O-])c1 ZINC000536170516 835304758 /nfs/dbraw/zinc/30/47/58/835304758.db2.gz KOEJBBSITFQRJE-DYVFJYSZSA-N 0 1 375.375 3.719 20 5 GHBDMN O=[N+]([O-])c1cc(CN[C@@H](C[C@H]2CCOC2)c2ccccc2)c2c(c1)COCO2 ZINC000179015960 835311311 /nfs/dbraw/zinc/31/13/11/835311311.db2.gz AZHKBASRYZWRDV-QRWLVFNGSA-N 0 1 384.432 3.719 20 5 GHBDMN COc1ccccc1[C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)N1CCCCC1 ZINC000511247721 835694437 /nfs/dbraw/zinc/69/44/37/835694437.db2.gz OJQWYZYINOBVQK-LJQANCHMSA-N 0 1 398.463 3.952 20 5 GHBDMN COCCC1(CN[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000274907369 835799655 /nfs/dbraw/zinc/79/96/55/835799655.db2.gz IUXQPUTUTTTXFM-LJQANCHMSA-N 0 1 386.496 3.994 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C)c1cccc(OC(F)F)c1 ZINC000179585996 835887052 /nfs/dbraw/zinc/88/70/52/835887052.db2.gz ALACDJDCNOCJST-GFCCVEGCSA-N 0 1 379.363 3.794 20 5 GHBDMN COc1ccc(CN(Cc2ccccc2)C[C@H](O)c2ccco2)cc1[N+](=O)[O-] ZINC000177161154 836081758 /nfs/dbraw/zinc/08/17/58/836081758.db2.gz LHQMGSOJAFPAFE-IBGZPJMESA-N 0 1 382.416 3.932 20 5 GHBDMN O=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000136519357 836095596 /nfs/dbraw/zinc/09/55/96/836095596.db2.gz LDCDWQZLAACGHD-UHFFFAOYSA-N 0 1 391.830 3.782 20 5 GHBDMN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@@H]1c1ccccc1Cl ZINC000582085254 836243678 /nfs/dbraw/zinc/24/36/78/836243678.db2.gz ZABIGUCTRRZKEJ-WMLDXEAASA-N 0 1 376.840 3.825 20 5 GHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000517038072 836307350 /nfs/dbraw/zinc/30/73/50/836307350.db2.gz QQGDKRZLXZRLDG-SUMDDJOVSA-N 0 1 376.416 3.879 20 5 GHBDMN Cc1ccc(-c2n[nH]c(NC(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)c2C)o1 ZINC000161519588 836356380 /nfs/dbraw/zinc/35/63/80/836356380.db2.gz DAILFASXGYYEFD-UHFFFAOYSA-N 0 1 392.375 3.633 20 5 GHBDMN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000180185820 836606874 /nfs/dbraw/zinc/60/68/74/836606874.db2.gz FKFVDUWTXINRBG-ZOCIIQOWSA-N 0 1 385.489 3.637 20 5 GHBDMN COc1ccc(Br)cc1CN(C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000549750401 844218424 /nfs/dbraw/zinc/21/84/24/844218424.db2.gz CSSVUYSYZTWZJT-UHFFFAOYSA-N 0 1 381.226 3.704 20 5 GHBDMN COc1ccc(CSCC(=O)Nc2ccc3c(C)[nH]nc3c2)cc1[N+](=O)[O-] ZINC000180341061 837148118 /nfs/dbraw/zinc/14/81/18/837148118.db2.gz WYGJGBMKHZWVFR-UHFFFAOYSA-N 0 1 386.433 3.660 20 5 GHBDMN O=C(CCN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)NCc1ccccc1 ZINC000180345500 837167854 /nfs/dbraw/zinc/16/78/54/837167854.db2.gz CEADZHCAYYKHPW-QHCPKHFHSA-N 0 1 389.455 3.980 20 5 GHBDMN COc1cccc(-c2nc(C)c(C(=O)OCCc3ccc([N+](=O)[O-])cc3)[nH]2)c1 ZINC000180379919 837207499 /nfs/dbraw/zinc/20/74/99/837207499.db2.gz CDHWYRRSBXJCQC-UHFFFAOYSA-N 0 1 381.388 3.701 20 5 GHBDMN COc1cc(OC)c(NC(=O)CN[C@H](C)c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000180424404 837250496 /nfs/dbraw/zinc/25/04/96/837250496.db2.gz CGZMJSWENDTBBJ-LLVKDONJSA-N 0 1 393.827 3.555 20 5 GHBDMN CN(CCNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000177045220 837853283 /nfs/dbraw/zinc/85/32/83/837853283.db2.gz NDALGIDOEZHIBE-UHFFFAOYSA-N 0 1 399.344 3.615 20 5 GHBDMN C[C@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(-c2cccnc2)cc1 ZINC000181276861 837928089 /nfs/dbraw/zinc/92/80/89/837928089.db2.gz GNMDOGHDNOJTEY-AWEZNQCLSA-N 0 1 376.416 3.607 20 5 GHBDMN COc1cc(CN2CCC[C@H](OC)CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000378633290 839451318 /nfs/dbraw/zinc/45/13/18/839451318.db2.gz MLBHNXIMPUWYDM-ZDUSSCGKSA-N 0 1 392.374 3.545 20 5 GHBDMN Cc1ccc(Sc2ccc(CN[C@@H](C)C(=O)NCCF)cc2[N+](=O)[O-])cc1 ZINC000500424406 840456450 /nfs/dbraw/zinc/45/64/50/840456450.db2.gz DWKFODZQLXMUBM-AWEZNQCLSA-N 0 1 391.468 3.618 20 5 GHBDMN C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1ccc(Cl)s1 ZINC000176151451 844559406 /nfs/dbraw/zinc/55/94/06/844559406.db2.gz BNMIJMPXKWLVQV-QMMMGPOBSA-N 0 1 377.813 3.837 20 5 GHBDMN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCCS(=O)(=O)c1ccc(F)cc1)CCCC2 ZINC000417310667 840707466 /nfs/dbraw/zinc/70/74/66/840707466.db2.gz MKRSNUMHOQXSFZ-IBGZPJMESA-N 0 1 392.452 3.565 20 5 GHBDMN COc1ccc(NC(=O)CN[C@@H](C)c2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000120581520 844575952 /nfs/dbraw/zinc/57/59/52/844575952.db2.gz XRXZRIHTBAQHKD-NSHDSACASA-N 0 1 397.353 3.912 20 5 GHBDMN CN(C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)c1ccnc2c1cccc2[N+](=O)[O-] ZINC000432135087 840816519 /nfs/dbraw/zinc/81/65/19/840816519.db2.gz XPQZBUCOWJTIMT-KKSFZXQISA-N 0 1 377.448 3.667 20 5 GHBDMN O=[N+]([O-])c1ccc(O)cc1CN(CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000511626777 840856970 /nfs/dbraw/zinc/85/69/70/840856970.db2.gz LUGOXJMUDIMARF-UHFFFAOYSA-N 0 1 385.247 3.992 20 5 GHBDMN CCN(C(=O)c1ccc([N+](=O)[O-])c([O-])c1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000162490903 841201178 /nfs/dbraw/zinc/20/11/78/841201178.db2.gz KURJNAJXSODOID-MAUKXSAKSA-N 0 1 383.448 3.598 20 5 GHBDMN Cc1ccc(CN2CCN(c3cccc([N+](=O)[O-])c3)CC2)c(-c2ccnn2C)c1 ZINC000581554316 841658701 /nfs/dbraw/zinc/65/87/01/841658701.db2.gz CLJIARPCYQLLIO-UHFFFAOYSA-N 0 1 391.475 3.626 20 5 GHBDMN Cc1cc(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)ccc1[N+](=O)[O-] ZINC000045592581 841721723 /nfs/dbraw/zinc/72/17/23/841721723.db2.gz VMICLWYKPJMAKN-UHFFFAOYSA-N 0 1 387.867 3.951 20 5 GHBDMN Cc1nc(CN2CCN(c3cc(C)nc4ccc([N+](=O)[O-])cc43)CC2)cs1 ZINC000302198230 861234873 /nfs/dbraw/zinc/23/48/73/861234873.db2.gz UAXHZHCVDFTCPX-UHFFFAOYSA-N 0 1 383.477 3.539 20 5 GHBDMN CC(=O)Nc1cc(Cl)ccc1NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000106008705 841857250 /nfs/dbraw/zinc/85/72/50/841857250.db2.gz XOEKLXYBKYQBOD-UHFFFAOYSA-N 0 1 397.840 3.624 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133261 841858431 /nfs/dbraw/zinc/85/84/31/841858431.db2.gz UYXOMPVYXUXFHN-PGRDOPGGSA-N 0 1 397.475 3.941 20 5 GHBDMN O=[N+]([O-])c1cc(CN[C@@H]2CCN(c3ccccc3Br)C2)cs1 ZINC000111408190 842065997 /nfs/dbraw/zinc/06/59/97/842065997.db2.gz YZDCIOSTYWOTNR-GFCCVEGCSA-N 0 1 382.283 3.787 20 5 GHBDMN CN(C)[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(F)cc1 ZINC000048053038 842077564 /nfs/dbraw/zinc/07/75/64/842077564.db2.gz FJZUCIFPYKEESA-MRXNPFEDSA-N 0 1 380.807 3.812 20 5 GHBDMN C[C@@H](CN1CCCCC1)NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000548361791 842793058 /nfs/dbraw/zinc/79/30/58/842793058.db2.gz HASNAUNWOXNMJO-ZDUSSCGKSA-N 0 1 399.441 3.564 20 5 GHBDMN Cc1cc(N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000567980758 842914197 /nfs/dbraw/zinc/91/41/97/842914197.db2.gz LVCDSAZKHXYMOA-CVEARBPZSA-N 0 1 375.469 3.692 20 5 GHBDMN CC(=O)c1ccc(NC[C@@H]2CN(Cc3ccccc3)CCCO2)c([N+](=O)[O-])c1 ZINC000302780522 861360924 /nfs/dbraw/zinc/36/09/24/861360924.db2.gz IOOWNLICFJXSJH-LJQANCHMSA-N 0 1 383.448 3.500 20 5 GHBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000555593759 861372992 /nfs/dbraw/zinc/37/29/92/861372992.db2.gz OBOXAJHTLPDYSV-CQSZACIVSA-N 0 1 397.410 3.517 20 5 GHBDMN Cc1c(CN(C)C[C@H](O)COc2ccc(C(F)(F)F)cc2)cccc1[N+](=O)[O-] ZINC000510678137 843183917 /nfs/dbraw/zinc/18/39/17/843183917.db2.gz BCFSTVDKVBMSQW-INIZCTEOSA-N 0 1 398.381 3.794 20 5 GHBDMN O=C(N=c1ccc2cc([N+](=O)[O-])ccc2[nH]1)c1cc(-c2ccccc2F)on1 ZINC000610653799 843412428 /nfs/dbraw/zinc/41/24/28/843412428.db2.gz WLAFOJGAJZCPEV-UHFFFAOYSA-N 0 1 378.319 3.611 20 5 GHBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000181889025 843500477 /nfs/dbraw/zinc/50/04/77/843500477.db2.gz BXYMQYXCBKRFGU-OAHLLOKOSA-N 0 1 381.436 3.814 20 5 GHBDMN CCOc1ccccc1[C@H](CC)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000509751225 843895538 /nfs/dbraw/zinc/89/55/38/843895538.db2.gz MNOIIRQEROAZBB-AWEZNQCLSA-N 0 1 382.413 3.562 20 5 GHBDMN CC1(C)C[C@@H](N[C@@H]2CCN(c3ccccc3F)C2=O)c2cc([N+](=O)[O-])ccc21 ZINC000433286541 843984687 /nfs/dbraw/zinc/98/46/87/843984687.db2.gz OCMHWHOLBJQXDI-QZTJIDSGSA-N 0 1 383.423 3.851 20 5 GHBDMN CCOC(=O)c1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)ccc1Cl ZINC000603987065 861509793 /nfs/dbraw/zinc/50/97/93/861509793.db2.gz HPKGKMMKBBDGQP-UHFFFAOYSA-N 0 1 398.824 3.534 20 5 GHBDMN O=C1CC2(CN1)CCN(Cc1ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c1)CC2 ZINC000538736442 845600825 /nfs/dbraw/zinc/60/08/25/845600825.db2.gz FKOCRIKOERIWQW-UHFFFAOYSA-N 0 1 399.422 3.628 20 5 GHBDMN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1ccsc1Br ZINC000511035877 845799869 /nfs/dbraw/zinc/79/98/69/845799869.db2.gz ZEMQQQBHSNOUGU-JTQLQIEISA-N 0 1 398.282 3.926 20 5 GHBDMN Cn1ccnc1[C@H](NC[C@@H]1CCO[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000277364412 845842351 /nfs/dbraw/zinc/84/23/51/845842351.db2.gz FJAUMJLNMOMFCM-TYPHKJRUSA-N 0 1 392.459 3.785 20 5 GHBDMN O=C([O-])[C@@H]1C[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1C(F)(F)F ZINC000263481798 846261518 /nfs/dbraw/zinc/26/15/18/846261518.db2.gz GLZGQRUNJCAUIG-ZIAGYGMSSA-N 0 1 384.310 3.550 20 5 GHBDMN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)C1CCN(CCC(F)(F)F)CC1 ZINC000421552066 846348154 /nfs/dbraw/zinc/34/81/54/846348154.db2.gz JWBVRFWDEHUJQH-UHFFFAOYSA-N 0 1 387.402 3.700 20 5 GHBDMN CC[C@H](CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1ccc(OC)cc1 ZINC000503032881 846733461 /nfs/dbraw/zinc/73/34/61/846733461.db2.gz VIMRGZKIBBIRRJ-CYBMUJFWSA-N 0 1 395.419 3.911 20 5 GHBDMN COc1ccc(C[C@H](C)NC2(c3ccc(Cl)cc3)COC2)c([N+](=O)[O-])c1 ZINC001170311274 881341513 /nfs/dbraw/zinc/34/15/13/881341513.db2.gz ZVUHZLUYKZTALV-ZDUSSCGKSA-N 0 1 376.840 3.703 20 5 GHBDMN COc1cccc([C@@H]2[C@@H](NC(=O)c3cccc(C)c3[N+](=O)[O-])CCN2C2CC2)c1 ZINC000183248405 846831527 /nfs/dbraw/zinc/83/15/27/846831527.db2.gz DYUKCQLBCKWWIO-PZJWPPBQSA-N 0 1 395.459 3.620 20 5 GHBDMN CNC(=O)c1cccc(CNCc2ccc(-c3ccccc3[N+](=O)[O-])s2)c1 ZINC000237053113 846879741 /nfs/dbraw/zinc/87/97/41/846879741.db2.gz FQQCHLNQGIULLH-UHFFFAOYSA-N 0 1 381.457 3.973 20 5 GHBDMN CCCc1[nH]nc(C(=O)N2CCC(c3cccc(Cl)c3)CC2)c1[N+](=O)[O-] ZINC000478231937 847007247 /nfs/dbraw/zinc/00/72/47/847007247.db2.gz LTJZOYOAVGMBSL-UHFFFAOYSA-N 0 1 376.844 3.944 20 5 GHBDMN O=C(Nc1cccc(-n2cc(C(F)(F)F)cn2)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000478647990 847182706 /nfs/dbraw/zinc/18/27/06/847182706.db2.gz VENVHYKUODRRDW-UHFFFAOYSA-N 0 1 392.293 3.757 20 5 GHBDMN CC[C@H](C)c1nc([C@H](C)NC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)n[nH]1 ZINC000599834825 861767317 /nfs/dbraw/zinc/76/73/17/861767317.db2.gz ITENENPSQNAWAD-QWRGUYRKSA-N 0 1 383.412 3.657 20 5 GHBDMN Cc1ccc([C@@H](C)N[C@H](C)c2cc(S(N)(=O)=O)c(C)cc2C)cc1[N+](=O)[O-] ZINC000479410186 847634590 /nfs/dbraw/zinc/63/45/90/847634590.db2.gz RAOKFEKUZBWJHN-HUUCEWRRSA-N 0 1 391.493 3.579 20 5 GHBDMN CCN(C)[C@H](C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000479419101 847638790 /nfs/dbraw/zinc/63/87/90/847638790.db2.gz HBALNWCYYPLXCS-SFHVURJKSA-N 0 1 375.856 3.600 20 5 GHBDMN C[C@H]1CN(Cc2cccc(Nc3ncnc4ccc([N+](=O)[O-])cc43)c2)C[C@H](C)O1 ZINC000611706880 848042716 /nfs/dbraw/zinc/04/27/16/848042716.db2.gz MIJZOWTWTCTXSJ-GJZGRUSLSA-N 0 1 393.447 3.891 20 5 GHBDMN COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000178680844 848478354 /nfs/dbraw/zinc/47/83/54/848478354.db2.gz NWRSRPJLEZIMBX-HUUCEWRRSA-N 0 1 399.447 3.676 20 5 GHBDMN CC[C@@H](N[C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000161549943 848655463 /nfs/dbraw/zinc/65/54/63/848655463.db2.gz FHKPJDNWFOFXEK-IFXJQAMLSA-N 0 1 391.493 3.647 20 5 GHBDMN COc1cc(CNCCOc2cccc(Cl)c2Cl)c([N+](=O)[O-])cc1O ZINC000518760633 850072410 /nfs/dbraw/zinc/07/24/10/850072410.db2.gz GMVWFHSQGOYKRP-UHFFFAOYSA-N 0 1 387.219 3.784 20 5 GHBDMN CC[C@@H](C)c1nc([C@H](C)Nc2ncc([N+](=O)[O-])c(C)c2Br)n[nH]1 ZINC000486791701 850099211 /nfs/dbraw/zinc/09/92/11/850099211.db2.gz PBTOLUUQPRJLGT-APPZFPTMSA-N 0 1 383.250 3.865 20 5 GHBDMN CC[C@@H](C)c1nc([C@H](C)Nc2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)n[nH]1 ZINC000486797513 850107344 /nfs/dbraw/zinc/10/73/44/850107344.db2.gz MJXDXBNJILNMHJ-YPMHNXCESA-N 0 1 381.440 3.587 20 5 GHBDMN COc1cc(CN(C)Cc2cc(O)ccc2[N+](=O)[O-])c(SC)cc1OC ZINC000515220491 850802952 /nfs/dbraw/zinc/80/29/52/850802952.db2.gz VRFOBTHYVKMNHZ-UHFFFAOYSA-N 0 1 378.450 3.672 20 5 GHBDMN Cc1cc(OCC(=O)Nc2cccc3c2CN(CC(C)C)C3)ccc1[N+](=O)[O-] ZINC000435767274 850841016 /nfs/dbraw/zinc/84/10/16/850841016.db2.gz GEWYPMMWVKTMBR-UHFFFAOYSA-N 0 1 383.448 3.892 20 5 GHBDMN O=C(C[C@@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1)NCc1ccc(F)cc1 ZINC000515299238 850888029 /nfs/dbraw/zinc/88/80/29/850888029.db2.gz AVFWOKSBPKRILX-KRWDZBQOSA-N 0 1 385.439 3.652 20 5 GHBDMN CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(-c2ccccn2)n[nH]1 ZINC000505786901 851443799 /nfs/dbraw/zinc/44/37/99/851443799.db2.gz HSQPBEXAQNATAR-UHFFFAOYSA-N 0 1 384.421 3.529 20 5 GHBDMN Cc1c(Br)cc(C(=O)Nc2nc3ccc(F)cc3[nH]2)cc1[N+](=O)[O-] ZINC000488942704 851878505 /nfs/dbraw/zinc/87/85/05/851878505.db2.gz MKBGFSHNYMSXBI-UHFFFAOYSA-N 0 1 393.172 3.933 20 5 GHBDMN O=[N+]([O-])c1ccc(CN(Cc2c[nH]nc2-c2ccc3c(c2)OCO3)C2CC2)cc1 ZINC000507155613 852622573 /nfs/dbraw/zinc/62/25/73/852622573.db2.gz PFPXZGHVRAYTFN-UHFFFAOYSA-N 0 1 392.415 3.878 20 5 GHBDMN CN1CCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C2(CCCCC2)C1 ZINC000437041965 852662742 /nfs/dbraw/zinc/66/27/42/852662742.db2.gz SGFYPHMNKPBIDJ-UHFFFAOYSA-N 0 1 385.386 3.704 20 5 GHBDMN C[C@H]1CCC[N@@H+](Cc2ccccc2CNc2nccc(C(=O)[O-])c2[N+](=O)[O-])C1 ZINC000516653414 852842055 /nfs/dbraw/zinc/84/20/55/852842055.db2.gz CKYZPQGZQGNLJH-AWEZNQCLSA-N 0 1 384.436 3.532 20 5 GHBDMN CCN(CCNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C)CCC(F)(F)F ZINC000427420345 853087650 /nfs/dbraw/zinc/08/76/50/853087650.db2.gz KFAJZUKINQINCY-UHFFFAOYSA-N 0 1 375.391 3.524 20 5 GHBDMN COc1cccc([C@H](C)N2CCN(CCCOc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000507728627 853345519 /nfs/dbraw/zinc/34/55/19/853345519.db2.gz YXAUAFHSQFKHBI-SFHVURJKSA-N 0 1 399.491 3.751 20 5 GHBDMN NC(=O)c1cccc(NC[C@@H](c2cccc(Cl)c2)N2CCCC2)c1[N+](=O)[O-] ZINC000587192547 853648261 /nfs/dbraw/zinc/64/82/61/853648261.db2.gz ZDENHADKLXGZKF-KRWDZBQOSA-N 0 1 388.855 3.596 20 5 GHBDMN Cc1c(CN2CCSCC2)cccc1NC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000163925512 862607496 /nfs/dbraw/zinc/60/74/96/862607496.db2.gz BFVIXOFYUZOIGJ-UHFFFAOYSA-N 0 1 399.516 3.942 20 5 GHBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC(c3nc4ccccc4[nH]3)CC2)c1 ZINC000589494586 854908391 /nfs/dbraw/zinc/90/83/91/854908391.db2.gz HHONOSALLMGKRR-UHFFFAOYSA-N 0 1 394.431 3.637 20 5 GHBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN(C)C[C@@H]2CCCO[C@@H]2c2ccccc2)c1 ZINC000589499433 854911500 /nfs/dbraw/zinc/91/15/00/854911500.db2.gz QSTWWAHNXDYVNP-GHTZIAJQSA-N 0 1 398.459 3.981 20 5 GHBDMN Cc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(F)c(-c3nc[nH]n3)c2)cc1Cl ZINC001270861400 854968894 /nfs/dbraw/zinc/96/88/94/854968894.db2.gz OBBPRSDJOJIOAN-UHFFFAOYSA-N 0 1 375.747 3.733 20 5 GHBDMN CC[C@@](C)(O)CN(Cc1ccccc1)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589513560 854973269 /nfs/dbraw/zinc/97/32/69/854973269.db2.gz FSUMEXITMYYYRG-OAQYLSRUSA-N 0 1 386.448 3.545 20 5 GHBDMN C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000590035771 855244211 /nfs/dbraw/zinc/24/42/11/855244211.db2.gz AWYXFKBPUNWYEJ-GOSISDBHSA-N 0 1 395.503 3.995 20 5 GHBDMN CN(CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273409080 855349867 /nfs/dbraw/zinc/34/98/67/855349867.db2.gz HZTVDBUSJVJUIO-APWZRJJASA-N 0 1 387.411 3.525 20 5 GHBDMN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1cccs1)N(C)C ZINC000184648492 855413886 /nfs/dbraw/zinc/41/38/86/855413886.db2.gz XXPSIFIYMPMHQO-RDJZCZTQSA-N 0 1 375.494 3.644 20 5 GHBDMN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](c1cccs1)N(C)C ZINC000184648541 855414144 /nfs/dbraw/zinc/41/41/44/855414144.db2.gz XXPSIFIYMPMHQO-NVXWUHKLSA-N 0 1 375.494 3.644 20 5 GHBDMN COCC[N@@H+](CC(=O)[O-])Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000591269589 855874452 /nfs/dbraw/zinc/87/44/52/855874452.db2.gz GBTVCWLKBQBOME-UHFFFAOYSA-N 0 1 394.811 3.574 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C(=O)Nc2nc3ccc(C(F)(F)F)cc3[nH]2)c1 ZINC000153790059 856101011 /nfs/dbraw/zinc/10/10/11/856101011.db2.gz OYXGVONQNKFNNE-UHFFFAOYSA-N 0 1 380.282 3.751 20 5 GHBDMN O=C(CCNc1ccccc1[N+](=O)[O-])Nc1nc(-c2cc3ccccc3o2)n[nH]1 ZINC000485113144 856110297 /nfs/dbraw/zinc/11/02/97/856110297.db2.gz KUFSEAPVIFKWTF-UHFFFAOYSA-N 0 1 392.375 3.567 20 5 GHBDMN CCc1[nH]nc(C(=O)N2CCC(c3c(C)[nH]c4ccccc43)CC2)c1[N+](=O)[O-] ZINC000171804074 856270525 /nfs/dbraw/zinc/27/05/25/856270525.db2.gz ZRIXQUFPYQEDSI-UHFFFAOYSA-N 0 1 381.436 3.690 20 5 GHBDMN O=C(CNc1ccccc1[N+](=O)[O-])Nc1ccc2nc(-c3ccccn3)[nH]c2c1 ZINC000172016584 856321120 /nfs/dbraw/zinc/32/11/20/856321120.db2.gz BZYVSQUFFBMQAM-UHFFFAOYSA-N 0 1 388.387 3.584 20 5 GHBDMN C[C@@H]1COC[C@H]1N[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000905866572 856647491 /nfs/dbraw/zinc/64/74/91/856647491.db2.gz JXUOTNOMUOGBHA-NXOUGTEYSA-N 0 1 389.839 3.553 20 5 GHBDMN Cc1nc(C(C)C)sc1[C@@H](C)N(C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248457195 856679760 /nfs/dbraw/zinc/67/97/60/856679760.db2.gz MELYQINZJFDECE-HUUCEWRRSA-N 0 1 393.509 3.916 20 5 GHBDMN CC[C@](C)(NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1nc(C)cs1 ZINC000173376649 856896704 /nfs/dbraw/zinc/89/67/04/856896704.db2.gz NRDUKNJCXSBPSE-AWEZNQCLSA-N 0 1 389.886 3.617 20 5 GHBDMN COc1cccc([C@H]2[C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3C)CCN2C2CC2)c1 ZINC000245533144 856936524 /nfs/dbraw/zinc/93/65/24/856936524.db2.gz DHLGMJCYJFBENO-SFTDATJTSA-N 0 1 395.459 3.620 20 5 GHBDMN O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@H](c1c[nH]c2ccccc21)C(F)(F)F ZINC000508113192 856940591 /nfs/dbraw/zinc/94/05/91/856940591.db2.gz QPEBLGROLPRWQH-OAHLLOKOSA-N 0 1 399.350 3.658 20 5 GHBDMN COC(C)(C)CN[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000174262556 857238141 /nfs/dbraw/zinc/23/81/41/857238141.db2.gz BTMQRQOFLMNIRH-QGZVFWFLSA-N 0 1 391.855 3.943 20 5 GHBDMN O=C(CCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)Nc1ccccc1 ZINC000113346458 857439139 /nfs/dbraw/zinc/43/91/39/857439139.db2.gz DGBWTCKXHLASQS-UHFFFAOYSA-N 0 1 382.445 3.837 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C(=O)Nc2nc(-c3ccc(C)s3)ns2)c1 ZINC000066412730 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3.608 20 5 GHBDMN O=[N+]([O-])c1ccc2oc(CN3CCC[C@H]3Cn3cnc4ccccc43)nc2c1 ZINC000611281858 859681041 /nfs/dbraw/zinc/68/10/41/859681041.db2.gz IPOOGDWFGWPKKX-HNNXBMFYSA-N 0 1 377.404 3.750 20 5 GHBDMN COc1ccc(C[C@H](C)N2CCC(O)(c3ccccc3F)CC2)c([N+](=O)[O-])c1 ZINC001170345401 881456501 /nfs/dbraw/zinc/45/65/01/881456501.db2.gz JUSONYVUEHGYEE-HNNXBMFYSA-N 0 1 388.439 3.657 20 5 GHBDMN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000252736616 860006272 /nfs/dbraw/zinc/00/62/72/860006272.db2.gz YTSUEIQSUKKPLC-HKUYNNGSSA-N 0 1 385.489 3.882 20 5 GHBDMN COc1ccc2c(c1)CN(Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)CC2 ZINC000092507617 860064268 /nfs/dbraw/zinc/06/42/68/860064268.db2.gz CVKMPXICTDRYQJ-UHFFFAOYSA-N 0 1 378.432 3.562 20 5 GHBDMN Cc1cc(-c2noc(-c3ccn(-c4cccc([N+](=O)[O-])c4)n3)n2)cc2nc[nH]c21 ZINC000544987821 860102316 /nfs/dbraw/zinc/10/23/16/860102316.db2.gz HLZOHGZMZODIQS-UHFFFAOYSA-N 0 1 387.359 3.682 20 5 GHBDMN Cc1ccc([C@H](C)NCc2cnn3cc(Br)cnc23)cc1[N+](=O)[O-] ZINC000602561137 860112944 /nfs/dbraw/zinc/11/29/44/860112944.db2.gz DCMSHJGTBPZDFC-NSHDSACASA-N 0 1 390.241 3.559 20 5 GHBDMN CN1CC[C@H](CNC(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123854424 860116903 /nfs/dbraw/zinc/11/69/03/860116903.db2.gz ALKYBNXGSSURQE-KDOFPFPSSA-N 0 1 391.830 3.810 20 5 GHBDMN O=C(NC[C@@H]1CCCN(C/C=C/c2ccccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000092783899 860128790 /nfs/dbraw/zinc/12/87/90/860128790.db2.gz LMSLTNKXDHLWOA-NUCSPZLJSA-N 0 1 379.460 3.750 20 5 GHBDMN NC(=O)c1ccc(CN2Cc3ccccc3[C@@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000025458373 860177033 /nfs/dbraw/zinc/17/70/33/860177033.db2.gz AAHDKQJERRJIPP-OAQYLSRUSA-N 0 1 387.439 3.841 20 5 GHBDMN C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CC1 ZINC000520411672 881513924 /nfs/dbraw/zinc/51/39/24/881513924.db2.gz BIADNHZGLWWBLF-CYBMUJFWSA-N 0 1 389.839 3.830 20 5 GHBDMN CCc1[nH]nc(C(=O)N(CC)[C@@H](C)Cc2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-] ZINC000598454976 860320345 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QKDBQRSUWKKLIO-KRWDZBQOSA-N 0 1 390.871 3.842 20 5 GHBDMN CN(C(=O)c1ccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1)C1CCCCC1 ZINC000475606479 866801022 /nfs/dbraw/zinc/80/10/22/866801022.db2.gz IWDQUMSMBQRZDV-UHFFFAOYSA-N 0 1 397.431 3.957 20 5 GHBDMN CNc1ccc(C(=O)N2CCC[C@H](c3nc4ccc(C)cc4[nH]3)C2)cc1[N+](=O)[O-] ZINC000523343500 867139405 /nfs/dbraw/zinc/13/94/05/867139405.db2.gz FLPWSCBSTKNDFS-HNNXBMFYSA-N 0 1 393.447 3.841 20 5 GHBDMN CN(CCCN(C)C(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)Cc1ccco1 ZINC000553404665 867361004 /nfs/dbraw/zinc/36/10/04/867361004.db2.gz JSBACJLHYFLCJT-UHFFFAOYSA-N 0 1 399.369 3.801 20 5 GHBDMN Cc1ccc2nc([C@H]3CCCN3C(=O)NCCc3cccc([N+](=O)[O-])c3)[nH]c2c1 ZINC000534719020 867363668 /nfs/dbraw/zinc/36/36/68/867363668.db2.gz CHPZBBREYFRQJW-LJQANCHMSA-N 0 1 393.447 3.869 20 5 GHBDMN CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCCN(C)Cc1ccco1 ZINC000553740447 868027943 /nfs/dbraw/zinc/02/79/43/868027943.db2.gz LNSQJFHZVLEYQD-UHFFFAOYSA-N 0 1 391.493 3.894 20 5 GHBDMN CC(C)c1ccc(CNCc2ccnc(OC3CCOCC3)c2)cc1[N+](=O)[O-] ZINC000524171046 868686724 /nfs/dbraw/zinc/68/67/24/868686724.db2.gz PTVJAJOIHDCNTG-UHFFFAOYSA-N 0 1 385.464 3.961 20 5 GHBDMN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000446653795 868735313 /nfs/dbraw/zinc/73/53/13/868735313.db2.gz OFJAXVIPLRTCQV-LBPRGKRZSA-N 0 1 376.482 3.755 20 5 GHBDMN O=[N+]([O-])c1ccc(CNC[C@@H](c2ccccc2Cl)N2CCOCC2)c(F)c1 ZINC000479997777 868879849 /nfs/dbraw/zinc/87/98/49/868879849.db2.gz NHBVBOAMGVTXQS-IBGZPJMESA-N 0 1 393.846 3.550 20 5 GHBDMN Cc1c(Cl)cccc1S(=O)(=O)Nc1ccc([N+](=O)[O-])c2ncccc12 ZINC000462363126 869314195 /nfs/dbraw/zinc/31/41/95/869314195.db2.gz XFMRVYWCPOIMKL-UHFFFAOYSA-N 0 1 377.809 3.906 20 5 GHBDMN CC1(C)CN(C(=O)CCc2cccc([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000446062783 869330176 /nfs/dbraw/zinc/33/01/76/869330176.db2.gz OVMDHQPBTJFLJW-UHFFFAOYSA-N 0 1 381.476 3.650 20 5 GHBDMN CCOc1cc(-c2nc(Cc3ccccc3[N+](=O)[O-])no2)cc(Cl)c1O ZINC000443226446 869905026 /nfs/dbraw/zinc/90/50/26/869905026.db2.gz VQMQRVIKDXRWQA-UHFFFAOYSA-N 0 1 375.768 3.993 20 5 GHBDMN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](c1ccsc1)N(C)C ZINC000462755067 870003748 /nfs/dbraw/zinc/00/37/48/870003748.db2.gz TZMACCIIZXIWHA-CRAIPNDOSA-N 0 1 375.494 3.644 20 5 GHBDMN CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NCc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000525183574 870125302 /nfs/dbraw/zinc/12/53/02/870125302.db2.gz AEVULIHQTHSSCR-FQEVSTJZSA-N 0 1 394.475 3.646 20 5 GHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCn2c(cc3ccc(Cl)cc32)C1 ZINC000446722811 870264718 /nfs/dbraw/zinc/26/47/18/870264718.db2.gz JWDKQLYAIPOBAJ-UHFFFAOYSA-N 0 1 395.806 3.735 20 5 GHBDMN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000462922299 870452924 /nfs/dbraw/zinc/45/29/24/870452924.db2.gz BSCHQDUWJNUNAG-UZLBHIALSA-N 0 1 387.455 3.722 20 5 GHBDMN Cc1ccc([C@H](C)N[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000540145833 870599097 /nfs/dbraw/zinc/59/90/97/870599097.db2.gz ZADUVKZRCPJHAI-LCIZUOBNSA-N 0 1 389.402 3.804 20 5 GHBDMN CC[C@@H](CS(=O)(=O)c1ccccc1)N[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000540145216 870599493 /nfs/dbraw/zinc/59/94/93/870599493.db2.gz YPKMRAMHTBPRAS-HOTGVXAUSA-N 0 1 376.478 3.806 20 5 GHBDMN C[C@H]1CN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)[C@@H](C)CN1Cc1ccccc1 ZINC000766439344 870768865 /nfs/dbraw/zinc/76/88/65/870768865.db2.gz BOVYMMPMCFYIAA-HOTGVXAUSA-N 0 1 394.475 3.579 20 5 GHBDMN COCc1cccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c1 ZINC000181332683 870827505 /nfs/dbraw/zinc/82/75/05/870827505.db2.gz HBPKGDIMVUSVKN-UHFFFAOYSA-N 0 1 390.339 3.561 20 5 GHBDMN C[C@@H](C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000617736197 870839179 /nfs/dbraw/zinc/83/91/79/870839179.db2.gz MTBKZXAQRWDHFH-ZWKOTPCHSA-N 0 1 381.476 3.821 20 5 GHBDMN Cc1ccc([C@H](CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)N2CCCC2)o1 ZINC000170641128 870886155 /nfs/dbraw/zinc/88/61/55/870886155.db2.gz PUUSVIUKLYWQGC-SFHVURJKSA-N 0 1 384.436 3.630 20 5 GHBDMN CCCCN(C)C(=O)C1CCN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000181460807 871037365 /nfs/dbraw/zinc/03/73/65/871037365.db2.gz XBWUROXPLYQVBL-UHFFFAOYSA-N 0 1 384.480 3.926 20 5 GHBDMN C[C@@H](c1ccccc1)[C@H](CO)NCc1c(Br)cccc1[N+](=O)[O-] ZINC001168993884 871074775 /nfs/dbraw/zinc/07/47/75/871074775.db2.gz KINNQGYDGVMOTC-LRDDRELGSA-N 0 1 379.254 3.612 20 5 GHBDMN C[C@H]1CN(Cc2ccc(CNc3ncc([N+](=O)[O-])cc3Cl)cc2)C[C@H](C)O1 ZINC000301259052 871282202 /nfs/dbraw/zinc/28/22/02/871282202.db2.gz FKOIARYRYNAUMH-KBPBESRZSA-N 0 1 390.871 3.865 20 5 GHBDMN C[C@@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1Cl ZINC000447320810 871410338 /nfs/dbraw/zinc/41/03/38/871410338.db2.gz HAPUKVCMQFCQTJ-YPMHNXCESA-N 0 1 385.247 3.992 20 5 GHBDMN Cc1ccc([C@@H](C)NCC(=O)N(C)c2nc3ccccc3s2)cc1[N+](=O)[O-] ZINC000181810752 871497139 /nfs/dbraw/zinc/49/71/39/871497139.db2.gz KNEMJDVRSJHYNG-CYBMUJFWSA-N 0 1 384.461 3.827 20 5 GHBDMN COc1ccc([C@H](CNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])N2CCCC2)cc1 ZINC000804324998 871528060 /nfs/dbraw/zinc/52/80/60/871528060.db2.gz NQSDCGIMLUNWIK-SFHVURJKSA-N 0 1 386.408 3.761 20 5 GHBDMN Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2cccc3c2OCC[C@@H]3N(C)C)c1 ZINC000540595336 871656049 /nfs/dbraw/zinc/65/60/49/871656049.db2.gz ZRNMQHWXMCOAGU-KRWDZBQOSA-N 0 1 399.447 3.696 20 5 GHBDMN C[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2c1 ZINC000182176094 871986727 /nfs/dbraw/zinc/98/67/27/871986727.db2.gz DBOMNRKGHBELTF-OAHLLOKOSA-N 0 1 384.457 3.873 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCC[C@@H]1CC[C@@H]2C[C@@H]21 ZINC001194918314 872031675 /nfs/dbraw/zinc/03/16/75/872031675.db2.gz YVMRQFJRMJBTSW-IQJOONFLSA-N 0 1 379.265 3.616 20 5 GHBDMN C[C@H](CN1CCC(C)CC1)NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000618985660 872214262 /nfs/dbraw/zinc/21/42/62/872214262.db2.gz MLLZQMPVRJVBCH-MRXNPFEDSA-N 0 1 377.488 3.532 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCOC2(C1)CCCCCC2 ZINC000478048716 872423702 /nfs/dbraw/zinc/42/37/02/872423702.db2.gz WEEDVOGRCIGLIB-UHFFFAOYSA-N 0 1 375.469 3.657 20 5 GHBDMN CCc1cc(C2CC2)nc(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)n1 ZINC000191841740 882635568 /nfs/dbraw/zinc/63/55/68/882635568.db2.gz QSJVUWKILGEESP-UHFFFAOYSA-N 0 1 396.856 3.587 20 5 GHBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCC[C@H]([C@H](C)O)C2)cc1OC ZINC000541059427 872816792 /nfs/dbraw/zinc/81/67/92/872816792.db2.gz GIPXEAYLEHPOFD-JYJNAYRXSA-N 0 1 380.485 3.621 20 5 GHBDMN Cc1c(CC(=O)N2C[C@H](C)N(Cc3ccccc3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC001127247489 872910699 /nfs/dbraw/zinc/91/06/99/872910699.db2.gz XLNCUKZDHLJVDG-DLBZAZTESA-N 0 1 381.476 3.567 20 5 GHBDMN COc1cccc([C@H]2[C@@H](NCc3c(F)cccc3[N+](=O)[O-])CCN2C2CC2)c1 ZINC000619809939 873037446 /nfs/dbraw/zinc/03/74/46/873037446.db2.gz JOUOQCPQVSOBEW-FPOVZHCZSA-N 0 1 385.439 3.810 20 5 GHBDMN CCc1ccc([C@H](CN2CCOCC2)NCc2cccc([N+](=O)[O-])c2C)cc1 ZINC000478479050 873054471 /nfs/dbraw/zinc/05/44/71/873054471.db2.gz JLNGUCJBNULEMV-NRFANRHFSA-N 0 1 383.492 3.629 20 5 GHBDMN CCOc1ccc([C@H](C)NCc2cccc(N3CCOC3=O)c2)cc1[N+](=O)[O-] ZINC000768098152 873066595 /nfs/dbraw/zinc/06/65/95/873066595.db2.gz UIUBELMWUVTQGS-AWEZNQCLSA-N 0 1 385.420 3.801 20 5 GHBDMN CC(C)c1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)cc2)cc1[N+](=O)[O-] ZINC000527386947 873099206 /nfs/dbraw/zinc/09/92/06/873099206.db2.gz QVRVGXBITLDGKW-UHFFFAOYSA-N 0 1 396.491 3.718 20 5 GHBDMN CC1CCN(c2ccc(NS(=O)(=O)c3csc([N+](=O)[O-])c3)cc2)CC1 ZINC000768858436 873598004 /nfs/dbraw/zinc/59/80/04/873598004.db2.gz NUDMQHHHPVAOMV-UHFFFAOYSA-N 0 1 381.479 3.693 20 5 GHBDMN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000448773292 873948669 /nfs/dbraw/zinc/94/86/69/873948669.db2.gz HCASVWNJBILPMH-QFBILLFUSA-N 0 1 395.459 3.509 20 5 GHBDMN NC(=O)c1ccc(N2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)c([N+](=O)[O-])c1 ZINC000428713325 882781365 /nfs/dbraw/zinc/78/13/65/882781365.db2.gz SBXVUIVIABDSBI-HNNXBMFYSA-N 0 1 385.811 3.565 20 5 GHBDMN Cc1cc(C(=O)Nc2nc3ccc(Br)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000464577105 874110277 /nfs/dbraw/zinc/11/02/77/874110277.db2.gz SDPFOXHBBMGCKS-UHFFFAOYSA-N 0 1 375.182 3.794 20 5 GHBDMN CCN(CC1CC[NH+](Cc2cc([O-])ccc2[N+](=O)[O-])CC1)C(=O)OC(C)(C)C ZINC000769546185 874149112 /nfs/dbraw/zinc/14/91/12/874149112.db2.gz UPIYTNLZVRLYII-UHFFFAOYSA-N 0 1 393.484 3.769 20 5 GHBDMN COc1cc(CN2CCC[C@@H]2Cn2cnc3ccccc32)c([N+](=O)[O-])cc1F ZINC000464692044 874323689 /nfs/dbraw/zinc/32/36/89/874323689.db2.gz RKAURMWRLFKBDO-OAHLLOKOSA-N 0 1 384.411 3.757 20 5 GHBDMN O=[N+]([O-])c1cc(CNC2(c3ccc4c(c3)OCO4)CC2)ccc1Br ZINC000769934889 874375579 /nfs/dbraw/zinc/37/55/79/874375579.db2.gz YWUXRWPWWLLCAE-UHFFFAOYSA-N 0 1 391.221 3.865 20 5 GHBDMN O=[N+]([O-])c1ccn(C2CCN(Cc3cnc(CCc4ccccc4)s3)CC2)n1 ZINC000449289729 874699970 /nfs/dbraw/zinc/69/99/70/874699970.db2.gz VBTVLSJUUBKHTK-UHFFFAOYSA-N 0 1 397.504 3.870 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2cnn(CN3CCC(Cc4cccnc4)CC3)c2)cc1 ZINC000770664197 874809843 /nfs/dbraw/zinc/80/98/43/874809843.db2.gz FNUOIPXXQJFRBU-UHFFFAOYSA-N 0 1 377.448 3.766 20 5 GHBDMN O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1NCc1ncc(C(F)(F)F)cn1 ZINC000449469553 874898869 /nfs/dbraw/zinc/89/88/69/874898869.db2.gz HZYZYNOZGVMFSC-DOMZBBRYSA-N 0 1 380.370 3.905 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@@H]2COc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000771268190 875152788 /nfs/dbraw/zinc/15/27/88/875152788.db2.gz URSYFPIVMHXBHP-CYBMUJFWSA-N 0 1 392.843 3.778 20 5 GHBDMN COc1cccc(-c2nc(C)c(C(=O)OCc3cccc([N+](=O)[O-])c3C)[nH]2)c1 ZINC000772100809 875678869 /nfs/dbraw/zinc/67/88/69/875678869.db2.gz SGCCKDJECWVSDU-UHFFFAOYSA-N 0 1 381.388 3.967 20 5 GHBDMN Cc1ccc(CN[C@H]2CCCN([C@@H](C)c3ccc(F)cc3)C2=O)cc1[N+](=O)[O-] ZINC000549910538 875849196 /nfs/dbraw/zinc/84/91/96/875849196.db2.gz GCUBYZVDYREBBB-KXBFYZLASA-N 0 1 385.439 3.884 20 5 GHBDMN C[C@@H]1CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)C[C@H](c2ccsc2)O1 ZINC000450163330 876027901 /nfs/dbraw/zinc/02/79/01/876027901.db2.gz SUXZWKAXRKDIRY-KZULUSFZSA-N 0 1 398.444 3.649 20 5 GHBDMN O=C(Nc1nnc(Cc2ccc(F)cc2)s1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000106704337 876239029 /nfs/dbraw/zinc/23/90/29/876239029.db2.gz CUSJNRGTIQBLHH-UHFFFAOYSA-N 0 1 394.334 3.707 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H](C)c1ccc(N2CCCNC2=O)cc1 ZINC000850471063 876949822 /nfs/dbraw/zinc/94/98/22/876949822.db2.gz LUZREYGNTAXVBS-GJZGRUSLSA-N 0 1 398.463 3.935 20 5 GHBDMN Cc1ccc2nc([C@H]3CCCN3CC(=O)Nc3ccc([N+](=O)[O-])cc3C)[nH]c2c1 ZINC000451011481 877231515 /nfs/dbraw/zinc/23/15/15/877231515.db2.gz CVPMCVKLPSDAJT-LJQANCHMSA-N 0 1 393.447 3.864 20 5 GHBDMN CC[C@@](C)(O)CN(Cc1ccccc1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000615283888 877594042 /nfs/dbraw/zinc/59/40/42/877594042.db2.gz RNSCQTFGGUOKQK-OAQYLSRUSA-N 0 1 386.448 3.529 20 5 GHBDMN O=C(c1cc(-c2ccc(F)cc2)[nH]n1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000492814363 877611447 /nfs/dbraw/zinc/61/14/47/877611447.db2.gz ARCOGBMWUMEUMF-UHFFFAOYSA-N 0 1 380.379 3.929 20 5 GHBDMN C[C@H]1Cc2ccc(Br)cc2CN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000477627055 877944782 /nfs/dbraw/zinc/94/47/82/877944782.db2.gz JBFRONAMXJUJQQ-JTQLQIEISA-N 0 1 391.221 3.650 20 5 GHBDMN CCn1c2ccccc2nc1[C@H]1CCCN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776591618 878299025 /nfs/dbraw/zinc/29/90/25/878299025.db2.gz LGKMAIMZPIRQCL-UXHICEINSA-N 0 1 380.448 3.835 20 5 GHBDMN C[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc2c(c1)CCCO2 ZINC000852783170 878599006 /nfs/dbraw/zinc/59/90/06/878599006.db2.gz XGZOXWFPGVITOQ-GFCCVEGCSA-N 0 1 389.839 3.863 20 5 GHBDMN Cc1ccc(CNCc2ccc([N+](=O)[O-])c(Cl)c2)c(N2CCOCC2)c1 ZINC000761528204 879233954 /nfs/dbraw/zinc/23/39/54/879233954.db2.gz OJZCMGACKQTNSO-UHFFFAOYSA-N 0 1 375.856 3.683 20 5 GHBDMN CN1C(=O)C[C@H](NCc2ccc([N+](=O)[O-])c(Cl)c2)[C@H]1c1ccc(Cl)cc1 ZINC000761525932 879247633 /nfs/dbraw/zinc/24/76/33/879247633.db2.gz FORLXPHVBLHUDJ-MAUKXSAKSA-N 0 1 394.258 3.963 20 5 GHBDMN C[C@@H](OC(=O)COc1cccc([N+](=O)[O-])c1)c1nc2ccc(Cl)cc2[nH]1 ZINC000111990765 879604149 /nfs/dbraw/zinc/60/41/49/879604149.db2.gz INCPHMNMWXWSNF-SNVBAGLBSA-N 0 1 375.768 3.808 20 5 GHBDMN CSc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000790382061 879651265 /nfs/dbraw/zinc/65/12/65/879651265.db2.gz KNGDEAGPDPFPFK-UHFFFAOYSA-N 0 1 397.434 3.643 20 5 GHBDMN Cc1cc(C)c(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1Br ZINC000776742095 879821169 /nfs/dbraw/zinc/82/11/69/879821169.db2.gz QIKCPFMEOJSDCV-UHFFFAOYSA-N 0 1 391.268 3.836 20 5 GHBDMN Cc1cc(S(=O)(=O)Nc2ccc3[nH]c(-c4ccco4)nc3c2)ccc1[N+](=O)[O-] ZINC000531433121 879828215 /nfs/dbraw/zinc/82/82/15/879828215.db2.gz JTSNWNCRKLHIOY-UHFFFAOYSA-N 0 1 398.400 3.840 20 5 GHBDMN Cn1cc([N+](=O)[O-])cc1C(=O)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000531494343 879965549 /nfs/dbraw/zinc/96/55/49/879965549.db2.gz UHVAXGARMDWYDA-UHFFFAOYSA-N 0 1 396.491 3.594 20 5 GHBDMN CCCCc1nc(C(=O)OCC)c(NC(=O)c2cc([N+](=O)[O-])cc(C)c2F)[nH]1 ZINC000791021011 880151618 /nfs/dbraw/zinc/15/16/18/880151618.db2.gz PTJWNXYTNROVKM-UHFFFAOYSA-N 0 1 392.387 3.537 20 5 GHBDMN CCOc1ccc([C@@H](C)N2CCC(OCCOC(C)C)CC2)cc1[N+](=O)[O-] ZINC000453347832 880822021 /nfs/dbraw/zinc/82/20/21/880822021.db2.gz GINFOEPZHIQXLG-MRXNPFEDSA-N 0 1 380.485 3.961 20 5 GHBDMN CC(C)(C)[C@@H](NCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(F)cc1 ZINC000919941540 881218757 /nfs/dbraw/zinc/21/87/57/881218757.db2.gz JECYCDKYFVUGFC-KRWDZBQOSA-N 0 1 385.395 3.664 20 5 GHBDMN Cc1[nH]nc(C(=O)N2CCC(c3nc(-c4ccccc4)cs3)CC2)c1[N+](=O)[O-] ZINC000609521754 883299120 /nfs/dbraw/zinc/29/91/20/883299120.db2.gz GPBVHFCXKMNRQI-UHFFFAOYSA-N 0 1 397.460 3.770 20 5 GHBDMN Cc1ccc2nc(CNC(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)[nH]c2c1 ZINC000466770665 884068174 /nfs/dbraw/zinc/06/81/74/884068174.db2.gz YKWISRGVUQIHKW-UHFFFAOYSA-N 0 1 391.334 3.703 20 5 GHBDMN O=[N+]([O-])c1ccccc1/C=C/CN1CC[C@@H](c2nccc(C(F)(F)F)n2)C1 ZINC000897615982 884135939 /nfs/dbraw/zinc/13/59/39/884135939.db2.gz GMSFRRFGPAYGMM-LYKUJDHUSA-N 0 1 378.354 3.906 20 5 GHBDMN COc1ccc(C[C@@H](C)CN(C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])cc1 ZINC000153257763 884308737 /nfs/dbraw/zinc/30/87/37/884308737.db2.gz TWLPFDPKOLSOLD-OAHLLOKOSA-N 0 1 385.464 3.661 20 5 GHBDMN COc1cccc([C@H](O)C2CCN(Cc3ccc(OC)c([N+](=O)[O-])c3)CC2)c1 ZINC000860143882 884366965 /nfs/dbraw/zinc/36/69/65/884366965.db2.gz SZYUWIATEFJYFB-OAQYLSRUSA-N 0 1 386.448 3.558 20 5 GHBDMN CSc1ccc(S(=O)(=O)Nc2cc(F)cc([N+](=O)[O-])c2)cc1Cl ZINC000475829216 884594719 /nfs/dbraw/zinc/59/47/19/884594719.db2.gz QYGOBRGAXWCZIB-UHFFFAOYSA-N 0 1 376.818 3.910 20 5 GHBDMN Cc1c(NS(=O)(=O)c2ccc(C(=O)C(C)(C)C)cc2)cccc1[N+](=O)[O-] ZINC000762592209 886481691 /nfs/dbraw/zinc/48/16/91/886481691.db2.gz BCDQJGNYSJQFIW-UHFFFAOYSA-N 0 1 376.434 3.933 20 5 GHBDMN CN(C)C[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000863038253 886838848 /nfs/dbraw/zinc/83/88/48/886838848.db2.gz SMOWZDUOKONPGL-AWEZNQCLSA-N 0 1 376.284 3.548 20 5 GHBDMN O=[N+]([O-])c1cc(Br)ccc1CN1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000322464662 887540308 /nfs/dbraw/zinc/54/03/08/887540308.db2.gz MRRAYJLACZCAAM-BFYDXBDKSA-N 0 1 383.286 3.873 20 5 GHBDMN COc1cc(CNCc2ccc([C@H](C)O)cc2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272517446 887619452 /nfs/dbraw/zinc/61/94/52/887619452.db2.gz XVOSBMQXCFFZOH-LBPRGKRZSA-N 0 1 396.390 3.590 20 5 GHBDMN O=[N+]([O-])c1ccc(CN2CC[C@](CO)(Cc3ccc(F)cc3)C2)cc1Cl ZINC000809791453 887844275 /nfs/dbraw/zinc/84/42/75/887844275.db2.gz ZGUCJNZUDFRUGP-IBGZPJMESA-N 0 1 378.831 3.814 20 5 GHBDMN C[C@H](CC(F)(F)F)NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809831598 887850438 /nfs/dbraw/zinc/85/04/38/887850438.db2.gz GUJRPAQKFWQDFO-RXMQYKEDSA-N 0 1 381.159 3.521 20 5 GHBDMN O=C(Nc1nc2cc(Cl)cc(Cl)c2[nH]1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001131904138 887895026 /nfs/dbraw/zinc/89/50/26/887895026.db2.gz YHYSNSKYVFJGOT-UHFFFAOYSA-N 0 1 395.158 3.759 20 5 GHBDMN C[C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1Cl)N1CCc2ccccc2C1 ZINC000809912574 887934376 /nfs/dbraw/zinc/93/43/76/887934376.db2.gz HTJQZYFGPVZHBX-CYBMUJFWSA-N 0 1 388.855 3.817 20 5 GHBDMN COc1ccc(C=C(C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1F ZINC000810343860 888442077 /nfs/dbraw/zinc/44/20/77/888442077.db2.gz VSWQRCXMLJNTMV-FLIBITNWSA-N 0 1 397.366 3.570 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(Cc1ccccc1)C1(CO)CCCC1 ZINC001170614041 888801481 /nfs/dbraw/zinc/80/14/81/888801481.db2.gz GSGPWELYGRRZAO-UHFFFAOYSA-N 0 1 397.475 3.649 20 5 GHBDMN CN(C)[C@H](CNC(=S)Nc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000747660406 889026470 /nfs/dbraw/zinc/02/64/70/889026470.db2.gz KAVAZFSFFJTQGJ-MRXNPFEDSA-N 0 1 378.885 3.838 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N(C)CCCCc1ccccc1 ZINC000532920185 889333563 /nfs/dbraw/zinc/33/35/63/889333563.db2.gz XYMIWRFRFKRFIZ-INIZCTEOSA-N 0 1 385.464 3.885 20 5 GHBDMN C[C@H](c1ccncc1)N1CCC(NC(=S)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000747717700 889664601 /nfs/dbraw/zinc/66/46/01/889664601.db2.gz PLONXSLNAKSBOS-CQSZACIVSA-N 0 1 385.493 3.502 20 5 GHBDMN O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1NC[C@@H](c1ccco1)N1CCCCC1 ZINC000916986930 890689573 /nfs/dbraw/zinc/68/95/73/890689573.db2.gz OUXXOGMVIFKNKQ-IBGZPJMESA-N 0 1 398.463 3.719 20 5 GHBDMN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cccc(COc3ccccc3)c2)c1 ZINC000917763345 892545580 /nfs/dbraw/zinc/54/55/80/892545580.db2.gz IQDINGDJKDYBKP-UHFFFAOYSA-N 0 1 384.413 3.975 20 5 GHBDMN C[C@@H]1CN(C(=O)c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)[C@H](C)CN1C ZINC000509684018 892785086 /nfs/dbraw/zinc/78/50/86/892785086.db2.gz JVVFBTRSLCVSFL-HUUCEWRRSA-N 0 1 385.489 3.911 20 5 GHBDMN CC(=O)Nc1ccc2c(CN[C@@H](C)c3cccc([N+](=O)[O-])c3)cc(=O)oc2c1 ZINC000917938794 892854484 /nfs/dbraw/zinc/85/44/84/892854484.db2.gz NQHCLSBZHQAIQL-LBPRGKRZSA-N 0 1 381.388 3.510 20 5 GHBDMN O=C(NC[C@@H](c1cccs1)N1CCCC1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778221427 893379743 /nfs/dbraw/zinc/37/97/43/893379743.db2.gz MKDKUWPYIYJGLX-HNNXBMFYSA-N 0 1 395.431 3.701 20 5 GHBDMN Cn1ccnc1[C@@H](NCCc1c[nH]c2cc(F)ccc12)c1ccc([N+](=O)[O-])cc1 ZINC000563229135 893501570 /nfs/dbraw/zinc/50/15/70/893501570.db2.gz AJCOOAQRQQYGBM-FQEVSTJZSA-N 0 1 393.422 3.870 20 5 GHBDMN Cc1c(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cccc1OCC(F)(F)F ZINC000194626975 893615125 /nfs/dbraw/zinc/61/51/25/893615125.db2.gz YTBKLAXEVSSDPG-UHFFFAOYSA-N 0 1 390.339 3.645 20 5 GHBDMN CN(C)[C@@H](CNC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC001137123102 893732030 /nfs/dbraw/zinc/73/20/30/893732030.db2.gz FNYDJZALLRLLRD-KRWDZBQOSA-N 0 1 396.274 3.863 20 5 GHBDMN COc1cc(COC(=O)c2ccc([N+](=O)[O-])[nH]2)cc(Cl)c1OC(F)F ZINC000918503829 893812097 /nfs/dbraw/zinc/81/20/97/893812097.db2.gz AQQDWBSPSVAVII-UHFFFAOYSA-N 0 1 376.699 3.543 20 5 GHBDMN COCCN(Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C1CCCC1 ZINC000877989851 893932075 /nfs/dbraw/zinc/93/20/75/893932075.db2.gz GLJWTHAFYFTRKA-UHFFFAOYSA-N 0 1 380.832 3.689 20 5 GHBDMN COc1ccccc1[C@@H]1CCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000878122077 894035356 /nfs/dbraw/zinc/03/53/56/894035356.db2.gz WFZBHRDGVMKZTN-CQSZACIVSA-N 0 1 380.404 3.643 20 5 GHBDMN CC(C)CN1Cc2cccc(NC(=O)c3cc4nsnc4c([N+](=O)[O-])c3)c2C1 ZINC000778390650 894859299 /nfs/dbraw/zinc/85/92/99/894859299.db2.gz CVXDYNDKAVRVLF-UHFFFAOYSA-N 0 1 397.460 3.823 20 5 GHBDMN C[C@@]1(CNCc2cc([N+](=O)[O-])ccc2OC(F)F)OCCc2sccc21 ZINC000564689441 895184479 /nfs/dbraw/zinc/18/44/79/895184479.db2.gz KBLWABKWWJRUPB-KRWDZBQOSA-N 0 1 384.404 3.835 20 5 GHBDMN Cc1ccc([C@H](CNC(=O)c2cccc([N+](=O)[O-])c2Cl)N2CCCC2)o1 ZINC000816915261 895200859 /nfs/dbraw/zinc/20/08/59/895200859.db2.gz UUJCYZMUPOVZFV-HNNXBMFYSA-N 0 1 377.828 3.717 20 5 GHBDMN O=[N+]([O-])c1ccc([C@@H](NC2CCN(Cc3ccncc3)CC2)C(F)(F)F)cc1 ZINC000565088942 895384446 /nfs/dbraw/zinc/38/44/46/895384446.db2.gz LWJCLOJGJHDAKT-GOSISDBHSA-N 0 1 394.397 3.847 20 5 GHBDMN Cc1nccn1-c1ccc([C@@H](C)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000565460636 895647252 /nfs/dbraw/zinc/64/72/52/895647252.db2.gz QFMRKLIWPIKQST-CYBMUJFWSA-N 0 1 376.420 3.816 20 5 GHBDMN C[C@H]1C[C@H]1c1ccc(CNS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)o1 ZINC001185616385 913992925 /nfs/dbraw/zinc/99/29/25/913992925.db2.gz ZHKWPIKPTKVDMD-GZMMTYOYSA-N 0 1 388.804 3.582 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2ccc(CN3CCC[C@@H]([C@@H](O)C(F)(F)F)C3)o2)c1 ZINC000565814005 895903898 /nfs/dbraw/zinc/90/38/98/895903898.db2.gz VNAFUVFJJUORNK-CXAGYDPISA-N 0 1 384.354 3.990 20 5 GHBDMN O=[N+]([O-])c1cc(CNC[C@H](O)c2c(F)cccc2F)cc(C(F)(F)F)c1 ZINC000819266311 896553357 /nfs/dbraw/zinc/55/33/57/896553357.db2.gz CKKPCSARDRZMNM-AWEZNQCLSA-N 0 1 376.281 3.715 20 5 GHBDMN O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@H](c2ccco2)N2CCCC2)c1 ZINC000131301472 897400165 /nfs/dbraw/zinc/40/01/65/897400165.db2.gz IPOFZBBAENOWGD-OAHLLOKOSA-N 0 1 381.379 3.716 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)Nc2c(O)cccc2Cl)c1 ZINC000821111325 897714324 /nfs/dbraw/zinc/71/43/24/897714324.db2.gz HWPYOYHTFYUYRG-UHFFFAOYSA-N 0 1 381.168 3.547 20 5 GHBDMN Cc1c([N+](=O)[O-])ccc(F)c1NS(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000800051980 898538959 /nfs/dbraw/zinc/53/89/59/898538959.db2.gz CJIDZNPHKNOVJI-UHFFFAOYSA-N 0 1 393.421 3.967 20 5 GHBDMN Cc1ccc2nc([C@@H]3CCCN3C(=O)Nc3ccc(N)c([N+](=O)[O-])c3)[nH]c2c1 ZINC000823997596 899346484 /nfs/dbraw/zinc/34/64/84/899346484.db2.gz DINPFOHHGWUTHJ-INIZCTEOSA-N 0 1 380.408 3.731 20 5 GHBDMN Cc1cc(-c2noc(-c3cc(=O)[nH]c4ccc([N+](=O)[O-])cc43)n2)cc2nc[nH]c21 ZINC000571577184 899914576 /nfs/dbraw/zinc/91/45/76/899914576.db2.gz WLTNKMHPOALRKY-UHFFFAOYSA-N 0 1 388.343 3.750 20 5 GHBDMN O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000045293803 900148500 /nfs/dbraw/zinc/14/85/00/900148500.db2.gz GNUOAVJKASMQFC-LJQANCHMSA-N 0 1 387.867 3.744 20 5 GHBDMN CN(Cc1ccccc1C(F)(F)F)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000045337009 900197877 /nfs/dbraw/zinc/19/78/77/900197877.db2.gz XXHHKDRDYFXPSX-UHFFFAOYSA-N 0 1 378.310 3.762 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1 ZINC000157201434 900339018 /nfs/dbraw/zinc/33/90/18/900339018.db2.gz NXWALOREAJPODR-BBWFWOEESA-N 0 1 384.480 3.763 20 5 GHBDMN CC[N@@H+](CCC1CCN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CC1)CC(C)C ZINC000844213439 900608349 /nfs/dbraw/zinc/60/83/49/900608349.db2.gz YAFQZZAFXOETGL-UHFFFAOYSA-N 0 1 391.512 3.806 20 5 GHBDMN CCOc1ccc(NC(=O)CN(C)[C@@H](C)Cc2ccccc2C)c([N+](=O)[O-])c1 ZINC000574510083 900913669 /nfs/dbraw/zinc/91/36/69/900913669.db2.gz AXGRMIAYSKWZSM-INIZCTEOSA-N 0 1 385.464 3.803 20 5 GHBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NC(c1cccs1)c1cccs1 ZINC000159157055 902638115 /nfs/dbraw/zinc/63/81/15/902638115.db2.gz GLDCUTGPVJKGFJ-UHFFFAOYSA-N 0 1 398.462 3.925 20 5 GHBDMN CN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@@H](CCc1ccccc1)C(F)F ZINC000600793299 902926022 /nfs/dbraw/zinc/92/60/22/902926022.db2.gz NBZVNSGAEXIVKU-INIZCTEOSA-N 0 1 388.374 3.810 20 5 GHBDMN O=[N+]([O-])c1cc(CN[C@@H](c2nnc[nH]2)c2ccccc2)cc(C(F)(F)F)c1 ZINC000577981504 903410610 /nfs/dbraw/zinc/41/06/10/903410610.db2.gz UXCXWVWULCHLEO-OAHLLOKOSA-N 0 1 377.326 3.611 20 5 GHBDMN O=C(c1ccc([N+](=O)[O-])cn1)N1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000577984649 903413182 /nfs/dbraw/zinc/41/31/82/903413182.db2.gz BUVICKZPSBPKGD-MRXNPFEDSA-N 0 1 385.811 3.887 20 5 GHBDMN O=[N+]([O-])c1ccc(NCc2ccc3cncn3c2)nc1OCc1ccccc1 ZINC001186661790 914716675 /nfs/dbraw/zinc/71/66/75/914716675.db2.gz LWZMGFKWVAXEBP-UHFFFAOYSA-N 0 1 375.388 3.829 20 5 GHBDMN CCSc1nnc(NC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)s1 ZINC000578369807 903774540 /nfs/dbraw/zinc/77/45/40/903774540.db2.gz CLEWPRPNPRBMRX-UHFFFAOYSA-N 0 1 378.357 3.829 20 5 GHBDMN NCc1nccnc1Nc1ncc(C(F)(F)F)cc1-c1cccc([N+](=O)[O-])c1 ZINC001171450600 904711504 /nfs/dbraw/zinc/71/15/04/904711504.db2.gz VMIBGHUPYWSZSO-UHFFFAOYSA-N 0 1 390.325 3.668 20 5 GHBDMN COc1cc(CN(Cc2ccccc2)[C@@H](CO)C2CCC2)c([N+](=O)[O-])cc1F ZINC001171521381 904797960 /nfs/dbraw/zinc/79/79/60/904797960.db2.gz GSOLRFZKLJWRQP-FQEVSTJZSA-N 0 1 388.439 3.906 20 5 GHBDMN CNC(=O)C1(NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CCCC1 ZINC000779176684 905126791 /nfs/dbraw/zinc/12/67/91/905126791.db2.gz QJDAFKSUEIIVKB-UHFFFAOYSA-N 0 1 387.411 3.675 20 5 GHBDMN CC(C)[C@]1(C(=O)[O-])CC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000901467395 921136469 /nfs/dbraw/zinc/13/64/69/921136469.db2.gz HRRYADLDQXRMJH-SFHVURJKSA-N 0 1 375.450 3.651 20 5 GHBDMN O=C1Nc2ccccc2CN1C1CN([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172913686 905984183 /nfs/dbraw/zinc/98/41/83/905984183.db2.gz UFKCQNKETKXXHS-SFHVURJKSA-N 0 1 392.459 3.574 20 5 GHBDMN COC(=O)[C@H](Cc1ccccc1)N(C)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172921330 905992552 /nfs/dbraw/zinc/99/25/52/905992552.db2.gz OSKIBMGWPDMDON-CTNGQTDRSA-N 0 1 382.460 3.558 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CC[C@@](CF)(C(F)(F)F)C2)c1F ZINC001173182411 906263407 /nfs/dbraw/zinc/26/34/07/906263407.db2.gz RPNUEGQSROGZOT-BMIGLBTASA-N 0 1 382.329 3.897 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2C[C@@H]3C[C@H]2CN3Cc2ccccc2)c1F ZINC001173190738 906271180 /nfs/dbraw/zinc/27/11/80/906271180.db2.gz WKWKQXSQJFTYBG-NJAFHUGGSA-N 0 1 399.466 3.632 20 5 GHBDMN COc1cc(F)c(CN[C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])c(F)c1 ZINC001173190447 906272077 /nfs/dbraw/zinc/27/20/77/906272077.db2.gz YNOWNDFPBSDORM-SNVBAGLBSA-N 0 1 384.354 3.750 20 5 GHBDMN C[C@H](Cc1ccc([N+](=O)[O-])cc1)NC1(c2ccc(Br)cc2)COC1 ZINC001173218954 906296672 /nfs/dbraw/zinc/29/66/72/906296672.db2.gz UNGQVQORWCKCEO-CYBMUJFWSA-N 0 1 391.265 3.804 20 5 GHBDMN CCOC[C@@H]1CN([C@H](C)Cc2ccc([N+](=O)[O-])cc2)Cc2cnn(CC3CC3)c21 ZINC001173223223 906302996 /nfs/dbraw/zinc/30/29/96/906302996.db2.gz AHDCJDCUHRPOAL-UZLBHIALSA-N 0 1 398.507 3.768 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1CN[C@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000178728518 906376781 /nfs/dbraw/zinc/37/67/81/906376781.db2.gz NWGFXAHBNWVGLE-CYBMUJFWSA-N 0 1 384.436 3.738 20 5 GHBDMN COc1ccccc1C[C@H]1CCCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000299304876 921286278 /nfs/dbraw/zinc/28/62/78/921286278.db2.gz DQURQHYMWJDCOM-GOSISDBHSA-N 0 1 394.431 3.861 20 5 GHBDMN CN(Cc1cccc([N+](=O)[O-])c1)C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001175348654 907486790 /nfs/dbraw/zinc/48/67/90/907486790.db2.gz AOGWNEDXDNSOTF-INIZCTEOSA-N 0 1 385.247 3.773 20 5 GHBDMN COc1ccc(NC(=O)[C@@H](C)N2C[C@H]3[C@H](C[C@@H]3c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001175312322 907496271 /nfs/dbraw/zinc/49/62/71/907496271.db2.gz PDMQALXFAOPVGD-OPNNQBFTSA-N 0 1 395.459 3.666 20 5 GHBDMN Cc1c(CN[C@](C)(CO)c2cccc(Br)c2)cccc1[N+](=O)[O-] ZINC001176819905 908266645 /nfs/dbraw/zinc/26/66/45/908266645.db2.gz PYRMNGFWTFZZTK-QGZVFWFLSA-N 0 1 379.254 3.663 20 5 GHBDMN CCO[C@@H]1COC[C@H]1NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC001178717463 909206346 /nfs/dbraw/zinc/20/63/46/909206346.db2.gz SJZXMWHPCYWYMB-DNVCBOLYSA-N 0 1 392.839 3.934 20 5 GHBDMN COc1cc(CN[C@@H](C)c2cn[nH]c2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000270199054 910478065 /nfs/dbraw/zinc/47/80/65/910478065.db2.gz MCOGCBWTILMQGM-AWEZNQCLSA-N 0 1 382.420 3.756 20 5 GHBDMN Cc1cc(CN2CCSCC2)ccc1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000299691470 921588443 /nfs/dbraw/zinc/58/84/43/921588443.db2.gz ROPFQMLONFIBPK-UHFFFAOYSA-N 0 1 389.452 3.843 20 5 GHBDMN C[C@H](CC(=O)Nc1cccnc1Cl)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000271476340 910919310 /nfs/dbraw/zinc/91/93/10/910919310.db2.gz JOTPMHNQGOPRNV-SNVBAGLBSA-N 0 1 383.235 3.804 20 5 GHBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)[C@@H]1CC[C@H]1c1ccc(F)cc1 ZINC001182600135 911915023 /nfs/dbraw/zinc/91/50/23/911915023.db2.gz KCADFEQXQLNRRF-JKSUJKDBSA-N 0 1 381.367 3.651 20 5 GHBDMN COC(=O)c1nc(CNC/C(C)=C/c2cccc([N+](=O)[O-])c2)ccc1Cl ZINC001182817751 912064571 /nfs/dbraw/zinc/06/45/71/912064571.db2.gz WCUSTQNWZMIJRE-XYOKQWHBSA-N 0 1 375.812 3.623 20 5 GHBDMN CC(C)(CCc1noc([C@@H]2CN(Cc3ccccc3)CCC2(F)F)n1)[N+](=O)[O-] ZINC000291076022 914958948 /nfs/dbraw/zinc/95/89/48/914958948.db2.gz MNXGPOIPZBAWBR-HNNXBMFYSA-N 0 1 394.422 3.682 20 5 GHBDMN CN(CCc1ccc([N+](=O)[O-])cc1)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000303871439 915209589 /nfs/dbraw/zinc/20/95/89/915209589.db2.gz HWTYISZBTDOUIZ-UHFFFAOYSA-N 0 1 380.347 3.599 20 5 GHBDMN C[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1OCCc2sccc21 ZINC000292533472 915729094 /nfs/dbraw/zinc/72/90/94/915729094.db2.gz XELSYEGIFZSXOT-BMLIUANNSA-N 0 1 395.868 3.540 20 5 GHBDMN CCc1[nH]n(Cc2ccccc2C)c(=O)c1CCNc1ncc([N+](=O)[O-])s1 ZINC000295008873 917090889 /nfs/dbraw/zinc/09/08/89/917090889.db2.gz OZWWTDRBNXTOTQ-CQSZACIVSA-N 0 1 387.465 3.586 20 5 GHBDMN Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC001191740064 918189681 /nfs/dbraw/zinc/18/96/81/918189681.db2.gz ANJLXPPVGLPONL-UHFFFAOYSA-N 0 1 380.370 3.908 20 5 GHBDMN Cc1ncc([N+](=O)[O-])n1CCN1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC001191740064 918189690 /nfs/dbraw/zinc/18/96/90/918189690.db2.gz ANJLXPPVGLPONL-UHFFFAOYSA-N 0 1 380.370 3.908 20 5 GHBDMN Cc1ccc(CN[C@@H](C)c2cc(F)ccc2N2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000113357805 919369247 /nfs/dbraw/zinc/36/92/47/919369247.db2.gz FDZKHERBYCOHBS-HNNXBMFYSA-N 0 1 387.455 3.854 20 5 GHBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCCN(c2ccccc2)CC1 ZINC000298762440 920896998 /nfs/dbraw/zinc/89/69/98/920896998.db2.gz DDODHXHYMZYCHO-INIZCTEOSA-N 0 1 393.447 3.918 20 5 GHBDMN C[C@H](C(=O)Nc1ccc2ccccc2c1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000370060808 923835392 /nfs/dbraw/zinc/83/53/92/923835392.db2.gz QTHOGBFFGSWDHF-OAHLLOKOSA-N 0 1 393.447 3.609 20 5 GHBDMN COc1ccc([C@H](CNC(=O)c2cccc([N+](=O)[O-])c2)N2CCCCC2)cc1 ZINC000010447129 924155499 /nfs/dbraw/zinc/15/54/99/924155499.db2.gz YOMJGNIAOFEANK-FQEVSTJZSA-N 0 1 383.448 3.560 20 5 GHBDMN O=C(NCC1(c2c(F)cccc2F)CCC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001276044369 924769386 /nfs/dbraw/zinc/76/93/86/924769386.db2.gz JPTMQNQXOKQEJQ-UHFFFAOYSA-N 0 1 386.358 3.601 20 5 GHBDMN COc1ccccc1CC1CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 ZINC000726592050 926748570 /nfs/dbraw/zinc/74/85/70/926748570.db2.gz RYYOXGRELUWSHD-UHFFFAOYSA-N 0 1 380.448 3.865 20 5 GHBDMN COc1ccc(CN(C2CC2)[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000749479680 927127177 /nfs/dbraw/zinc/12/71/77/927127177.db2.gz HJRKNHVSCIWEGB-INIZCTEOSA-N 0 1 391.468 3.577 20 5 GHBDMN Cc1nn(CN2CCC(Cc3ccc(F)cc3)CC2)c2ncc([N+](=O)[O-])cc12 ZINC000749947856 927365045 /nfs/dbraw/zinc/36/50/45/927365045.db2.gz QGNZAPZRUITEHY-UHFFFAOYSA-N 0 1 383.427 3.699 20 5 GHBDMN Cc1cc(C)cc(C2=CCN(C[C@@H](O)COc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000544129175 928843676 /nfs/dbraw/zinc/84/36/76/928843676.db2.gz VASFPOVKTVEFEY-HXUWFJFHSA-N 0 1 382.460 3.741 20 5 GHBDMN COc1ccc(-c2cc(-c3nc(-c4cccc([N+](=O)[O-])c4)no3)[nH]n2)cc1OC ZINC000546226348 929973614 /nfs/dbraw/zinc/97/36/14/929973614.db2.gz FRWGBAKHDTUZJE-UHFFFAOYSA-N 0 1 393.359 3.719 20 5 GHBDMN COc1ccc(CN2CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000758779363 930164653 /nfs/dbraw/zinc/16/46/53/930164653.db2.gz IMEGFGUXSDFPHM-ZBFHGGJFSA-N 0 1 393.484 3.729 20 5 GHBDMN COc1ccc(CN(C)[C@@H](C)c2cccc(N3CCOC3=O)c2)cc1[N+](=O)[O-] ZINC000782183346 931111269 /nfs/dbraw/zinc/11/12/69/931111269.db2.gz KFXDIYYRRTVQDP-AWEZNQCLSA-N 0 1 385.420 3.753 20 5 GHBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN(CCCO)[C@@H]1CCCc2ccccc21 ZINC000471039637 931111700 /nfs/dbraw/zinc/11/17/00/931111700.db2.gz PXERDPYYLCTJDZ-LJQANCHMSA-N 0 1 397.475 3.604 20 5 GHBDMN CCOc1ccc(CN2CCN(c3ccc([N+](=O)[O-])c4ncccc34)CC2)cc1 ZINC000557317184 931339313 /nfs/dbraw/zinc/33/93/13/931339313.db2.gz KBKCUACIJUOJHA-UHFFFAOYSA-N 0 1 392.459 3.864 20 5 GHBDMN O=[N+]([O-])c1ccc(CN[C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)cc1Cl ZINC000783625814 931599674 /nfs/dbraw/zinc/59/96/74/931599674.db2.gz FUTLVXMPINHFOV-GOEBONIOSA-N 0 1 388.773 3.872 20 5 GHBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1 ZINC000559247611 932548496 /nfs/dbraw/zinc/54/84/96/932548496.db2.gz FKTHIUUIZYWJIS-QGZVFWFLSA-N 0 1 398.337 3.773 20 5 GHBDMN CC(C)CN1CCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000559418088 932661278 /nfs/dbraw/zinc/66/12/78/932661278.db2.gz LRNIHVWIZOPBPJ-UHFFFAOYSA-N 0 1 396.491 3.621 20 5 GHBDMN Cc1nn(C)c(C)c1-c1cc(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)[nH]n1 ZINC000560123218 933080097 /nfs/dbraw/zinc/08/00/97/933080097.db2.gz OAAYGHHUVAKZAZ-UHFFFAOYSA-N 0 1 396.451 3.885 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2nc(CN3CCC[C@](O)(c4ccccc4)C3)co2)cc1 ZINC001118845766 934262017 /nfs/dbraw/zinc/26/20/17/934262017.db2.gz UQHDIJBDQDIRDT-OAQYLSRUSA-N 0 1 379.416 3.733 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2cnn(CN3CC[C@H](COCc4ccccc4)C3)c2)c1 ZINC000777956323 934382643 /nfs/dbraw/zinc/38/26/43/934382643.db2.gz FGMUBKLOOALGTI-IBGZPJMESA-N 0 1 392.459 3.955 20 5 GHBDMN Cc1cc([N+](=O)[O-])c(F)c(C(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)c1F ZINC000830010705 935890102 /nfs/dbraw/zinc/89/01/02/935890102.db2.gz YSBHVEUARKCNRH-ZFWWWQNUSA-N 0 1 389.402 3.574 20 5 GHBDMN Cc1csc([C@@H](C)NS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)n1 ZINC000830367430 935936452 /nfs/dbraw/zinc/93/64/52/935936452.db2.gz ZPXVDBAHGIEKHD-SSDOTTSWSA-N 0 1 396.277 3.706 20 5 GHBDMN O=C([O-])Cc1ccc(NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000578536854 974857138 /nfs/dbraw/zinc/85/71/38/974857138.db2.gz OTMZQSAQJBYKNJ-SFHVURJKSA-N 0 1 383.448 3.689 20 5 GHBDMN C[C@@H](NC(=O)c1ccc(-c2ccc(C=O)o2)cc1O)c1cccc([N+](=O)[O-])c1 ZINC001626139541 1015032937 /nfs/dbraw/zinc/03/29/37/1015032937.db2.gz REHLXORVIOHDNB-GFCCVEGCSA-N 0 1 380.356 3.864 20 5 GHBDMN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc2nc(N(C)C)[nH]c2c1 ZINC000468051554 1015196204 /nfs/dbraw/zinc/19/62/04/1015196204.db2.gz VVKXFYRVVZQXSD-NSHDSACASA-N 0 1 385.449 3.656 20 5 GHBDMN C[N@@H+](Cc1ccc(C(F)(F)F)cc1)Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001598517375 992632906 /nfs/dbraw/zinc/63/29/06/992632906.db2.gz GXFMOMUOQIDNIW-UHFFFAOYSA-N 0 1 398.337 3.709 20 5 GHBDMN C[C@@H](c1ccccn1)N1CC[C@@H](Oc2cc(Br)ccc2[N+](=O)[O-])C1 ZINC001226789472 1032129694 /nfs/dbraw/zinc/12/96/94/1032129694.db2.gz TZDOAGQNVWSEIT-GXTWGEPZSA-N 0 1 392.253 3.967 20 5 GHBDMN CN1CCN(c2ccccc2-c2noc(/C=C/c3ccccc3[N+](=O)[O-])n2)CC1 ZINC000545721765 1016298179 /nfs/dbraw/zinc/29/81/79/1016298179.db2.gz SRRPRSMJTHYZPC-ZHACJKMWSA-N 0 1 391.431 3.567 20 5 GHBDMN CN(C)Cc1cc(-c2noc(C(F)(F)c3ccc([N+](=O)[O-])cc3)n2)ccc1F ZINC000545749297 1016333123 /nfs/dbraw/zinc/33/31/23/1016333123.db2.gz WDZZKLJSMVQDEH-UHFFFAOYSA-N 0 1 392.337 3.986 20 5 GHBDMN O=[N+]([O-])c1ccc2[nH]cc(Cc3noc(-c4cc(-c5ccco5)n[nH]4)n3)c2c1 ZINC000545850544 1016517785 /nfs/dbraw/zinc/51/77/85/1016517785.db2.gz PIYSUOLJDJYHLB-UHFFFAOYSA-N 0 1 376.332 3.700 20 5 GHBDMN Cc1sc(S(=O)(=O)N[C@@H](c2ccccc2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000545938432 1016558381 /nfs/dbraw/zinc/55/83/81/1016558381.db2.gz DLZFTCKXLYCKRU-LBPRGKRZSA-N 0 1 380.369 3.547 20 5 GHBDMN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Oc1[n-]c(=O)nc2ccc([N+](=O)[O-])cc21 ZINC001227094427 1032267928 /nfs/dbraw/zinc/26/79/28/1032267928.db2.gz AZELEEWCSJTAPR-IFXJQAMLSA-N 0 1 394.431 3.533 20 5 GHBDMN COC(=O)c1cc(Br)c(O)cc1O[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001227360524 1032388587 /nfs/dbraw/zinc/38/85/87/1032388587.db2.gz WFHVCZZFTIGWEI-VIFPVBQESA-N 0 1 396.193 3.990 20 5 GHBDMN C=CC(=O)OC[C@@H](C)Oc1ccc2c(c1)oc1c2c(=O)oc2cc(O)ccc12 ZINC001227519148 1032450712 /nfs/dbraw/zinc/45/07/12/1032450712.db2.gz YORCVWLRKJHCMK-LLVKDONJSA-N 0 1 380.352 3.895 20 5 GHBDMN CSc1nc(O[C@H]2CCc3c2cccc3Br)c([N+](=O)[O-])c(=O)[nH]1 ZINC001227629751 1032492271 /nfs/dbraw/zinc/49/22/71/1032492271.db2.gz XLULAKSWEJBSHC-JTQLQIEISA-N 0 1 398.238 3.641 20 5 GHBDMN O=C(NCc1nc2ccc(Cl)cc2[nH]1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778269988 1018929618 /nfs/dbraw/zinc/92/96/18/1018929618.db2.gz PZSDWSRDIHHKKZ-UHFFFAOYSA-N 0 1 380.738 3.533 20 5 GHBDMN COc1cc(C(=O)NC[C@H](c2ccc(Cl)cc2)N(C)C)cc([N+](=O)[O-])c1C ZINC000564788175 1019113863 /nfs/dbraw/zinc/11/38/63/1019113863.db2.gz OKVCTXODGMXXIH-QGZVFWFLSA-N 0 1 391.855 3.598 20 5 GHBDMN O=c1c2ccccc2oc2cc(O[C@H]3CC[C@@H](N4CCOCC4)CC3)ccc21 ZINC001228182968 1032826988 /nfs/dbraw/zinc/82/69/88/1032826988.db2.gz IMMJBKBMFNPGFI-CALCHBBNSA-N 0 1 379.456 3.968 20 5 GHBDMN Cc1ccc(S(=O)(=O)C[C@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000158604973 1019991816 /nfs/dbraw/zinc/99/18/16/1019991816.db2.gz QCJAZJKCSFZNCV-HOCLYGCPSA-N 0 1 376.478 3.725 20 5 GHBDMN COC[C@H](C)N(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])[C@H]1CCc2ccccc21 ZINC000600794696 1020260337 /nfs/dbraw/zinc/26/03/37/1020260337.db2.gz WDLDSDPUGMGYKA-BBRMVZONSA-N 0 1 386.452 3.606 20 5 GHBDMN COc1cccc(OC)c1OCCCCN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000579034717 1020382392 /nfs/dbraw/zinc/38/23/92/1020382392.db2.gz OTMPHXWQMRLEDX-UHFFFAOYSA-N 0 1 386.448 3.829 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000192019597 1020841237 /nfs/dbraw/zinc/84/12/37/1020841237.db2.gz GNNBLKCULQQSCT-PKOBYXMFSA-N 0 1 389.839 3.615 20 5 GHBDMN CN(C[C@H]1CC=CCC1)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000795451642 1021069517 /nfs/dbraw/zinc/06/95/17/1021069517.db2.gz QKXXXOXEHZRSEM-LBPRGKRZSA-N 0 1 394.269 3.559 20 5 GHBDMN CN(C[C@@H]1CC=CCC1)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000795451640 1021069858 /nfs/dbraw/zinc/06/98/58/1021069858.db2.gz QKXXXOXEHZRSEM-GFCCVEGCSA-N 0 1 394.269 3.559 20 5 GHBDMN O=C([O-])[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000901788247 1021447599 /nfs/dbraw/zinc/44/75/99/1021447599.db2.gz UKKRQYMDPHILJY-MRXNPFEDSA-N 0 1 384.310 3.694 20 5 GHBDMN Cc1nc2ccc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3Br)cc2[nH]1 ZINC000754976926 1022996481 /nfs/dbraw/zinc/99/64/81/1022996481.db2.gz MJHQAOMNDDSULI-UHFFFAOYSA-N 0 1 393.172 3.933 20 5 GHBDMN CCOc1cc(CN2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000754993851 1023006462 /nfs/dbraw/zinc/00/64/62/1023006462.db2.gz RXDIVLHFVJHVME-INIZCTEOSA-N 0 1 393.484 3.730 20 5 GHBDMN CCN(CC)[C@H](CNC(=O)c1cc(Cl)c(C)cc1[N+](=O)[O-])c1ccco1 ZINC000836498038 1023033750 /nfs/dbraw/zinc/03/37/50/1023033750.db2.gz GQDLLJVHOLEOCC-MRXNPFEDSA-N 0 1 379.844 3.963 20 5 GHBDMN COc1ccc2c(c1)CC[C@@H](Oc1nc(C(F)(F)F)cc(O)c1[N+](=O)[O-])C2 ZINC001228858022 1033140865 /nfs/dbraw/zinc/14/08/65/1033140865.db2.gz BETDPVDPCLEYAD-GFCCVEGCSA-N 0 1 384.310 3.659 20 5 GHBDMN CC1(C)CC(Oc2nc(C(F)(F)F)cc(O)c2[N+](=O)[O-])CC(C)(C)N1O ZINC001228863385 1033144838 /nfs/dbraw/zinc/14/48/38/1033144838.db2.gz XPHLSOIIJISMAO-UHFFFAOYSA-N 0 1 379.335 3.504 20 5 GHBDMN COC(=O)c1c(O[C@H]2CCN(Cc3ccccc3Cl)C2)cccc1[N+](=O)[O-] ZINC001229049715 1033249845 /nfs/dbraw/zinc/24/98/45/1033249845.db2.gz IYNQHOIRRTXOLM-AWEZNQCLSA-N 0 1 390.823 3.688 20 5 GHBDMN O=[N+]([O-])c1cccc(CN2CCC3(CCC(O)CC3)CC2)c1Br ZINC000839612198 1026113098 /nfs/dbraw/zinc/11/30/98/1026113098.db2.gz CAXNRSGTBXPTIK-UHFFFAOYSA-N 0 1 383.286 3.874 20 5 GHBDMN Cc1c(Br)c(NC[C@@H]2CCN2C2CCCCC2)ncc1[N+](=O)[O-] ZINC001163740088 1026299238 /nfs/dbraw/zinc/29/92/38/1026299238.db2.gz PFYHBUJIMJRPQA-ZDUSSCGKSA-N 0 1 383.290 3.880 20 5 GHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCN(c2cc(Cl)ccc2Cl)CC1 ZINC001164606200 1026565704 /nfs/dbraw/zinc/56/57/04/1026565704.db2.gz PZINZTGHPXYADS-UHFFFAOYSA-N 0 1 396.230 3.570 20 5 GHBDMN O=[N+]([O-])c1cc2cnn(CN3CCCC[C@@H]3[C@H]3CCC[C@H]3O)c2c(Cl)c1 ZINC000840116592 1027224102 /nfs/dbraw/zinc/22/41/02/1027224102.db2.gz PYCLLDGCAPVSJV-DJIMGWMZSA-N 0 1 378.860 3.571 20 5 GHBDMN CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC001216142009 1029540063 /nfs/dbraw/zinc/54/00/63/1029540063.db2.gz WDIAQOQKUYQKNW-CYBMUJFWSA-N 0 1 388.390 3.808 20 5 GHBDMN CC(C)C[C@@H]1CN(C)CCN1C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC001216142009 1029540067 /nfs/dbraw/zinc/54/00/67/1029540067.db2.gz WDIAQOQKUYQKNW-CYBMUJFWSA-N 0 1 388.390 3.808 20 5 GHBDMN O=[N+]([O-])c1cc(O)cc(-c2nc(-c3ccc(Br)c(F)c3)no2)c1 ZINC001216924873 1030005501 /nfs/dbraw/zinc/00/55/01/1030005501.db2.gz WMUHAPOGASCHMB-UHFFFAOYSA-N 0 1 380.129 3.919 20 5 GHBDMN CCc1cccc(-c2noc(-c3cc([N+](=O)[O-])cc(N4CCN(C)CC4)c3)n2)c1 ZINC001217019879 1030097145 /nfs/dbraw/zinc/09/71/45/1030097145.db2.gz DNBUSZPLDYNZGW-UHFFFAOYSA-N 0 1 393.447 3.626 20 5 GHBDMN C[C@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001150144143 1030426789 /nfs/dbraw/zinc/42/67/89/1030426789.db2.gz YKRPSQRMQXSZFX-KXBFYZLASA-N 0 1 393.443 3.981 20 5 GHBDMN CC(C)[C@H]1CN(Cc2ccccc2)CCN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC001461724476 1069704123 /nfs/dbraw/zinc/70/41/23/1069704123.db2.gz QNBMZIPOWHAIPK-KCQSEKJDSA-N 0 1 393.487 3.977 20 5 GHBDMN O=[N+]([O-])c1ccc(OCCO[C@@H]2CCN(Cc3ccc(Cl)cc3)C2)cc1 ZINC001224777997 1031114814 /nfs/dbraw/zinc/11/48/14/1031114814.db2.gz HUURHLHQIHEVFC-LJQANCHMSA-N 0 1 376.840 3.918 20 5 GHBDMN COc1ccc2c(c1)CCN[C@@H]2C(=O)Nc1cc2cccnc2c2ncccc12 ZINC001218980153 1031192356 /nfs/dbraw/zinc/19/23/56/1031192356.db2.gz UQCZDCYNRMCQQY-QFIPXVFZSA-N 0 1 384.439 3.617 20 5 GHBDMN N=c1c2cc(N)ccc2on1C(=O)[C@@H](N)Cc1c2ccccc2cc2ccccc21 ZINC001219138774 1031270247 /nfs/dbraw/zinc/27/02/47/1031270247.db2.gz XBLHFOFDBCFVAM-NRFANRHFSA-N 0 1 396.450 3.813 20 5 GHBDMN CC(C)(C)OC(=O)N1CCCC2(CC(Oc3cc(O)ccc3[N+](=O)[O-])C2)C1 ZINC001225491169 1031438704 /nfs/dbraw/zinc/43/87/04/1031438704.db2.gz NBGSTQVEBORYMN-UHFFFAOYSA-N 0 1 378.425 3.859 20 5 GHBDMN CC(C)(NC(=O)Nc1ccc(-n2ccc(=O)[nH]2)cc1)c1ccccc1[N+](=O)[O-] ZINC001219675841 1031553690 /nfs/dbraw/zinc/55/36/90/1031553690.db2.gz OJQMTWKGAOXUQR-UHFFFAOYSA-N 0 1 381.392 3.543 20 5 GHBDMN O=[N+]([O-])c1cc(O[C@H]2CC[C@@H](N3CCOCC3)CC2)c(Cl)cc1Cl ZINC001226206987 1031851561 /nfs/dbraw/zinc/85/15/61/1031851561.db2.gz HKHVPSIVVLASSV-TXEJJXNPSA-N 0 1 375.252 3.924 20 5 GHBDMN COc1c(O)ccc(CNC[C@H](O)c2ccc(-c3ccccc3)cc2)c1[N+](=O)[O-] ZINC001205245969 1033322617 /nfs/dbraw/zinc/32/26/17/1033322617.db2.gz IIWFKHKGPJPZOJ-FQEVSTJZSA-N 0 1 394.427 3.799 20 5 GHBDMN C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1Oc1n[nH]c(=O)c2cccc([N+](=O)[O-])c21 ZINC001229374853 1033444718 /nfs/dbraw/zinc/44/47/18/1033444718.db2.gz SZTCGJWMKQPDAA-KDOFPFPSSA-N 0 1 394.431 3.533 20 5 GHBDMN C[C@H](O)C(=O)Oc1nccc2c3nc(C(C)(C)C)[nH]c3c3ccc(F)cc3c21 ZINC001229779852 1033708041 /nfs/dbraw/zinc/70/80/41/1033708041.db2.gz FUBNCCVRYQNTCR-JTQLQIEISA-N 0 1 381.407 3.987 20 5 GHBDMN C[C@]1(CO)CCCN(C(=O)[C@@H](N)Cc2c3ccccc3cc3ccccc32)CC1 ZINC001157900233 1033816806 /nfs/dbraw/zinc/81/68/06/1033816806.db2.gz GWFXYNNRDQOZLM-ZCYQVOJMSA-N 0 1 390.527 3.874 20 5 GHBDMN CC(C)(C)OC(=O)N1CC[C@@H]2C[C@@H](Oc3cc4[nH]ncc4cc3[N+](=O)[O-])C[C@@H]21 ZINC001230596925 1034139509 /nfs/dbraw/zinc/13/95/09/1034139509.db2.gz XEKBHNPCMKYHER-KYOSRNDESA-N 0 1 388.424 3.638 20 5 GHBDMN C[C@H](c1ccccn1)N1CCC[C@H](Oc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC001231056486 1034369714 /nfs/dbraw/zinc/36/97/14/1034369714.db2.gz SSJVBVMDDMSFAT-CABCVRRESA-N 0 1 379.420 3.537 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)NCc2cccc(Cl)c2)c1 ZINC001207882404 1034638510 /nfs/dbraw/zinc/63/85/10/1034638510.db2.gz VHHJORCNHVKESA-UHFFFAOYSA-N 0 1 379.196 3.519 20 5 GHBDMN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2n[nH]c3nc(C(F)(F)F)ccc23)c1 ZINC001159602731 1034684927 /nfs/dbraw/zinc/68/49/27/1034684927.db2.gz KAGWCRWALJAZNQ-UHFFFAOYSA-N 0 1 397.338 3.859 20 5 GHBDMN CC(C)(C)OC(=O)N1C[C@H]2CN(Cc3ccc4ccc5cccnc5c4n3)C[C@H]21 ZINC001232225322 1035171411 /nfs/dbraw/zinc/17/14/11/1035171411.db2.gz ATZLLJCZPKWKJA-IEBWSBKVSA-N 0 1 390.487 3.834 20 5 GHBDMN CC(C)=CCc1c(O)cc(OC[C@H]2COCO2)c2c(=O)c3cccc(O)c3oc12 ZINC001234740184 1040264960 /nfs/dbraw/zinc/26/49/60/1040264960.db2.gz GLMBRVFSBDSQLV-CYBMUJFWSA-N 0 1 398.411 3.618 20 5 GHBDMN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCN(C(=O)OC(C)(C)C)C[C@@H](C)C1 ZINC001254551742 1040318499 /nfs/dbraw/zinc/31/84/99/1040318499.db2.gz FAPCLESHSQBNHC-JKSUJKDBSA-N 0 1 377.485 3.715 20 5 GHBDMN CCOC[C@@H]1CN([C@H](C)Cc2ccccc2[N+](=O)[O-])Cc2cn(CC3CC3)nc21 ZINC001254560363 1040331751 /nfs/dbraw/zinc/33/17/51/1040331751.db2.gz FLRGDKWEPVPRPL-UZLBHIALSA-N 0 1 398.507 3.768 20 5 GHBDMN CO[C@H](CN1CCN([C@H](C)Cc2ccccc2[N+](=O)[O-])CC1)c1ccccc1 ZINC001254567063 1040342260 /nfs/dbraw/zinc/34/22/60/1040342260.db2.gz VXUXFETTZUYCHQ-XMSQKQJNSA-N 0 1 383.492 3.531 20 5 GHBDMN CCOc1cc2c(cc1OCC)CN([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)CC2 ZINC001254606393 1040378119 /nfs/dbraw/zinc/37/81/19/1040378119.db2.gz DZBATQWYFLXFEJ-HXUWFJFHSA-N 0 1 382.460 3.918 20 5 GHBDMN CC(C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1c([O-])cc(Br)cc1[N+](=O)[O-])C2 ZINC001234878436 1040392819 /nfs/dbraw/zinc/39/28/19/1040392819.db2.gz VIHWXVZIGHPBDA-ITGUQSILSA-N 0 1 385.258 3.846 20 5 GHBDMN CC(C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1c([O-])cc(Br)cc1[N+](=O)[O-])C2 ZINC001234878436 1040392834 /nfs/dbraw/zinc/39/28/34/1040392834.db2.gz VIHWXVZIGHPBDA-ITGUQSILSA-N 0 1 385.258 3.846 20 5 GHBDMN Nc1c(C(=O)Nc2cccc(Cl)c2O)cc(Br)cc1[N+](=O)[O-] ZINC001256686100 1043622146 /nfs/dbraw/zinc/62/21/46/1043622146.db2.gz SAUFKNXVJNLKAL-UHFFFAOYSA-N 0 1 386.589 3.551 20 5 GHBDMN Cc1cc(C)n(Cc2ccc(-c3nnc(-c4ccc(O)cc4[N+](=O)[O-])o3)cc2)n1 ZINC001258001776 1044329662 /nfs/dbraw/zinc/32/96/62/1044329662.db2.gz FBTUXLLGWGFQEP-UHFFFAOYSA-N 0 1 391.387 3.879 20 5 GHBDMN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCCc1nnc(-c2ccc(Cl)cc2)[nH]1 ZINC001297661031 1045599353 /nfs/dbraw/zinc/59/93/53/1045599353.db2.gz HYMGITGQLGBABM-UHFFFAOYSA-N 0 1 399.838 3.623 20 5 GHBDMN Cc1c(Br)cc(C(=O)Nc2ccc(F)c(F)c2O)cc1[N+](=O)[O-] ZINC001299046365 1046002990 /nfs/dbraw/zinc/00/29/90/1046002990.db2.gz FRHCDTSZEWTJRB-UHFFFAOYSA-N 0 1 387.136 3.902 20 5 GHBDMN CCc1ccc(C(=O)N2CCc3nc[nH]c3[C@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC001303199697 1047309897 /nfs/dbraw/zinc/30/98/97/1047309897.db2.gz NKPSSDCZANAYQA-HXUWFJFHSA-N 0 1 394.406 3.807 20 5 GHBDMN CC(C)c1ncc(CNC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)[nH]1 ZINC001304104936 1047587810 /nfs/dbraw/zinc/58/78/10/1047587810.db2.gz NFGNXJDKWHZLQG-HUUCEWRRSA-N 0 1 399.495 3.854 20 5 GHBDMN COc1cccc(-c2cc(C(=O)Nc3nccc4c3cccc4[N+](=O)[O-])[nH]n2)c1 ZINC001306861872 1048932271 /nfs/dbraw/zinc/93/22/71/1048932271.db2.gz AWVFWMBCZKQYAB-UHFFFAOYSA-N 0 1 389.371 3.794 20 5 GHBDMN O=[N+]([O-])c1ccc(N[C@@H]2CCCC[C@H]2N2CCOCC2)nc1-c1ccccc1 ZINC001306996051 1048998173 /nfs/dbraw/zinc/99/81/73/1048998173.db2.gz YBFJORQBILXIDD-QZTJIDSGSA-N 0 1 382.464 3.712 20 5 GHBDMN O=[N+]([O-])c1cc(Br)cnc1N1CCN[C@@H](c2ccc(Cl)cc2)C1 ZINC001307234198 1049156493 /nfs/dbraw/zinc/15/64/93/1049156493.db2.gz AMXSRXVEYXNZDN-CYBMUJFWSA-N 0 1 397.660 3.557 20 5 GHBDMN COc1ccc(OCC[N@H+]2CC[C@@H](Oc3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 ZINC001307796253 1049596401 /nfs/dbraw/zinc/59/64/01/1049596401.db2.gz DACSPKQLOUUECP-QGZVFWFLSA-N 0 1 392.839 3.789 20 5 GHBDMN COc1ccc(OCCN2CC[C@@H](Oc3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 ZINC001307796253 1049596412 /nfs/dbraw/zinc/59/64/12/1049596412.db2.gz DACSPKQLOUUECP-QGZVFWFLSA-N 0 1 392.839 3.789 20 5 GHBDMN COc1ccc([C@@H](NC(=O)CN[C@H](C)c2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC001308064641 1049811388 /nfs/dbraw/zinc/81/13/88/1049811388.db2.gz DYOCOIUMNGSAEZ-SZNDQCEHSA-N 0 1 383.448 3.522 20 5 GHBDMN Cc1ccc(CN[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)cc1[N+](=O)[O-] ZINC001308297257 1049941464 /nfs/dbraw/zinc/94/14/64/1049941464.db2.gz QVFPZJCAYCKPNP-OAHLLOKOSA-N 0 1 393.365 3.817 20 5 GHBDMN Cn1cnc2cc(CNCc3ccc(Br)cc3[N+](=O)[O-])ccc21 ZINC001308502679 1049991784 /nfs/dbraw/zinc/99/17/84/1049991784.db2.gz BCYPZYSPNWIMBV-UHFFFAOYSA-N 0 1 375.226 3.534 20 5 GHBDMN Cc1ccc(CN2CCO[C@@H](CNCc3ccc(Cl)cc3[N+](=O)[O-])C2)cc1 ZINC001308907016 1050154830 /nfs/dbraw/zinc/15/48/30/1050154830.db2.gz XFTPPVVXYFPRDN-IBGZPJMESA-N 0 1 389.883 3.547 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(CN2CCC[C@H](n3ccnn3)C2)o1 ZINC001328041746 1050370106 /nfs/dbraw/zinc/37/01/06/1050370106.db2.gz PJSFCBQJQJWWJQ-AWEZNQCLSA-N 0 1 387.827 3.937 20 5 GHBDMN CC[C@@H](c1ccccc1)N1CCN(C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001311031579 1051787922 /nfs/dbraw/zinc/78/79/22/1051787922.db2.gz ACZBNMVEIFFFOM-IBGZPJMESA-N 0 1 398.463 3.904 20 5 GHBDMN C[C@H](NC(=O)N[C@H]1CCN(C)[C@H]1c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC001335694074 1052151420 /nfs/dbraw/zinc/15/14/20/1052151420.db2.gz ADDCHBXNZBFHRW-AGRHKRQWSA-N 0 1 386.427 3.540 20 5 GHBDMN Cc1ccc(CN2CCCN(C(=O)NCc3cccc([N+](=O)[O-])c3C)CC2)cc1 ZINC001343546834 1053864362 /nfs/dbraw/zinc/86/43/62/1053864362.db2.gz GZVMYBJYSDAVQB-UHFFFAOYSA-N 0 1 396.491 3.629 20 5 GHBDMN Cc1c(C(=O)O[C@@H]2CCCN(c3ccc(F)cc3[N+](=O)[O-])C2)ccc2cncn21 ZINC001344784277 1054739786 /nfs/dbraw/zinc/73/97/86/1054739786.db2.gz BSCGOHDFTZYRHY-MRXNPFEDSA-N 0 1 398.394 3.516 20 5 GHBDMN Cc1c(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)ccc2cncn21 ZINC001320142050 1055673783 /nfs/dbraw/zinc/67/37/83/1055673783.db2.gz BVNMRBGZGSGKOG-UHFFFAOYSA-N 0 1 379.401 3.927 20 5 GHBDMN C[C@@](O)(CNCc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C(F)(F)F ZINC001324503679 1057150979 /nfs/dbraw/zinc/15/09/79/1057150979.db2.gz WRUNAEDVWYCRJY-CQSZACIVSA-N 0 1 378.734 3.911 20 5 GHBDMN O=C(OCc1ccc([N+](=O)[O-])cc1Br)[C@H]1CCCN1C1CCCC1 ZINC001324815903 1057232042 /nfs/dbraw/zinc/23/20/42/1057232042.db2.gz SKBKICNTFJYQEI-MRXNPFEDSA-N 0 1 397.269 3.808 20 5 GHBDMN Cc1cccc(C(=O)Nc2cc(N3CCN(C)CC3)ccc2[N+](=O)[O-])c1Cl ZINC001439673269 1058256883 /nfs/dbraw/zinc/25/68/83/1058256883.db2.gz BMRQISYLBHBZPC-UHFFFAOYSA-N 0 1 388.855 3.561 20 5 GHBDMN Cc1cc([N+](=O)[O-])cc(C(=O)Nc2cc(Cl)cc(Br)c2O)n1 ZINC001447087457 1059926165 /nfs/dbraw/zinc/92/61/65/1059926165.db2.gz DMHJSXPKHAAOSJ-UHFFFAOYSA-N 0 1 386.589 3.672 20 5 GHBDMN O=C(Nc1ccc(F)c(-c2nc[nH]n2)c1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001448619893 1060231074 /nfs/dbraw/zinc/23/10/74/1060231074.db2.gz MNITYAZEEPFFJO-UHFFFAOYSA-N 0 1 379.710 3.564 20 5 GHBDMN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@H](c1nnc[nH]1)c1ccccc1 ZINC001451084032 1060735495 /nfs/dbraw/zinc/73/54/95/1060735495.db2.gz VQBTXROMSSELOJ-LPHOPBHVSA-N 0 1 393.447 3.530 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C)c1ccc(Cl)c(F)c1 ZINC001341745492 1060857455 /nfs/dbraw/zinc/85/74/55/1060857455.db2.gz GHKRCOPDGYOUJR-SNVBAGLBSA-N 0 1 381.791 3.685 20 5 GHBDMN C[C@@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001454395630 1061750415 /nfs/dbraw/zinc/75/04/15/1061750415.db2.gz COTHNOKLHSKYME-RDTXWAMCSA-N 0 1 387.867 3.889 20 5 GHBDMN CC[C@H](c1ccccc1)N1CCN(C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC001456992971 1062941359 /nfs/dbraw/zinc/94/13/59/1062941359.db2.gz WKJXWRVLDBBAKZ-DYESRHJHSA-N 0 1 381.476 3.994 20 5 GHBDMN Nc1c(C(=O)Nc2ccc(-c3nnc[nH]3)cc2F)cc2ccccc2c1[N+](=O)[O-] ZINC001436087076 1063170108 /nfs/dbraw/zinc/17/01/08/1063170108.db2.gz BSFMOBQAYNYUIH-UHFFFAOYSA-N 0 1 392.350 3.507 20 5 GHBDMN C[C@H](CSCc1ccccc1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC001457614126 1063279195 /nfs/dbraw/zinc/27/91/95/1063279195.db2.gz RBSVSRYVCZSFIH-CYBMUJFWSA-N 0 1 397.460 3.888 20 5 GHBDMN O=C(NC[C@H](c1ccco1)N1CCCCC1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001349251093 1063613428 /nfs/dbraw/zinc/61/34/28/1063613428.db2.gz RIXCZYDDIREFCE-GUDVDZBRSA-N 0 1 383.448 3.635 20 5 GHBDMN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)CCCOc1ccc(Cl)cc1 ZINC001459327254 1064063795 /nfs/dbraw/zinc/06/37/95/1064063795.db2.gz RXQHTZCCTSCMAZ-CQSZACIVSA-N 0 1 391.855 3.976 20 5 GHBDMN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)CCCOc1ccc(Cl)cc1 ZINC001459327254 1064063803 /nfs/dbraw/zinc/06/38/03/1064063803.db2.gz RXQHTZCCTSCMAZ-CQSZACIVSA-N 0 1 391.855 3.976 20 5 GHBDMN CN(Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C1Cc2ccccc2C1 ZINC001459355815 1064073145 /nfs/dbraw/zinc/07/31/45/1064073145.db2.gz SCZQWFQGJACGNH-UHFFFAOYSA-N 0 1 384.823 3.897 20 5 GHBDMN CC[C@@H](NCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1ccc(C)c(F)c1 ZINC001459816170 1064229114 /nfs/dbraw/zinc/22/91/14/1064229114.db2.gz FAVJNUUWXYSNAO-MRXNPFEDSA-N 0 1 375.400 3.730 20 5 GHBDMN Cc1ccc([C@H](C)NCC(=O)Nc2ccc3c(c2)OC(F)(F)O3)cc1[N+](=O)[O-] ZINC001459824502 1064233640 /nfs/dbraw/zinc/23/36/40/1064233640.db2.gz LOVYQXJFPFBJFW-NSHDSACASA-N 0 1 393.346 3.514 20 5 GHBDMN CC[C@@H]1CN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)CCN1Cc1ccccc1 ZINC001465158763 1065425526 /nfs/dbraw/zinc/42/55/26/1065425526.db2.gz XVEYDRMGKRVRGJ-QGZVFWFLSA-N 0 1 398.463 3.732 20 5 GHBDMN CCC[N@@H+](C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1[O-])c1ccc(Cl)cc1 ZINC001467902891 1067521363 /nfs/dbraw/zinc/52/13/63/1067521363.db2.gz JFVGVSSYCDFFKI-KRWDZBQOSA-N 0 1 391.855 3.767 20 5 GHBDMN CCN(CCOc1ccccc1C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC001460282154 1068905751 /nfs/dbraw/zinc/90/57/51/1068905751.db2.gz DNDFGMHYYBGJQD-QGZVFWFLSA-N 0 1 385.464 3.940 20 5 GHBDMN C[C@@H](CNc1ncc([N+](=O)[O-])c2ccccc21)N1CCN(c2ccccc2)CC1 ZINC001472658589 1073601430 /nfs/dbraw/zinc/60/14/30/1073601430.db2.gz NINUCBAVMCJMGE-KRWDZBQOSA-N 0 1 391.475 3.766 20 5 GHBDMN CCOc1ccc(NC(=O)CN(CC2CCCCC2)C2CC2)c([N+](=O)[O-])c1 ZINC001473113357 1073786885 /nfs/dbraw/zinc/78/68/85/1073786885.db2.gz FPJRYJLAZKEMRS-UHFFFAOYSA-N 0 1 375.469 3.977 20 5 GHBDMN CCOC(=O)[C@@]1(C(C)C)CCN(Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC001473427314 1073960408 /nfs/dbraw/zinc/96/04/08/1073960408.db2.gz XNQGBKORIJLIAY-KRWDZBQOSA-N 0 1 399.285 3.769 20 5 GHBDMN COc1ccc(NC(=O)CN2[C@H](C)C[C@@H](c3ccccc3)[C@H]2C)c([N+](=O)[O-])c1 ZINC001473506986 1073993203 /nfs/dbraw/zinc/99/32/03/1073993203.db2.gz QWWICQYPDQLRGZ-IIDMSEBBSA-N 0 1 383.448 3.808 20 5 GHBDMN COCC1(NCc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CCCCC1 ZINC001473674454 1074078811 /nfs/dbraw/zinc/07/88/11/1074078811.db2.gz IHVNXHZGHWJFRY-UHFFFAOYSA-N 0 1 380.832 3.737 20 5 GHBDMN Cn1cc[nH+]c1C[C@@H](Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])c1ccccc1 ZINC000833059062 600826109 /nfs/dbraw/zinc/82/61/09/600826109.db2.gz UZLTVTONSHWLIT-XSFOEPMVSA-N 0 1 392.415 3.822 20 5 GHBDMN CCOc1cccc([C@@H](C)NCC(=O)Nc2ccc(OCC)cc2[N+](=O)[O-])c1 ZINC000180713267 837488212 /nfs/dbraw/zinc/48/82/12/837488212.db2.gz KFNADNJRRUKKOQ-CQSZACIVSA-N 0 1 387.436 3.682 20 5 GHBDMN Cc1ccc(NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c(Br)c1 ZINC000128199011 834612800 /nfs/dbraw/zinc/61/28/00/834612800.db2.gz WQQXDLMPMBXNEC-UHFFFAOYSA-N 0 1 389.202 3.606 20 5 GHBDMN CN1CCCN(C(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 ZINC000097617305 835319022 /nfs/dbraw/zinc/31/90/22/835319022.db2.gz SPBUULUUELBKFJ-UHFFFAOYSA-N 0 1 389.839 3.818 20 5 GHBDMN CSc1cccc(C(=O)NC[C@@H](c2cccs2)N2CCCC2)c1[N+](=O)[O-] ZINC000188016818 835353654 /nfs/dbraw/zinc/35/36/54/835353654.db2.gz XUBNJZUDNCBFKC-AWEZNQCLSA-N 0 1 391.518 3.945 20 5 GHBDMN CSc1cccc(C(=O)NC[C@H](c2ccc(C)o2)N2CCCC2)c1[N+](=O)[O-] ZINC000188110826 835372421 /nfs/dbraw/zinc/37/24/21/835372421.db2.gz FUBZMHMLXSLZDL-OAHLLOKOSA-N 0 1 389.477 3.785 20 5 GHBDMN CSc1cccc(C(=O)NC[C@@H](c2ccc(C)o2)N2CCCC2)c1[N+](=O)[O-] ZINC000188110849 835372663 /nfs/dbraw/zinc/37/26/63/835372663.db2.gz FUBZMHMLXSLZDL-HNNXBMFYSA-N 0 1 389.477 3.785 20 5 GHBDMN COc1ccc(CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@H](C)C2CC2)cc1 ZINC000052866959 835748141 /nfs/dbraw/zinc/74/81/41/835748141.db2.gz VELMZVYKMINGPG-MRXNPFEDSA-N 0 1 397.475 3.867 20 5 GHBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179512982 835786640 /nfs/dbraw/zinc/78/66/40/835786640.db2.gz TUJYEWLAMWXPOU-HNNXBMFYSA-N 0 1 385.468 3.757 20 5 GHBDMN CCCCNC(=O)[C@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000609194072 835832690 /nfs/dbraw/zinc/83/26/90/835832690.db2.gz HORQETTUNPZNHZ-INIZCTEOSA-N 0 1 377.485 3.510 20 5 GHBDMN Cc1cc(CN2CCSCC2)ccc1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000410316206 835922754 /nfs/dbraw/zinc/92/27/54/835922754.db2.gz MPZJPZHUOBMWPC-UHFFFAOYSA-N 0 1 389.452 3.843 20 5 GHBDMN CN1CCN(c2ccc(NC(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)cc2)CC1 ZINC000023269886 835967621 /nfs/dbraw/zinc/96/76/21/835967621.db2.gz ALZXSNCBKJUGCX-UHFFFAOYSA-N 0 1 396.491 3.896 20 5 GHBDMN COc1ccc2c(c1)CC[C@H](N[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)C2 ZINC000612402233 836178337 /nfs/dbraw/zinc/17/83/37/836178337.db2.gz UMBQIIGLAZEILO-RXVVDRJESA-N 0 1 392.459 3.573 20 5 GHBDMN CC(C)N(Cc1ccccc1)C(=O)[C@H](C)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000548928087 836193548 /nfs/dbraw/zinc/19/35/48/836193548.db2.gz OLMISYCEAZSOKJ-SFHVURJKSA-N 0 1 383.492 3.895 20 5 GHBDMN C[C@@H]1CN(Cc2cccc(Nc3ncnc4sc([N+](=O)[O-])cc43)c2)C[C@@H](C)O1 ZINC000582504090 836320418 /nfs/dbraw/zinc/32/04/18/836320418.db2.gz UOBNRJOXQMXKEL-CHWSQXEVSA-N 0 1 399.476 3.952 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)[C@H](C)c1cc(F)ccc1F ZINC000053126912 836751126 /nfs/dbraw/zinc/75/11/26/836751126.db2.gz LHMGFBCVALJYLD-GFCCVEGCSA-N 0 1 393.390 3.903 20 5 GHBDMN Cc1[nH]nc2cc(NC(=O)c3cc(Br)cc([N+](=O)[O-])c3)ccc12 ZINC000180335329 837146150 /nfs/dbraw/zinc/14/61/50/837146150.db2.gz HBIQMRQVZBGIPH-UHFFFAOYSA-N 0 1 375.182 3.794 20 5 GHBDMN C[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000180397913 837212855 /nfs/dbraw/zinc/21/28/55/837212855.db2.gz KWLRHOHOZWQGCE-HOTGVXAUSA-N 0 1 382.464 3.873 20 5 GHBDMN C[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N(C)Cc1nc2ccccc2s1 ZINC000180409425 837228162 /nfs/dbraw/zinc/22/81/62/837228162.db2.gz JGNPEUKMWZMDIG-KBPBESRZSA-N 0 1 398.488 3.902 20 5 GHBDMN C[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000180447595 837276379 /nfs/dbraw/zinc/27/63/79/837276379.db2.gz CQXMUMRYWWUTSA-GHMZBOCLSA-N 0 1 392.799 3.834 20 5 GHBDMN Cc1ccccc1C[C@H](CO)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000188917133 837990625 /nfs/dbraw/zinc/99/06/25/837990625.db2.gz HFJILRYOKKIZFH-QGZVFWFLSA-N 0 1 383.473 3.720 20 5 GHBDMN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000275612596 838011537 /nfs/dbraw/zinc/01/15/37/838011537.db2.gz HGMNMISEFKQEST-WYRIXSBYSA-N 0 1 397.425 3.584 20 5 GHBDMN C[C@@H]1C[C@H](NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CN1C1CC1 ZINC000275658468 838244828 /nfs/dbraw/zinc/24/48/28/838244828.db2.gz MLUPLCIJIRJYAD-RISCZKNCSA-N 0 1 397.425 3.727 20 5 GHBDMN COc1ccc(NC(=O)[C@@H](C)N(C)CC2(c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000189308589 838252342 /nfs/dbraw/zinc/25/23/42/838252342.db2.gz UUAVRXNFXDVVCP-OAHLLOKOSA-N 0 1 383.448 3.594 20 5 GHBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCC[C@@H]2C(C)(C)O)cc1OC ZINC000541059228 838256771 /nfs/dbraw/zinc/25/67/71/838256771.db2.gz IBOKXXIHHNOPJM-IFXJQAMLSA-N 0 1 380.485 3.764 20 5 GHBDMN CC[C@@](C)(O)CN(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)Cc1ccccc1 ZINC000189727744 838389277 /nfs/dbraw/zinc/38/92/77/838389277.db2.gz FJDIAGGXLOMBOC-OAQYLSRUSA-N 0 1 385.464 3.505 20 5 GHBDMN C[C@@H](c1ccc(F)cc1)N1CC[C@@H](N(C)CCc2ccccc2[N+](=O)[O-])C1=O ZINC000579257821 838560375 /nfs/dbraw/zinc/56/03/75/838560375.db2.gz NXEUTJSGDDSKAW-MGPUTAFESA-N 0 1 385.439 3.570 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2cnc(CC[NH+]3CCN(Cc4ccccc4)CC3)o2)c1 ZINC000104661239 838836107 /nfs/dbraw/zinc/83/61/07/838836107.db2.gz XHBFOMXGDXMPRZ-UHFFFAOYSA-N 0 1 392.459 3.610 20 5 GHBDMN Cc1ccc(S(=O)(=O)Nc2ccccc2OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000014205744 839183125 /nfs/dbraw/zinc/18/31/25/839183125.db2.gz BAMZEJMPQMLLBG-UHFFFAOYSA-N 0 1 390.339 3.645 20 5 GHBDMN Cc1ccc2nc([C@@H]3CCCN3CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)[nH]c2c1 ZINC000580483117 839647232 /nfs/dbraw/zinc/64/72/32/839647232.db2.gz XHPAZJCWWCPUIP-IBGZPJMESA-N 0 1 393.447 3.579 20 5 GHBDMN O=C(CN1CC[C@H](Cc2ccc(F)cc2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001167434578 840187445 /nfs/dbraw/zinc/18/74/45/840187445.db2.gz WINSKDSGPXSIKU-CQSZACIVSA-N 0 1 391.830 3.890 20 5 GHBDMN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCCN(Cc3ccccc3)CC2)c1 ZINC000053721382 840354916 /nfs/dbraw/zinc/35/49/16/840354916.db2.gz CQSLTPFZFNWLMX-UHFFFAOYSA-N 0 1 385.489 3.665 20 5 GHBDMN Cc1cc(C)c([N+](=O)[O-])c(N2CCC(c3cc(-c4ccncc4)[nH]n3)CC2)n1 ZINC000566481712 840860947 /nfs/dbraw/zinc/86/09/47/840860947.db2.gz OWIPGNQGJSYBMF-UHFFFAOYSA-N 0 1 378.436 3.776 20 5 GHBDMN COc1ccccc1C1(CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CCCC1 ZINC000108821591 841704820 /nfs/dbraw/zinc/70/48/20/841704820.db2.gz GUVNKLGDUWXRLP-UHFFFAOYSA-N 0 1 394.431 3.722 20 5 GHBDMN Cc1noc(C)c1CO[C@@H]1CCN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)C1 ZINC000302172730 861230301 /nfs/dbraw/zinc/23/03/01/861230301.db2.gz VBGLBBRYNXROLA-MRXNPFEDSA-N 0 1 382.420 3.852 20 5 GHBDMN Cc1c(CN2CCSCC2)cccc1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000061307567 861280316 /nfs/dbraw/zinc/28/03/16/861280316.db2.gz RXTITYFBTBSRSJ-UHFFFAOYSA-N 0 1 377.491 3.766 20 5 GHBDMN C[C@@H]1CN(Cc2ccc(CNc3c4c(ccc3[N+](=O)[O-])NCC4)cc2)C[C@@H](C)O1 ZINC000302491374 861289900 /nfs/dbraw/zinc/28/99/00/861289900.db2.gz ZDSVRIUPHKWYND-HZPDHXFCSA-N 0 1 396.491 3.784 20 5 GHBDMN Cc1cc(N[C@H]2CCN(Cc3ccc(F)cc3)C2=O)c2cc([N+](=O)[O-])ccc2n1 ZINC000302758778 861352426 /nfs/dbraw/zinc/35/24/26/861352426.db2.gz XNVRADCTVFEDEI-IBGZPJMESA-N 0 1 394.406 3.804 20 5 GHBDMN NC(=O)c1ccc(CN[C@@H](Cc2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000024734536 842916300 /nfs/dbraw/zinc/91/63/00/842916300.db2.gz WXEXRJRGGAOYAJ-FQEVSTJZSA-N 0 1 375.428 3.767 20 5 GHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC(Cc2cccc(F)c2)CC1 ZINC000603928336 861389084 /nfs/dbraw/zinc/38/90/84/861389084.db2.gz OYITWHRCAIBKGV-UHFFFAOYSA-N 0 1 382.395 3.705 20 5 GHBDMN COc1cc(CNCc2cc(Br)ccc2C)c([N+](=O)[O-])cc1OC ZINC000190298543 843702082 /nfs/dbraw/zinc/70/20/82/843702082.db2.gz BCNNOZXLVBGSDW-UHFFFAOYSA-N 0 1 395.253 3.973 20 5 GHBDMN CCc1cc(N2CCCC[C@@H]2c2n[nH]c(C)n2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000509533071 843796110 /nfs/dbraw/zinc/79/61/10/843796110.db2.gz OPVAAQOHICILAJ-QGZVFWFLSA-N 0 1 393.451 3.772 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N2CCC(c3ccc(F)c(F)c3)CC2)c1[N+](=O)[O-] ZINC000610922215 844858934 /nfs/dbraw/zinc/85/89/34/844858934.db2.gz MAOPEESHHTZGNN-UHFFFAOYSA-N 0 1 378.379 3.739 20 5 GHBDMN CSc1cccc(C(=O)NCc2nc3ccc(Cl)cc3[nH]2)c1[N+](=O)[O-] ZINC000614456706 844898851 /nfs/dbraw/zinc/89/88/51/844898851.db2.gz QJYUGGUDHYRJOM-UHFFFAOYSA-N 0 1 376.825 3.776 20 5 GHBDMN CC(C)(C)OC(=O)c1cccc(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000500979091 844944997 /nfs/dbraw/zinc/94/49/97/844944997.db2.gz ALSZSEFHYIRJEL-KRWDZBQOSA-N 0 1 398.463 3.632 20 5 GHBDMN COC[C@@H](C)N(CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCc2ccccc21 ZINC000599683236 861523229 /nfs/dbraw/zinc/52/32/29/861523229.db2.gz OMZCIKZTRDWEDB-DNVCBOLYSA-N 0 1 383.448 3.558 20 5 GHBDMN COC[C@@H](C)N(Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1CCc2ccccc21 ZINC000599683244 861523885 /nfs/dbraw/zinc/52/38/85/861523885.db2.gz OWMJYGNLSXHSTA-QVKFZJNVSA-N 0 1 398.459 3.986 20 5 GHBDMN COc1ccccc1CN(CCOc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCO1 ZINC000065223009 845085297 /nfs/dbraw/zinc/08/52/97/845085297.db2.gz XLRQAUHWWOEJEL-FQEVSTJZSA-N 0 1 386.448 3.663 20 5 GHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H](CC(F)(F)F)c2ccccc2)s1 ZINC000512775387 845487704 /nfs/dbraw/zinc/48/77/04/845487704.db2.gz UWOGDVZLYGYVAE-JTQLQIEISA-N 0 1 380.369 3.628 20 5 GHBDMN COc1ccc(OCCN2CCC(c3ncc(C)s3)CC2)c([N+](=O)[O-])c1 ZINC000433158419 845542570 /nfs/dbraw/zinc/54/25/70/845542570.db2.gz PJQBPFRYFROXPR-UHFFFAOYSA-N 0 1 377.466 3.627 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C)cc(Br)c2O)c1 ZINC000182921621 845595180 /nfs/dbraw/zinc/59/51/80/845595180.db2.gz NSMXMRJSYMEPFN-UHFFFAOYSA-N 0 1 381.182 3.632 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@@H]2Cc2ccccc2Cl)c1[N+](=O)[O-] ZINC000433993385 845705661 /nfs/dbraw/zinc/70/56/61/845705661.db2.gz MYOGUHITWDQAIU-CYBMUJFWSA-N 0 1 376.844 3.942 20 5 GHBDMN CO[C@H](c1ccccc1Cl)[C@H](C)NCC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000481525924 861601249 /nfs/dbraw/zinc/60/12/49/861601249.db2.gz DMTBJAXLTPEWGM-DJJJIMSYSA-N 0 1 391.855 3.861 20 5 GHBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN(C)C[C@H]2CCCOC2)cc1OC ZINC000543846041 845765786 /nfs/dbraw/zinc/76/57/86/845765786.db2.gz YVIXDSHHGOSANX-JKSUJKDBSA-N 0 1 380.485 3.887 20 5 GHBDMN C[C@@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1cccc(C(F)(F)F)c1 ZINC000119684463 845880881 /nfs/dbraw/zinc/88/08/81/845880881.db2.gz SMJUBPTZNFCQPS-GFCCVEGCSA-N 0 1 393.365 3.854 20 5 GHBDMN CCO[C@@H]1C[C@@H](N(C)Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C12CCCCC2 ZINC001167540029 846108009 /nfs/dbraw/zinc/10/80/09/846108009.db2.gz UICFAZBVYMRYPU-RTBURBONSA-N 0 1 390.480 3.941 20 5 GHBDMN COc1cc(CN[C@]2(Cc3ccc(Cl)cc3)CCOC2)c([N+](=O)[O-])cc1F ZINC000502604024 846245116 /nfs/dbraw/zinc/24/51/16/846245116.db2.gz YMXBQPIRKOFOEI-IBGZPJMESA-N 0 1 394.830 3.887 20 5 GHBDMN O=[N+]([O-])c1ccc(OCCN2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)cc1 ZINC000503182117 846887698 /nfs/dbraw/zinc/88/76/98/846887698.db2.gz LRKHDRVNWBOXIZ-GOSISDBHSA-N 0 1 379.420 3.596 20 5 GHBDMN CC(C)(CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccc(F)cc1Cl ZINC000303498701 861749167 /nfs/dbraw/zinc/74/91/67/861749167.db2.gz BIHFYIDLTGVFBY-UHFFFAOYSA-N 0 1 390.802 3.971 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N(CCc2ccccc2)Cc2cccnc2)c1[N+](=O)[O-] ZINC000434187622 847388914 /nfs/dbraw/zinc/38/89/14/847388914.db2.gz SDYXEGOOWWPKDE-UHFFFAOYSA-N 0 1 393.447 3.721 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@]1(c2ccc(Cl)cc2)C[C@H]1C ZINC000503412820 847677431 /nfs/dbraw/zinc/67/74/31/847677431.db2.gz PRMYQVYZHBJBIE-BLVKFPJESA-N 0 1 389.839 3.720 20 5 GHBDMN Cc1cc(NC2CCN(C(=O)c3ccco3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000272886445 861828357 /nfs/dbraw/zinc/82/83/57/861828357.db2.gz WXRZMGOMUKCGPV-UHFFFAOYSA-N 0 1 380.404 3.761 20 5 GHBDMN COc1ccc(NC(=O)CN[C@@H](C)c2oc3ccccc3c2C)c([N+](=O)[O-])c1 ZINC000183537641 847856948 /nfs/dbraw/zinc/85/69/48/847856948.db2.gz UYDVFJLZWQTUGP-ZDUSSCGKSA-N 0 1 383.404 3.947 20 5 GHBDMN CCN(c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)cc1)C(C)C ZINC000731781331 861887090 /nfs/dbraw/zinc/88/70/90/861887090.db2.gz MGHKLJNUNHDXEL-UHFFFAOYSA-N 0 1 393.465 3.639 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H](C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000161537503 848650526 /nfs/dbraw/zinc/65/05/26/848650526.db2.gz HYSCYYKYHSGMRH-HUUCEWRRSA-N 0 1 391.493 3.565 20 5 GHBDMN O=C(CCN1CCc2c(cccc2[N+](=O)[O-])C1)N[C@@H]1CCCc2ccccc21 ZINC000536003307 849727076 /nfs/dbraw/zinc/72/70/76/849727076.db2.gz PIZYERCUACJKFV-HXUWFJFHSA-N 0 1 379.460 3.537 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CC[C@H](c2ccccc2)[C@@H]1C ZINC000434907288 849889634 /nfs/dbraw/zinc/88/96/34/849889634.db2.gz WRYIJTVQRJQFTQ-MPGHIAIKSA-N 0 1 383.448 3.808 20 5 GHBDMN CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])c1 ZINC000506625393 850170033 /nfs/dbraw/zinc/17/00/33/850170033.db2.gz SRCQXNXZUNYMFL-UHFFFAOYSA-N 0 1 380.404 3.921 20 5 GHBDMN COC(=O)c1cnc([C@H](C)N[C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])s1 ZINC000424335995 850371169 /nfs/dbraw/zinc/37/11/69/850371169.db2.gz XHDMDJKHBKJPDO-YDHLFZDLSA-N 0 1 389.477 3.900 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@](F)(c2ccccc2)C1 ZINC000514877470 850399886 /nfs/dbraw/zinc/39/98/86/850399886.db2.gz LQHYTXRECBXWKQ-HXUWFJFHSA-N 0 1 387.411 3.503 20 5 GHBDMN CC(C)([C@@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)c1ccc(F)c(F)c1)N1CCCC1 ZINC000487120406 850473823 /nfs/dbraw/zinc/47/38/23/850473823.db2.gz VZPCHQJAPQFMAQ-KRWDZBQOSA-N 0 1 392.406 3.547 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(CCCO)[C@H]1CCCc2ccccc21 ZINC000174909142 851076764 /nfs/dbraw/zinc/07/67/64/851076764.db2.gz JCKACMCOARRYCW-NRFANRHFSA-N 0 1 397.475 3.604 20 5 GHBDMN COc1ccc([C@H](C)[NH2+]Cc2cc([O-])ccc2[N+](=O)[O-])cc1Br ZINC000559147032 862206764 /nfs/dbraw/zinc/20/67/64/862206764.db2.gz KFCPZIFJYKVHMR-JTQLQIEISA-N 0 1 381.226 3.922 20 5 GHBDMN O=C(CNC1(c2ccc(F)cc2)CCC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000604564857 862303172 /nfs/dbraw/zinc/30/31/72/862303172.db2.gz YVXWYMOBMYCQNY-UHFFFAOYSA-N 0 1 377.803 3.995 20 5 GHBDMN CCC(=O)c1ccc(O)c(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 ZINC000436647347 852157747 /nfs/dbraw/zinc/15/77/47/852157747.db2.gz JSWODPULGDZVFE-UHFFFAOYSA-N 0 1 383.404 3.746 20 5 GHBDMN O=C(c1c(O)cc(Cl)cc1Cl)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000436756828 852303180 /nfs/dbraw/zinc/30/31/80/852303180.db2.gz QMGKVPVQFGWMET-UHFFFAOYSA-N 0 1 396.230 3.570 20 5 GHBDMN COc1ccc2c(c1)CCC[C@@H]2N(C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000507174749 852644631 /nfs/dbraw/zinc/64/46/31/852644631.db2.gz SKPHRSXEWBXKHR-FQEVSTJZSA-N 0 1 384.432 3.979 20 5 GHBDMN COc1ccc(NC(=O)N2C[C@H](C)N(Cc3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000543891558 852820390 /nfs/dbraw/zinc/82/03/90/852820390.db2.gz VUYKPDBWDXMJTL-JKSUJKDBSA-N 0 1 398.463 3.730 20 5 GHBDMN O=C(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000507372012 852851284 /nfs/dbraw/zinc/85/12/84/852851284.db2.gz SPDKVLWBGOARKO-LLVKDONJSA-N 0 1 396.230 3.616 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN2CCSCC2)cc1 ZINC000506368985 852893538 /nfs/dbraw/zinc/89/35/38/852893538.db2.gz JRXUDEKUFQFYBX-UHFFFAOYSA-N 0 1 380.473 3.996 20 5 GHBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000490360520 852980589 /nfs/dbraw/zinc/98/05/89/852980589.db2.gz DFDYQQHSTDXXTD-GHMZBOCLSA-N 0 1 383.330 3.687 20 5 GHBDMN O=C(N[C@H](CCc1ccccc1)C(F)(F)F)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000482045427 862656774 /nfs/dbraw/zinc/65/67/74/862656774.db2.gz HLPUUJJCESBRTC-OAHLLOKOSA-N 0 1 392.337 3.765 20 5 GHBDMN Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2ccccc2Nc2ccncc2)c1 ZINC000590540624 855470029 /nfs/dbraw/zinc/47/00/29/855470029.db2.gz WISFPDPDRLOXMP-UHFFFAOYSA-N 0 1 392.415 3.871 20 5 GHBDMN Cc1cc(C2CCN(C(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)n[nH]1 ZINC000273628637 855851892 /nfs/dbraw/zinc/85/18/92/855851892.db2.gz QALVNALRKVCNPQ-UHFFFAOYSA-N 0 1 382.342 3.665 20 5 GHBDMN Cc1cc(C(=O)Nc2ccc3nc(-c4ccco4)[nH]c3c2)c(N)c([N+](=O)[O-])c1 ZINC000729523342 856054196 /nfs/dbraw/zinc/05/41/96/856054196.db2.gz ABYLCWZUQLITOP-UHFFFAOYSA-N 0 1 377.360 3.874 20 5 GHBDMN O=C(Nc1nc(-c2cc3ccccc3o2)n[nH]1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000485125408 856138927 /nfs/dbraw/zinc/13/89/27/856138927.db2.gz COGOHQZHEBGPPO-UHFFFAOYSA-N 0 1 388.343 3.860 20 5 GHBDMN O=[N+]([O-])c1cnc(Sc2nc(-c3ccccc3)n[nH]2)c(Br)c1 ZINC000485182314 856202298 /nfs/dbraw/zinc/20/22/98/856202298.db2.gz VRMVNQOKGPFSFH-UHFFFAOYSA-N 0 1 378.211 3.689 20 5 GHBDMN O=[N+]([O-])c1ccccc1CN(Cc1ccc2c(c1)OCCO2)[C@H]1CC[C@H](O)CC1 ZINC000592133595 856662095 /nfs/dbraw/zinc/66/20/95/856662095.db2.gz YMXFGMCJZBZANJ-WGSAOQKQSA-N 0 1 398.459 3.672 20 5 GHBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN(C)C[C@H]2CCC[C@H]2O)cc1OC ZINC000542915785 856784436 /nfs/dbraw/zinc/78/44/36/856784436.db2.gz OOOKLXCCYBRIBM-HDMKZQKVSA-N 0 1 380.485 3.621 20 5 GHBDMN O=C(c1cc(-c2cccs2)[nH]n1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000173644316 857054743 /nfs/dbraw/zinc/05/47/43/857054743.db2.gz RCDWMSFSBGBFRA-UHFFFAOYSA-N 0 1 398.444 3.730 20 5 GHBDMN COc1ccccc1C[C@@H](C)N(C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000173695557 857092389 /nfs/dbraw/zinc/09/23/89/857092389.db2.gz FBRSETAOQWFBBB-CQSZACIVSA-N 0 1 382.420 3.716 20 5 GHBDMN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)Nc1cc(Cl)cc(F)c1F ZINC000442247802 857652740 /nfs/dbraw/zinc/65/27/40/857652740.db2.gz GEIWWMBJWDUNIR-UHFFFAOYSA-N 0 1 383.159 3.981 20 5 GHBDMN CC(C)(CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000521153092 857671344 /nfs/dbraw/zinc/67/13/44/857671344.db2.gz MVFBEEHVTGBTOM-UHFFFAOYSA-N 0 1 386.832 3.643 20 5 GHBDMN COc1ccccc1NC(=O)C1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255527462 857958728 /nfs/dbraw/zinc/95/87/28/857958728.db2.gz ZAGLBQNLGOBGEB-VURMDHGXSA-N 0 1 395.459 3.967 20 5 GHBDMN COc1cccc2c1OCC[C@@H]2NCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000594524175 858210703 /nfs/dbraw/zinc/21/07/03/858210703.db2.gz WTRUOUJLDIADBY-SFHVURJKSA-N 0 1 394.431 3.617 20 5 GHBDMN CC(C)Oc1ccccc1[C@@H](C)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000521771913 858299778 /nfs/dbraw/zinc/29/97/78/858299778.db2.gz ACRMNQAGAMUENM-GFCCVEGCSA-N 0 1 382.413 3.561 20 5 GHBDMN O=[N+]([O-])c1ccccc1CN[C@H]1CCc2ccc(I)cc21 ZINC000595016381 858351377 /nfs/dbraw/zinc/35/13/77/858351377.db2.gz YKSNJOJILAFNQK-HNNXBMFYSA-N 0 1 394.212 3.977 20 5 GHBDMN CCCCN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@H]1CCc2ncsc2C1 ZINC000592899803 858364658 /nfs/dbraw/zinc/36/46/58/858364658.db2.gz DIWYBJRCKBXBPM-ZDUSSCGKSA-N 0 1 375.450 3.557 20 5 GHBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(NC(=O)C(C)C)c1 ZINC000067123935 858439930 /nfs/dbraw/zinc/43/99/30/858439930.db2.gz LOQXSQNDLHSQOJ-UHFFFAOYSA-N 0 1 391.449 3.553 20 5 GHBDMN CCOc1cc(-c2nc(-c3ccc(N)c([N+](=O)[O-])c3)no2)cc(Cl)c1O ZINC000443214554 858464316 /nfs/dbraw/zinc/46/43/16/858464316.db2.gz VFTJFOHSBWKJQJ-UHFFFAOYSA-N 0 1 376.756 3.652 20 5 GHBDMN CCN1C(=O)c2cc(Cl)ccc2N[C@H]1c1cc(OC)c(O)c([N+](=O)[O-])c1 ZINC000067454366 858574006 /nfs/dbraw/zinc/57/40/06/858574006.db2.gz DHSKKOSWLVIVAF-MRXNPFEDSA-N 0 1 377.784 3.549 20 5 GHBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@@H](N(C)c2ccccc2)C1 ZINC000595829801 858702507 /nfs/dbraw/zinc/70/25/07/858702507.db2.gz YXDOCFZISPTKIZ-DNVCBOLYSA-N 0 1 393.447 3.917 20 5 GHBDMN CC(C)(C)N1CCc2nc(NC(=O)Cc3ccc(F)cc3[N+](=O)[O-])sc2C1 ZINC000593176861 858887513 /nfs/dbraw/zinc/88/75/13/858887513.db2.gz YGZBZBXJGXPCHX-UHFFFAOYSA-N 0 1 392.456 3.528 20 5 GHBDMN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000185021933 858897053 /nfs/dbraw/zinc/89/70/53/858897053.db2.gz CCJCDGRNKJNIFH-MJGOQNOKSA-N 0 1 385.464 3.710 20 5 GHBDMN COc1cc(CN2CCC[C@H](CSC)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000429283011 858924164 /nfs/dbraw/zinc/92/41/64/858924164.db2.gz HRLBCXFHHIZROB-NSHDSACASA-N 0 1 376.425 3.780 20 5 GHBDMN COCCCCN1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000509309491 859016867 /nfs/dbraw/zinc/01/68/67/859016867.db2.gz FPWXITMIQHMEGI-UHFFFAOYSA-N 0 1 389.521 3.868 20 5 GHBDMN CCc1nn(C)c(NC[C@@H](c2cccc(Cl)c2)N2CCCC2)c1[N+](=O)[O-] ZINC000301921861 859035924 /nfs/dbraw/zinc/03/59/24/859035924.db2.gz DUKQNISGYGTOIL-INIZCTEOSA-N 0 1 377.876 3.793 20 5 GHBDMN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCN1Cc1ccccc1 ZINC000596953792 859193504 /nfs/dbraw/zinc/19/35/04/859193504.db2.gz CWYRKDFAWYCSDQ-NRFANRHFSA-N 0 1 396.491 3.789 20 5 GHBDMN Cc1cc(CNCc2ccccc2[N+](=O)[O-])ccc1I ZINC000466365306 859234990 /nfs/dbraw/zinc/23/49/90/859234990.db2.gz VONLOOWDHQVILX-UHFFFAOYSA-N 0 1 382.201 3.798 20 5 GHBDMN COc1ccc(C[C@@H](C)N2CCc3cc(OC)c(OC)cc3C2)c([N+](=O)[O-])c1 ZINC001170348223 881472630 /nfs/dbraw/zinc/47/26/30/881472630.db2.gz VTSWJLOPLIOUAB-CQSZACIVSA-N 0 1 386.448 3.610 20 5 GHBDMN COC(=O)COc1ccc(CN[C@H]2CCc3c2cccc3Cl)cc1[N+](=O)[O-] ZINC000474359030 859922236 /nfs/dbraw/zinc/92/22/36/859922236.db2.gz ZFTPVQISXDWVJJ-INIZCTEOSA-N 0 1 390.823 3.577 20 5 GHBDMN CCOc1ccc(C2=CCN(C(=O)c3[nH]nc4ccc([N+](=O)[O-])cc43)CC2)cc1 ZINC000091925581 859960973 /nfs/dbraw/zinc/96/09/73/859960973.db2.gz QOQMCIISWDALAY-UHFFFAOYSA-N 0 1 392.415 3.799 20 5 GHBDMN CCCC(=O)NC[C@@H]1CCCN(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602453407 860028683 /nfs/dbraw/zinc/02/86/83/860028683.db2.gz IOJQFJJISPRRFN-ZDUSSCGKSA-N 0 1 387.402 3.742 20 5 GHBDMN CCCC(=O)NC[C@H]1CCCN(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602453405 860028716 /nfs/dbraw/zinc/02/87/16/860028716.db2.gz IOJQFJJISPRRFN-CYBMUJFWSA-N 0 1 387.402 3.742 20 5 GHBDMN COC(=O)[C@H](C)Oc1ccc(CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000154272355 860044219 /nfs/dbraw/zinc/04/42/19/860044219.db2.gz HMLJONGOPKJKMR-HNNXBMFYSA-N 0 1 384.432 3.700 20 5 GHBDMN COC(=O)[C@H](C)Oc1ccc(CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000154297588 860053604 /nfs/dbraw/zinc/05/36/04/860053604.db2.gz HYFVQDZFNYORDM-HNNXBMFYSA-N 0 1 384.432 3.700 20 5 GHBDMN O=C(Nc1cc(F)cc(Cl)c1O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000474450901 860123458 /nfs/dbraw/zinc/12/34/58/860123458.db2.gz XVCABYRBEGVJMX-UHFFFAOYSA-N 0 1 376.674 3.947 20 5 GHBDMN COc1ccccc1[C@@H](CNc1ccc([N+](=O)[O-])cc1OC(F)F)N(C)C ZINC000509066612 860779015 /nfs/dbraw/zinc/77/90/15/860779015.db2.gz JGGUVUNXKZBMLC-OAHLLOKOSA-N 0 1 381.379 3.920 20 5 GHBDMN C[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1csc2ccccc21 ZINC000730018977 860841578 /nfs/dbraw/zinc/84/15/78/860841578.db2.gz YMCQLTHKCAJFHR-JTQLQIEISA-N 0 1 380.422 3.988 20 5 GHBDMN Cc1ccc2nc([C@H]3CCCN3C(=O)COc3ccc([N+](=O)[O-])c(F)c3)[nH]c2c1 ZINC000061228218 861062190 /nfs/dbraw/zinc/06/21/90/861062190.db2.gz DCFSJFQJTCJLAJ-GOSISDBHSA-N 0 1 398.394 3.661 20 5 GHBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN(Cc1ccccc1)CC1CCOCC1 ZINC000111261452 861065622 /nfs/dbraw/zinc/06/56/22/861065622.db2.gz VUNPESRRJFUYAI-UHFFFAOYSA-N 0 1 397.475 3.771 20 5 GHBDMN CSCCN[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000603743886 861111171 /nfs/dbraw/zinc/11/11/71/861111171.db2.gz WCTSEDQBWIHFDX-MRXNPFEDSA-N 0 1 379.869 3.881 20 5 GHBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000609196851 881629082 /nfs/dbraw/zinc/62/90/82/881629082.db2.gz UFOMQWGJKOOASV-MRXNPFEDSA-N 0 1 382.388 3.693 20 5 GHBDMN CCO[C@@H]1C[C@@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)[C@H]1OC ZINC000482511632 863241565 /nfs/dbraw/zinc/24/15/65/863241565.db2.gz NRDQGFUZHJTMEM-KBAYOESNSA-N 0 1 380.828 3.790 20 5 GHBDMN C[C@@H](c1nc(Cc2nnc(-c3ccccc3)[nH]2)no1)c1ccc([N+](=O)[O-])cc1F ZINC000546499625 863988840 /nfs/dbraw/zinc/98/88/40/863988840.db2.gz ZRAZWNUYQAJUSA-LLVKDONJSA-N 0 1 394.366 3.645 20 5 GHBDMN O=[N+]([O-])c1ccc(CN2CCC[C@H]2Cn2cnc3ccccc32)c([N+](=O)[O-])c1 ZINC000792870714 881741922 /nfs/dbraw/zinc/74/19/22/881741922.db2.gz JLIUUKYNVDGWKG-INIZCTEOSA-N 0 1 381.392 3.517 20 5 GHBDMN C[C@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)c1nc(-c2ccccc2)cs1 ZINC000184514990 864624770 /nfs/dbraw/zinc/62/47/70/864624770.db2.gz ZDBZBEOLHIINOD-YOEHRIQHSA-N 0 1 399.472 3.809 20 5 GHBDMN C[C@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1nc(-c2ccccc2)cs1 ZINC000184515027 864625829 /nfs/dbraw/zinc/62/58/29/864625829.db2.gz ZDBZBEOLHIINOD-WMLDXEAASA-N 0 1 399.472 3.809 20 5 GHBDMN C[C@@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000716275981 865384418 /nfs/dbraw/zinc/38/44/18/865384418.db2.gz DUMSCTCDICUCRF-AUUYWEPGSA-N 0 1 387.867 3.889 20 5 GHBDMN Cc1nn(CCC(=O)Nc2ccc3nc(C4CCC4)[nH]c3c2)c(C)c1[N+](=O)[O-] ZINC000608814056 865715958 /nfs/dbraw/zinc/71/59/58/865715958.db2.gz NVKGSFVPKTWBQE-UHFFFAOYSA-N 0 1 382.424 3.581 20 5 GHBDMN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000456593457 866014723 /nfs/dbraw/zinc/01/47/23/866014723.db2.gz RWOPVXQUWYXKIC-SFHVURJKSA-N 0 1 378.388 3.945 20 5 GHBDMN C[C@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)N1Cc2ccccc2C1 ZINC000475499321 866099439 /nfs/dbraw/zinc/09/94/39/866099439.db2.gz UDBMWLRUQDASEX-HNNXBMFYSA-N 0 1 391.427 3.875 20 5 GHBDMN COC[C@@H](CO)NCc1ccc(Oc2cc(C)ccc2C(C)C)c([N+](=O)[O-])c1 ZINC000475505759 866105009 /nfs/dbraw/zinc/10/50/09/866105009.db2.gz AYBGXQBTAYUPJE-QGZVFWFLSA-N 0 1 388.464 3.916 20 5 GHBDMN C[C@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1-n1cccn1 ZINC000183170804 866312280 /nfs/dbraw/zinc/31/22/80/866312280.db2.gz AQYOHVMEDSMTJP-ZDUSSCGKSA-N 0 1 399.838 3.723 20 5 GHBDMN Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000475600049 866641726 /nfs/dbraw/zinc/64/17/26/866641726.db2.gz JDFZIBKDUTYFMZ-UHFFFAOYSA-N 0 1 397.431 3.733 20 5 GHBDMN CCCOc1cc(NC(=O)C23CCCN2CCC3)c([N+](=O)[O-])cc1OCCC ZINC000414749764 867134369 /nfs/dbraw/zinc/13/43/69/867134369.db2.gz YYWAKTUHJWPXGQ-UHFFFAOYSA-N 0 1 391.468 3.739 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2cnn(CN3CC[C@@H](COCc4ccccc4)C3)c2)cc1 ZINC000742177418 867137952 /nfs/dbraw/zinc/13/79/52/867137952.db2.gz FSVSAFMPGNEPLO-LJQANCHMSA-N 0 1 392.459 3.955 20 5 GHBDMN CCO[C@H]1C[C@H](NCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C12CCCCC2 ZINC000429790045 867335814 /nfs/dbraw/zinc/33/58/14/867335814.db2.gz SREHNYCHINCDJI-IRXDYDNUSA-N 0 1 386.452 3.862 20 5 GHBDMN Cc1c(Br)c(N(C)Cc2cc(C(C)(C)C)[nH]n2)ncc1[N+](=O)[O-] ZINC000444879312 867386853 /nfs/dbraw/zinc/38/68/53/867386853.db2.gz SVQXEXYDDDLFNX-UHFFFAOYSA-N 0 1 382.262 3.718 20 5 GHBDMN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000440730854 868287719 /nfs/dbraw/zinc/28/77/19/868287719.db2.gz FOBLFKOTTOWLGR-MRXNPFEDSA-N 0 1 385.811 3.805 20 5 GHBDMN Cc1nc2ccc(NC(=O)c3ccc(Br)cc3[N+](=O)[O-])cc2[nH]1 ZINC000479773980 868467936 /nfs/dbraw/zinc/46/79/36/868467936.db2.gz KTRVZOWWCFLVRG-UHFFFAOYSA-N 0 1 375.182 3.794 20 5 GHBDMN C[C@H](C1CC1)N(CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)Cc1ccccc1 ZINC000029842756 869209891 /nfs/dbraw/zinc/20/98/91/869209891.db2.gz FVACDYQBKVYYCP-CQSZACIVSA-N 0 1 397.431 3.563 20 5 GHBDMN COc1ccc(C2CCN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)CC2)cc1 ZINC000524791762 869576924 /nfs/dbraw/zinc/57/69/24/869576924.db2.gz HGUYBPWESOMGCX-UHFFFAOYSA-N 0 1 384.432 3.850 20 5 GHBDMN COc1cc2c(c(OC)c1OC)CCN(Cc1ccc(C)c([N+](=O)[O-])c1)CC2 ZINC000539824908 869832005 /nfs/dbraw/zinc/83/20/05/869832005.db2.gz KHYHQKOOICQCIF-UHFFFAOYSA-N 0 1 386.448 3.530 20 5 GHBDMN CCCN(C(=O)c1n[nH]c(C)c1[N+](=O)[O-])[C@H]1C[C@@H](OCC)C12CCCCC2 ZINC000525083454 869974015 /nfs/dbraw/zinc/97/40/15/869974015.db2.gz HUXNFGIRQKHYOO-LSDHHAIUSA-N 0 1 378.473 3.606 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N2CCn3c(cc4ccc(Cl)cc43)C2)c1[N+](=O)[O-] ZINC000446771004 870327468 /nfs/dbraw/zinc/32/74/68/870327468.db2.gz WMNPELHOUDSSLB-UHFFFAOYSA-N 0 1 387.827 3.705 20 5 GHBDMN Cc1cccc(CN2CCN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)CC2)c1 ZINC000462927580 870425052 /nfs/dbraw/zinc/42/50/52/870425052.db2.gz UKMNBYUHEJWVPC-UHFFFAOYSA-N 0 1 377.391 3.827 20 5 GHBDMN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](c1ccc(F)cc1)N(C)C ZINC000462922297 870453001 /nfs/dbraw/zinc/45/30/01/870453001.db2.gz BSCHQDUWJNUNAG-OXJNMPFZSA-N 0 1 387.455 3.722 20 5 GHBDMN COc1ccc(OCCN(C)[C@]2(c3ccccc3)CCCCC2=O)c([N+](=O)[O-])c1 ZINC001193461911 871111516 /nfs/dbraw/zinc/11/15/16/871111516.db2.gz RCQASVRJEMAULB-QFIPXVFZSA-N 0 1 398.459 3.953 20 5 GHBDMN C[C@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1cc2cccc(F)c2o1 ZINC000475708538 882479738 /nfs/dbraw/zinc/47/97/38/882479738.db2.gz HVKLYUYICBDSFQ-LBPRGKRZSA-N 0 1 383.379 3.720 20 5 GHBDMN O=C(N[C@H]1CCCOc2c(Cl)cccc21)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000540531029 871503027 /nfs/dbraw/zinc/50/30/27/871503027.db2.gz OPFPWHQNAVNSFR-AWEZNQCLSA-N 0 1 386.795 3.768 20 5 GHBDMN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000462167778 871728946 /nfs/dbraw/zinc/72/89/46/871728946.db2.gz CFFNKIPIRITNMJ-APWZRJJASA-N 0 1 381.476 3.770 20 5 GHBDMN Cc1ccc([C@H](C)NCC(=O)NCCCSc2ccccc2)cc1[N+](=O)[O-] ZINC000539380349 871863732 /nfs/dbraw/zinc/86/37/32/871863732.db2.gz KQMKODZUKSLSCD-INIZCTEOSA-N 0 1 387.505 3.852 20 5 GHBDMN O=C1[C@@H](N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCN1CCCc1ccccc1 ZINC000447583805 871883021 /nfs/dbraw/zinc/88/30/21/871883021.db2.gz CNMZABRRACCFFE-YADHBBJMSA-N 0 1 393.487 3.796 20 5 GHBDMN Cc1nc2ccc(S(=O)(=O)Nc3ccc([N+](=O)[O-])c(Cl)c3)cc2s1 ZINC000794027616 882558035 /nfs/dbraw/zinc/55/80/35/882558035.db2.gz ATRKCORSGAEAOZ-UHFFFAOYSA-N 0 1 383.838 3.967 20 5 GHBDMN Cc1nc(C(C)C)sc1[C@@H](C)N(C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182258023 872090080 /nfs/dbraw/zinc/09/00/80/872090080.db2.gz MELYQINZJFDECE-CABCVRRESA-N 0 1 393.509 3.916 20 5 GHBDMN CSc1cccc(C(=O)Nc2cccc3c2OCC[C@@H]3N(C)C)c1[N+](=O)[O-] ZINC000447721664 872208025 /nfs/dbraw/zinc/20/80/25/872208025.db2.gz GYVNLCQIRPOZIL-HNNXBMFYSA-N 0 1 387.461 3.954 20 5 GHBDMN CC[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC000182396487 872281790 /nfs/dbraw/zinc/28/17/90/872281790.db2.gz DZSYKEGIKOKEFB-KRWDZBQOSA-N 0 1 382.869 3.763 20 5 GHBDMN C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000768716434 873515783 /nfs/dbraw/zinc/51/57/83/873515783.db2.gz MHXZDKNJNVEIAD-OAHLLOKOSA-N 0 1 387.867 3.985 20 5 GHBDMN C[C@@H]1CCCC[N@H+]1Cc1ccc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000768866635 873629937 /nfs/dbraw/zinc/62/99/37/873629937.db2.gz NKVFHDMQWFXHFW-CYBMUJFWSA-N 0 1 395.506 3.832 20 5 GHBDMN CCOc1cc(CN2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)ccc1[N+](=O)[O-] ZINC000858050140 882788508 /nfs/dbraw/zinc/78/85/08/882788508.db2.gz DADXSSFLLLUZTM-GOSISDBHSA-N 0 1 383.448 3.919 20 5 GHBDMN COc1ccc(CN2CCOC[C@@H](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000769455711 874081539 /nfs/dbraw/zinc/08/15/39/874081539.db2.gz JNLQNRKCAQZIKX-INIZCTEOSA-N 0 1 386.448 3.651 20 5 GHBDMN C[C@H](NCc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000541687415 874093513 /nfs/dbraw/zinc/09/35/13/874093513.db2.gz SQTZFNMCJQRQIX-JMERFSKESA-N 0 1 380.404 3.688 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCC(=O)Nc1cccc(Br)c1 ZINC000541846222 874369539 /nfs/dbraw/zinc/36/95/39/874369539.db2.gz CATJOGPCJWDXGO-GFCCVEGCSA-N 0 1 392.253 3.955 20 5 GHBDMN Cc1ccc2nc([C@H]3CCCN(C(=O)c4cc(C)cc([N+](=O)[O-])c4N)C3)[nH]c2c1 ZINC000104876889 874815496 /nfs/dbraw/zinc/81/54/96/874815496.db2.gz FXGONRRJFCRACC-AWEZNQCLSA-N 0 1 393.447 3.690 20 5 GHBDMN O=[N+]([O-])c1ccc([C@@H]2CCCN(Cc3cnnn3Cc3ccccc3)C2)cc1 ZINC000449498888 874956901 /nfs/dbraw/zinc/95/69/01/874956901.db2.gz LIQNZYLXAFQENZ-LJQANCHMSA-N 0 1 377.448 3.614 20 5 GHBDMN COCC(COC)NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000449540141 875024087 /nfs/dbraw/zinc/02/40/87/875024087.db2.gz IYTGDOOJNVNBGI-UHFFFAOYSA-N 0 1 380.828 3.792 20 5 GHBDMN CN(Cc1cc(Cl)cc(Cl)c1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000542208661 875183360 /nfs/dbraw/zinc/18/33/60/875183360.db2.gz ICCOTYDQWDPMOK-HNNXBMFYSA-N 0 1 385.247 3.773 20 5 GHBDMN C[C@@H]1CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)C[C@@H](c2ccsc2)O1 ZINC000450163338 876027291 /nfs/dbraw/zinc/02/72/91/876027291.db2.gz SUXZWKAXRKDIRY-XIKOKIGWSA-N 0 1 398.444 3.649 20 5 GHBDMN CCc1[nH]nc(C(=O)N2CCc3sccc3[C@H]2c2cccs2)c1[N+](=O)[O-] ZINC000443920014 876727319 /nfs/dbraw/zinc/72/73/19/876727319.db2.gz KCMRCFIRXNYQDB-HNNXBMFYSA-N 0 1 388.474 3.791 20 5 GHBDMN O=c1[nH]nc([C@@H]2CCCN(c3cc(Cl)c(C(F)(F)F)cc3[N+](=O)[O-])C2)o1 ZINC000786551496 876786019 /nfs/dbraw/zinc/78/60/19/876786019.db2.gz NHZFFDVEAZVPLY-SSDOTTSWSA-N 0 1 392.721 3.740 20 5 GHBDMN O=c1[nH]nc(C2CCN(c3cc(Cl)c(C(F)(F)F)cc3[N+](=O)[O-])CC2)o1 ZINC000786554048 876787040 /nfs/dbraw/zinc/78/70/40/876787040.db2.gz HCNXFHCHEJOCLC-UHFFFAOYSA-N 0 1 392.721 3.740 20 5 GHBDMN CCc1[nH]n(Cc2ccccc2C)c(=O)c1CCNc1ncccc1[N+](=O)[O-] ZINC000450717421 876816443 /nfs/dbraw/zinc/81/64/43/876816443.db2.gz LMTXEPBHZATCHK-INIZCTEOSA-N 0 1 381.436 3.525 20 5 GHBDMN CCOc1cc(CNC(C)(C)C(=O)NCC2CCCCC2)ccc1[N+](=O)[O-] ZINC000492584993 877129110 /nfs/dbraw/zinc/12/91/10/877129110.db2.gz WEAWAVOLHNTEBZ-UHFFFAOYSA-N 0 1 377.485 3.558 20 5 GHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(COC3CCCC3)cc2)cc1 ZINC000610058649 877340074 /nfs/dbraw/zinc/34/00/74/877340074.db2.gz MCFMPDMRYNTLNM-UHFFFAOYSA-N 0 1 376.434 3.855 20 5 GHBDMN O=C(CNC1(c2ccccc2)CC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000477416944 877619940 /nfs/dbraw/zinc/61/99/40/877619940.db2.gz VJRDPYLQRVVEJZ-UHFFFAOYSA-N 0 1 390.237 3.575 20 5 GHBDMN CC(C)(C)N(CC(=O)Nc1ccc(F)cc1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776591447 878298833 /nfs/dbraw/zinc/29/88/33/878298833.db2.gz MIHCFHCRLKCNCR-GOSISDBHSA-N 0 1 389.427 3.507 20 5 GHBDMN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)c1 ZINC000788847538 878380675 /nfs/dbraw/zinc/38/06/75/878380675.db2.gz LDQDFTJMRXYSLF-UHFFFAOYSA-N 0 1 379.394 3.537 20 5 GHBDMN CC(C)(NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1Br ZINC000776605886 878489182 /nfs/dbraw/zinc/48/91/82/878489182.db2.gz QWNKSBUVTGPOBK-INIZCTEOSA-N 0 1 379.254 3.916 20 5 GHBDMN C[C@@H](NC(=O)NC[C@H](c1ccc(Cl)cc1)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000530839795 878585525 /nfs/dbraw/zinc/58/55/25/878585525.db2.gz YUMCIQYUUDSZGS-FZKQIMNGSA-N 0 1 390.871 3.911 20 5 GHBDMN CCOc1ccc(NC(=O)CN[C@@H](C)c2ccc3c(c2)CCCO3)c([N+](=O)[O-])c1 ZINC000852783277 878599108 /nfs/dbraw/zinc/59/91/08/878599108.db2.gz XWFLVSWJCNTOSN-AWEZNQCLSA-N 0 1 399.447 3.608 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)Cc1cc(F)c(F)c(F)c1 ZINC000180513096 879003406 /nfs/dbraw/zinc/00/34/06/879003406.db2.gz MLZOWNDFUGDQAV-UHFFFAOYSA-N 0 1 381.354 3.781 20 5 GHBDMN CN(C)[C@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000531067636 879060924 /nfs/dbraw/zinc/06/09/24/879060924.db2.gz FMXXPJKQWATTGM-GOSISDBHSA-N 0 1 389.883 3.945 20 5 GHBDMN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000761534043 879245637 /nfs/dbraw/zinc/24/56/37/879245637.db2.gz YZAJBFFNZLVLCY-OCCSQVGLSA-N 0 1 383.876 3.983 20 5 GHBDMN Cc1ccc(C)c(S(=O)(=O)Nc2c3nsnc3ccc2Cl)c1[N+](=O)[O-] ZINC000790634617 879874324 /nfs/dbraw/zinc/87/43/24/879874324.db2.gz COTBJSKVLZDWNA-UHFFFAOYSA-N 0 1 398.853 3.671 20 5 GHBDMN CC(C)C[C@H](NC(=O)OC(C)(C)C)c1noc(-c2cc(O)cc([N+](=O)[O-])c2)n1 ZINC000776770126 880203185 /nfs/dbraw/zinc/20/31/85/880203185.db2.gz ZLEMUBXTJMGJPM-AWEZNQCLSA-N 0 1 392.412 3.962 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCc3nc(C4CCCCC4)[nH]c3C2)c1 ZINC000791273117 880299088 /nfs/dbraw/zinc/29/90/88/880299088.db2.gz NHFCPRDHHCMASO-CQSZACIVSA-N 0 1 398.463 3.662 20 5 GHBDMN CC(C)Oc1ccccc1[C@@H](C)N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000609450965 883210960 /nfs/dbraw/zinc/21/09/60/883210960.db2.gz FBPAYPHFMDFLIB-DNVCBOLYSA-N 0 1 383.448 3.838 20 5 GHBDMN Cc1cccc(C)c1NC(=O)CCCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000153233033 884220405 /nfs/dbraw/zinc/22/04/05/884220405.db2.gz UHARQTSYWLDDKH-UHFFFAOYSA-N 0 1 396.491 3.753 20 5 GHBDMN Cc1c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cnn1-c1ccccc1 ZINC000152586138 884298545 /nfs/dbraw/zinc/29/85/45/884298545.db2.gz LBSUMYXLLLFTMI-UHFFFAOYSA-N 0 1 392.824 3.543 20 5 GHBDMN NC(=O)c1ccc(CNCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)cc1 ZINC000237747453 884839016 /nfs/dbraw/zinc/83/90/16/884839016.db2.gz QCFKLPPGLRFSDQ-UHFFFAOYSA-N 0 1 395.390 3.915 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)Nc2ccc3nc(-c4ccco4)[nH]c3c2)c1[N+](=O)[O-] ZINC000532461384 885559118 /nfs/dbraw/zinc/55/91/18/885559118.db2.gz GYZSQWWFDITBJX-UHFFFAOYSA-N 0 1 380.364 3.830 20 5 GHBDMN CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000808049233 885994193 /nfs/dbraw/zinc/99/41/93/885994193.db2.gz JSTOOINHRNRIPE-IBGZPJMESA-N 0 1 383.448 3.500 20 5 GHBDMN C[C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1Cl)N1CCc2ccccc2C1 ZINC000809912575 887934027 /nfs/dbraw/zinc/93/40/27/887934027.db2.gz HTJQZYFGPVZHBX-ZDUSSCGKSA-N 0 1 388.855 3.817 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1CN[C@H](C)c1ccc(N2CCCCC2=O)cc1 ZINC000810126381 888190783 /nfs/dbraw/zinc/19/07/83/888190783.db2.gz GLRDCDISPLBLJM-OAHLLOKOSA-N 0 1 383.448 3.971 20 5 GHBDMN O=C(Nc1ccncc1[N+](=O)[O-])N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000272736393 888531063 /nfs/dbraw/zinc/53/10/63/888531063.db2.gz QDLUJBDKBPHJOX-CQSZACIVSA-N 0 1 399.455 3.567 20 5 GHBDMN C[C@]1(c2ccc(F)cc2)CCN(Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000794891179 888717861 /nfs/dbraw/zinc/71/78/61/888717861.db2.gz CXRCTCTZKPHEAI-FQEVSTJZSA-N 0 1 381.411 3.614 20 5 GHBDMN C[C@@]1(c2ccc(F)cc2)CCN(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000794899937 888749288 /nfs/dbraw/zinc/74/92/88/888749288.db2.gz JWJMEBNESUPLIP-HXUWFJFHSA-N 0 1 381.411 3.614 20 5 GHBDMN CCN1C(=O)c2ccc(Cl)cc2N[C@@H]1c1cc(OC)c(O)c([N+](=O)[O-])c1 ZINC000054701789 889514801 /nfs/dbraw/zinc/51/48/01/889514801.db2.gz CNSYHJZJKJPGMJ-INIZCTEOSA-N 0 1 377.784 3.549 20 5 GHBDMN CCN1CC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC001132801316 889588363 /nfs/dbraw/zinc/58/83/63/889588363.db2.gz ONLWJUDCJSUIMZ-MRXNPFEDSA-N 0 1 377.510 3.701 20 5 GHBDMN COCc1cc(Cl)cc(S(=O)(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000811675671 889861786 /nfs/dbraw/zinc/86/17/86/889861786.db2.gz KOLDJZSWMDMZFE-UHFFFAOYSA-N 0 1 391.232 3.849 20 5 GHBDMN COCc1cc(Cl)cc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)c1 ZINC000811826616 890044379 /nfs/dbraw/zinc/04/43/79/890044379.db2.gz WXFXJRZYHRMVOF-UHFFFAOYSA-N 0 1 391.232 3.849 20 5 GHBDMN CCC[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000533292725 890209045 /nfs/dbraw/zinc/20/90/45/890209045.db2.gz DNZWDWUMXISYJQ-RTBURBONSA-N 0 1 389.496 3.644 20 5 GHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCCSC[C@H]1c1ccccc1 ZINC001133148831 890340216 /nfs/dbraw/zinc/34/02/16/890340216.db2.gz JAAHJAJRVYDNAM-KRWDZBQOSA-N 0 1 382.445 3.792 20 5 GHBDMN COc1ccc(NC(=O)[C@H](C)N[C@H](c2ncccc2C)C(C)C)c([N+](=O)[O-])c1 ZINC000533381688 890389852 /nfs/dbraw/zinc/38/98/52/890389852.db2.gz WLYMKTHTXKZQBN-KSSFIOAISA-N 0 1 386.452 3.621 20 5 GHBDMN CCN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H](C)[C@@H](O)c1ccccc1 ZINC000812848557 891038993 /nfs/dbraw/zinc/03/89/93/891038993.db2.gz KWSQXPJXPKCNSQ-AUUYWEPGSA-N 0 1 382.420 3.589 20 5 GHBDMN COc1ccc([C@H](O)C2CCN(Cc3ccc([N+](=O)[O-])c(OC)c3)CC2)cc1 ZINC000812855426 891049478 /nfs/dbraw/zinc/04/94/78/891049478.db2.gz LYUOTNAKXBJCHB-NRFANRHFSA-N 0 1 386.448 3.558 20 5 GHBDMN CCCCCC[C@H](C)C(=O)Nc1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC001134198120 892461150 /nfs/dbraw/zinc/46/11/50/892461150.db2.gz SAMKRWOGHNBKNY-INIZCTEOSA-N 0 1 376.501 3.892 20 5 GHBDMN COCc1cc([N+](=O)[O-])ccc1NC[C@@H]1CSCCN1Cc1ccccc1 ZINC000428665617 893145638 /nfs/dbraw/zinc/14/56/38/893145638.db2.gz FBLPUUKLPVIGCG-LJQANCHMSA-N 0 1 387.505 3.771 20 5 GHBDMN C[C@]1(Cc2cccc(F)c2)CCCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000563961512 894375541 /nfs/dbraw/zinc/37/55/41/894375541.db2.gz ZETPJLYVFLESDO-HXUWFJFHSA-N 0 1 382.395 3.848 20 5 GHBDMN COC[C@H]1CCCN(Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CC1 ZINC000878692945 894516196 /nfs/dbraw/zinc/51/61/96/894516196.db2.gz HTSXABIQAMJXPC-LBPRGKRZSA-N 0 1 380.832 3.547 20 5 GHBDMN O=C([O-])c1cc(N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000565037021 895361181 /nfs/dbraw/zinc/36/11/81/895361181.db2.gz ZKOASMBKGIDKMI-FXAWDEMLSA-N 0 1 395.459 3.784 20 5 GHBDMN O=[N+]([O-])c1cccc([C@H](O)CN[C@H]2CSc3ccc(Br)cc32)c1 ZINC000819270504 896557685 /nfs/dbraw/zinc/55/76/85/896557685.db2.gz ASHWYJDKVAEEOJ-LSDHHAIUSA-N 0 1 395.278 3.827 20 5 GHBDMN O=[N+]([O-])c1cccc([C@@H](O)CN[C@H]2CSc3ccc(Br)cc32)c1 ZINC000819270502 896557942 /nfs/dbraw/zinc/55/79/42/896557942.db2.gz ASHWYJDKVAEEOJ-GJZGRUSLSA-N 0 1 395.278 3.827 20 5 GHBDMN Cc1cc(S(=O)(=O)Nc2ccc(F)cc2OC(C)C)cc([N+](=O)[O-])c1F ZINC000778567285 896808809 /nfs/dbraw/zinc/80/88/09/896808809.db2.gz SBASMYZRIQXGKV-UHFFFAOYSA-N 0 1 386.376 3.769 20 5 GHBDMN C[C@H]1CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)C[C@H](c2ccccc2)O1 ZINC001136373870 897508581 /nfs/dbraw/zinc/50/85/81/897508581.db2.gz OCEYPZLIZREQEU-VBKZILBWSA-N 0 1 392.415 3.587 20 5 GHBDMN CN1CC[C@H](NCc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H]1c1ccc(F)c(F)c1 ZINC000289410295 914174545 /nfs/dbraw/zinc/17/45/45/914174545.db2.gz PFSWJJQFGNQGOK-KXBFYZLASA-N 0 1 388.374 3.549 20 5 GHBDMN CN(C(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)C1CCN(CCC(F)(F)F)CC1 ZINC000822149998 898236384 /nfs/dbraw/zinc/23/63/84/898236384.db2.gz AMTGLMHHYBQWCJ-IRXDYDNUSA-N 0 1 399.413 3.574 20 5 GHBDMN CC(C)(C)OC(=O)N1CC[C@]2(C1)CCCN(Cc1ccccc1[N+](=O)[O-])C2 ZINC000805794528 898506926 /nfs/dbraw/zinc/50/69/26/898506926.db2.gz VVMBBYYROBRMMB-HXUWFJFHSA-N 0 1 375.469 3.818 20 5 GHBDMN CCc1c(NC(=O)c2cc([N+](=O)[O-])ccc2SC)[nH]nc1-c1ccncc1 ZINC001136611694 898537956 /nfs/dbraw/zinc/53/79/56/898537956.db2.gz ZGZJLSDAVPLRLD-UHFFFAOYSA-N 0 1 383.433 3.917 20 5 GHBDMN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000289702230 914304433 /nfs/dbraw/zinc/30/44/33/914304433.db2.gz HFBAJODJGITWIE-AWEZNQCLSA-N 0 1 384.440 3.564 20 5 GHBDMN COc1ccc([C@H](CNC(=O)c2csc([N+](=O)[O-])c2)N2CCCCC2)cc1 ZINC000044310933 899396041 /nfs/dbraw/zinc/39/60/41/899396041.db2.gz KGOMJWCDZWYRMK-KRWDZBQOSA-N 0 1 389.477 3.622 20 5 GHBDMN O=[N+]([O-])c1ccc2c(c1N1CCC[C@@H](c3ncc(C(F)(F)F)[nH]3)C1)CCN2 ZINC000571505940 899890263 /nfs/dbraw/zinc/89/02/63/899890263.db2.gz DFVRVIQIBZKUIG-SNVBAGLBSA-N 0 1 381.358 3.689 20 5 GHBDMN O=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000825498748 900198479 /nfs/dbraw/zinc/19/84/79/900198479.db2.gz PRZHJKAXFLAOER-UHFFFAOYSA-N 0 1 391.830 3.782 20 5 GHBDMN Cc1cc(NCC(C)(C)[N@H+]2CCc3ccccc3C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000844207560 900602135 /nfs/dbraw/zinc/60/21/35/900602135.db2.gz GVPVZJRIBDDZQO-UHFFFAOYSA-N 0 1 383.448 3.850 20 5 GHBDMN C[C@@H](c1ccncc1)N1CCC(Nc2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC000573717468 900605316 /nfs/dbraw/zinc/60/53/16/900605316.db2.gz LBVJVZOIJZXZAC-HNNXBMFYSA-N 0 1 381.480 3.901 20 5 GHBDMN C[N@H+]1CCC[C@@H](CNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000574210600 900820427 /nfs/dbraw/zinc/82/04/27/900820427.db2.gz VZHHRAYABJDBDW-GUYCJALGSA-N 0 1 375.450 3.850 20 5 GHBDMN CSCc1n[nH]c(CNCc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)n1 ZINC000886329014 900937054 /nfs/dbraw/zinc/93/70/54/900937054.db2.gz WNLCXUZXMFNDDY-UHFFFAOYSA-N 0 1 398.492 3.634 20 5 GHBDMN CSCc1nnc(CNCc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)[nH]1 ZINC000886329014 900937056 /nfs/dbraw/zinc/93/70/56/900937056.db2.gz WNLCXUZXMFNDDY-UHFFFAOYSA-N 0 1 398.492 3.634 20 5 GHBDMN O=[N+]([O-])c1cccc(Cl)c1OC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000575910189 901460438 /nfs/dbraw/zinc/46/04/38/901460438.db2.gz KRXPJSXNRFCGTK-INIZCTEOSA-N 0 1 376.840 3.918 20 5 GHBDMN C[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1cccc(OC(F)F)c1 ZINC000047164193 901482050 /nfs/dbraw/zinc/48/20/50/901482050.db2.gz BGLSREVVJSYXLB-VIFPVBQESA-N 0 1 376.319 3.564 20 5 GHBDMN Cc1cc(NS(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)ccc1[N+](=O)[O-] ZINC000576144583 901725626 /nfs/dbraw/zinc/72/56/26/901725626.db2.gz QGUMTZZUZZAHCX-UHFFFAOYSA-N 0 1 378.303 3.862 20 5 GHBDMN CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)Nc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000576163275 901745691 /nfs/dbraw/zinc/74/56/91/901745691.db2.gz HOFROFBSVSRQKR-IBGZPJMESA-N 0 1 385.464 3.790 20 5 GHBDMN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc(Br)cc1F ZINC000047312918 901796440 /nfs/dbraw/zinc/79/64/40/901796440.db2.gz HXLRXWRPZILLDS-UHFFFAOYSA-N 0 1 389.202 3.606 20 5 GHBDMN CC[C@@H](N[C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000124098794 902024619 /nfs/dbraw/zinc/02/46/19/902024619.db2.gz LQFJDHRVHNFUMI-YVEFUNNKSA-N 0 1 380.441 3.939 20 5 GHBDMN COc1ccc(CN(Cc2cc(F)ccc2[N+](=O)[O-])[C@H](CO)C(C)C)cc1 ZINC000778995653 902614767 /nfs/dbraw/zinc/61/47/67/902614767.db2.gz FHOQFRPBAVTSGJ-HXUWFJFHSA-N 0 1 376.428 3.762 20 5 GHBDMN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000578082602 903503006 /nfs/dbraw/zinc/50/30/06/903503006.db2.gz VPGSJCFQNADOTP-GOEBONIOSA-N 0 1 377.510 3.796 20 5 GHBDMN O=C(c1cc([N+](=O)[O-])ccc1SC1CCCC1)N1CC(N2CCCC2)C1 ZINC001146802768 903614204 /nfs/dbraw/zinc/61/42/04/903614204.db2.gz GVBIOAZFRDQKJQ-UHFFFAOYSA-N 0 1 375.494 3.550 20 5 GHBDMN O=[N+]([O-])c1cccc2c1CC[C@H]2N[C@H](CO)c1cccc(Br)c1 ZINC000578378893 903782018 /nfs/dbraw/zinc/78/20/18/903782018.db2.gz SFEXWPNWWFCGHJ-HZPDHXFCSA-N 0 1 377.238 3.668 20 5 GHBDMN Cc1c([C@@H](C)NCc2cccc(NC(=O)[C@@H]3CCCO3)c2)cccc1[N+](=O)[O-] ZINC000153397533 904360543 /nfs/dbraw/zinc/36/05/43/904360543.db2.gz RGRUPRHFTLVDSR-QRWLVFNGSA-N 0 1 383.448 3.872 20 5 GHBDMN Cc1nc([C@H]2CCCCN2c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)n[nH]1 ZINC000509525560 905990877 /nfs/dbraw/zinc/99/08/77/905990877.db2.gz IEMKIDXHEFYFTF-MRXNPFEDSA-N 0 1 382.399 3.954 20 5 GHBDMN CCCCN(CC(=O)OCC)C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173015617 906092017 /nfs/dbraw/zinc/09/20/17/906092017.db2.gz UIYPZADYPAOYMK-UHFFFAOYSA-N 0 1 399.438 3.507 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CC[C@H](CC(=O)OC(C)(C)C)C2)c1F ZINC001173191295 906274229 /nfs/dbraw/zinc/27/42/29/906274229.db2.gz BJZQDJZNQYTWME-ZIAGYGMSSA-N 0 1 396.459 3.727 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CC[C@@H](Oc3cccc(F)c3)C2)c1F ZINC001173192033 906275131 /nfs/dbraw/zinc/27/51/31/906275131.db2.gz HIUQLWLUHLIMMM-XJKSGUPXSA-N 0 1 392.402 3.966 20 5 GHBDMN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCO[C@@]2(CCCN(c3ccccc3)C2)C1 ZINC001173223454 906303795 /nfs/dbraw/zinc/30/37/95/906303795.db2.gz FXUQKSAOYLGBMO-CVDCTZTESA-N 0 1 395.503 3.897 20 5 GHBDMN COc1cc(CN2CCSC[C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000190843459 906347442 /nfs/dbraw/zinc/34/74/42/906347442.db2.gz ZVRXCOALJSRZBH-NSHDSACASA-N 0 1 394.415 3.729 20 5 GHBDMN O=[N+]([O-])c1cc(CNCc2c[nH]nc2-c2cccnc2)cc(C(F)(F)F)c1 ZINC000365951144 921263719 /nfs/dbraw/zinc/26/37/19/921263719.db2.gz ALBINHNZWZSODT-UHFFFAOYSA-N 0 1 377.326 3.689 20 5 GHBDMN Cc1cc(NC(=O)CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)n(-c2ccc(F)cc2)n1 ZINC001176037250 907896907 /nfs/dbraw/zinc/89/69/07/907896907.db2.gz SQTQTACIIZQWJJ-AWEZNQCLSA-N 0 1 397.410 3.517 20 5 GHBDMN C[C@H]1CN(Cc2ccc(F)cc2[N+](=O)[O-])CC[C@H]1CNC(=O)OC(C)(C)C ZINC001176698973 908214728 /nfs/dbraw/zinc/21/47/28/908214728.db2.gz DNWTURMCDIOTKW-KBPBESRZSA-N 0 1 381.448 3.717 20 5 GHBDMN CC[N@@H+](CCC(=O)[O-])Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000901604989 921391747 /nfs/dbraw/zinc/39/17/47/921391747.db2.gz HQFCFPWGGROSLC-UHFFFAOYSA-N 0 1 397.225 3.914 20 5 GHBDMN CC(C)c1ccc(C(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)cc1[N+](=O)[O-] ZINC000190371453 908476649 /nfs/dbraw/zinc/47/66/49/908476649.db2.gz FHDDDBQXIONJGV-OAHLLOKOSA-N 0 1 383.452 3.734 20 5 GHBDMN CC(C)(C)N1C[C@@H](NCc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CC1=O ZINC001177967685 908816937 /nfs/dbraw/zinc/81/69/37/908816937.db2.gz NNOYFBIIKGZRCR-ZDUSSCGKSA-N 0 1 391.855 3.997 20 5 GHBDMN CC(C)C[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1nc2ccccc2[nH]1 ZINC000195539713 909017975 /nfs/dbraw/zinc/01/79/75/909017975.db2.gz IAJQOHUEUYPYKI-QGZVFWFLSA-N 0 1 392.419 3.865 20 5 GHBDMN Cc1cc(CN2CCSCC2)ccc1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000299622221 921519500 /nfs/dbraw/zinc/51/95/00/921519500.db2.gz DYOMPDCLRXVYOK-UHFFFAOYSA-N 0 1 377.491 3.766 20 5 GHBDMN Cc1ccc(C(=O)N2CCC(c3nnc(-c4ccccc4)[nH]3)CC2)cc1[N+](=O)[O-] ZINC000299639679 921537197 /nfs/dbraw/zinc/53/71/97/921537197.db2.gz KHKUJGCBSMZKLS-UHFFFAOYSA-N 0 1 391.431 3.708 20 5 GHBDMN CC(C)(C)[S@](=O)Cc1cccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1 ZINC000269269145 910200681 /nfs/dbraw/zinc/20/06/81/910200681.db2.gz FODPXZZVNZELPJ-AREMUKBSSA-N 0 1 376.434 3.600 20 5 GHBDMN CCC[N@@H+](Cc1cc([O-])ccc1[N+](=O)[O-])C1CCN(C(=O)c2ccccc2)CC1 ZINC000092709972 911732788 /nfs/dbraw/zinc/73/27/88/911732788.db2.gz JMSYNDASEAPDOW-UHFFFAOYSA-N 0 1 397.475 3.817 20 5 GHBDMN COC(=O)COc1ccc(CN2CCC(C3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC001182754820 912003610 /nfs/dbraw/zinc/00/36/10/912003610.db2.gz PBQVSPWAQDRHIS-UHFFFAOYSA-N 0 1 390.480 3.939 20 5 GHBDMN Nc1ccc2n(C(=O)c3cc(-c4ccccc4F)n[nH]3)c3ccccc3cc-2c1=O ZINC001188023952 915715892 /nfs/dbraw/zinc/71/58/92/915715892.db2.gz DDJAETCEOIJADI-UHFFFAOYSA-N 0 1 398.397 3.906 20 5 GHBDMN CC(C)c1ccc2c(c1)[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])CC2 ZINC001189507352 916689807 /nfs/dbraw/zinc/68/98/07/916689807.db2.gz GTRHYZGHPIUTAR-MRXNPFEDSA-N 0 1 378.425 3.823 20 5 GHBDMN CN(C)[C@@H](CNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])c1cccs1 ZINC000294397846 916785402 /nfs/dbraw/zinc/78/54/02/916785402.db2.gz PETLUYQVJFVVOR-ZDUSSCGKSA-N 0 1 387.383 3.708 20 5 GHBDMN O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CCC[C@@H](c2nc[nH]n2)C1 ZINC000363312623 918069673 /nfs/dbraw/zinc/06/96/73/918069673.db2.gz MVEYWIHLJRKSPW-CQSZACIVSA-N 0 1 393.403 3.525 20 5 GHBDMN O=C([C@@H]1CC12CCN(C/C=C/c1ccccc1[N+](=O)[O-])CC2)N1CCCCC1 ZINC000364725795 919909239 /nfs/dbraw/zinc/90/92/39/919909239.db2.gz VFRNAMNCWQHUFH-FNQPIQQGSA-N 0 1 383.492 3.723 20 5 GHBDMN Cc1ccccc1[C@@]1(F)CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000800472733 920151078 /nfs/dbraw/zinc/15/10/78/920151078.db2.gz ZJJSFWOPFYMKGF-HXUWFJFHSA-N 0 1 389.402 3.942 20 5 GHBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@H](c3nc4c(s3)CCC4)C2)c1 ZINC000903631132 923140180 /nfs/dbraw/zinc/14/01/80/923140180.db2.gz KHQIVAMKJAGAIY-ZDUSSCGKSA-N 0 1 387.461 3.618 20 5 GHBDMN O=C1OCCN1[C@@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000826994768 924508810 /nfs/dbraw/zinc/50/88/10/924508810.db2.gz NGXCZURHQOPYDI-CYBMUJFWSA-N 0 1 391.811 3.535 20 5 GHBDMN CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)C1 ZINC000372159700 925205891 /nfs/dbraw/zinc/20/58/91/925205891.db2.gz DORFSUBOESWXTR-CQSZACIVSA-N 0 1 394.435 3.517 20 5 GHBDMN CCOc1ccc([C@H](C)N[C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000011710891 925458635 /nfs/dbraw/zinc/45/86/35/925458635.db2.gz YOHOCFRLMIMKAL-KBPBESRZSA-N 0 1 387.436 3.680 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc(C=Cc2ccccc2)n[nH]1 ZINC000012834689 927946752 /nfs/dbraw/zinc/94/67/52/927946752.db2.gz AIFFOQWBMGNIAV-CSKARUKUSA-N 0 1 395.444 3.923 20 5 GHBDMN Cc1[nH]ncc1C1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000375349533 928200091 /nfs/dbraw/zinc/20/00/91/928200091.db2.gz ZUVAFUUSSBBACL-UHFFFAOYSA-N 0 1 395.366 3.639 20 5 GHBDMN COc1ccc(NC(=O)CN2CCC[C@]2(C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000467239830 928867174 /nfs/dbraw/zinc/86/71/74/928867174.db2.gz YJARFOAOASOIMU-OAQYLSRUSA-N 0 1 383.448 3.639 20 5 GHBDMN Cc1ccc2c(CCC(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)n[nH]3)c[nH]c2c1 ZINC000467441679 929074850 /nfs/dbraw/zinc/07/48/50/929074850.db2.gz ATKLKRXZQKSPSH-UHFFFAOYSA-N 0 1 390.403 3.741 20 5 GHBDMN CCOc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)cc1F ZINC000753066670 929187918 /nfs/dbraw/zinc/18/79/18/929187918.db2.gz UDPUSSKLZMZIEM-UHFFFAOYSA-N 0 1 388.804 3.895 20 5 GHBDMN CCc1ccc([C@H](NCCCNc2ncccn2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000753673903 929475148 /nfs/dbraw/zinc/47/51/48/929475148.db2.gz OCZCDKRVKIAFFX-LJQANCHMSA-N 0 1 381.436 3.721 20 5 GHBDMN Cc1ccc(N2CCN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3C)CC2)cc1C ZINC000759336536 930345065 /nfs/dbraw/zinc/34/50/65/930345065.db2.gz RUTYTYFNRQXYFS-UHFFFAOYSA-N 0 1 396.491 3.671 20 5 GHBDMN Cc1nc2cc(NS(=O)(=O)c3cc(C)c(F)c([N+](=O)[O-])c3)ccc2s1 ZINC000781120520 930707079 /nfs/dbraw/zinc/70/70/79/930707079.db2.gz 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C[C@@H](C(=O)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1)c1cccc([N+](=O)[O-])c1 ZINC000559374785 932638046 /nfs/dbraw/zinc/63/80/46/932638046.db2.gz KHDFQNSDKFNRCT-RDTXWAMCSA-N 0 1 391.431 3.847 20 5 GHBDMN C[C@@H](C(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000559374785 932638055 /nfs/dbraw/zinc/63/80/55/932638055.db2.gz KHDFQNSDKFNRCT-RDTXWAMCSA-N 0 1 391.431 3.847 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CN2CC3(C2)CCOC3)cc1 ZINC000560638883 933412816 /nfs/dbraw/zinc/41/28/16/933412816.db2.gz UWODQGWAFJHCRR-UHFFFAOYSA-N 0 1 390.443 3.670 20 5 GHBDMN O=[N+]([O-])c1ccc(OC(F)F)c(CN2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c1 ZINC000560680788 933451634 /nfs/dbraw/zinc/45/16/34/933451634.db2.gz UYISRRJXBOXVIC-GFCCVEGCSA-N 0 1 393.394 3.571 20 5 GHBDMN O=[N+]([O-])c1ccc2oc(CN3CCC[C@H](c4nc5ccccc5[nH]4)C3)nc2c1 ZINC001116350589 933502194 /nfs/dbraw/zinc/50/21/94/933502194.db2.gz GHQGVCPXZTYFIS-ZDUSSCGKSA-N 0 1 377.404 3.992 20 5 GHBDMN 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CCC[C@@H]1CN(c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CCN1CCOC ZINC001162854873 1025940439 /nfs/dbraw/zinc/94/04/39/1025940439.db2.gz DIVMGNAVRXAGIZ-CQSZACIVSA-N 0 1 375.391 3.551 20 5 GHBDMN CCCN(C(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl)[C@@H]1CCN(C)C1 ZINC001162975452 1025994917 /nfs/dbraw/zinc/99/49/17/1025994917.db2.gz YKJTYEJEAQOQHG-SECBINFHSA-N 0 1 378.231 3.597 20 5 GHBDMN COCC(C)(C)N1CCN(c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC001163551225 1026232330 /nfs/dbraw/zinc/23/23/30/1026232330.db2.gz PCRRIDCAJXZESZ-UHFFFAOYSA-N 0 1 395.809 3.814 20 5 GHBDMN O=[N+]([O-])c1c(Cl)c2ccccc2nc1N1CCCN(Cc2ccncc2)CC1 ZINC001163827494 1026328653 /nfs/dbraw/zinc/32/86/53/1026328653.db2.gz UIUZDRLJZPFQMJ-UHFFFAOYSA-N 0 1 397.866 3.904 20 5 GHBDMN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1ccccc1Nc1ccncc1 ZINC001139685041 1026538651 /nfs/dbraw/zinc/53/86/51/1026538651.db2.gz VMECPBMSWHMZRT-UHFFFAOYSA-N 0 1 387.399 3.749 20 5 GHBDMN O=[N+]([O-])c1cc(F)cnc1N1CC(c2ncn3cc(-c4ccoc4)ccc23)C1 ZINC001166495837 1027015224 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CC[C@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000175113924 1028063417 /nfs/dbraw/zinc/06/34/17/1028063417.db2.gz DBYIKPXENRLCNW-ZDUSSCGKSA-N 0 1 399.812 3.586 20 5 GHBDMN C[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1cnc(-c2ccc(Br)cc2)s1 ZINC000841159283 1028227150 /nfs/dbraw/zinc/22/71/50/1028227150.db2.gz ZZXADMJOFMOKNK-GGZOMVNGSA-N 0 1 397.250 3.842 20 5 GHBDMN CC[C@H](NCC(=O)N[C@@H](c1ccc(OC)cc1)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000181561897 1029038352 /nfs/dbraw/zinc/03/83/52/1029038352.db2.gz BPYGRQUIBPYCNR-RBBKRZOGSA-N 0 1 397.475 3.912 20 5 GHBDMN CC(C)(C)N1CC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC001461526117 1069592673 /nfs/dbraw/zinc/59/26/73/1069592673.db2.gz ACIUFVKIHBMFKW-MRXNPFEDSA-N 0 1 383.448 3.990 20 5 GHBDMN COc1cc([N+](=O)[O-])c(-c2nc(-c3cccc4ccc(C)nc43)no2)cc1O ZINC001216343677 1029609566 /nfs/dbraw/zinc/60/95/66/1029609566.db2.gz QIVDPOALDGFICI-UHFFFAOYSA-N 0 1 378.344 3.883 20 5 GHBDMN 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ZINC001218613982 1031004673 /nfs/dbraw/zinc/00/46/73/1031004673.db2.gz FIZIEKWQGRQRIA-NRFANRHFSA-N 0 1 381.439 3.773 20 5 GHBDMN CC(C)(C)OC(=O)N1CCC2(CC[C@H]2Oc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC001225488732 1031437066 /nfs/dbraw/zinc/43/70/66/1031437066.db2.gz JZDAWSAZWRBKKE-MRXNPFEDSA-N 0 1 378.425 3.859 20 5 GHBDMN CCOC(=O)C1(NC(=O)c2c3ccccc3cc3ccccc32)CCN(C)CC1 ZINC001153499807 1031617231 /nfs/dbraw/zinc/61/72/31/1031617231.db2.gz WCMNECJFWQYUND-UHFFFAOYSA-N 0 1 390.483 3.750 20 5 GHBDMN CC(C)c1cc([C@H]2CCCN(C(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)C2)n[nH]1 ZINC001154176411 1031968161 /nfs/dbraw/zinc/96/81/61/1031968161.db2.gz LVZZNMBVDKMLSS-ZDUSSCGKSA-N 0 1 381.436 3.942 20 5 GHBDMN COc1ccc2c(c1)nc(=O)[nH]c2O[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC001229139901 1033302337 /nfs/dbraw/zinc/30/23/37/1033302337.db2.gz NXXXTJBQXUCMGC-AWEZNQCLSA-N 0 1 395.293 3.935 20 5 GHBDMN COC(=O)[C@@H](Oc1ccc2c(c1)oc(=O)c1cc(O)ccc21)c1ccccc1 ZINC001229797826 1033723503 /nfs/dbraw/zinc/72/35/03/1033723503.db2.gz ORDRPJZBGPXSQH-FQEVSTJZSA-N 0 1 376.364 3.945 20 5 GHBDMN CC(=O)Nc1ccc([N+](=O)[O-])cc1O[C@@H]1CCN(Cc2ccccc2Cl)C1 ZINC001230251160 1033962621 /nfs/dbraw/zinc/96/26/21/1033962621.db2.gz LNMWVDGUEUGQDZ-MRXNPFEDSA-N 0 1 389.839 3.860 20 5 GHBDMN CC(C)(C)OC(=O)N1CC[C@@H](Oc2cc3[nH]ncc3cc2[N+](=O)[O-])[C@@H](F)CC1 ZINC001230596813 1034139250 /nfs/dbraw/zinc/13/92/50/1034139250.db2.gz UGZLTBIFZKZMNH-SWLSCSKDSA-N 0 1 394.403 3.588 20 5 GHBDMN O=[N+]([O-])c1cc2cn[nH]c2cc1OC[C@H]1Cc2cccc(Br)c2O1 ZINC001230601630 1034142719 /nfs/dbraw/zinc/14/27/19/1034142719.db2.gz PDBBSBBFNPVXCF-LLVKDONJSA-N 0 1 390.193 3.616 20 5 GHBDMN O=[N+]([O-])c1cc2cn[nH]c2cc1O[C@H]1CCN(Cc2ccccc2)CC1(F)F ZINC001230601344 1034142987 /nfs/dbraw/zinc/14/29/87/1034142987.db2.gz MMDQMDYVFHIYSN-SFHVURJKSA-N 0 1 388.374 3.760 20 5 GHBDMN O=C(c1ccco1)N1CC[C@H]2CN(Cc3ccc4ccc5cccnc5c4n3)C[C@H]21 ZINC001232222828 1035169881 /nfs/dbraw/zinc/16/98/81/1035169881.db2.gz REPPDMVHEPJCTM-AZUAARDMSA-N 0 1 398.466 3.723 20 5 GHBDMN COc1cc(C(=O)Nc2ccc3nc(-c4ccncc4)[nH]c3c2)ccc1[N+](=O)[O-] ZINC001161774993 1035298438 /nfs/dbraw/zinc/29/84/38/1035298438.db2.gz KSRILRFBRFQWKJ-UHFFFAOYSA-N 0 1 389.371 3.794 20 5 GHBDMN C[C@@H](CNC(=O)OC(C)(C)C)NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001462086655 1069988001 /nfs/dbraw/zinc/98/80/01/1069988001.db2.gz SILIWUCGLIDCBR-VIFPVBQESA-N 0 1 378.256 3.904 20 5 GHBDMN CC(C)=CCc1c(O)cc(O[C@H]2CCOC2=O)c2c(=O)c3cccc(O)c3oc12 ZINC001234741899 1040268528 /nfs/dbraw/zinc/26/85/28/1040268528.db2.gz SYEGKYUARHJSGS-INIZCTEOSA-N 0 1 396.395 3.560 20 5 GHBDMN CCOCc1nn(CC2CC2)c2c1CN([C@@H](C)Cc1ccccc1[N+](=O)[O-])CC2 ZINC001254562770 1040335823 /nfs/dbraw/zinc/33/58/23/1040335823.db2.gz UHLOYGQBFFBOJV-INIZCTEOSA-N 0 1 398.507 3.727 20 5 GHBDMN COc1cccc(C(=O)C2CCN([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)CC2)c1 ZINC001254595437 1040370017 /nfs/dbraw/zinc/37/00/17/1040370017.db2.gz XHOPTVGZJWQBEU-HXUWFJFHSA-N 0 1 380.444 3.666 20 5 GHBDMN COc1ccc(C2=NO[C@H](CNCc3c(C)ccc([N+](=O)[O-])c3C)C2)cc1C ZINC001462547863 1070350356 /nfs/dbraw/zinc/35/03/56/1070350356.db2.gz MDAKSFYOOWOWOL-KRWDZBQOSA-N 0 1 383.448 3.811 20 5 GHBDMN O=C(Nc1cccc2c1CN(C1CC1)C2)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC001295930213 1045193889 /nfs/dbraw/zinc/19/38/89/1045193889.db2.gz JQULHWYEAYYTML-UHFFFAOYSA-N 0 1 389.358 3.927 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCc2nc(C3CCCCC3)[nH]c2C1 ZINC001297050414 1045435461 /nfs/dbraw/zinc/43/54/61/1045435461.db2.gz HFJFQBDLERETSF-AWEZNQCLSA-N 0 1 398.463 3.662 20 5 GHBDMN Cc1cc(C)cc(CCC(=O)Nc2cc(N3CCN(C)CC3)ccc2[N+](=O)[O-])c1 ZINC001463052861 1070759354 /nfs/dbraw/zinc/75/93/54/1070759354.db2.gz AKWWABXNCATRAZ-UHFFFAOYSA-N 0 1 396.491 3.535 20 5 GHBDMN Cc1ccc(-c2n[nH]c(NC(=O)c3ccc([N+](=O)[O-])c(OC(C)C)c3)n2)cc1 ZINC001306303533 1048555310 /nfs/dbraw/zinc/55/53/10/1048555310.db2.gz XBVQONWTTPOBQB-UHFFFAOYSA-N 0 1 381.392 3.728 20 5 GHBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC(CCc3ccc(O)cc3)CC2)c1 ZINC001307415434 1049255762 /nfs/dbraw/zinc/25/57/62/1049255762.db2.gz PJMHXTJDJZHIQV-UHFFFAOYSA-N 0 1 398.459 3.932 20 5 GHBDMN C[C@H](c1ccccc1)[C@H](CO)NCc1cc([N+](=O)[O-])ccc1Br ZINC001307657132 1049481864 /nfs/dbraw/zinc/48/18/64/1049481864.db2.gz HOTIVAZHKWVFFH-PXAZEXFGSA-N 0 1 379.254 3.612 20 5 GHBDMN CN(Cc1nc2ccc(C(F)(F)F)cc2[nH]1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001307921767 1049697685 /nfs/dbraw/zinc/69/76/85/1049697685.db2.gz YRXKABRRCLPTCO-INIZCTEOSA-N 0 1 394.353 3.655 20 5 GHBDMN CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@H](C(C)(C)O)C2)cc1OC ZINC001308050367 1049798566 /nfs/dbraw/zinc/79/85/66/1049798566.db2.gz PDKZZDFPBDBWIE-ZBFHGGJFSA-N 0 1 380.485 3.621 20 5 GHBDMN CC[C@H](C)c1nc([C@@H](C)Nc2ncnc3c(Cl)cc([N+](=O)[O-])cc23)n[nH]1 ZINC001327697598 1050256264 /nfs/dbraw/zinc/25/62/64/1050256264.db2.gz HGZVZOIWRCBJPS-DTWKUNHWSA-N 0 1 375.820 3.996 20 5 GHBDMN Cc1cc([C@@H]2CCCCN2S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2C)n[nH]1 ZINC001309895919 1051030577 /nfs/dbraw/zinc/03/05/77/1051030577.db2.gz LXSLYCNEFFBPKI-AWEZNQCLSA-N 0 1 398.872 3.504 20 5 GHBDMN CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC001310849115 1051647521 /nfs/dbraw/zinc/64/75/21/1051647521.db2.gz PEIFVYOXQADQEQ-HNAYVOBHSA-N 0 1 382.464 3.942 20 5 GHBDMN CC(C)(C)N1CCN(C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC001318005670 1054348537 /nfs/dbraw/zinc/34/85/37/1054348537.db2.gz MJEVNXAAGHLFIC-UHFFFAOYSA-N 0 1 396.491 3.763 20 5 GHBDMN COC[C@@](C)(CC(=O)OC)NCc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001320263395 1055730486 /nfs/dbraw/zinc/73/04/86/1055730486.db2.gz JKYJLZWOFRZNJA-GOSISDBHSA-N 0 1 396.827 3.566 20 5 GHBDMN CN(Cc1ccc(Cl)s1)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC001440328903 1058495691 /nfs/dbraw/zinc/49/56/91/1058495691.db2.gz LSQHCDVZUXRNPK-UHFFFAOYSA-N 0 1 376.825 3.972 20 5 GHBDMN CN1CCN(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC12CCCCC2 ZINC001449890137 1060475863 /nfs/dbraw/zinc/47/58/63/1060475863.db2.gz FBPYLYKVKORMFY-UHFFFAOYSA-N 0 1 385.386 3.704 20 5 GHBDMN CN(C(=O)CCc1ccc([N+](=O)[O-])cc1Cl)[C@H](c1nnc[nH]1)c1ccccc1 ZINC001451080018 1060734265 /nfs/dbraw/zinc/73/42/65/1060734265.db2.gz MVCCKIARFWFRCS-SFHVURJKSA-N 0 1 399.838 3.547 20 5 GHBDMN COc1ccc(NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)cc1SC ZINC001451168667 1060745094 /nfs/dbraw/zinc/74/50/94/1060745094.db2.gz SRNAPOTYQGKRCB-UHFFFAOYSA-N 0 1 384.417 3.968 20 5 GHBDMN O=C(c1cccc([N+](=O)[O-])c1Cl)N1CCc2nc[nH]c2[C@@H]1c1ccccc1 ZINC001454640111 1061897812 /nfs/dbraw/zinc/89/78/12/1061897812.db2.gz UGACUKXJHAECSL-SFHVURJKSA-N 0 1 382.807 3.759 20 5 GHBDMN Cc1ccc(CNC(=O)c2ccc(-c3ccc(C=O)o3)cc2O)cc1[N+](=O)[O-] ZINC001454900030 1061953828 /nfs/dbraw/zinc/95/38/28/1061953828.db2.gz NIUVYFJFKBVHPL-UHFFFAOYSA-N 0 1 380.356 3.611 20 5 GHBDMN Cc1ccc(CN2CC[C@H](NC(=O)c3cc([N+](=O)[O-])c(C)cc3Cl)C2)cc1 ZINC001455008696 1061975681 /nfs/dbraw/zinc/97/56/81/1061975681.db2.gz GQBVJZFZHNACBV-INIZCTEOSA-N 0 1 387.867 3.869 20 5 GHBDMN CC[C@H](c1ccccc1)N1CCN(C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC001456979144 1062937483 /nfs/dbraw/zinc/93/74/83/1062937483.db2.gz ISSDOTPGLFRWJJ-FDFHNCONSA-N 0 1 393.487 3.994 20 5 GHBDMN O=C(CSc1ccccc1[N+](=O)[O-])NC[C@@H]1CCCCN1Cc1ccccc1 ZINC001438576220 1064075812 /nfs/dbraw/zinc/07/58/12/1064075812.db2.gz VOLZWWDLCGHUOL-SFHVURJKSA-N 0 1 399.516 3.858 20 5 GHBDMN CC[C@H](NCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1ccc(C)c(F)c1 ZINC001459863958 1064246892 /nfs/dbraw/zinc/24/68/92/1064246892.db2.gz FAVJNUUWXYSNAO-INIZCTEOSA-N 0 1 375.400 3.730 20 5 GHBDMN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cc(-c2c[nH]c3ccccc23)[nH]n1 ZINC001464047609 1064787151 /nfs/dbraw/zinc/78/71/51/1064787151.db2.gz SEJXIVCQIMWHGU-UHFFFAOYSA-N 0 1 375.388 3.738 20 5 GHBDMN Cc1ccc(Sc2ccc(C(=O)N3CCNC(C)(C)C3)cc2[N+](=O)[O-])cc1 ZINC001465730633 1065815462 /nfs/dbraw/zinc/81/54/62/1065815462.db2.gz CXKMASMZKDETOB-UHFFFAOYSA-N 0 1 385.489 3.878 20 5 GHBDMN CCc1nc(NC(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)n[nH]1 ZINC001466276264 1066069021 /nfs/dbraw/zinc/06/90/21/1066069021.db2.gz JSCLHVNXKJBCDF-UHFFFAOYSA-N 0 1 383.433 3.987 20 5 GHBDMN CCc1n[nH]c(NC(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)n1 ZINC001466276264 1066069029 /nfs/dbraw/zinc/06/90/29/1066069029.db2.gz JSCLHVNXKJBCDF-UHFFFAOYSA-N 0 1 383.433 3.987 20 5 GHBDMN COc1cc(CN[C@@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)c([N+](=O)[O-])cc1F ZINC001460281450 1068905603 /nfs/dbraw/zinc/90/56/03/1068905603.db2.gz YUIFLAVPDBQNFM-HUUCEWRRSA-N 0 1 397.447 3.668 20 5 GHBDMN C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)[C@H](C)N1Cc1cc(O)ccc1[N+](=O)[O-] ZINC001460302490 1068914781 /nfs/dbraw/zinc/91/47/81/1068914781.db2.gz ZKHLBGDWIGSTJI-HZSPNIEDSA-N 0 1 379.457 3.519 20 5 GHBDMN CC(C)(C)OC(=O)[C@@H]1CN(Cc2cccnc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC001460303222 1068915365 /nfs/dbraw/zinc/91/53/65/1068915365.db2.gz WEULJEJIAJKWKN-ZWKOTPCHSA-N 0 1 383.448 3.547 20 5 GHBDMN Cc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(Nc3ccncc3)cc2)c1C ZINC001470599439 1072642740 /nfs/dbraw/zinc/64/27/40/1072642740.db2.gz RDGXSCPZCXDXOG-UHFFFAOYSA-N 0 1 376.416 3.702 20 5 GHBDMN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(C2CCCC2)[C@@H](C)C1 ZINC001471826634 1073228323 /nfs/dbraw/zinc/22/83/23/1073228323.db2.gz QAMXMJUNOLUMNF-GJZGRUSLSA-N 0 1 377.510 3.551 20 5 GHBDMN CCC[C@@H]1CN(c2cccc(C(F)(F)F)c2[N+](=O)[O-])CCN1CCOC ZINC001472735047 1073642455 /nfs/dbraw/zinc/64/24/55/1073642455.db2.gz MWNREBXAOMRXAH-CYBMUJFWSA-N 0 1 375.391 3.551 20 5 GHBDMN Cc1cc(NCc2nc3ccc(Cl)cc3[nH]2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001472802122 1073672362 /nfs/dbraw/zinc/67/23/62/1073672362.db2.gz RICLVOXFOSXJBE-UHFFFAOYSA-N 0 1 394.822 3.924 20 5 GHBDMN CC[C@@H](c1ccccc1)N1CCN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC001473193520 1073846100 /nfs/dbraw/zinc/84/61/00/1073846100.db2.gz VVHLMIWIFRXFKU-PXNSSMCTSA-N 0 1 396.491 3.691 20 5 GHBDMN COc1ccc(NC(=O)CN2[C@H](C)C[C@H](c3ccccc3)[C@@H]2C)c([N+](=O)[O-])c1 ZINC001473506989 1073993566 /nfs/dbraw/zinc/99/35/66/1073993566.db2.gz QWWICQYPDQLRGZ-VKJFTORMSA-N 0 1 383.448 3.808 20 5 GHBDMN COC[C@H](C)N(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@@H]1CCc2ccccc21 ZINC001473691145 1074089736 /nfs/dbraw/zinc/08/97/36/1074089736.db2.gz DJOZADHLQLKCTA-HRAATJIYSA-N 0 1 397.475 3.866 20 5 GHBDMN O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@@H]1Cc1ccc(Br)cc1 ZINC001473843325 1074170479 /nfs/dbraw/zinc/17/04/79/1074170479.db2.gz BGFXPPLSHGYOOI-MRXNPFEDSA-N 0 1 376.254 3.959 20 5 GHBDMN Cc1cc(C)cc(C2CCN(CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)CC2)c1 ZINC001473863378 1074179879 /nfs/dbraw/zinc/17/98/79/1074179879.db2.gz WAIOMJPVNVEECH-UHFFFAOYSA-N 0 1 393.487 3.980 20 5 GHBDMN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNC[C@H]1CCC2(CCOCC2)CO1 ZINC001474687132 1074515162 /nfs/dbraw/zinc/51/51/62/1074515162.db2.gz GSNQCGPDLXSAEL-CQSZACIVSA-N 0 1 389.279 3.967 20 5 GHBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)N[C@H]1CCC[C@@H](c2cccc(Cl)c2)C1 ZINC001475388037 1074857655 /nfs/dbraw/zinc/85/76/55/1074857655.db2.gz WJAGDHDOOBIVDW-HIFRSBDPSA-N 0 1 395.868 3.648 20 5 GHBDMN CC1(C)CCC[C@@H]1CCNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC001475520412 1074903512 /nfs/dbraw/zinc/90/35/12/1074903512.db2.gz NCRSKEDKTLDQIR-SNVBAGLBSA-N 0 1 378.853 3.882 20 5 GHBDMN C[C@@H](NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])c1cc2cnccc2o1 ZINC001475615118 1074927892 /nfs/dbraw/zinc/92/78/92/1074927892.db2.gz QUZGXFNIYYUDEL-MRVPVSSYSA-N 0 1 399.787 3.568 20 5 GHBDMN C[C@@](CO)(Cc1ccc(F)cc1)NCc1cc([N+](=O)[O-])ccc1Br ZINC001620625014 1126242168 /nfs/dbraw/zinc/24/21/68/1126242168.db2.gz KBLHRQHQOMHBAN-KRWDZBQOSA-N 0 1 397.244 3.580 20 5 GHBDMN Cc1cc(NC[C@H](C)[N@H+]2CCc3sccc3C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000522003285 602313532 /nfs/dbraw/zinc/31/35/32/602313532.db2.gz FXHAHYBNMZAJSF-LBPRGKRZSA-N 0 1 375.450 3.522 20 5 GHBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824771135 608463059 /nfs/dbraw/zinc/46/30/59/608463059.db2.gz PKJAOSYTKFMJGL-AWEZNQCLSA-N 0 1 376.420 3.625 20 5 GHBDMN c1nc2n(c1CN1CCCC1)CCN(c1ccc3ccc4cccnc4c3n1)CC2 ZINC001164732617 720555304 /nfs/dbraw/zinc/55/53/04/720555304.db2.gz AIXPCKXZSSGHJA-UHFFFAOYSA-N 0 1 398.514 3.638 20 5 GHBDMN Cc1cc(N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000581729211 837568909 /nfs/dbraw/zinc/56/89/09/837568909.db2.gz NMZYQVJSAMEKAX-HZPDHXFCSA-N 0 1 375.469 3.692 20 5 GHBDMN O=[N+]([O-])c1ccc2oc(CN3CCCN(Cc4ccc(F)cc4)CC3)nc2c1 ZINC000176997048 837699271 /nfs/dbraw/zinc/69/92/71/837699271.db2.gz QZIYZYZZYCDPSQ-UHFFFAOYSA-N 0 1 384.411 3.583 20 5 GHBDMN CC1CCN(c2ccc(C(=O)Nc3cc(CN(C)C)ccn3)cc2[N+](=O)[O-])CC1 ZINC000176910127 837786116 /nfs/dbraw/zinc/78/61/16/837786116.db2.gz DFOQWPVXWRQGSZ-UHFFFAOYSA-N 0 1 397.479 3.540 20 5 GHBDMN C[C@H](c1ccncc1)N1CCC(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000155440503 837809695 /nfs/dbraw/zinc/80/96/95/837809695.db2.gz YUMQLNYYWQNXQJ-CYBMUJFWSA-N 0 1 388.855 3.599 20 5 GHBDMN O=C(CSc1nc(-c2ccc3c(c2)CCC3)n[nH]1)Nc1ccccc1[N+](=O)[O-] ZINC000610221718 835243702 /nfs/dbraw/zinc/24/37/02/835243702.db2.gz BCKPHISFEMXSHD-UHFFFAOYSA-N 0 1 395.444 3.599 20 5 GHBDMN O=C(C=Cc1ccc([N+](=O)[O-])cc1)Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1 ZINC000255625901 835313386 /nfs/dbraw/zinc/31/33/86/835313386.db2.gz WNILPJSCPMVECL-CXKPLTABSA-N 0 1 378.388 3.975 20 5 GHBDMN CCN(C)[C@@H](C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 ZINC000728599594 835342188 /nfs/dbraw/zinc/34/21/88/835342188.db2.gz IZXZLTMGAPCIHE-GOSISDBHSA-N 0 1 375.856 3.900 20 5 GHBDMN C[C@@H]1CCCCN1CCNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000547703116 835491204 /nfs/dbraw/zinc/49/12/04/835491204.db2.gz MMQXGLHWWNUBTC-CYBMUJFWSA-N 0 1 399.441 3.564 20 5 GHBDMN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000179316954 835521539 /nfs/dbraw/zinc/52/15/39/835521539.db2.gz YTSUEIQSUKKPLC-PKOBYXMFSA-N 0 1 385.489 3.882 20 5 GHBDMN CCc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2COC)cc1CC ZINC000179392812 835669078 /nfs/dbraw/zinc/66/90/78/835669078.db2.gz FELGGLPCDDPTMB-UHFFFAOYSA-N 0 1 378.450 3.667 20 5 GHBDMN O=[N+]([O-])c1cc(Br)ccc1N1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000179600348 835888704 /nfs/dbraw/zinc/88/87/04/835888704.db2.gz DXLPUIDDHQWIMV-LLVKDONJSA-N 0 1 392.257 3.737 20 5 GHBDMN O=[N+]([O-])c1cc(Br)ccc1N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179600348 835888708 /nfs/dbraw/zinc/88/87/08/835888708.db2.gz DXLPUIDDHQWIMV-LLVKDONJSA-N 0 1 392.257 3.737 20 5 GHBDMN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000179597206 835895158 /nfs/dbraw/zinc/89/51/58/835895158.db2.gz NSXHSKRPULGACS-NSHDSACASA-N 0 1 381.358 3.993 20 5 GHBDMN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179597206 835895162 /nfs/dbraw/zinc/89/51/62/835895162.db2.gz NSXHSKRPULGACS-NSHDSACASA-N 0 1 381.358 3.993 20 5 GHBDMN COc1ccc(NC(=O)CC[N@H+]2CC[C@@H](C(F)(F)F)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000411782942 836345864 /nfs/dbraw/zinc/34/58/64/836345864.db2.gz ALFTTWRRSYHIMG-NWDGAFQWSA-N 0 1 389.374 3.595 20 5 GHBDMN COc1cc(C[N@H+]2CCC3(CCOCC3)[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000612540302 836378406 /nfs/dbraw/zinc/37/84/06/836378406.db2.gz MAYMCEXCHRTZBW-LBPRGKRZSA-N 0 1 386.395 3.596 20 5 GHBDMN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2C)c2ccccc12 ZINC000180173831 836508097 /nfs/dbraw/zinc/50/80/97/836508097.db2.gz JFCGILJHJVZIIR-UHFFFAOYSA-N 0 1 399.428 3.816 20 5 GHBDMN NC(=O)c1ccc(CN[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)c([N+](=O)[O-])c1 ZINC000180053121 836930067 /nfs/dbraw/zinc/93/00/67/836930067.db2.gz RGAHMEMVNRNDQA-QGZVFWFLSA-N 0 1 393.365 3.953 20 5 GHBDMN Cc1ccc([C@H](C)N[C@H](C)C(=O)Nc2ccc(-c3c[nH]cn3)cc2)cc1[N+](=O)[O-] ZINC000472576577 836931392 /nfs/dbraw/zinc/93/13/92/836931392.db2.gz GLNIXZGBGRMHJA-LSDHHAIUSA-N 0 1 393.447 3.971 20 5 GHBDMN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCc1ccsc1Br ZINC000510946921 844231925 /nfs/dbraw/zinc/23/19/25/844231925.db2.gz WYIQOQKVHSYCGX-SNVBAGLBSA-N 0 1 398.282 3.926 20 5 GHBDMN C[C@@H](NCC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000180430932 837252361 /nfs/dbraw/zinc/25/23/61/837252361.db2.gz BQYSHEUXCZALHP-OLZOCXBDSA-N 0 1 377.391 3.743 20 5 GHBDMN COc1ccc([C@H](NC(=O)CN[C@H](C)c2cccc([N+](=O)[O-])c2)C(C)C)cc1 ZINC000180450442 837267115 /nfs/dbraw/zinc/26/71/15/837267115.db2.gz PDHAWGAIDTXUOB-QVKFZJNVSA-N 0 1 385.464 3.768 20 5 GHBDMN COc1ccc([C@@H](NC(=O)CN[C@@H](C)c2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000180453607 837280227 /nfs/dbraw/zinc/28/02/27/837280227.db2.gz ZEVZVBHHGJSKGE-QKKBWIMNSA-N 0 1 383.448 3.522 20 5 GHBDMN CC(C)Oc1cc(C(=O)NCc2ccc(CN(C)C)c(F)c2)ccc1[N+](=O)[O-] ZINC000412230545 837866392 /nfs/dbraw/zinc/86/63/92/837866392.db2.gz LCFSWJDAWMNMSW-UHFFFAOYSA-N 0 1 389.427 3.513 20 5 GHBDMN COCC[C@H](C)N[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000101583151 837965502 /nfs/dbraw/zinc/96/55/02/837965502.db2.gz MYZMKQUVFISSTH-UGSOOPFHSA-N 0 1 391.855 3.943 20 5 GHBDMN COc1ccc(NC(=O)[C@H](C)N[C@H](C)c2ccc(C)c(F)c2)c([N+](=O)[O-])c1 ZINC000181359501 837999122 /nfs/dbraw/zinc/99/91/22/837999122.db2.gz VMDFADQGNFDTQK-OLZOCXBDSA-N 0 1 375.400 3.729 20 5 GHBDMN CC(C)N1C[C@H](C)[C@H](NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 ZINC000275628294 838079721 /nfs/dbraw/zinc/07/97/21/838079721.db2.gz JFJHUUHWNVIUCU-HXPMCKFVSA-N 0 1 399.441 3.830 20 5 GHBDMN COc1ccc(-c2ccc(CN3CCCc4c(cnn4C)C3)o2)c([N+](=O)[O-])c1 ZINC000414472111 838445407 /nfs/dbraw/zinc/44/54/07/838445407.db2.gz NPFVQWBEFKDZGO-UHFFFAOYSA-N 0 1 382.420 3.545 20 5 GHBDMN O=C([O-])c1ccccc1CC1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000579496972 839105472 /nfs/dbraw/zinc/10/54/72/839105472.db2.gz XNTLIFGKHLILFH-UHFFFAOYSA-N 0 1 394.431 3.624 20 5 GHBDMN O=C(Nc1c[nH]nc1[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1)C1CCCC1 ZINC000378550565 839321066 /nfs/dbraw/zinc/32/10/66/839321066.db2.gz OUBRYKNHYGHTLE-KRWDZBQOSA-N 0 1 397.479 3.826 20 5 GHBDMN C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000610446177 839765386 /nfs/dbraw/zinc/76/53/86/839765386.db2.gz UCFQJIWMDMIWFX-HNNXBMFYSA-N 0 1 387.867 3.985 20 5 GHBDMN CC1CCC(OC2CCN(C(=O)c3[nH]nc4ccc([N+](=O)[O-])cc43)CC2)CC1 ZINC000377591043 839787289 /nfs/dbraw/zinc/78/72/89/839787289.db2.gz NZYIMIXXGNPVAQ-UHFFFAOYSA-N 0 1 386.452 3.671 20 5 GHBDMN CN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1CCCN(c2ccccc2)C1 ZINC000177795060 839902443 /nfs/dbraw/zinc/90/24/43/839902443.db2.gz ZCQXCHCIDRVQTA-IBGZPJMESA-N 0 1 383.448 3.562 20 5 GHBDMN CC(C)(C)c1ccc(-c2n[nH]c(NC(=O)Cc3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000511733176 840571685 /nfs/dbraw/zinc/57/16/85/840571685.db2.gz DHQXOTCQSLAJHT-UHFFFAOYSA-N 0 1 379.420 3.859 20 5 GHBDMN CS(=O)(=O)c1ccc(CN[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)s1 ZINC000417316054 840699968 /nfs/dbraw/zinc/69/99/68/840699968.db2.gz ALGABIPDIGYWFR-MRXNPFEDSA-N 0 1 380.491 3.617 20 5 GHBDMN C[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ncc(-c2ccccc2)o1 ZINC000126290311 840894931 /nfs/dbraw/zinc/89/49/31/840894931.db2.gz WDHNOQCMWBSDLZ-NSHDSACASA-N 0 1 377.360 3.617 20 5 GHBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H](C)c1cccc(OC(F)F)c1 ZINC000538120702 844598474 /nfs/dbraw/zinc/59/84/74/844598474.db2.gz ILZKHIYKICVONM-LBPRGKRZSA-N 0 1 379.363 3.794 20 5 GHBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)c1 ZINC000593756219 861194708 /nfs/dbraw/zinc/19/47/08/861194708.db2.gz MUWHILLWRDJEQW-UFYCRDLUSA-N 0 1 382.416 3.788 20 5 GHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCCCC[C@@H]1[C@@H]1CCCCC1=O ZINC000610664416 841426977 /nfs/dbraw/zinc/42/69/77/841426977.db2.gz JNBDSRKZRKCSTI-WMLDXEAASA-N 0 1 384.436 3.615 20 5 GHBDMN CCc1nc(CN2CCN(c3cc(C)nc4ccc([N+](=O)[O-])cc43)CC2)cs1 ZINC000302168434 861227352 /nfs/dbraw/zinc/22/73/52/861227352.db2.gz LKOUPGQMWGAPFN-UHFFFAOYSA-N 0 1 397.504 3.793 20 5 GHBDMN Cc1cccc(COc2c(C)cc(CN(C)C(=O)[C@@H]3CC3[N+](=O)[O-])cc2C)c1 ZINC001126089798 841795887 /nfs/dbraw/zinc/79/58/87/841795887.db2.gz KTKBEVVMNJIGGW-WOJBJXKFSA-N 0 1 382.460 3.814 20 5 GHBDMN CN(CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000604520680 842055297 /nfs/dbraw/zinc/05/52/97/842055297.db2.gz BCCWQFCPAOTNOR-UWJYYQICSA-N 0 1 383.448 3.633 20 5 GHBDMN O=C(Nc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1)c1ccccc1 ZINC000055619894 861268941 /nfs/dbraw/zinc/26/89/41/861268941.db2.gz FPDJWBPQHBHHAM-UHFFFAOYSA-N 0 1 397.412 3.648 20 5 GHBDMN COc1ccc([C@@H](C)NCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c(C)c1OC ZINC000570115350 842258998 /nfs/dbraw/zinc/25/89/98/842258998.db2.gz GROFAUJURGWBIT-CQSZACIVSA-N 0 1 387.436 3.518 20 5 GHBDMN Cc1cccc(OC[C@H](O)CN(Cc2ccc([N+](=O)[O-])c(F)c2)C(C)C)c1 ZINC001167486989 842363838 /nfs/dbraw/zinc/36/38/38/842363838.db2.gz DAKAEXRQZHLGDE-QGZVFWFLSA-N 0 1 376.428 3.693 20 5 GHBDMN C[C@H](N[C@@H](C)c1ccc(NC(=O)C2CC2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000028348417 861352261 /nfs/dbraw/zinc/35/22/61/861352261.db2.gz GTRWJKLXXGVRGC-KBPBESRZSA-N 0 1 396.447 3.621 20 5 GHBDMN C[C@@H](N[C@H](C)c1ccc(NC(=O)C2CC2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000028347324 861352942 /nfs/dbraw/zinc/35/29/42/861352942.db2.gz OJNUAOGUFBEKPN-ZIAGYGMSSA-N 0 1 396.447 3.621 20 5 GHBDMN COCCN(CCc1ccccc1)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000728899865 842895263 /nfs/dbraw/zinc/89/52/63/842895263.db2.gz UGVQLYFUVHLZRY-UHFFFAOYSA-N 0 1 380.448 3.607 20 5 GHBDMN O=C(CCN1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000610614539 843298467 /nfs/dbraw/zinc/29/84/67/843298467.db2.gz YNAHPKCWCVUKSE-VXGBXAGGSA-N 0 1 399.291 3.596 20 5 GHBDMN COc1ccc(-c2ccc(CN3CCC(c4nc(C)no4)CC3)o2)c([N+](=O)[O-])c1 ZINC000091835684 843429664 /nfs/dbraw/zinc/42/96/64/843429664.db2.gz GWPUMSDQFNOYBH-UHFFFAOYSA-N 0 1 398.419 3.934 20 5 GHBDMN C[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000056197137 861453242 /nfs/dbraw/zinc/45/32/42/861453242.db2.gz QJDMMCOZUIEBJM-VXGBXAGGSA-N 0 1 379.363 3.874 20 5 GHBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C(C)=O)c(Cl)c1 ZINC000542093163 843865442 /nfs/dbraw/zinc/86/54/42/843865442.db2.gz OVEDWKSCHFEUBM-UHFFFAOYSA-N 0 1 382.825 3.814 20 5 GHBDMN CCO[C@@H]1C[C@@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H]1n1cccn1 ZINC000555648669 861490717 /nfs/dbraw/zinc/49/07/17/861490717.db2.gz SIQVHAPMKFJSJN-RLLQIKCJSA-N 0 1 382.420 3.560 20 5 GHBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2c(cnn2C(F)F)c1 ZINC000610955161 844908619 /nfs/dbraw/zinc/90/86/19/844908619.db2.gz TVIUYYURKBIDEU-UHFFFAOYSA-N 0 1 396.375 3.703 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N(C)Cc2ccc(OC(F)(F)F)cc2)c1[N+](=O)[O-] ZINC000433689108 845214382 /nfs/dbraw/zinc/21/43/82/845214382.db2.gz HKFNDXIFLHYEJB-UHFFFAOYSA-N 0 1 386.330 3.612 20 5 GHBDMN COc1cc(CN2CCCN(c3ccc(F)c(F)c3)CC2)ccc1[N+](=O)[O-] ZINC000551734328 846492488 /nfs/dbraw/zinc/49/24/88/846492488.db2.gz DPYOWZMMFHLJPQ-UHFFFAOYSA-N 0 1 377.391 3.594 20 5 GHBDMN C[C@H](CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1ccc(F)cc1F ZINC000503033456 846735283 /nfs/dbraw/zinc/73/52/83/846735283.db2.gz WKBNHOQJERLHOU-SNVBAGLBSA-N 0 1 387.346 3.790 20 5 GHBDMN CN(c1ccccc1)c1ccc(CNCc2ccnc3ccnn32)cc1[N+](=O)[O-] ZINC000478208430 847012019 /nfs/dbraw/zinc/01/20/19/847012019.db2.gz PEEGWKHPDQTDCN-UHFFFAOYSA-N 0 1 388.431 3.695 20 5 GHBDMN O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1NCc1ncn(-c2ccccc2)n1 ZINC000556257458 861769019 /nfs/dbraw/zinc/76/90/19/861769019.db2.gz GIMNXXVKSUTVIE-APWZRJJASA-N 0 1 377.448 3.677 20 5 GHBDMN Cc1cc(F)cc(C(=O)NC[C@@H](c2cccs2)N2CCCC2)c1[N+](=O)[O-] ZINC000176683592 847661456 /nfs/dbraw/zinc/66/14/56/847661456.db2.gz PMMNDHRTXPHLQW-HNNXBMFYSA-N 0 1 377.441 3.671 20 5 GHBDMN CCc1ccc([C@@H](NC[C@@H]2CCCN(C(C)=O)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000479497187 847671452 /nfs/dbraw/zinc/67/14/52/847671452.db2.gz KOJWZLYRXXNDEN-KKSFZXQISA-N 0 1 385.464 3.688 20 5 GHBDMN CCO[C@H]1C[C@@H](N(C)C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C12CCCCC2 ZINC000303857098 861875503 /nfs/dbraw/zinc/87/55/03/861875503.db2.gz FUFMTHIOVJEGQT-SJORKVTESA-N 0 1 386.452 3.671 20 5 GHBDMN Cc1ccc([C@H](C)N[C@@H](C)C(=O)Nc2ccc3c(c2)OCCCO3)cc1[N+](=O)[O-] ZINC000178690689 848542385 /nfs/dbraw/zinc/54/23/85/848542385.db2.gz XFDGNAKDRMJYGW-GJZGRUSLSA-N 0 1 399.447 3.742 20 5 GHBDMN COC(=O)C1(CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCCC1 ZINC000612404513 848592744 /nfs/dbraw/zinc/59/27/44/848592744.db2.gz OHKAASGIGNEODT-UHFFFAOYSA-N 0 1 375.450 3.541 20 5 GHBDMN COc1cccc(C(=O)N2CCC[C@H]2c2nc3ccc(C)cc3[nH]2)c1[N+](=O)[O-] ZINC000583300688 849579846 /nfs/dbraw/zinc/57/98/46/849579846.db2.gz GMOIISPHCYBVIE-INIZCTEOSA-N 0 1 380.404 3.765 20 5 GHBDMN COC(=O)c1ccc([N+](=O)[O-])c(S[C@H]2CCCN(Cc3ccccc3)C2)n1 ZINC000425277238 850066675 /nfs/dbraw/zinc/06/66/75/850066675.db2.gz FDCRLLYWYVIUCM-HNNXBMFYSA-N 0 1 387.461 3.533 20 5 GHBDMN C[C@H](NCC(=O)Nc1ccc(Br)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000180407660 862123964 /nfs/dbraw/zinc/12/39/64/862123964.db2.gz GTCWNCJIYUSDOA-JTQLQIEISA-N 0 1 396.216 3.786 20 5 GHBDMN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](c1ccco1)N(CC)CC ZINC000439864002 850508098 /nfs/dbraw/zinc/50/80/98/850508098.db2.gz CVFIJBIAHWAKSS-MRXNPFEDSA-N 0 1 390.440 3.791 20 5 GHBDMN CC1(C)[C@H](Oc2ccccc2)C[C@@H]1NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000519025264 850510971 /nfs/dbraw/zinc/51/09/71/850510971.db2.gz NNDMNINPFXUJEI-RBUKOAKNSA-N 0 1 384.432 3.797 20 5 GHBDMN C[C@H]1CCCCN1CCNC(=O)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436119951 851225001 /nfs/dbraw/zinc/22/50/01/851225001.db2.gz UZHWPCVITLGRDP-ZDUSSCGKSA-N 0 1 399.441 3.564 20 5 GHBDMN CC(C)N1CC[C@H](N(C)C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 ZINC000519523173 851257344 /nfs/dbraw/zinc/25/73/44/851257344.db2.gz AYLRMDOGZUIBJL-HNNXBMFYSA-N 0 1 399.441 3.514 20 5 GHBDMN CC[C@@H](C)Oc1cccc(NS(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)c1 ZINC000488248241 851309899 /nfs/dbraw/zinc/30/98/99/851309899.db2.gz CCMPPWLGERJAIK-LLVKDONJSA-N 0 1 398.412 3.721 20 5 GHBDMN CC1CCC(N2CCN(C(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)CC2)CC1 ZINC000514174527 851350309 /nfs/dbraw/zinc/35/03/09/851350309.db2.gz NNIPWLOGSNSZGX-UHFFFAOYSA-N 0 1 397.422 3.533 20 5 GHBDMN CCNC(=O)[C@@H](NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)C(C)C ZINC000550238675 852081107 /nfs/dbraw/zinc/08/11/07/852081107.db2.gz FHYZKMFXFNQVCC-IBGZPJMESA-N 0 1 389.427 3.777 20 5 GHBDMN CCCOc1ccc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1OCC ZINC000425963060 852148300 /nfs/dbraw/zinc/14/83/00/852148300.db2.gz BBWUYKVIBJOHCO-UHFFFAOYSA-N 0 1 388.468 3.816 20 5 GHBDMN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)c1nc2ccc(Cl)cc2[nH]1 ZINC000732544656 862334892 /nfs/dbraw/zinc/33/48/92/862334892.db2.gz RQWMDNIMZXOLTQ-JTQLQIEISA-N 0 1 387.827 3.682 20 5 GHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000506211815 852282457 /nfs/dbraw/zinc/28/24/57/852282457.db2.gz UWGJZWPTPQBKDG-MRXNPFEDSA-N 0 1 397.214 3.821 20 5 GHBDMN O=C([O-])[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1nc(-c2ccccc2)cs1 ZINC000426813628 852424125 /nfs/dbraw/zinc/42/41/25/852424125.db2.gz YGQUGLSDFGSVEC-HNNXBMFYSA-N 0 1 383.429 3.504 20 5 GHBDMN Cc1ccc(SCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)c(C)c1 ZINC000490403499 853013144 /nfs/dbraw/zinc/01/31/44/853013144.db2.gz YBYRPVLLBSEUCE-UHFFFAOYSA-N 0 1 383.433 3.728 20 5 GHBDMN CCn1cc(CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)c2ccccc21 ZINC000490401882 853013240 /nfs/dbraw/zinc/01/32/40/853013240.db2.gz TZVKLMSYVDXFNL-UHFFFAOYSA-N 0 1 390.403 3.536 20 5 GHBDMN CCOc1ccc(NC(=O)CN(CC)[C@H](C)Cc2ccsc2)c([N+](=O)[O-])c1 ZINC000425911135 853572936 /nfs/dbraw/zinc/57/29/36/853572936.db2.gz ARGSVPOGHJPZLE-CQSZACIVSA-N 0 1 391.493 3.947 20 5 GHBDMN CCN(C(=O)c1cc(Cl)ccc1[N+](=O)[O-])[C@H]1CCN(Cc2ccccc2)C1 ZINC000760652746 853581599 /nfs/dbraw/zinc/58/15/99/853581599.db2.gz GCOCGPBNUQTJOZ-KRWDZBQOSA-N 0 1 387.867 3.985 20 5 GHBDMN CCCN(Cc1cc([N+](=O)[O-])ccc1OC)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000729482705 853745481 /nfs/dbraw/zinc/74/54/81/853745481.db2.gz CTJYCQAOPLIMPI-QGZVFWFLSA-N 0 1 393.484 3.825 20 5 GHBDMN CC[C@H](N[C@@H](C)c1cccc(NS(C)(=O)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000164258552 853798406 /nfs/dbraw/zinc/79/84/06/853798406.db2.gz PISXIIHDWRWHTM-UGSOOPFHSA-N 0 1 377.466 3.768 20 5 GHBDMN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000843763928 853850275 /nfs/dbraw/zinc/85/02/75/853850275.db2.gz NYFGMSNOHCKBTL-UHFFFAOYSA-N 0 1 385.439 3.609 20 5 GHBDMN CCOc1ccc(NC(=O)CN(C)[C@H]2CCCc3ccccc32)c([N+](=O)[O-])c1 ZINC000018935255 853983725 /nfs/dbraw/zinc/98/37/25/853983725.db2.gz BQOSTGQDHPZGGZ-IBGZPJMESA-N 0 1 383.448 3.941 20 5 GHBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@H](C)C[C@H]2C(=O)[O-])cc1OC ZINC000572415293 854485182 /nfs/dbraw/zinc/48/51/82/854485182.db2.gz ZXOBTUBPAOBOOW-ZQIUZPCESA-N 0 1 394.468 3.713 20 5 GHBDMN CCN1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)CC1 ZINC000163874076 862589727 /nfs/dbraw/zinc/58/97/27/862589727.db2.gz PMGWULDBGIWHIT-UHFFFAOYSA-N 0 1 377.510 3.797 20 5 GHBDMN COC(=O)c1ccc(CNCc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)cc1 ZINC000589193495 854741217 /nfs/dbraw/zinc/74/12/17/854741217.db2.gz LHTUQAMWSFYKDD-UHFFFAOYSA-N 0 1 396.399 3.940 20 5 GHBDMN COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](Cc2ccccc2)CC2CCOCC2)c1 ZINC000589498478 854910355 /nfs/dbraw/zinc/91/03/55/854910355.db2.gz ZYHQAAMASGWISR-UHFFFAOYSA-N 0 1 398.459 3.810 20 5 GHBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN(Cc2ccccc2)CC2CCOCC2)c1 ZINC000589498478 854910364 /nfs/dbraw/zinc/91/03/64/854910364.db2.gz ZYHQAAMASGWISR-UHFFFAOYSA-N 0 1 398.459 3.810 20 5 GHBDMN Cn1ccnc1[C@H](NC1CCC(OC(F)F)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000590662231 855536433 /nfs/dbraw/zinc/53/64/33/855536433.db2.gz DKPJJKHYFZBXRN-AVVWSFFYSA-N 0 1 380.395 3.558 20 5 GHBDMN COc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)N2CCCCC2)cc1 ZINC000018020397 855708276 /nfs/dbraw/zinc/70/82/76/855708276.db2.gz KIWWCUMGVULTQI-NRFANRHFSA-N 0 1 397.475 3.869 20 5 GHBDMN CCO[C@@H]1C[C@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@@]12CCCO2 ZINC000273599888 855765532 /nfs/dbraw/zinc/76/55/32/855765532.db2.gz LSMZVKYSQWKSEZ-SCTDSRPQSA-N 0 1 389.477 3.535 20 5 GHBDMN CCc1[nH]nc(C(=O)N(C)[C@H]2CCCc3c(OC)ccc(Cl)c32)c1[N+](=O)[O-] ZINC000593878684 862733025 /nfs/dbraw/zinc/73/30/25/862733025.db2.gz FIFPPSCHSFPWRT-ZDUSSCGKSA-N 0 1 392.843 3.692 20 5 GHBDMN NC(=O)c1ccc(CN2CCC[C@H]2Cc2c(F)cccc2Cl)c([N+](=O)[O-])c1 ZINC000053086109 855902206 /nfs/dbraw/zinc/90/22/06/855902206.db2.gz XQIMCGNABLMCDO-AWEZNQCLSA-N 0 1 391.830 3.693 20 5 GHBDMN C[C@H](c1ccccc1Cl)[NH+]1CCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CC1 ZINC000554452443 855912819 /nfs/dbraw/zinc/91/28/19/855912819.db2.gz OOSIGYFONVLCHZ-CYBMUJFWSA-N 0 1 389.839 3.830 20 5 GHBDMN CCCC(=O)Nc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c1C ZINC000172183331 856055805 /nfs/dbraw/zinc/05/58/05/856055805.db2.gz HSGWXDWVJAHSCA-UHFFFAOYSA-N 0 1 391.449 3.751 20 5 GHBDMN CCc1[nH]nc(C(=O)N2CCC(c3c[nH]c4c3cccc4CC)CC2)c1[N+](=O)[O-] ZINC000171804114 856270418 /nfs/dbraw/zinc/27/04/18/856270418.db2.gz FVMFYZMMCQCINO-UHFFFAOYSA-N 0 1 395.463 3.944 20 5 GHBDMN Cc1ccc([C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])c2ccc(F)cc2Cl)cc1 ZINC000153864853 856556379 /nfs/dbraw/zinc/55/63/79/856556379.db2.gz YMVZJXTTZDBRMT-INIZCTEOSA-N 0 1 388.786 3.938 20 5 GHBDMN COc1ccc(OCCN2CCC(c3ncccc3Cl)CC2)c([N+](=O)[O-])c1 ZINC000429207346 862814650 /nfs/dbraw/zinc/81/46/50/862814650.db2.gz PMMUKUIUKHCIEZ-UHFFFAOYSA-N 0 1 391.855 3.910 20 5 GHBDMN CCO[C@@H]1C[C@@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H]1SC ZINC000592375324 856789251 /nfs/dbraw/zinc/78/92/51/856789251.db2.gz CWPHUDUUQQCTOX-OAGGEKHMSA-N 0 1 379.507 3.717 20 5 GHBDMN CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000281086734 862841866 /nfs/dbraw/zinc/84/18/66/862841866.db2.gz DLZUBZXBTLDUFO-HNNXBMFYSA-N 0 1 389.477 3.622 20 5 GHBDMN Cc1cc(CNC(=O)C(F)(F)F)cc(NC(=O)c2cc([N+](=O)[O-])ccc2C)c1 ZINC001128974232 857117906 /nfs/dbraw/zinc/11/79/06/857117906.db2.gz DMWWGWHDHOOAPB-UHFFFAOYSA-N 0 1 395.337 3.642 20 5 GHBDMN Cc1ccc(Br)cc1NC(=O)CCNCc1ccccc1[N+](=O)[O-] ZINC000113353736 857442645 /nfs/dbraw/zinc/44/26/45/857442645.db2.gz QTWOSOZYBPAHCP-UHFFFAOYSA-N 0 1 392.253 3.784 20 5 GHBDMN Cc1ccc(NC(=O)Nc2ccc(N3CCN(C)CC3)cc2C)cc1[N+](=O)[O-] ZINC000113520452 857542551 /nfs/dbraw/zinc/54/25/51/857542551.db2.gz AQXNDBOVZIZWSE-UHFFFAOYSA-N 0 1 383.452 3.607 20 5 GHBDMN C[C@H](N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000249082467 862944458 /nfs/dbraw/zinc/94/44/58/862944458.db2.gz RVJPLWMBBMIJIK-RZAIGCCYSA-N 0 1 389.839 3.695 20 5 GHBDMN O=C(CCOc1ccccc1[N+](=O)[O-])Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1 ZINC000065856896 857829945 /nfs/dbraw/zinc/82/99/45/857829945.db2.gz DWDDPFXUTFQWJJ-GOSISDBHSA-N 0 1 396.403 3.730 20 5 GHBDMN Cc1ccc(-c2[nH][nH]c(=NC(=O)c3cccc4c(=O)c5ccccc5[nH]c34)c2C)o1 ZINC000574516074 858064479 /nfs/dbraw/zinc/06/44/79/858064479.db2.gz VBNYOJWJEWGJSC-UHFFFAOYSA-N 0 1 398.422 3.955 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2ccc(CNCc3nc([C@H]4CCCO4)n[nH]3)s2)cc1 ZINC000594508782 858204170 /nfs/dbraw/zinc/20/41/70/858204170.db2.gz BZBDNGAUZWYBNW-OAHLLOKOSA-N 0 1 385.449 3.583 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCc1cccc(CN2CCCC2=O)c1 ZINC000595008928 858365275 /nfs/dbraw/zinc/36/52/75/858365275.db2.gz WOMDVUCFSPYMCM-OAHLLOKOSA-N 0 1 383.448 3.577 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCc1ccc(NC(=O)NC(C)C)cc1 ZINC000595010402 858365494 /nfs/dbraw/zinc/36/54/94/858365494.db2.gz BUUYZJPPGDFDGA-CQSZACIVSA-N 0 1 386.452 3.984 20 5 GHBDMN Cn1ccnc1[C@H](NC1CCC2(CC2(F)F)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000595098368 858418674 /nfs/dbraw/zinc/41/86/74/858418674.db2.gz PFDWBLVUGFGZHB-BFHRDPOASA-N 0 1 376.407 3.975 20 5 GHBDMN COc1cc(N2CCCN(Cc3ccc(F)cc3)CC2)c(F)cc1[N+](=O)[O-] ZINC000301881854 858508430 /nfs/dbraw/zinc/50/84/30/858508430.db2.gz WIZKSPREKRSWEK-UHFFFAOYSA-N 0 1 377.391 3.594 20 5 GHBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C)[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000595523747 858552541 /nfs/dbraw/zinc/55/25/41/858552541.db2.gz LRNZQNAXZYXCDD-LJQANCHMSA-N 0 1 381.436 3.722 20 5 GHBDMN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000184918472 858703760 /nfs/dbraw/zinc/70/37/60/858703760.db2.gz HASLWNOCLGEQAV-NVXWUHKLSA-N 0 1 397.479 3.565 20 5 GHBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000595908446 858714381 /nfs/dbraw/zinc/71/43/81/858714381.db2.gz IJFMSPFXGAJZKO-PNHOKKKMSA-N 0 1 384.436 3.598 20 5 GHBDMN NC(=O)c1cc(NC[C@H](c2ccccc2Cl)N2CCCC2)ccc1[N+](=O)[O-] ZINC000596059470 858747657 /nfs/dbraw/zinc/74/76/57/858747657.db2.gz JAWKSZAQWJJSQZ-GOSISDBHSA-N 0 1 388.855 3.596 20 5 GHBDMN CCN1CCN(c2ccc(CNc3ccc(C(F)F)cc3[N+](=O)[O-])cn2)CC1 ZINC000596076642 858773926 /nfs/dbraw/zinc/77/39/26/858773926.db2.gz ISOKKAPEQKHGTP-UHFFFAOYSA-N 0 1 391.422 3.681 20 5 GHBDMN COc1cc(N2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596178864 858798775 /nfs/dbraw/zinc/79/87/75/858798775.db2.gz STJVSDKGGKHIKW-NSHDSACASA-N 0 1 377.832 3.636 20 5 GHBDMN COc1cc(N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596178864 858798784 /nfs/dbraw/zinc/79/87/84/858798784.db2.gz STJVSDKGGKHIKW-NSHDSACASA-N 0 1 377.832 3.636 20 5 GHBDMN COc1ccc(C[C@@H](C)NCc2nc(Br)cs2)c([N+](=O)[O-])c1 ZINC001170321335 881354973 /nfs/dbraw/zinc/35/49/73/881354973.db2.gz AILBRZRRCPEJBD-SECBINFHSA-N 0 1 386.271 3.543 20 5 GHBDMN C[C@@H](C(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000544564869 858887554 /nfs/dbraw/zinc/88/75/54/858887554.db2.gz KTHPEVVVZNSDBD-XIKOKIGWSA-N 0 1 393.846 3.910 20 5 GHBDMN COc1cccc([C@@H]2[C@H](NC(=O)c3cc(C)cc([N+](=O)[O-])c3)CCN2C2CC2)c1 ZINC000482827263 858887952 /nfs/dbraw/zinc/88/79/52/858887952.db2.gz QVJQIPXKKVXVER-NHCUHLMSSA-N 0 1 395.459 3.620 20 5 GHBDMN Cc1ccc(-c2n[nH]c(NC(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)n2)o1 ZINC000160427805 858894427 /nfs/dbraw/zinc/89/44/27/858894427.db2.gz CSRILTCRDHNPBD-UHFFFAOYSA-N 0 1 396.388 3.657 20 5 GHBDMN COc1ccc(C[C@@H](C)NCc2ncc(Br)s2)c([N+](=O)[O-])c1 ZINC001170328865 881368234 /nfs/dbraw/zinc/36/82/34/881368234.db2.gz WUDRCWMKXLRQTK-SECBINFHSA-N 0 1 386.271 3.543 20 5 GHBDMN COc1ccc(C[C@H](C)N2CCC([C@](C)(O)C(F)(F)F)CC2)c([N+](=O)[O-])c1 ZINC001170353448 881389685 /nfs/dbraw/zinc/38/96/85/881389685.db2.gz YJCHWMAQQHABIN-SJCJKPOMSA-N 0 1 390.402 3.560 20 5 GHBDMN O=C(NC[C@H]1CCN1Cc1ccccc1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000596956886 859194089 /nfs/dbraw/zinc/19/40/89/859194089.db2.gz ZNVIDMGTCZEFDY-HXUWFJFHSA-N 0 1 394.475 3.543 20 5 GHBDMN CCO[C@@H]1C[C@H](N(C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)C12CCCC2 ZINC000121133674 859343248 /nfs/dbraw/zinc/34/32/48/859343248.db2.gz BNSPPLFPBIGKOO-ZWKOTPCHSA-N 0 1 376.453 3.631 20 5 GHBDMN CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000161083290 859567131 /nfs/dbraw/zinc/56/71/31/859567131.db2.gz KRTNWHIOJSWMPZ-KRWDZBQOSA-N 0 1 391.468 3.879 20 5 GHBDMN O=C(N[C@H]1CCc2nc[nH]c2C1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000611213822 859644675 /nfs/dbraw/zinc/64/46/75/859644675.db2.gz QUARLYYUYMBNRG-LBPRGKRZSA-N 0 1 386.477 3.640 20 5 GHBDMN CCc1ccc([C@H](N[C@H]2CCO[C@@]3(CCOC3)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543422440 859655839 /nfs/dbraw/zinc/65/58/39/859655839.db2.gz BSIJXAGHIVLFNF-DQLDELGASA-N 0 1 386.448 3.767 20 5 GHBDMN CC(C)CN1Cc2cccc(NC(=O)Cn3ncc4ccc([N+](=O)[O-])cc43)c2C1 ZINC000764933169 859689207 /nfs/dbraw/zinc/68/92/07/859689207.db2.gz FNKWYNVCNOYBLO-UHFFFAOYSA-N 0 1 393.447 3.555 20 5 GHBDMN CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1cccs1)N(C)C ZINC000161276090 859784111 /nfs/dbraw/zinc/78/41/11/859784111.db2.gz FUQGNHOQSOWINL-AWEZNQCLSA-N 0 1 379.507 3.801 20 5 GHBDMN COc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)cc(OC)c1C(C)C ZINC000484260694 859906137 /nfs/dbraw/zinc/90/61/37/859906137.db2.gz GWVJQPYYHUZVCH-UHFFFAOYSA-N 0 1 394.449 3.845 20 5 GHBDMN CN(C)[C@H](CNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cccs1 ZINC000123689087 860040458 /nfs/dbraw/zinc/04/04/58/860040458.db2.gz PXUUDVIOYLFQLQ-CYBMUJFWSA-N 0 1 387.383 3.708 20 5 GHBDMN CC(C)n1c2ccccc2nc1[C@H]1CCCN(Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602470461 860045342 /nfs/dbraw/zinc/04/53/42/860045342.db2.gz YYYTWPZUICZRCF-HNNXBMFYSA-N 0 1 382.468 3.639 20 5 GHBDMN CCOc1cccc(N2CCN([C@H](C)Cc3ccc(OC)cc3[N+](=O)[O-])CC2)c1 ZINC001170351615 881498307 /nfs/dbraw/zinc/49/83/07/881498307.db2.gz GLOIQONCRAVAKG-QGZVFWFLSA-N 0 1 399.491 3.755 20 5 GHBDMN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CN1CCC(OC[C@H]2CCOC2)CC1 ZINC000602604051 860165411 /nfs/dbraw/zinc/16/54/11/860165411.db2.gz HQSGQEQCLMPAGI-ZDUSSCGKSA-N 0 1 388.386 3.631 20 5 GHBDMN COc1ccc(CCNCc2nc3cc([N+](=O)[O-])ccc3o2)c(Cl)c1OC ZINC000602673939 860192303 /nfs/dbraw/zinc/19/23/03/860192303.db2.gz FFINMTYBIVFRCO-UHFFFAOYSA-N 0 1 391.811 3.739 20 5 GHBDMN CCOc1ccc([C@H](NCc2cn(C)nc2[N+](=O)[O-])C(C)C)cc1OCC ZINC000602803344 860288539 /nfs/dbraw/zinc/28/85/39/860288539.db2.gz WVQJHGUAFFQYJN-GOSISDBHSA-N 0 1 376.457 3.613 20 5 GHBDMN Nc1ccc(NS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000060934582 860361700 /nfs/dbraw/zinc/36/17/00/860361700.db2.gz AICLJLRJHMZKLI-UHFFFAOYSA-N 0 1 395.746 3.650 20 5 GHBDMN COc1ccc([C@H]2CCN(Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C2)cc1 ZINC000155213807 860443350 /nfs/dbraw/zinc/44/33/50/860443350.db2.gz HQJYKDAVSDXGSP-INIZCTEOSA-N 0 1 380.404 3.643 20 5 GHBDMN COCCOc1ccccc1CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000130737753 860453824 /nfs/dbraw/zinc/45/38/24/860453824.db2.gz VMCLLLDAELEROA-UHFFFAOYSA-N 0 1 386.448 3.663 20 5 GHBDMN COc1cc(CN[C@@H]2CO[C@H](C3CC3)C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000599007606 860723845 /nfs/dbraw/zinc/72/38/45/860723845.db2.gz QOIMLCGLNJMLJM-ICSRJNTNSA-N 0 1 398.459 3.840 20 5 GHBDMN Cc1ccccc1CN1CCCN(C(=O)CSc2cccc([N+](=O)[O-])c2)CC1 ZINC000509088218 860943456 /nfs/dbraw/zinc/94/34/56/860943456.db2.gz AQRGNUGIGWMHNK-UHFFFAOYSA-N 0 1 399.516 3.730 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1C ZINC000509089972 860952217 /nfs/dbraw/zinc/95/22/17/860952217.db2.gz PIWLIYPJYRPHEZ-UHFFFAOYSA-N 0 1 390.339 3.731 20 5 GHBDMN C[C@H](N[C@@H](C)[C@H]1COc2ccccc21)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000248628157 863202494 /nfs/dbraw/zinc/20/24/94/863202494.db2.gz VPCBJAPGZJGVLQ-GDZNZVCISA-N 0 1 380.404 3.860 20 5 GHBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C[C@H]1CCCO1)C1CCC(C)CC1 ZINC000444214135 863687560 /nfs/dbraw/zinc/68/75/60/863687560.db2.gz QUHASRXYRRJSMH-VMWRSERWSA-N 0 1 389.496 3.901 20 5 GHBDMN Cc1cccc2nc(CNC(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)[nH]c21 ZINC000444283427 863814544 /nfs/dbraw/zinc/81/45/44/863814544.db2.gz CVQPHJZWSDGMKM-UHFFFAOYSA-N 0 1 382.423 3.796 20 5 GHBDMN CC(C)OC(=O)C[C@@H](NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C(C)C ZINC000594042894 863878888 /nfs/dbraw/zinc/87/88/88/863878888.db2.gz HYZCBCQTZJXITG-QGZVFWFLSA-N 0 1 375.425 3.706 20 5 GHBDMN COC(=O)COc1ccc(CN2CCC[C@H]2/C=C/c2ccccc2)cc1[N+](=O)[O-] ZINC000475103992 864203926 /nfs/dbraw/zinc/20/39/26/864203926.db2.gz OFINWXFQRCXKQV-JARZOMNASA-N 0 1 396.443 3.824 20 5 GHBDMN COc1ccc(-c2ccc(CN[C@](C)(CO)c3ccccc3)o2)c([N+](=O)[O-])c1 ZINC000237440782 864571956 /nfs/dbraw/zinc/57/19/56/864571956.db2.gz VGANARRXSVHWCR-OAQYLSRUSA-N 0 1 382.416 3.861 20 5 GHBDMN Cc1nn(CCC(=O)Nc2ccc3nc(-c4ccco4)[nH]c3c2)c(C)c1[N+](=O)[O-] ZINC000608812682 865718389 /nfs/dbraw/zinc/71/83/89/865718389.db2.gz YEUJKQVDCVMSON-UHFFFAOYSA-N 0 1 394.391 3.573 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(F)ccc1N1CCCCC1 ZINC000608886800 865815578 /nfs/dbraw/zinc/81/55/78/865815578.db2.gz HAXGKBLDDPAMGN-UHFFFAOYSA-N 0 1 393.440 3.833 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C(=O)NC2CCCCC2)c(O)c1 ZINC000444378046 866020466 /nfs/dbraw/zinc/02/04/66/866020466.db2.gz YTMYHMVECSRNPR-UHFFFAOYSA-N 0 1 397.431 3.924 20 5 GHBDMN CCOc1cc(N2CCN(Cc3cccc4cccnc43)CC2)ccc1[N+](=O)[O-] ZINC000475494052 866047516 /nfs/dbraw/zinc/04/75/16/866047516.db2.gz ICYDHCLLFWEQJX-UHFFFAOYSA-N 0 1 392.459 3.864 20 5 GHBDMN O=C(NCC1(CCOCc2ccccc2)CC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000186522126 866112102 /nfs/dbraw/zinc/11/21/02/866112102.db2.gz UZPAUTYDCZIMLA-UHFFFAOYSA-N 0 1 394.431 3.588 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCNC(C)(C)c1nc2ccccc2n1C ZINC000186581909 866184419 /nfs/dbraw/zinc/18/44/19/866184419.db2.gz FIUDJZGKQWJCAD-UHFFFAOYSA-N 0 1 395.463 3.643 20 5 GHBDMN C[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1-n1cccn1 ZINC000183135167 866267136 /nfs/dbraw/zinc/26/71/36/866267136.db2.gz JTRDXAMPFMUXEB-CYBMUJFWSA-N 0 1 399.838 3.723 20 5 GHBDMN Cc1[nH]nc(C(=O)N2CCc3ccccc3[C@H]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000534207799 866274171 /nfs/dbraw/zinc/27/41/71/866274171.db2.gz SKDYIBCJXOHQAR-GOSISDBHSA-N 0 1 376.416 3.609 20 5 GHBDMN O=[N+]([O-])c1cn(CN2CCCC[C@@H]2Cc2ccccc2)nc1-c1ccncc1 ZINC000742147851 867081296 /nfs/dbraw/zinc/08/12/96/867081296.db2.gz NPGPIYXZPKAUMS-LJQANCHMSA-N 0 1 377.448 3.908 20 5 GHBDMN CCO[C@@H]1C[C@@H](NCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C12CCCCC2 ZINC000429790043 867336324 /nfs/dbraw/zinc/33/63/24/867336324.db2.gz SREHNYCHINCDJI-IAGOWNOFSA-N 0 1 386.452 3.862 20 5 GHBDMN Cc1ccc2nc(CNC(=O)c3cccc4c(=O)c5ccccc5[nH]c34)[nH]c2c1 ZINC000444999123 867570695 /nfs/dbraw/zinc/57/06/95/867570695.db2.gz UJOHWOKTEXYCDB-UHFFFAOYSA-N 0 1 382.423 3.796 20 5 GHBDMN CC[C@H](CSc1ccccc1[N+](=O)[O-])NCc1ncnn1-c1ccccc1 ZINC000479461018 867805088 /nfs/dbraw/zinc/80/50/88/867805088.db2.gz AOHCNIGTIWRDRY-OAHLLOKOSA-N 0 1 383.477 3.836 20 5 GHBDMN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2NCc2c(F)cccc2OC(F)F)n1 ZINC000479491089 867877196 /nfs/dbraw/zinc/87/71/96/867877196.db2.gz RICJZEPDAMKFAB-UONOGXRCSA-N 0 1 384.358 3.805 20 5 GHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCc2c(ccc(Cl)c2Cl)C1 ZINC000523907552 868258861 /nfs/dbraw/zinc/25/88/61/868258861.db2.gz JGSVOJJICXAUHR-UHFFFAOYSA-N 0 1 391.214 3.976 20 5 GHBDMN CC(C)(NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)N1CCCC1 ZINC000793394788 882169496 /nfs/dbraw/zinc/16/94/96/882169496.db2.gz LIUFPXNVEZTWBS-UHFFFAOYSA-N 0 1 391.855 3.999 20 5 GHBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)C[C@H](C)C(=O)OC(C)(C)C ZINC000459812019 869063445 /nfs/dbraw/zinc/06/34/45/869063445.db2.gz RKPGUFIPAZRKGI-QWHCGFSZSA-N 0 1 390.440 3.615 20 5 GHBDMN CCCCc1nc2ccc(NC(=O)COc3ccc([N+](=O)[O-])c(F)c3)cc2[nH]1 ZINC000745775099 869804678 /nfs/dbraw/zinc/80/46/78/869804678.db2.gz ABQYLZLHVBQSFG-UHFFFAOYSA-N 0 1 386.383 3.970 20 5 GHBDMN COCc1cc([N+](=O)[O-])ccc1NCc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000525127846 870030043 /nfs/dbraw/zinc/03/00/43/870030043.db2.gz JBLTZUPVMKWJDK-CALCHBBNSA-N 0 1 399.491 3.963 20 5 GHBDMN CCOc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 ZINC000446999379 870846348 /nfs/dbraw/zinc/84/63/48/870846348.db2.gz HSFUYFJNSTWLSW-UHFFFAOYSA-N 0 1 390.339 3.813 20 5 GHBDMN CC[N@@H+](CCC1CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC1)CC(C)C ZINC000540300793 870943845 /nfs/dbraw/zinc/94/38/45/870943845.db2.gz GBNBMTMLMZAAMW-UHFFFAOYSA-N 0 1 377.485 3.521 20 5 GHBDMN CC[C@H](NCc1ccc([N+](=O)[O-])cc1)c1ccccc1OCC(=O)N1CCCC1 ZINC000069754633 871472783 /nfs/dbraw/zinc/47/27/83/871472783.db2.gz KZGXUSLSHFLNMB-FQEVSTJZSA-N 0 1 397.475 3.837 20 5 GHBDMN CSc1ccc(CN(C)C(=O)CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000181807968 871497180 /nfs/dbraw/zinc/49/71/80/871497180.db2.gz DJKGASXNWHBTNK-HNNXBMFYSA-N 0 1 387.505 3.934 20 5 GHBDMN COC(=O)c1ccsc1NC(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000447376288 871498838 /nfs/dbraw/zinc/49/88/38/871498838.db2.gz SRXNJDVYTCUATK-UHFFFAOYSA-N 0 1 391.224 3.519 20 5 GHBDMN COc1ccc(NC(=O)CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1Cl ZINC000181814792 871505134 /nfs/dbraw/zinc/50/51/34/871505134.db2.gz XOWQEMGPOUUBDN-GFCCVEGCSA-N 0 1 377.828 3.855 20 5 GHBDMN Cc1ccc([C@H](C)NCC(=O)NCCc2nc3ccccc3s2)cc1[N+](=O)[O-] ZINC000181824865 871525435 /nfs/dbraw/zinc/52/54/35/871525435.db2.gz IZEMDWUZMLNSGW-AWEZNQCLSA-N 0 1 398.488 3.522 20 5 GHBDMN Cc1ccc([C@H](C)NCC(=O)N(Cc2ccco2)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000181840016 871536782 /nfs/dbraw/zinc/53/67/82/871536782.db2.gz UUDMMJBBXWMFER-ZDUSSCGKSA-N 0 1 399.369 3.738 20 5 GHBDMN C[C@@H](NCC(=O)NCCc1cccc(Cl)c1Cl)c1cccc([N+](=O)[O-])c1 ZINC000539277905 871606353 /nfs/dbraw/zinc/60/63/53/871606353.db2.gz ZSRVLFDUPBXRFQ-GFCCVEGCSA-N 0 1 396.274 3.911 20 5 GHBDMN CSc1cccc(C(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@@H]2C)c1[N+](=O)[O-] ZINC001169537857 871614268 /nfs/dbraw/zinc/61/42/68/871614268.db2.gz BYPHSTVFUIEOMT-MAUKXSAKSA-N 0 1 399.516 3.957 20 5 GHBDMN O=[N+]([O-])c1ccc2c(c1)[C@H](NCc1cc(F)ccc1N1CCOCC1)CCC2 ZINC000447545224 871816853 /nfs/dbraw/zinc/81/68/53/871816853.db2.gz WTUQUUIPTWMXKY-HXUWFJFHSA-N 0 1 385.439 3.738 20 5 GHBDMN O=C1C[C@@H](N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CN1c1c(F)cccc1F ZINC000447576154 871919703 /nfs/dbraw/zinc/91/97/03/871919703.db2.gz WMQRBWPBSQHSPU-FZKQIMNGSA-N 0 1 387.386 3.646 20 5 GHBDMN Cn1ccnc1[C@H](NC[C@H]1CCO[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000552056489 871947009 /nfs/dbraw/zinc/94/70/09/871947009.db2.gz FJAUMJLNMOMFCM-HMXCVIKNSA-N 0 1 392.459 3.785 20 5 GHBDMN CC(C)C[C@@](C)(NC(=O)c1n[nH]cc1[N+](=O)[O-])c1cccc(Br)c1 ZINC000477983620 872278343 /nfs/dbraw/zinc/27/83/43/872278343.db2.gz JVKZZPOLPKIJMR-MRXNPFEDSA-N 0 1 395.257 3.772 20 5 GHBDMN COc1ccc(C[C@H](C)CN[C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000552275311 872373103 /nfs/dbraw/zinc/37/31/03/872373103.db2.gz RLXDTAFEDJUXQD-HRAATJIYSA-N 0 1 394.475 3.895 20 5 GHBDMN COc1cc(CN2CCC[C@H]2CSC)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000093761094 872393717 /nfs/dbraw/zinc/39/37/17/872393717.db2.gz ABMYBGUYCCEHAV-LBPRGKRZSA-N 0 1 394.415 3.872 20 5 GHBDMN COC(=O)CC1(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCCC1 ZINC000526989536 872430554 /nfs/dbraw/zinc/43/05/54/872430554.db2.gz OHNZIDNQCCLBOA-UHFFFAOYSA-N 0 1 375.450 3.684 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1C[C@H]2[C@H](C[C@@H]2c2ccccc2)C1 ZINC001196899197 873465955 /nfs/dbraw/zinc/46/59/55/873465955.db2.gz NWJYFGPRGGMHMW-WLWJZTKJSA-N 0 1 395.459 3.666 20 5 GHBDMN O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000448603708 873657245 /nfs/dbraw/zinc/65/72/45/873657245.db2.gz ALWGZXFEPAKAGT-OAHLLOKOSA-N 0 1 393.365 3.618 20 5 GHBDMN CC(=O)OC1CCN(Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000769426332 874048384 /nfs/dbraw/zinc/04/83/84/874048384.db2.gz QEXLFPSUGJOZJT-UHFFFAOYSA-N 0 1 383.448 3.890 20 5 GHBDMN O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3cnc(-c4ccccc4F)s3)C2)nc1 ZINC000449031837 874371344 /nfs/dbraw/zinc/37/13/44/874371344.db2.gz WOYVAUVNDKYVSI-CYBMUJFWSA-N 0 1 399.451 3.939 20 5 GHBDMN O=C(NC[C@@H](c1ccco1)N1CCCC1)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000770009685 874400383 /nfs/dbraw/zinc/40/03/83/874400383.db2.gz LXCWMDGCIXVBRQ-HNNXBMFYSA-N 0 1 378.816 3.800 20 5 GHBDMN CC[C@@H]1CCCCN1C(=O)[C@H](C)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000464782983 874485159 /nfs/dbraw/zinc/48/51/59/874485159.db2.gz DOSORRGGZZJATH-DLBZAZTESA-N 0 1 389.496 3.618 20 5 GHBDMN CCOC(=O)c1cc(CNCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[nH]c1C ZINC000449285769 874671837 /nfs/dbraw/zinc/67/18/37/874671837.db2.gz FUXFXSISIISGSQ-UHFFFAOYSA-N 0 1 385.342 3.717 20 5 GHBDMN Cc1cc(F)cc(NS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)c1 ZINC000770478883 874724212 /nfs/dbraw/zinc/72/42/12/874724212.db2.gz MYAWLCZRZSNSBS-UHFFFAOYSA-N 0 1 389.202 3.606 20 5 GHBDMN COC(=O)[C@@H]1CCCC[C@@H]1NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000449515416 874983972 /nfs/dbraw/zinc/98/39/72/874983972.db2.gz ZBEHFEZNFXNYDK-CVEARBPZSA-N 0 1 375.450 3.540 20 5 GHBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(SC(F)F)nc1 ZINC000771130289 875063335 /nfs/dbraw/zinc/06/33/35/875063335.db2.gz GVDGVQPIFDGUTO-UHFFFAOYSA-N 0 1 389.405 3.668 20 5 GHBDMN Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000772106346 875697329 /nfs/dbraw/zinc/69/73/29/875697329.db2.gz JTRBRZDYBDUONH-UHFFFAOYSA-N 0 1 379.372 3.641 20 5 GHBDMN Cc1c(NS(=O)(=O)c2ccc(F)cc2Br)cccc1[N+](=O)[O-] ZINC000129920362 875733690 /nfs/dbraw/zinc/73/36/90/875733690.db2.gz WYJBHFHZKSXPDC-UHFFFAOYSA-N 0 1 389.202 3.606 20 5 GHBDMN Cc1n[nH]c(C(C)C)c1C(=O)O[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000786338669 876636971 /nfs/dbraw/zinc/63/69/71/876636971.db2.gz CPBKPEQZUFUNPP-LLVKDONJSA-N 0 1 385.380 3.718 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@H](O)c1ccccc1Br ZINC000850475388 876953657 /nfs/dbraw/zinc/95/36/57/876953657.db2.gz WQURJYLRGGVEKK-ZBEGNZNMSA-N 0 1 395.253 3.750 20 5 GHBDMN CCOc1ccc([C@@H](C)NCc2ccc(N3CCCNC3=O)cc2)cc1[N+](=O)[O-] ZINC000850575696 877042577 /nfs/dbraw/zinc/04/25/77/877042577.db2.gz YVJAHKGGVPODHA-OAHLLOKOSA-N 0 1 398.463 3.764 20 5 GHBDMN CC1(C)CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)CC2(CCCC2)O1 ZINC000451270917 877688809 /nfs/dbraw/zinc/68/88/09/877688809.db2.gz SUSQFMCKWXKFHX-UHFFFAOYSA-N 0 1 384.436 3.549 20 5 GHBDMN O=C1NCCCC[C@@H]1NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000237930740 878347126 /nfs/dbraw/zinc/34/71/26/878347126.db2.gz HGOHHHBUWNLHQN-HNNXBMFYSA-N 0 1 389.839 3.799 20 5 GHBDMN O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)cc1 ZINC000537854475 878435450 /nfs/dbraw/zinc/43/54/50/878435450.db2.gz DMZWBADVFXIPOX-MRXNPFEDSA-N 0 1 381.354 3.704 20 5 GHBDMN CC[C@@H](N[C@@H]1CCN(CCCc2ccccc2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000537946624 878604572 /nfs/dbraw/zinc/60/45/72/878604572.db2.gz MNJROSOGWVWQSG-NHCUHLMSSA-N 0 1 381.476 3.869 20 5 GHBDMN Cc1nc2cc(NS(=O)(=O)c3cc(Cl)c(C)c([N+](=O)[O-])c3)ccc2n1C ZINC000530960682 878806454 /nfs/dbraw/zinc/80/64/54/878806454.db2.gz YHEZENVCDACUSL-UHFFFAOYSA-N 0 1 394.840 3.553 20 5 GHBDMN C[C@H](NCC(=O)N(Cc1ccccc1)CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000538176846 878980649 /nfs/dbraw/zinc/98/06/49/878980649.db2.gz NZHFERZJGVRGGT-AWEZNQCLSA-N 0 1 395.381 3.837 20 5 GHBDMN O=C(Nc1ccccc1)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000063878426 879308947 /nfs/dbraw/zinc/30/89/47/879308947.db2.gz VGZDKENNQYDUNA-UHFFFAOYSA-N 0 1 397.412 3.648 20 5 GHBDMN CN(C)[C@@H]1CCOc2c(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])cccc21 ZINC000790243951 879543235 /nfs/dbraw/zinc/54/32/35/879543235.db2.gz UGXOJIPESSRMJQ-OAHLLOKOSA-N 0 1 375.812 3.886 20 5 GHBDMN CC[C@H](C)n1ncc(NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)c1C ZINC000790417468 879698827 /nfs/dbraw/zinc/69/88/27/879698827.db2.gz KJOHMBFTHNHJBN-JTQLQIEISA-N 0 1 386.861 3.833 20 5 GHBDMN Cc1c(CN[C@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] ZINC000493962816 879779857 /nfs/dbraw/zinc/77/98/57/879779857.db2.gz WIUYVEKIILYROA-QFBILLFUSA-N 0 1 391.830 3.757 20 5 GHBDMN Cc1[nH+]c2ccc(Cl)cn2c1[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000790639174 879877098 /nfs/dbraw/zinc/87/70/98/879877098.db2.gz WZPYCIPUWIQQGJ-UHFFFAOYSA-N 0 1 394.840 3.622 20 5 GHBDMN Cc1cc([N+](=O)[O-])cc(C(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)c1F ZINC000790812082 879985400 /nfs/dbraw/zinc/98/54/00/879985400.db2.gz CYHZHXXFXATWDV-KRWDZBQOSA-N 0 1 385.439 3.779 20 5 GHBDMN CC(C)c1nc2c([nH]1)CC[C@H](C(=O)N1CCC[C@H](c3ccc([N+](=O)[O-])cc3)C1)C2 ZINC000452861693 880163121 /nfs/dbraw/zinc/16/31/21/880163121.db2.gz UFKRFZQVTVTUGJ-IRXDYDNUSA-N 0 1 396.491 3.952 20 5 GHBDMN CC(C)N(CCc1nccs1)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000774638203 912564094 /nfs/dbraw/zinc/56/40/94/912564094.db2.gz FASQJFPMTGSZAK-UHFFFAOYSA-N 0 1 379.873 3.965 20 5 GHBDMN O=C1[C@@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C[C@H]2CCCCN12 ZINC000453637535 881187686 /nfs/dbraw/zinc/18/76/86/881187686.db2.gz UYYBIUSSWDOWRC-PXAZEXFGSA-N 0 1 389.839 3.751 20 5 GHBDMN O=c1cc(CN2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c2c(ccc3ccccc32)o1 ZINC000286408149 912733596 /nfs/dbraw/zinc/73/35/96/912733596.db2.gz HTCNQNVOPCJNKS-DOTOQJQBSA-N 0 1 391.389 3.939 20 5 GHBDMN CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000609891299 883799830 /nfs/dbraw/zinc/79/98/30/883799830.db2.gz XBULEUWPPAAZMC-DYZYQPBXSA-N 0 1 388.811 3.631 20 5 GHBDMN CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000609891298 883800073 /nfs/dbraw/zinc/80/00/73/883800073.db2.gz XBULEUWPPAAZMC-BTDLBPIBSA-N 0 1 388.811 3.631 20 5 GHBDMN CC(C)(C)OC(=O)N1CC[C@@H]1CNCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001183727960 912758364 /nfs/dbraw/zinc/75/83/64/912758364.db2.gz NMPWDAUWGDGZKQ-CYBMUJFWSA-N 0 1 389.374 3.713 20 5 GHBDMN C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000859801520 884076418 /nfs/dbraw/zinc/07/64/18/884076418.db2.gz SGHYZIUZRRTOPI-HNNXBMFYSA-N 0 1 387.867 3.985 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)Cc1ccccc1Cl ZINC000026224932 884188065 /nfs/dbraw/zinc/18/80/65/884188065.db2.gz GIIWCKLQPFYIGB-UHFFFAOYSA-N 0 1 377.828 3.717 20 5 GHBDMN O=C(CCN[C@@H](c1ccccc1)c1ccccn1)Nc1ccccc1[N+](=O)[O-] ZINC000026230674 884218147 /nfs/dbraw/zinc/21/81/47/884218147.db2.gz WIBRUKQLFJUNRZ-NRFANRHFSA-N 0 1 376.416 3.698 20 5 GHBDMN Cc1ccc(Br)c(S(=O)(=O)Nc2cc(F)cc([N+](=O)[O-])c2)c1 ZINC000475823728 884327665 /nfs/dbraw/zinc/32/76/65/884327665.db2.gz GSDFGFDYEBVSRW-UHFFFAOYSA-N 0 1 389.202 3.606 20 5 GHBDMN CN(CCCN(C)C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1)Cc1ccco1 ZINC000806253045 884540711 /nfs/dbraw/zinc/54/07/11/884540711.db2.gz NNPNMQQOAAEGQG-UHFFFAOYSA-N 0 1 380.832 3.827 20 5 GHBDMN Cc1cc(C(=O)OCc2cc(O)ccc2[N+](=O)[O-])c(C)n1C[C@@H]1CCCOC1 ZINC000860364927 884605779 /nfs/dbraw/zinc/60/57/79/884605779.db2.gz QDZPWGXNKZRSPY-HNNXBMFYSA-N 0 1 388.420 3.502 20 5 GHBDMN COc1ccc(S(=O)(=O)Nc2cc(F)cc([N+](=O)[O-])c2)c(Cl)c1Cl ZINC000475828661 884641709 /nfs/dbraw/zinc/64/17/09/884641709.db2.gz KTMVFVCCSNDGET-UHFFFAOYSA-N 0 1 395.195 3.850 20 5 GHBDMN Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc3nc(-c4ccccc4Cl)[nH]c3c2)n1 ZINC000495290678 885156201 /nfs/dbraw/zinc/15/62/01/885156201.db2.gz YKVNDSYRKITCBI-UHFFFAOYSA-N 0 1 396.794 3.777 20 5 GHBDMN Cc1nc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Br)cc2[nH]1 ZINC000532440154 885427996 /nfs/dbraw/zinc/42/79/96/885427996.db2.gz BOQMEEVZJBUHAD-UHFFFAOYSA-N 0 1 375.182 3.794 20 5 GHBDMN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CCN(C)CC[C@H]2C)cc1 ZINC000498728733 885534322 /nfs/dbraw/zinc/53/43/22/885534322.db2.gz LWTUMFCMPDGIRZ-OAHLLOKOSA-N 0 1 399.447 3.562 20 5 GHBDMN O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)nc2)c1Cl ZINC000821139938 913011343 /nfs/dbraw/zinc/01/13/43/913011343.db2.gz JSIVDLOEWCNWER-UHFFFAOYSA-N 0 1 382.612 3.751 20 5 GHBDMN Cc1ccccc1C1CC([N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C2CC2)C1 ZINC000532585606 886188682 /nfs/dbraw/zinc/18/86/82/886188682.db2.gz YKDPNDYWRXIOOA-UHFFFAOYSA-N 0 1 379.460 3.913 20 5 GHBDMN Cc1ccccc1C1CC(N(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C2CC2)C1 ZINC000532585606 886188689 /nfs/dbraw/zinc/18/86/89/886188689.db2.gz YKDPNDYWRXIOOA-UHFFFAOYSA-N 0 1 379.460 3.913 20 5 GHBDMN CCOc1ccc([N+](=O)[O-])cc1CNC[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000808427614 886315554 /nfs/dbraw/zinc/31/55/54/886315554.db2.gz YQGCIEVKBUXAOO-INIZCTEOSA-N 0 1 384.354 3.836 20 5 GHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCc2c(cccc2C(F)(F)F)C1 ZINC001131933203 887941089 /nfs/dbraw/zinc/94/10/89/887941089.db2.gz ZBJZNEPHBRVTAG-UHFFFAOYSA-N 0 1 390.321 3.688 20 5 GHBDMN COc1ccc(Cl)cc1NC(=O)[C@@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000194059783 887996234 /nfs/dbraw/zinc/99/62/34/887996234.db2.gz OSDDDLIFJWMROS-NWDGAFQWSA-N 0 1 377.828 3.935 20 5 GHBDMN COc1ccc(CN[C@H](C)c2ccc(N3CCCCC3=O)cc2)cc1[N+](=O)[O-] ZINC000810130849 888197789 /nfs/dbraw/zinc/19/77/89/888197789.db2.gz YBGYLPUWUFVZOS-OAHLLOKOSA-N 0 1 383.448 3.971 20 5 GHBDMN O=C(Nc1ccncc1[N+](=O)[O-])N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000272736386 888530715 /nfs/dbraw/zinc/53/07/15/888530715.db2.gz QDLUJBDKBPHJOX-AWEZNQCLSA-N 0 1 399.455 3.567 20 5 GHBDMN C[C@]1(c2ccc(F)cc2)CCN(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000794899936 888748873 /nfs/dbraw/zinc/74/88/73/888748873.db2.gz JWJMEBNESUPLIP-FQEVSTJZSA-N 0 1 381.411 3.614 20 5 GHBDMN CCc1cc2c(C[N@H+](C)CCc3ccccc3[N+](=O)[O-])cc(=O)oc2cc1[O-] ZINC000796110644 913286459 /nfs/dbraw/zinc/28/64/59/913286459.db2.gz AVMAHALSUYWNNL-UHFFFAOYSA-N 0 1 382.416 3.644 20 5 GHBDMN CCc1cc2c(C[N@@H+](C)CCc3ccccc3[N+](=O)[O-])cc(=O)oc2cc1[O-] ZINC000796110644 913286479 /nfs/dbraw/zinc/28/64/79/913286479.db2.gz AVMAHALSUYWNNL-UHFFFAOYSA-N 0 1 382.416 3.644 20 5 GHBDMN CN(C)[C@@H](CNC(=S)Nc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000747660404 889026702 /nfs/dbraw/zinc/02/67/02/889026702.db2.gz KAVAZFSFFJTQGJ-INIZCTEOSA-N 0 1 378.885 3.838 20 5 GHBDMN CN(C)[C@@H](CNc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])c1ccco1 ZINC000916641440 889267025 /nfs/dbraw/zinc/26/70/25/889267025.db2.gz HFDZIPCUKAAQKH-LBPRGKRZSA-N 0 1 388.302 3.830 20 5 GHBDMN CCCN(CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@H]1CCc2ccccc21 ZINC000532935116 889378502 /nfs/dbraw/zinc/37/85/02/889378502.db2.gz PXICADNGJREEHW-IBGZPJMESA-N 0 1 383.448 3.941 20 5 GHBDMN CCCN(CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@@H]1CCc2ccccc21 ZINC000532935118 889378645 /nfs/dbraw/zinc/37/86/45/889378645.db2.gz PXICADNGJREEHW-LJQANCHMSA-N 0 1 383.448 3.941 20 5 GHBDMN CN1CCN(c2ccc(NCc3cc(Cl)cc(Cl)c3[N+](=O)[O-])cn2)CC1 ZINC000811471182 889655655 /nfs/dbraw/zinc/65/56/55/889655655.db2.gz IFBKLSZIRARWEJ-UHFFFAOYSA-N 0 1 396.278 3.661 20 5 GHBDMN C[C@@H](CNCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1)S(C)(=O)=O ZINC000533587593 890917665 /nfs/dbraw/zinc/91/76/65/890917665.db2.gz BGJYGIRFXSSMQC-LBPRGKRZSA-N 0 1 398.868 3.563 20 5 GHBDMN C[C@@H](N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc2c(c1)OCO2 ZINC000192465096 892501675 /nfs/dbraw/zinc/50/16/75/892501675.db2.gz JIBLBNBKWZFSFI-MNOVXSKESA-N 0 1 391.811 3.655 20 5 GHBDMN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(-c3csnn3)cc2)c1C ZINC000498009045 892981756 /nfs/dbraw/zinc/98/17/56/892981756.db2.gz MPIXGNBCOXLTLN-UHFFFAOYSA-N 0 1 390.446 3.531 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)N[C@@H](c2ccccc2)C2CC2)c1 ZINC001185154722 913722083 /nfs/dbraw/zinc/72/20/83/913722083.db2.gz MWBPOXFSWQGPTK-INIZCTEOSA-N 0 1 384.816 3.817 20 5 GHBDMN CC(C)(C)OC(=O)N1CC=C(CNCc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000778203587 893285437 /nfs/dbraw/zinc/28/54/37/893285437.db2.gz PSYZLJQSJQMWHO-UHFFFAOYSA-N 0 1 381.860 3.905 20 5 GHBDMN C[C@@H](C[C@H](O)c1ccco1)NCc1cc(Br)c([N+](=O)[O-])s1 ZINC000877128174 893498466 /nfs/dbraw/zinc/49/84/66/893498466.db2.gz DVMDGXJISZPPCW-KWQFWETISA-N 0 1 375.244 3.614 20 5 GHBDMN Cc1ccc([C@@H](C)N[C@H]2CCN(CCCc3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000536910573 894089609 /nfs/dbraw/zinc/08/96/09/894089609.db2.gz PIXYSRPVCHAQIG-XLIONFOSSA-N 0 1 381.476 3.788 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(CN2CC[C@@H](C3CCOCC3)C2)o1 ZINC000878301149 894179057 /nfs/dbraw/zinc/17/90/57/894179057.db2.gz KYQKXVNURJLJQT-CYBMUJFWSA-N 0 1 392.843 3.547 20 5 GHBDMN CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CCC[C@H](CO)CC2)cc1OC ZINC000563901489 894308409 /nfs/dbraw/zinc/30/84/09/894308409.db2.gz FQCKCZQZXZLJAZ-CVEARBPZSA-N 0 1 380.485 3.623 20 5 GHBDMN Cc1cc(NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000563959301 894373599 /nfs/dbraw/zinc/37/35/99/894373599.db2.gz GEOXKMWNRSOJEF-AWEZNQCLSA-N 0 1 389.477 3.987 20 5 GHBDMN COc1ccccc1[C@@H](C)N(C)C(=O)CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000537178690 894501625 /nfs/dbraw/zinc/50/16/25/894501625.db2.gz WPYFMAXXVMGABN-JKSUJKDBSA-N 0 1 385.464 3.782 20 5 GHBDMN CC(C)(CO)[C@H](NCc1ccc(Br)c([N+](=O)[O-])c1)c1cccnc1 ZINC000816637825 894983585 /nfs/dbraw/zinc/98/35/85/894983585.db2.gz PUSWXJWVRDBZMJ-MRXNPFEDSA-N 0 1 394.269 3.602 20 5 GHBDMN O=[N+]([O-])c1ccc(OCCN[C@@H](c2nc(Br)cs2)C2CC2)cc1 ZINC000817578075 895749019 /nfs/dbraw/zinc/74/90/19/895749019.db2.gz GMIWFEWGSXZPAP-CQSZACIVSA-N 0 1 398.282 3.934 20 5 GHBDMN O=[N+]([O-])c1ccc([C@@H](O)CNCc2cc(F)c(C(F)(F)F)cc2F)cc1 ZINC000819313128 896605141 /nfs/dbraw/zinc/60/51/41/896605141.db2.gz XUXLJRVEKVOQEW-HNNXBMFYSA-N 0 1 376.281 3.715 20 5 GHBDMN COc1ccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c2cccnc12 ZINC000129620438 896776396 /nfs/dbraw/zinc/77/63/96/896776396.db2.gz OVLQDQMNLKSOLR-UHFFFAOYSA-N 0 1 393.808 3.606 20 5 GHBDMN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)Nc1ccc2oc(CN3CCCC3)nc2c1 ZINC000820493750 897358171 /nfs/dbraw/zinc/35/81/71/897358171.db2.gz WFWYYUYQGKJFDW-YHYXMXQVSA-N 0 1 392.415 3.984 20 5 GHBDMN COc1ccc(CN[C@H]2CC3(CCOCC3)Oc3ccccc32)cc1[N+](=O)[O-] ZINC000883393599 897556535 /nfs/dbraw/zinc/55/65/35/897556535.db2.gz IJEKRESDZOHGSP-KRWDZBQOSA-N 0 1 384.432 3.766 20 5 GHBDMN Cc1[nH]nc(C(=O)N2CCC[C@@H]2c2cc(F)cc(Br)c2)c1[N+](=O)[O-] ZINC000331462560 898912880 /nfs/dbraw/zinc/91/28/80/898912880.db2.gz ASJSWXXYPJVDLE-GFCCVEGCSA-N 0 1 397.204 3.505 20 5 GHBDMN Cc1ccc(C)c([C@@H]2CN(C(=O)c3n[nH]c(C(C)C)c3[N+](=O)[O-])[C@H](C)CO2)c1 ZINC000331621065 899031835 /nfs/dbraw/zinc/03/18/35/899031835.db2.gz QFJAVYOYVMVMCR-ZBFHGGJFSA-N 0 1 386.452 3.660 20 5 GHBDMN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3nc(C4CCC4)n[nH]3)cc2[N+](=O)[O-])C1 ZINC000570012126 899071023 /nfs/dbraw/zinc/07/10/23/899071023.db2.gz FNEKHQSRTMEOBE-BETUJISGSA-N 0 1 398.467 3.715 20 5 GHBDMN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3n[nH]c(C4CCC4)n3)cc2[N+](=O)[O-])C1 ZINC000570012126 899071039 /nfs/dbraw/zinc/07/10/39/899071039.db2.gz FNEKHQSRTMEOBE-BETUJISGSA-N 0 1 398.467 3.715 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@H](c1ncccc1C)C(C)C ZINC000118841081 899481236 /nfs/dbraw/zinc/48/12/36/899481236.db2.gz HLUOOVXXPJRNAU-KBXCAEBGSA-N 0 1 386.452 3.621 20 5 GHBDMN Cn1ccnc1[C@@H](NCC[C@@]1(C)CC1(Cl)Cl)c1ccc([N+](=O)[O-])cc1 ZINC000824971484 899921253 /nfs/dbraw/zinc/92/12/53/899921253.db2.gz RVWKUJUTQMIAQH-HOCLYGCPSA-N 0 1 383.279 3.981 20 5 GHBDMN CCOc1ccc([N+](=O)[O-])cc1CNC[C@H](O)c1ccccc1Br ZINC000825338782 900103222 /nfs/dbraw/zinc/10/32/22/900103222.db2.gz UPYWYJKAOFFMLW-INIZCTEOSA-N 0 1 395.253 3.579 20 5 GHBDMN O=[N+]([O-])c1ccc2oc(CN3CCC[C@H]3C[C@@H](O)c3ccc(F)cc3)nc2c1 ZINC000134807293 900124638 /nfs/dbraw/zinc/12/46/38/900124638.db2.gz JOBOSUZEOBKGIW-MAUKXSAKSA-N 0 1 385.395 3.963 20 5 GHBDMN Cc1nc(C2CCN(c3ncc([N+](=O)[O-])c(C)c3Br)CC2)[nH]c1C ZINC000884706845 900241056 /nfs/dbraw/zinc/24/10/56/900241056.db2.gz PYNKMVQVTCYBIA-UHFFFAOYSA-N 0 1 394.273 3.785 20 5 GHBDMN O=[N+]([O-])c1cc(I)cc(CN[C@H]2CCCc3occc32)c1 ZINC000574203601 900817595 /nfs/dbraw/zinc/81/75/95/900817595.db2.gz VXFVFJCDGMAHEO-AWEZNQCLSA-N 0 1 398.200 3.960 20 5 GHBDMN O=[N+]([O-])c1cccc([C@H](NCc2cccc(-c3nn[nH]n3)c2)c2ccccc2)c1 ZINC000826499325 901299312 /nfs/dbraw/zinc/29/93/12/901299312.db2.gz DXCHZUSBMLELAV-HXUWFJFHSA-N 0 1 386.415 3.654 20 5 GHBDMN Cc1ccnc([C@@H]2CCN([C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)c1 ZINC000576595558 902116875 /nfs/dbraw/zinc/11/68/75/902116875.db2.gz NJUHIPBJRIGNDD-GDBMZVCRSA-N 0 1 379.420 3.899 20 5 GHBDMN Cc1nc(CC(C)C)c(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)s1 ZINC000576654923 902162536 /nfs/dbraw/zinc/16/25/36/902162536.db2.gz ZGRPJZMPMCTPGM-UHFFFAOYSA-N 0 1 383.495 3.976 20 5 GHBDMN CC(C)(C)N1CC[C@H]1COC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000845733421 902354278 /nfs/dbraw/zinc/35/42/78/902354278.db2.gz APTQMCJRUUFPGK-AWEZNQCLSA-N 0 1 375.450 3.748 20 5 GHBDMN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1CCc2c(Cl)cccc2C1 ZINC001147367406 903770485 /nfs/dbraw/zinc/77/04/85/903770485.db2.gz MVMDPMZBYPPNCV-UHFFFAOYSA-N 0 1 382.807 3.837 20 5 GHBDMN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1CC[C@H](Cc2ccccc2)C1 ZINC001147850944 903891671 /nfs/dbraw/zinc/89/16/71/903891671.db2.gz YVPZERQFVZQPLD-MRXNPFEDSA-N 0 1 376.416 3.690 20 5 GHBDMN C[C@@H](CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)N1CCCC[C@@H]1C ZINC000578951298 904248497 /nfs/dbraw/zinc/24/84/97/904248497.db2.gz NQLFXINWEATTAB-HOTGVXAUSA-N 0 1 377.488 3.674 20 5 GHBDMN CC(C)OC[C@@H](CO)N(C)Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000579052336 904317647 /nfs/dbraw/zinc/31/76/47/904317647.db2.gz FCTZMYAFDJTTKP-QGZVFWFLSA-N 0 1 392.427 3.744 20 5 GHBDMN CC[C@@H](NCc1cccc(NC(=O)[C@H]2CCCO2)c1)c1cccc([N+](=O)[O-])c1 ZINC000153421179 904361598 /nfs/dbraw/zinc/36/15/98/904361598.db2.gz FOONXSGIUROMEX-WOJBJXKFSA-N 0 1 383.448 3.953 20 5 GHBDMN CNC(=O)C1(NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCCC1 ZINC000779176906 905123748 /nfs/dbraw/zinc/12/37/48/905123748.db2.gz UFZHEGUXHLXILH-UHFFFAOYSA-N 0 1 377.828 3.657 20 5 GHBDMN CC(C)(C)OC(=O)NCC[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000801555258 921128256 /nfs/dbraw/zinc/12/82/56/921128256.db2.gz IPZBWSKDDZUMIO-AWEZNQCLSA-N 0 1 381.448 3.861 20 5 GHBDMN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC(n2c3ccccc3n(C)c2=O)CC1 ZINC001173226788 906308685 /nfs/dbraw/zinc/30/86/85/906308685.db2.gz LIVPFVCKBDNEDK-INIZCTEOSA-N 0 1 394.475 3.516 20 5 GHBDMN COc1cccc([C@@H](CNC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)N(C)C)c1 ZINC000191320414 906871091 /nfs/dbraw/zinc/87/10/91/906871091.db2.gz FZHQXKMGOYCWPC-LJQANCHMSA-N 0 1 386.452 3.645 20 5 GHBDMN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(Cc3ccc(C)cc3)C2)c1 ZINC001174833982 907229066 /nfs/dbraw/zinc/22/90/66/907229066.db2.gz ZEEGZAPIFATLPT-MRXNPFEDSA-N 0 1 385.489 3.629 20 5 GHBDMN Cc1c([C@@H](C)Nc2cccc(CN3CCC[C@@H]3C(N)=O)c2)cccc1[N+](=O)[O-] ZINC000183006399 907311022 /nfs/dbraw/zinc/31/10/22/907311022.db2.gz VZWCDXOSVLMSHS-FOIQADDNSA-N 0 1 382.464 3.526 20 5 GHBDMN CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC001175576517 907642715 /nfs/dbraw/zinc/64/27/15/907642715.db2.gz DWXYVISOZXQBRE-YOEHRIQHSA-N 0 1 391.468 3.522 20 5 GHBDMN Cc1nc(C2C[C@H]3CC[C@@H](C2)N3Cc2cc([N+](=O)[O-])ccc2OC(C)C)no1 ZINC001175642804 907655821 /nfs/dbraw/zinc/65/58/21/907655821.db2.gz AQDXCKMZGYEOQP-ZXFUBFMLSA-N 0 1 386.452 3.984 20 5 GHBDMN COc1cc2c(cc1OC)C1(CCC1)N(CCOc1ccc([N+](=O)[O-])cc1)CC2 ZINC001176193693 907969319 /nfs/dbraw/zinc/96/93/19/907969319.db2.gz UQWXYPCUVOYGEI-UHFFFAOYSA-N 0 1 398.459 3.928 20 5 GHBDMN Cc1c(CN[C@@](C)(CO)c2cccc(Br)c2)cccc1[N+](=O)[O-] ZINC001176819904 908266242 /nfs/dbraw/zinc/26/62/42/908266242.db2.gz PYRMNGFWTFZZTK-KRWDZBQOSA-N 0 1 379.254 3.663 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2ccc(CNCc3ccnc(-n4ccnc4)c3)o2)c1 ZINC000777453701 908388576 /nfs/dbraw/zinc/38/85/76/908388576.db2.gz BZUNTRVSSODJSD-UHFFFAOYSA-N 0 1 375.388 3.725 20 5 GHBDMN O=[N+]([O-])c1ccc(CNC[C@@H](O)c2cccc(Br)c2)c(Cl)c1 ZINC000801734805 921437158 /nfs/dbraw/zinc/43/71/58/921437158.db2.gz JTJGWPFMJKOMTN-OAHLLOKOSA-N 0 1 385.645 3.834 20 5 GHBDMN COc1cc(CNc2ccc3nc(-c4ccccn4)[nH]c3c2)c([N+](=O)[O-])cc1O ZINC001178901315 909303860 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20 5 GHBDMN Cc1[nH]nc(C(=O)N2CCC(c3ccc(C(F)(F)F)cc3)CC2)c1[N+](=O)[O-] ZINC000271555104 910956215 /nfs/dbraw/zinc/95/62/15/910956215.db2.gz ZMGWMRXPRSEEGU-UHFFFAOYSA-N 0 1 382.342 3.665 20 5 GHBDMN CC(C)Cc1ccc(Br)cc1-c1noc(-c2[nH]cnc2[N+](=O)[O-])n1 ZINC001212892958 911364130 /nfs/dbraw/zinc/36/41/30/911364130.db2.gz FVPSKFNCANUQRI-UHFFFAOYSA-N 0 1 392.213 3.996 20 5 GHBDMN CCCNC(=O)c1ccc(NCc2cc(OC)c(O)c([N+](=O)[O-])c2)cc1Cl ZINC000284294540 911815672 /nfs/dbraw/zinc/81/56/72/911815672.db2.gz RGFAVSRYHOWYTC-UHFFFAOYSA-N 0 1 393.827 3.714 20 5 GHBDMN Cc1ccc2c(oc3c(CC(=O)Nc4cccnc4CN)cccc3c2=O)c1C ZINC001182516607 911828375 /nfs/dbraw/zinc/82/83/75/911828375.db2.gz OCFLQYXWBLIDFK-UHFFFAOYSA-N 0 1 387.439 3.598 20 5 GHBDMN CN(C)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)c1cccs1 ZINC000292580116 915750290 /nfs/dbraw/zinc/75/02/90/915750290.db2.gz FWAUTGOIOWFUDY-CYBMUJFWSA-N 0 1 387.383 3.708 20 5 GHBDMN COc1ccc(CN[C@H](C)c2ccc(N3CCCOC3=O)cc2)cc1[N+](=O)[O-] ZINC000292589472 915756315 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O=C(CCc1cc(F)ccc1[N+](=O)[O-])Nc1nc(-c2ccccc2Cl)n[nH]1 ZINC001357372029 1067069158 /nfs/dbraw/zinc/06/91/58/1067069158.db2.gz HHHNYJUPOLNAGX-UHFFFAOYSA-N 0 1 389.774 3.744 20 5 GHBDMN Cc1ccc([C@H](CNC(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)N2CCCC2)o1 ZINC001468469288 1067742646 /nfs/dbraw/zinc/74/26/46/1067742646.db2.gz BLUVXVKVNLQSLX-QAPCUYQASA-N 0 1 386.452 3.694 20 5 GHBDMN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001460754351 1069158066 /nfs/dbraw/zinc/15/80/66/1069158066.db2.gz DJPYYKHZZHPXRX-CQSZACIVSA-N 0 1 393.447 3.687 20 5 GHBDMN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N1CCc2nc[nH]c2[C@@H]1c1ccccc1 ZINC001471036537 1072896949 /nfs/dbraw/zinc/89/69/49/1072896949.db2.gz UWWWAAWZVKKDCB-FQEVSTJZSA-N 0 1 396.834 3.688 20 5 GHBDMN CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CCC([C@H](C)CO)CC2)cc1OC ZINC001473619958 1074052011 /nfs/dbraw/zinc/05/20/11/1074052011.db2.gz STAVKLLEHMEPFD-HZPDHXFCSA-N 0 1 394.512 3.869 20 5 GHBDMN CC(C)c1cc([C@H]2CCCN([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)[nH]n1 ZINC001473773636 1074135804 /nfs/dbraw/zinc/13/58/04/1074135804.db2.gz XEGUVPITEKVYEV-CABCVRRESA-N 0 1 385.468 3.648 20 5 GHBDMN CC(C)n1ncc2cc(CNCCOc3ccc([N+](=O)[O-])cc3)c(Cl)nc21 ZINC001473981886 1074225593 /nfs/dbraw/zinc/22/55/93/1074225593.db2.gz SAQCHYQLQZRQFH-UHFFFAOYSA-N 0 1 389.843 3.742 20 5 GHBDMN CCCCNC(=O)[C@H]1CCCN(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001474369338 1074368127 /nfs/dbraw/zinc/36/81/27/1074368127.db2.gz GOKBZXHCTYIETF-AWEZNQCLSA-N 0 1 387.402 3.742 20 5 GHBDMN COC(=O)c1cnc([C@H]2CCN(C/C(C)=C/c3cccc([N+](=O)[O-])c3)C2)s1 ZINC001474730752 1074536805 /nfs/dbraw/zinc/53/68/05/1074536805.db2.gz AQVIWWVPUTVFRP-NRUITVPNSA-N 0 1 387.461 3.731 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NC[C@@]12C[C@@H]1CCCC2 ZINC001475679688 1074998822 /nfs/dbraw/zinc/99/88/22/1074998822.db2.gz SSEMKDQFSZPMOB-LKFCYVNXSA-N 0 1 379.265 3.760 20 5 GHBDMN C[C@@H](C[N@H+](Cc1ccccc1)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)C(=O)[O-] ZINC000736583910 601088686 /nfs/dbraw/zinc/08/86/86/601088686.db2.gz NCHHSGVBKQBNDI-INIZCTEOSA-N 0 1 394.431 3.639 20 5 GHBDMN Cc1cc(NC[C@@H](C)[N@H+]2CCc3sccc3C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000522003284 602313294 /nfs/dbraw/zinc/31/32/94/602313294.db2.gz FXHAHYBNMZAJSF-GFCCVEGCSA-N 0 1 375.450 3.522 20 5 GHBDMN CC(C)OC[C@H](C(=O)[O-])[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000833505771 604768594 /nfs/dbraw/zinc/76/85/94/604768594.db2.gz NVOAYZSFMILSLM-MRXNPFEDSA-N 0 1 378.450 3.633 20 5 GHBDMN CC(C)OC[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000833505771 604768596 /nfs/dbraw/zinc/76/85/96/604768596.db2.gz NVOAYZSFMILSLM-MRXNPFEDSA-N 0 1 378.450 3.633 20 5 GHBDMN CCOc1ccc([C@H](C)NC2(c3cccc(-c4nn[nH]n4)c3)CC2)cc1[N+](=O)[O-] ZINC000825632568 609250603 /nfs/dbraw/zinc/25/06/03/609250603.db2.gz WYULNUWGAILLQJ-ZDUSSCGKSA-N 0 1 394.435 3.514 20 5 GHBDMN Cc1ccc([C@@H](C)NC(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)cc1[N+](=O)[O-] ZINC000163238985 834706417 /nfs/dbraw/zinc/70/64/17/834706417.db2.gz HYTNDSNTZHEFNS-CJNGLKHVSA-N 0 1 398.467 3.549 20 5 GHBDMN COc1ccc(S(=O)(=O)Nc2ccccc2SC(C)C)cc1[N+](=O)[O-] ZINC000471137726 834918226 /nfs/dbraw/zinc/91/82/26/834918226.db2.gz VPJPVVRZBSAIPT-UHFFFAOYSA-N 0 1 382.463 3.905 20 5 GHBDMN CCN(CC)[C@@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccccc1Cl ZINC000610221157 835234767 /nfs/dbraw/zinc/23/47/67/835234767.db2.gz GMFGXIUBWMZZRY-IBGZPJMESA-N 0 1 389.883 3.990 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2noc(CN3CCC[C@H]3Cc3cccc(F)c3)n2)c1 ZINC000052012072 844034822 /nfs/dbraw/zinc/03/48/22/844034822.db2.gz ZOMXXVLSGIXPRX-KRWDZBQOSA-N 0 1 382.395 3.991 20 5 GHBDMN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](c1ccsc1)N(C)C ZINC000509326371 835288090 /nfs/dbraw/zinc/28/80/90/835288090.db2.gz GMIXXBIOOOIDDM-GOSISDBHSA-N 0 1 390.509 3.879 20 5 GHBDMN CC[C@@H](N[C@@H]1CC(=O)N(c2c(F)cccc2F)C1)c1cccc([N+](=O)[O-])c1 ZINC000536170513 835305170 /nfs/dbraw/zinc/30/51/70/835305170.db2.gz KOEJBBSITFQRJE-CXAGYDPISA-N 0 1 375.375 3.719 20 5 GHBDMN CCN(CC)Cc1ccc(C(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)o1 ZINC000610233915 835544526 /nfs/dbraw/zinc/54/45/26/835544526.db2.gz JMONIGOIEBZXCC-LJQANCHMSA-N 0 1 389.477 3.917 20 5 GHBDMN Cc1cc(C(=O)N2CCC(c3nnc(-c4ccccc4)[nH]3)CC2)cc([N+](=O)[O-])c1 ZINC000608891158 835712172 /nfs/dbraw/zinc/71/21/72/835712172.db2.gz XVTBKXYGARFLHX-UHFFFAOYSA-N 0 1 391.431 3.708 20 5 GHBDMN COc1ccccc1[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(C)c1)N1CCCCC1 ZINC000059782566 835782793 /nfs/dbraw/zinc/78/27/93/835782793.db2.gz RJKFFOMCKUXTCM-HXUWFJFHSA-N 0 1 397.475 3.869 20 5 GHBDMN CCN(CC)[C@H](CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000179562993 835877315 /nfs/dbraw/zinc/87/73/15/835877315.db2.gz FIMMGLJBVXSBGN-OAHLLOKOSA-N 0 1 397.522 3.555 20 5 GHBDMN C[C@@H](N[C@H](C)c1cccc(OC(F)F)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000179588940 835887229 /nfs/dbraw/zinc/88/72/29/835887229.db2.gz UEOQSALSPZXUHR-VXGBXAGGSA-N 0 1 379.363 3.874 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H](C)c1ccc(OC(F)F)cc1 ZINC000179606890 835890132 /nfs/dbraw/zinc/89/01/32/835890132.db2.gz XBDNWRODMVGUOQ-LBPRGKRZSA-N 0 1 379.363 3.794 20 5 GHBDMN CCOc1ccccc1[C@H](CC)NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000179742693 835959422 /nfs/dbraw/zinc/95/94/22/835959422.db2.gz VDBUEWSETNCHLB-SFHVURJKSA-N 0 1 383.448 3.624 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)[C@@H](C)c1cc(F)ccc1F ZINC000411172154 836077316 /nfs/dbraw/zinc/07/73/16/836077316.db2.gz KQTKDLXQSVDOLE-LBPRGKRZSA-N 0 1 393.390 3.903 20 5 GHBDMN COc1ccc(-c2ccc(C)c(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)c2)cn1 ZINC000548923324 836118892 /nfs/dbraw/zinc/11/88/92/836118892.db2.gz ATTBHFHEEJTQMU-UHFFFAOYSA-N 0 1 379.372 3.932 20 5 GHBDMN COc1ccc(CN2CCCN(C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)CC2)cc1 ZINC000043148079 836281114 /nfs/dbraw/zinc/28/11/14/836281114.db2.gz DMTDWHYWMJVRLZ-UHFFFAOYSA-N 0 1 398.463 3.652 20 5 GHBDMN Cc1ccc([C@H](C)N[C@H](C)C(=O)N[C@H]2CCOc3ccccc32)cc1[N+](=O)[O-] ZINC000247005154 836551573 /nfs/dbraw/zinc/55/15/73/836551573.db2.gz KZEDTBGGEJPHGZ-DAYGRLMNSA-N 0 1 383.448 3.582 20 5 GHBDMN CCOc1cc(N2CCN(C[C@@H](OC)c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000549034852 836554529 /nfs/dbraw/zinc/55/45/29/836554529.db2.gz OJFKYIBOGZWJKF-OAQYLSRUSA-N 0 1 385.464 3.503 20 5 GHBDMN C[C@@H](NS(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccccc1Oc1ccccc1 ZINC000610262450 836918699 /nfs/dbraw/zinc/91/86/99/836918699.db2.gz FBZRSPOXTVATAX-CQSZACIVSA-N 0 1 399.428 3.822 20 5 GHBDMN CCOc1ccc([C@H](C)N[C@H]2CCN(c3ccc(F)cc3)C2=O)cc1[N+](=O)[O-] ZINC000414303791 836988397 /nfs/dbraw/zinc/98/83/97/836988397.db2.gz CDYADEXSPUDKKF-GUYCJALGSA-N 0 1 387.411 3.589 20 5 GHBDMN CC[C@H](N[C@H](C)CS(=O)(=O)c1ccc(C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000120147075 837008446 /nfs/dbraw/zinc/00/84/46/837008446.db2.gz WOKFADUOVQNAQS-BEFAXECRSA-N 0 1 376.478 3.806 20 5 GHBDMN CN(C)Cc1ccc(CNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cc1F ZINC000133851739 837027774 /nfs/dbraw/zinc/02/77/74/837027774.db2.gz FMXJKBDYEUVKRF-UHFFFAOYSA-N 0 1 388.443 3.530 20 5 GHBDMN COCC[C@@H](C)N[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000101583154 837965105 /nfs/dbraw/zinc/96/51/05/837965105.db2.gz MYZMKQUVFISSTH-FZKQIMNGSA-N 0 1 391.855 3.943 20 5 GHBDMN CCCCc1nc2ccc(NC(=O)CCn3nc(C)c([N+](=O)[O-])c3C)cc2[nH]1 ZINC000102240315 838085626 /nfs/dbraw/zinc/08/56/26/838085626.db2.gz BAIOOJOOPFJFBO-UHFFFAOYSA-N 0 1 384.440 3.656 20 5 GHBDMN CC[C@](C)(O)CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1C)Cc1ccccc1 ZINC000189731401 838390294 /nfs/dbraw/zinc/39/02/94/838390294.db2.gz FRAIUAPTJZBCSV-NRFANRHFSA-N 0 1 385.464 3.505 20 5 GHBDMN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000175894292 838874223 /nfs/dbraw/zinc/87/42/23/838874223.db2.gz FIOOICLDZOIZSZ-HNNXBMFYSA-N 0 1 387.867 3.985 20 5 GHBDMN O=[N+]([O-])c1ccc(NCc2nc(-c3ccc(F)cc3)n[nH]2)cc1OC(F)F ZINC000610410873 839179769 /nfs/dbraw/zinc/17/97/69/839179769.db2.gz NBZDYUCKKAMAQM-UHFFFAOYSA-N 0 1 379.298 3.733 20 5 GHBDMN O=[N+]([O-])c1ccc(NCc2n[nH]c(-c3ccc(F)cc3)n2)cc1OC(F)F ZINC000610410873 839179775 /nfs/dbraw/zinc/17/97/75/839179775.db2.gz NBZDYUCKKAMAQM-UHFFFAOYSA-N 0 1 379.298 3.733 20 5 GHBDMN CCc1ccc(C(=O)N2CCCN(Cc3ccccc3C)CC2)cc1[N+](=O)[O-] ZINC000610436191 839383122 /nfs/dbraw/zinc/38/31/22/839383122.db2.gz VZLPEEMZTQZEOV-UHFFFAOYSA-N 0 1 381.476 3.814 20 5 GHBDMN CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NC[C@H](c1ccsc1)N(C)C ZINC000610128764 839622854 /nfs/dbraw/zinc/62/28/54/839622854.db2.gz GJKHSWVKBABNRZ-OAHLLOKOSA-N 0 1 381.429 3.687 20 5 GHBDMN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2-n2cccn2)cc1[N+](=O)[O-] ZINC000471584809 839682836 /nfs/dbraw/zinc/68/28/36/839682836.db2.gz HUPRGUCAQJIZPN-UHFFFAOYSA-N 0 1 392.824 3.543 20 5 GHBDMN CCc1ccc(C(=O)NC[C@H](c2ccccc2OC)N2CCCC2)cc1[N+](=O)[O-] ZINC000471606642 839962528 /nfs/dbraw/zinc/96/25/28/839962528.db2.gz OWSOJNOXYHEFFL-HXUWFJFHSA-N 0 1 397.475 3.733 20 5 GHBDMN O=[N+]([O-])c1cnc2ccc(Br)cc2c1N1CCN(C2CCC2)CC1 ZINC000500428365 840481132 /nfs/dbraw/zinc/48/11/32/840481132.db2.gz AYEKJAFBZVAAJH-UHFFFAOYSA-N 0 1 391.269 3.580 20 5 GHBDMN CC[C@H](CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000429837607 844560947 /nfs/dbraw/zinc/56/09/47/844560947.db2.gz LTBHQUHAYAPRFY-LJQANCHMSA-N 0 1 395.503 3.826 20 5 GHBDMN C[C@@H](NCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C(=O)NCCF ZINC000500432112 840806402 /nfs/dbraw/zinc/80/64/02/840806402.db2.gz XWLDBAUHMWIBQG-GFCCVEGCSA-N 0 1 395.818 3.604 20 5 GHBDMN Cc1c([C@@H](C)NCCS(=O)(=O)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000177969487 841027888 /nfs/dbraw/zinc/02/78/88/841027888.db2.gz SFAJCJZYTLHPMC-CYBMUJFWSA-N 0 1 382.869 3.681 20 5 GHBDMN CCC[C@@H](C)NC(=O)[C@@H]1CCCN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)C1 ZINC000302153434 861221775 /nfs/dbraw/zinc/22/17/75/861221775.db2.gz IFRVYXLIMZMLOO-GDBMZVCRSA-N 0 1 384.480 3.973 20 5 GHBDMN CCN(CC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@H](C)Cc1ccc(OC)cc1 ZINC000066885358 841740332 /nfs/dbraw/zinc/74/03/32/841740332.db2.gz RONIKLZCGQAJEH-MRXNPFEDSA-N 0 1 385.464 3.803 20 5 GHBDMN CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000584550757 841760251 /nfs/dbraw/zinc/76/02/51/841760251.db2.gz DXDZOTWOQJQMTA-HZPDHXFCSA-N 0 1 389.496 3.513 20 5 GHBDMN Cc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)c(Br)c1 ZINC000045712576 841768943 /nfs/dbraw/zinc/76/89/43/841768943.db2.gz NWJNJVLICNBTFJ-UHFFFAOYSA-N 0 1 385.239 3.775 20 5 GHBDMN C[C@@H](OC[C@H](O)CN(C)Cc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000046836076 841879766 /nfs/dbraw/zinc/87/97/66/841879766.db2.gz PEYBCYNZSHCAAE-RDTXWAMCSA-N 0 1 378.856 3.819 20 5 GHBDMN Cc1ccc([C@@H](C)NC(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)cc1[N+](=O)[O-] ZINC000175926420 842108252 /nfs/dbraw/zinc/10/82/52/842108252.db2.gz IBWQZOIKKYEJHC-KUHUBIRLSA-N 0 1 388.443 3.705 20 5 GHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(COCc3ccco3)c2)cc1 ZINC000055633144 861274611 /nfs/dbraw/zinc/27/46/11/861274611.db2.gz LTNKROIOEGNHKR-UHFFFAOYSA-N 0 1 388.401 3.705 20 5 GHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000432349072 842131585 /nfs/dbraw/zinc/13/15/85/842131585.db2.gz URZKAYQURHFEHE-INIZCTEOSA-N 0 1 378.837 3.884 20 5 GHBDMN COc1cccc(C[C@H]2CCCN2Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)c1 ZINC000603867964 861299219 /nfs/dbraw/zinc/29/92/19/861299219.db2.gz HAEHAINSZLEFNC-QGZVFWFLSA-N 0 1 394.431 3.861 20 5 GHBDMN Cc1cc2[nH]ncc2cc1Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000302654659 861315865 /nfs/dbraw/zinc/31/58/65/861315865.db2.gz CRBYANZWXMVIER-UHFFFAOYSA-N 0 1 382.348 3.519 20 5 GHBDMN Cn1cc(C[C@@H]2CCN(Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C2)cn1 ZINC000093869923 842810627 /nfs/dbraw/zinc/81/06/27/842810627.db2.gz DPQOMVFEKFBQBE-AWEZNQCLSA-N 0 1 383.477 3.516 20 5 GHBDMN C[C@@H](N[C@@H](C)c1ccc(NC(=O)C2CC2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000028348410 861352183 /nfs/dbraw/zinc/35/21/83/861352183.db2.gz GTRWJKLXXGVRGC-UONOGXRCSA-N 0 1 396.447 3.621 20 5 GHBDMN C[C@H]1COCCN1C1CCN(C(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000647763589 843273182 /nfs/dbraw/zinc/27/31/82/843273182.db2.gz FKOCAPUMWHMHQH-KRWDZBQOSA-N 0 1 389.499 3.713 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)c1[N+](=O)[O-] ZINC000610918100 844855019 /nfs/dbraw/zinc/85/50/19/844855019.db2.gz MLUJYIYNVLSAOM-LBPRGKRZSA-N 0 1 383.408 3.602 20 5 GHBDMN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 ZINC000151158085 844999602 /nfs/dbraw/zinc/99/96/02/844999602.db2.gz ULDLWORQSFMCTC-MRXNPFEDSA-N 0 1 399.447 3.562 20 5 GHBDMN COc1ccccc1[C@H](CNC(=O)c1ccc(C)c([N+](=O)[O-])c1)N1CCCCC1 ZINC000603993839 861565248 /nfs/dbraw/zinc/56/52/48/861565248.db2.gz ATOVDFVSONXMBB-FQEVSTJZSA-N 0 1 397.475 3.869 20 5 GHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H](CC(F)(F)F)c2ccccc2)s1 ZINC000512775388 845488288 /nfs/dbraw/zinc/48/82/88/845488288.db2.gz UWOGDVZLYGYVAE-SNVBAGLBSA-N 0 1 380.369 3.628 20 5 GHBDMN CN(C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(Cl)cc1 ZINC000531067507 845820393 /nfs/dbraw/zinc/82/03/93/845820393.db2.gz HYLZHSCVAOEINO-INIZCTEOSA-N 0 1 382.247 3.934 20 5 GHBDMN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000421747758 846541316 /nfs/dbraw/zinc/54/13/16/846541316.db2.gz CLDKYEKMMCBDHT-UHFFFAOYSA-N 0 1 385.439 3.745 20 5 GHBDMN CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccc(F)cc1)N(C)C ZINC000137056814 846801103 /nfs/dbraw/zinc/80/11/03/846801103.db2.gz YUAFFVWHEACKON-QGZVFWFLSA-N 0 1 391.468 3.879 20 5 GHBDMN C[C@@H]1CN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)[C@H](C)CN1Cc1ccccc1 ZINC000501592653 847046138 /nfs/dbraw/zinc/04/61/38/847046138.db2.gz LIKLQJWJLCFGQY-HZPDHXFCSA-N 0 1 392.459 3.811 20 5 GHBDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)Nc2ccc([N+](=O)[O-])c3ccncc23)n[nH]1 ZINC000599834826 861767119 /nfs/dbraw/zinc/76/71/19/861767119.db2.gz ITENENPSQNAWAD-WDEREUQCSA-N 0 1 383.412 3.657 20 5 GHBDMN CC(C)(O)CCN[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000478919833 847341197 /nfs/dbraw/zinc/34/11/97/847341197.db2.gz OOFOEKUVQJZSRJ-QGZVFWFLSA-N 0 1 391.855 3.679 20 5 GHBDMN C[C@H]1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000502079733 847447213 /nfs/dbraw/zinc/44/72/13/847447213.db2.gz RZSLFLGSCFTGMY-HNNXBMFYSA-N 0 1 387.867 3.985 20 5 GHBDMN CCO[C@@H]1C[C@@H](N(C)C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C12CCCCC2 ZINC000303857096 861874870 /nfs/dbraw/zinc/87/48/70/861874870.db2.gz FUFMTHIOVJEGQT-IAGOWNOFSA-N 0 1 386.452 3.671 20 5 GHBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCC[C@H](CCO)C2)cc1OC ZINC000611660876 848198997 /nfs/dbraw/zinc/19/89/97/848198997.db2.gz QRTBPJFNXSFXDH-JKSUJKDBSA-N 0 1 380.485 3.623 20 5 GHBDMN COc1ccc(-c2n[nH]c(Sc3ncc(Cl)cc3[N+](=O)[O-])n2)c(OC)c1 ZINC000434956409 849943494 /nfs/dbraw/zinc/94/34/94/849943494.db2.gz XDAZHSODQWZILJ-UHFFFAOYSA-N 0 1 393.812 3.597 20 5 GHBDMN COc1ccc(CNCc2ccccc2OCc2ccncc2)cc1[N+](=O)[O-] ZINC000518776516 850081338 /nfs/dbraw/zinc/08/13/38/850081338.db2.gz AOVMBEQVRCRFAB-UHFFFAOYSA-N 0 1 379.416 3.867 20 5 GHBDMN CC[C@@H](N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(OC)c(OC)c1 ZINC000506639090 850231783 /nfs/dbraw/zinc/23/17/83/850231783.db2.gz HFCFPSJXPJKFPT-SUMWQHHRSA-N 0 1 387.436 3.680 20 5 GHBDMN CN(C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cccc(F)c1 ZINC000437952421 850338247 /nfs/dbraw/zinc/33/82/47/850338247.db2.gz JOWBAFGYPPEXAT-INIZCTEOSA-N 0 1 399.344 3.785 20 5 GHBDMN COc1ccc(CC2CCN(C(=O)c3[nH]nc4ccc([N+](=O)[O-])cc43)CC2)cc1 ZINC000504904292 850436317 /nfs/dbraw/zinc/43/63/17/850436317.db2.gz WATOOFFZPSVAIZ-UHFFFAOYSA-N 0 1 394.431 3.575 20 5 GHBDMN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000439907448 850556717 /nfs/dbraw/zinc/55/67/17/850556717.db2.gz AYXXRTGLQSUPLS-KRWDZBQOSA-N 0 1 390.415 3.557 20 5 GHBDMN COc1ccc([C@@H](CNC(=O)c2cccc(C)c2[N+](=O)[O-])N2CCCCC2)cc1 ZINC000027667071 850634010 /nfs/dbraw/zinc/63/40/10/850634010.db2.gz QXRDVRIPDVUXGT-HXUWFJFHSA-N 0 1 397.475 3.869 20 5 GHBDMN Cc1ccc([C@H](C)NC(=O)c2ccc(Nc3ccncc3)cc2)cc1[N+](=O)[O-] ZINC000488038163 851097868 /nfs/dbraw/zinc/09/78/68/851097868.db2.gz YMWVZXWFVFKOOK-HNNXBMFYSA-N 0 1 376.416 3.955 20 5 GHBDMN CCCCOc1ccc([C@@H](C)NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1OC ZINC000505786659 851416657 /nfs/dbraw/zinc/41/66/57/851416657.db2.gz DMFWVOGCLUSOHE-CYBMUJFWSA-N 0 1 388.420 3.979 20 5 GHBDMN CCc1[nH]nc(C(=O)N(CC)CCc2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-] ZINC000425158987 851547433 /nfs/dbraw/zinc/54/74/33/851547433.db2.gz KEFXKJBRJCGSIO-UHFFFAOYSA-N 0 1 384.358 3.604 20 5 GHBDMN CNc1ccc(C(=O)Nc2ccccc2-c2nnc(C(C)C)[nH]2)cc1[N+](=O)[O-] ZINC000517479789 852023795 /nfs/dbraw/zinc/02/37/95/852023795.db2.gz YJPVUEXVYJSYTB-UHFFFAOYSA-N 0 1 380.408 3.797 20 5 GHBDMN CN(CCCOc1cccc(Cl)c1)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000515999486 852055434 /nfs/dbraw/zinc/05/54/34/852055434.db2.gz YLZNMJKNNUOEID-UHFFFAOYSA-N 0 1 388.811 3.666 20 5 GHBDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n[nH]1 ZINC000489175998 852086875 /nfs/dbraw/zinc/08/68/75/852086875.db2.gz JMPWBQBJVPEMRG-RKDXNWHRSA-N 0 1 385.346 3.736 20 5 GHBDMN CN(CCOc1ccccc1[N+](=O)[O-])[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000517626248 852168242 /nfs/dbraw/zinc/16/82/42/852168242.db2.gz YKXTZOAFIDOTHA-FUHWJXTLSA-N 0 1 397.258 3.871 20 5 GHBDMN Cc1ccc([C@@H](C)NC(=O)NCCN(C)Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000489441580 852323034 /nfs/dbraw/zinc/32/30/34/852323034.db2.gz TWSTVTCNRQTQPZ-OAHLLOKOSA-N 0 1 388.443 3.535 20 5 GHBDMN O=C(NCc1cnc[nH]1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl ZINC000489607719 852482766 /nfs/dbraw/zinc/48/27/66/852482766.db2.gz VUMIMNGPYKULIG-UHFFFAOYSA-N 0 1 385.811 3.513 20 5 GHBDMN O=C(Nc1ccc2cccc(Br)c2n1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000507305808 852781372 /nfs/dbraw/zinc/78/13/72/852781372.db2.gz WAUMZNHVJWZKFU-UHFFFAOYSA-N 0 1 388.177 3.863 20 5 GHBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1cc2c(s1)CCCCC2 ZINC000490361859 852962600 /nfs/dbraw/zinc/96/26/00/852962600.db2.gz GCWCWUJDGUQAJB-UHFFFAOYSA-N 0 1 383.433 3.963 20 5 GHBDMN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc(C[NH+](C)C)c(Cl)c2)c1C ZINC000481866952 862429577 /nfs/dbraw/zinc/42/95/77/862429577.db2.gz OQYRDXJIXPHIRU-UHFFFAOYSA-N 0 1 397.884 3.727 20 5 GHBDMN O=[N+]([O-])c1ccc(CN(C[C@H](O)COc2ccc(Cl)cc2)C2CC2)cc1 ZINC000490805448 853268354 /nfs/dbraw/zinc/26/83/54/853268354.db2.gz YDYWVVHIONZENR-SFHVURJKSA-N 0 1 376.840 3.653 20 5 GHBDMN O=C(Cc1cccc([N+](=O)[O-])c1)Nc1nc(-c2cccc(C(F)(F)F)c2)n[nH]1 ZINC000439189755 853393048 /nfs/dbraw/zinc/39/30/48/853393048.db2.gz PLLZOBFJSZQQLW-UHFFFAOYSA-N 0 1 391.309 3.580 20 5 GHBDMN COC(=O)COc1ccc(CN[C@@H](C)c2ccccc2SC)cc1[N+](=O)[O-] ZINC000441341422 854133827 /nfs/dbraw/zinc/13/38/27/854133827.db2.gz UJJZRIOEFMSCGS-ZDUSSCGKSA-N 0 1 390.461 3.719 20 5 GHBDMN CN(Cc1ccccc1Br)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000045285659 854463731 /nfs/dbraw/zinc/46/37/31/854463731.db2.gz PHDQJUDAVIZNMZ-UHFFFAOYSA-N 0 1 389.209 3.506 20 5 GHBDMN COc1cccc([C@@H]2[C@H](NC(=O)c3cc(C)ccc3[N+](=O)[O-])CCN2C2CC2)c1 ZINC000482021281 862615035 /nfs/dbraw/zinc/61/50/35/862615035.db2.gz SMGKLMFBVZKNGR-TZIWHRDSSA-N 0 1 395.459 3.620 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2nc(CN[C@H]3CC[C@](O)(C(F)(F)F)C3)cs2)c1 ZINC000589938379 855193985 /nfs/dbraw/zinc/19/39/85/855193985.db2.gz NSXOLTHEAWBHGO-XHDPSFHLSA-N 0 1 387.383 3.654 20 5 GHBDMN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc(Oc2ccccc2)nc1 ZINC000057119087 855223662 /nfs/dbraw/zinc/22/36/62/855223662.db2.gz XEDSFMDVKZMATH-UHFFFAOYSA-N 0 1 385.401 3.891 20 5 GHBDMN Cc1nc(-c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3C)cc2)oc1C ZINC000057120437 855223683 /nfs/dbraw/zinc/22/36/83/855223683.db2.gz YKPADIMHZNJWRZ-UHFFFAOYSA-N 0 1 387.417 3.976 20 5 GHBDMN CC[C@H](N[C@H](C)c1ccccc1[N+](=O)[O-])c1ccccc1OCC(=O)N(C)C ZINC000266846616 855264305 /nfs/dbraw/zinc/26/43/05/855264305.db2.gz ICNSFCIJCRQHME-QAPCUYQASA-N 0 1 385.464 3.864 20 5 GHBDMN O=C1Nc2ccccc2[C@@]12CCN(Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C2 ZINC000590174929 855324046 /nfs/dbraw/zinc/32/40/46/855324046.db2.gz KCZKQQZJCIUBAW-SFHVURJKSA-N 0 1 391.349 3.709 20 5 GHBDMN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cc(F)cc2nc[nH]c21 ZINC000427600762 855749443 /nfs/dbraw/zinc/74/94/43/855749443.db2.gz IHOOZMCNXHJNJO-UHFFFAOYSA-N 0 1 382.273 3.559 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C(=O)Nc2nc(-c3sccc3C)ns2)c1 ZINC000131729049 856268898 /nfs/dbraw/zinc/26/88/98/856268898.db2.gz IZRYCXHVWMNMSV-UHFFFAOYSA-N 0 1 376.419 3.744 20 5 GHBDMN CN(Cc1ccco1)Cc1ccccc1CNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000172766256 856595346 /nfs/dbraw/zinc/59/53/46/856595346.db2.gz KGJCIVGETPCXEG-UHFFFAOYSA-N 0 1 394.431 3.531 20 5 GHBDMN O=C(NCc1ccccc1)C1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000120948366 856626337 /nfs/dbraw/zinc/62/63/37/856626337.db2.gz PBQCTQLYPRPGDN-UXBLZVDNSA-N 0 1 379.460 3.636 20 5 GHBDMN C[C@@H](N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(NC(=O)C2CC2)cc1 ZINC000130897742 856811005 /nfs/dbraw/zinc/81/10/05/856811005.db2.gz XTPWOMJAEBQFEE-KGLIPLIRSA-N 0 1 396.447 3.621 20 5 GHBDMN COc1ccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1OCc1ccncc1 ZINC000427902678 856839039 /nfs/dbraw/zinc/83/90/39/856839039.db2.gz HXIXRLNLJRPIMD-UHFFFAOYSA-N 0 1 395.371 3.535 20 5 GHBDMN C[C@@H](N[C@H](C)c1cccc(N2CCCS2(=O)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000245455885 856874866 /nfs/dbraw/zinc/87/48/66/856874866.db2.gz IMUBDECYYCZKNB-HUUCEWRRSA-N 0 1 389.477 3.547 20 5 GHBDMN COc1cccc([C@H]2[C@H](NC(=O)c3cccc(C)c3[N+](=O)[O-])CCN2C2CC2)c1 ZINC000245534460 856937863 /nfs/dbraw/zinc/93/78/63/856937863.db2.gz DYUKCQLBCKWWIO-CTNGQTDRSA-N 0 1 395.459 3.620 20 5 GHBDMN CCC[C@@H](Nc1cccc(CN2CCC[C@H]2C(N)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000245653782 857057949 /nfs/dbraw/zinc/05/79/49/857057949.db2.gz CHHRIEIGCYCGNB-RTWAWAEBSA-N 0 1 396.491 3.998 20 5 GHBDMN C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000508202815 857063732 /nfs/dbraw/zinc/06/37/32/857063732.db2.gz AUEWXLVLERGBJV-SNVBAGLBSA-N 0 1 392.337 3.851 20 5 GHBDMN Cc1ccc([C@@H](CNc2ncc(Br)cc2[N+](=O)[O-])N2CCCC2)o1 ZINC000301680022 857069357 /nfs/dbraw/zinc/06/93/57/857069357.db2.gz JFLUGJSBDLGEAT-CQSZACIVSA-N 0 1 395.257 3.903 20 5 GHBDMN O=C(N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1ccccc1[N+](=O)[O-] ZINC000114424946 858022443 /nfs/dbraw/zinc/02/24/43/858022443.db2.gz XVPDDKGIAKXIEB-HNNXBMFYSA-N 0 1 393.365 3.618 20 5 GHBDMN CCC[C@H](N[C@H]1CCc2c1cccc2[N+](=O)[O-])C(=O)N1CCc2sccc2C1 ZINC000594495366 858192518 /nfs/dbraw/zinc/19/25/18/858192518.db2.gz RDRCYIRGPHYSRR-ROUUACIJSA-N 0 1 399.516 3.987 20 5 GHBDMN O=[N+]([O-])c1cnc(N2CCC(c3cc(-c4ccncc4)[nH]n3)CC2)c(Cl)c1 ZINC000594582856 858229588 /nfs/dbraw/zinc/22/95/88/858229588.db2.gz LWPRVXUYCNTJIF-UHFFFAOYSA-N 0 1 384.827 3.812 20 5 GHBDMN CN(Cc1cc(Cl)cc(Cl)c1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000059375275 858341766 /nfs/dbraw/zinc/34/17/66/858341766.db2.gz UJQJYOYUHGTGAE-INIZCTEOSA-N 0 1 385.247 3.773 20 5 GHBDMN O=C(N[C@@H](c1cccc(F)c1)c1ccccn1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000121091620 858704775 /nfs/dbraw/zinc/70/47/75/858704775.db2.gz MTGZDAROOMXBLY-SFHVURJKSA-N 0 1 391.362 3.525 20 5 GHBDMN Cc1c(CN2CCSCC2)cccc1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000116548339 859025036 /nfs/dbraw/zinc/02/50/36/859025036.db2.gz PRCPJPADHBLMJE-UHFFFAOYSA-N 0 1 389.452 3.843 20 5 GHBDMN CCc1ccc([C@H](NCC2CCN(C(C)=O)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000544358475 859268277 /nfs/dbraw/zinc/26/82/77/859268277.db2.gz AKBDGSBUKNMYDK-OAQYLSRUSA-N 0 1 385.464 3.688 20 5 GHBDMN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccc(C(F)(F)F)nc2C)c1 ZINC000509387945 859273040 /nfs/dbraw/zinc/27/30/40/859273040.db2.gz WPVZCPJOKSEWLJ-UHFFFAOYSA-N 0 1 389.355 3.735 20 5 GHBDMN CCc1ccc([C@H](NC2CCN(C(=O)C3CC3)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543406575 859602299 /nfs/dbraw/zinc/60/22/99/859602299.db2.gz KQXGUKIGJVBFQR-OAQYLSRUSA-N 0 1 397.475 3.830 20 5 GHBDMN COc1ccc(C[C@H](C)N2CC[C@@H](Oc3cc(F)ccc3F)C2)c([N+](=O)[O-])c1 ZINC001170345064 881448551 /nfs/dbraw/zinc/44/85/51/881448551.db2.gz GYHQXPSAQHXUIF-SUMWQHHRSA-N 0 1 392.402 3.966 20 5 GHBDMN Cc1ccc([C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)N2CCCC2)o1 ZINC000117779088 859618087 /nfs/dbraw/zinc/61/80/87/859618087.db2.gz ACSBWCPRILHJIE-KRWDZBQOSA-N 0 1 391.855 3.645 20 5 GHBDMN COc1ccc(CSCC(=O)Nc2cccc(Cl)c2O)cc1[N+](=O)[O-] ZINC000611157431 859624940 /nfs/dbraw/zinc/62/49/40/859624940.db2.gz ZTBHKNQPRNVSSL-UHFFFAOYSA-N 0 1 382.825 3.834 20 5 GHBDMN CN(c1ccccc1)c1ccc(CN(CC(N)=O)C2CCCC2)cc1[N+](=O)[O-] ZINC000611254283 859665034 /nfs/dbraw/zinc/66/50/34/859665034.db2.gz PHNJGKCWWDFDJI-UHFFFAOYSA-N 0 1 382.464 3.593 20 5 GHBDMN O=[N+]([O-])c1ccsc1NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000611412419 859746005 /nfs/dbraw/zinc/74/60/05/859746005.db2.gz YCEVLARCSQEKSF-UHFFFAOYSA-N 0 1 380.227 3.816 20 5 GHBDMN O=[N+]([O-])c1ccsc1NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000611412419 859746011 /nfs/dbraw/zinc/74/60/11/859746011.db2.gz YCEVLARCSQEKSF-UHFFFAOYSA-N 0 1 380.227 3.816 20 5 GHBDMN COc1cc(CN[C@@](C)(CO)c2cccc(C(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000611516473 859797202 /nfs/dbraw/zinc/79/72/02/859797202.db2.gz RBYROURKCXMKLD-KRWDZBQOSA-N 0 1 384.354 3.620 20 5 GHBDMN COc1cccc(F)c1[C@H](C)NCCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000129903717 859823864 /nfs/dbraw/zinc/82/38/64/859823864.db2.gz YOZUMXQMOOZOCE-NSHDSACASA-N 0 1 379.363 3.561 20 5 GHBDMN O=[N+]([O-])c1cccc([C@H](O)CN2CCC(c3nc(-c4ccccc4)no3)CC2)c1 ZINC000153993234 859956091 /nfs/dbraw/zinc/95/60/91/859956091.db2.gz GZSVVYKJXXVOOO-LJQANCHMSA-N 0 1 394.431 3.558 20 5 GHBDMN O=C(Nc1ccc(OC(=O)c2cccc([N+](=O)[O-])c2O)cc1)c1cccs1 ZINC000765467084 859986240 /nfs/dbraw/zinc/98/62/40/859986240.db2.gz ZREJGYPFLLVFCJ-UHFFFAOYSA-N 0 1 384.369 3.833 20 5 GHBDMN CC(C)C(=O)NC[C@H]1CCCN(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602455056 860030306 /nfs/dbraw/zinc/03/03/06/860030306.db2.gz PVUCIBRGNJYWEG-CYBMUJFWSA-N 0 1 387.402 3.598 20 5 GHBDMN COC(=O)[C@@H](C)Oc1ccc(CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000154272460 860043622 /nfs/dbraw/zinc/04/36/22/860043622.db2.gz HMLJONGOPKJKMR-OAHLLOKOSA-N 0 1 384.432 3.700 20 5 GHBDMN O=C(NC1CCCCC1)NC1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000092481010 860060230 /nfs/dbraw/zinc/06/02/30/860060230.db2.gz ZTDKTEFGDWTBTE-SOFGYWHQSA-N 0 1 386.496 3.704 20 5 GHBDMN C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CC1 ZINC000520411674 881509855 /nfs/dbraw/zinc/50/98/55/881509855.db2.gz BIADNHZGLWWBLF-ZDUSSCGKSA-N 0 1 389.839 3.830 20 5 GHBDMN Cc1ccc2nc([C@H]3CCCN(C(=O)Cc4ccc(F)cc4[N+](=O)[O-])C3)[nH]c2c1 ZINC000593545943 860291760 /nfs/dbraw/zinc/29/17/60/860291760.db2.gz HOSDQIFWHKFJET-HNNXBMFYSA-N 0 1 396.422 3.867 20 5 GHBDMN CCOC(=O)c1ccnc(N2CCC[C@@H]2c2nc3ccc(C)cc3[nH]2)c1[N+](=O)[O-] ZINC000555288677 860372366 /nfs/dbraw/zinc/37/23/66/860372366.db2.gz GVLBLBBFTNTTAY-MRXNPFEDSA-N 0 1 395.419 3.693 20 5 GHBDMN O=[N+]([O-])c1ccc(NS(=O)(=O)Cc2ccccc2F)cc1C(F)(F)F ZINC000186631366 860800147 /nfs/dbraw/zinc/80/01/47/860800147.db2.gz DHEUNNDLSFYAGL-UHFFFAOYSA-N 0 1 378.303 3.695 20 5 GHBDMN CSc1ccc(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000603601995 860888413 /nfs/dbraw/zinc/88/84/13/860888413.db2.gz SAUKTQOGUVQJHI-QGZVFWFLSA-N 0 1 385.489 3.711 20 5 GHBDMN CCOc1ccc([C@H](C)N[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1OC ZINC000603598557 860913256 /nfs/dbraw/zinc/91/32/56/860913256.db2.gz LDBXTQOVDPBLCC-KBPBESRZSA-N 0 1 387.436 3.680 20 5 GHBDMN Cc1cc(CN2CCSCC2)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000126455590 861049820 /nfs/dbraw/zinc/04/98/20/861049820.db2.gz RWJALWJCNITTLA-UHFFFAOYSA-N 0 1 389.452 3.843 20 5 GHBDMN COc1cc(C[N@H+](C)Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])ccc1SC ZINC000593733909 861083770 /nfs/dbraw/zinc/08/37/70/861083770.db2.gz DJQRAHLYXCJOLD-UHFFFAOYSA-N 0 1 376.434 3.656 20 5 GHBDMN COc1cc(C[N@@H+](C)Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])ccc1SC ZINC000593733909 861083788 /nfs/dbraw/zinc/08/37/88/861083788.db2.gz DJQRAHLYXCJOLD-UHFFFAOYSA-N 0 1 376.434 3.656 20 5 GHBDMN COc1cc(C[N@H+](C)Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])ccc1OC(F)F ZINC000593734611 861089946 /nfs/dbraw/zinc/08/99/46/861089946.db2.gz OKIFGOWIDDQLHB-UHFFFAOYSA-N 0 1 396.346 3.535 20 5 GHBDMN COc1cc(C[N@@H+](C)Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])ccc1OC(F)F ZINC000593734611 861089960 /nfs/dbraw/zinc/08/99/60/861089960.db2.gz OKIFGOWIDDQLHB-UHFFFAOYSA-N 0 1 396.346 3.535 20 5 GHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCCCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000159961137 863201788 /nfs/dbraw/zinc/20/17/88/863201788.db2.gz XAGAXYMBGXXGIS-CXAGYDPISA-N 0 1 398.419 3.573 20 5 GHBDMN O=[N+]([O-])c1c(Br)cccc1NC1CCN(Cc2ccccn2)CC1 ZINC000856723716 881688843 /nfs/dbraw/zinc/68/88/43/881688843.db2.gz DOAXAHDQPJUIIF-UHFFFAOYSA-N 0 1 391.269 3.829 20 5 GHBDMN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNC[C@H]1CCC2(CCOCC2)O1 ZINC000896922285 863881426 /nfs/dbraw/zinc/88/14/26/863881426.db2.gz XAANGGPSOIEDRQ-CYBMUJFWSA-N 0 1 375.252 3.719 20 5 GHBDMN COC(=O)[C@@H]1CCCC[C@]1(C)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000499256586 881746390 /nfs/dbraw/zinc/74/63/90/881746390.db2.gz QQYLJUDPGKIRBY-LPHOPBHVSA-N 0 1 389.477 3.930 20 5 GHBDMN O=C(O[C@@H]1CCN(Cc2ccccc2)C1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000735221332 864690701 /nfs/dbraw/zinc/69/07/01/864690701.db2.gz NWENGDAJGKLYEB-LJQANCHMSA-N 0 1 395.459 3.626 20 5 GHBDMN CSc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000475306214 864743362 /nfs/dbraw/zinc/74/33/62/864743362.db2.gz YMJSIASVZREPIZ-INIZCTEOSA-N 0 1 385.489 3.663 20 5 GHBDMN COCCCC[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000480619040 864976222 /nfs/dbraw/zinc/97/62/22/864976222.db2.gz XAYBQDWXTSIILX-INIZCTEOSA-N 0 1 396.440 3.570 20 5 GHBDMN O=[N+]([O-])c1ccc2[nH]c(=N[C@@H](CO)c3ccccc3OC(F)(F)F)ccc2c1 ZINC000480852142 865394191 /nfs/dbraw/zinc/39/41/91/865394191.db2.gz LRCSQSDGBJAUHR-HNNXBMFYSA-N 0 1 393.321 3.609 20 5 GHBDMN Cc1ccc(NC(=O)c2ccc(N3C[C@@H](C)N(C)[C@@H](C)C3)c([N+](=O)[O-])c2)cc1 ZINC000555219948 865712002 /nfs/dbraw/zinc/71/20/02/865712002.db2.gz HMCGQVJOAJQENI-IYBDPMFKSA-N 0 1 382.464 3.684 20 5 GHBDMN C[C@H](C(=O)NC[C@H](c1ccc(Cl)cc1)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000555312962 865887011 /nfs/dbraw/zinc/88/70/11/865887011.db2.gz XJQHFBFMFCEUIU-SCLBCKFNSA-N 0 1 375.856 3.771 20 5 GHBDMN C[C@@H]1CN(Cc2ccccc2)CCN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000534121976 866152896 /nfs/dbraw/zinc/15/28/96/866152896.db2.gz WLSPPMCITZWKCH-QGZVFWFLSA-N 0 1 392.459 3.956 20 5 GHBDMN COC(=O)COc1ccc(CN(Cc2cccs2)C(C)C)cc1[N+](=O)[O-] ZINC000475555372 866268787 /nfs/dbraw/zinc/26/87/87/866268787.db2.gz WSUXSPFLXKSDJR-UHFFFAOYSA-N 0 1 378.450 3.619 20 5 GHBDMN O=[N+]([O-])c1ccccc1/C=C/CN[C@H](CO)c1ccccc1OC(F)(F)F ZINC000475568602 866332782 /nfs/dbraw/zinc/33/27/82/866332782.db2.gz OEQWDKUXJBVDGE-KEDPEKRHSA-N 0 1 382.338 3.830 20 5 GHBDMN CC(C)NC(=O)c1ccc(NCc2ccc(CN(C)C)c(F)c2)c([N+](=O)[O-])c1 ZINC000534237725 866347225 /nfs/dbraw/zinc/34/72/25/866347225.db2.gz WFIXLYOKPKVKOX-UHFFFAOYSA-N 0 1 388.443 3.546 20 5 GHBDMN Cc1ccc(-c2[nH][nH]c(=NC(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)c2C)o1 ZINC000444740216 867162403 /nfs/dbraw/zinc/16/24/03/867162403.db2.gz SUNYHIHJEVEFOH-UHFFFAOYSA-N 0 1 398.422 3.955 20 5 GHBDMN CC(C)N1CC[C@H](N(C)C(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000457085952 867635038 /nfs/dbraw/zinc/63/50/38/867635038.db2.gz ICFHVQMKUHOXQW-AWEZNQCLSA-N 0 1 399.441 3.514 20 5 GHBDMN O=C(Nc1cccc(CN2CCSCC2)c1)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000534961269 867874824 /nfs/dbraw/zinc/87/48/24/867874824.db2.gz NUYUJFBAFSIWIM-UHFFFAOYSA-N 0 1 396.472 3.877 20 5 GHBDMN Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000440730852 868287307 /nfs/dbraw/zinc/28/73/07/868287307.db2.gz FOBLFKOTTOWLGR-INIZCTEOSA-N 0 1 385.811 3.805 20 5 GHBDMN O=[N+]([O-])c1cc(CN[C@H](CO)CC(F)(F)F)ccc1Oc1ccc(F)cc1 ZINC000535300576 868530150 /nfs/dbraw/zinc/53/01/50/868530150.db2.gz XSRCKWIFTMDKTA-ZDUSSCGKSA-N 0 1 388.317 3.929 20 5 GHBDMN COc1ccc2c(c1)CCC[C@H]2N(C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000554180981 868868351 /nfs/dbraw/zinc/86/83/51/868868351.db2.gz HSWMDDMNBLJTSH-HXUWFJFHSA-N 0 1 383.448 3.860 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](c1ccc(F)c(C)c1)C1CC1 ZINC000539423250 869102459 /nfs/dbraw/zinc/10/24/59/869102459.db2.gz CVNGWBXGHHZXHS-FQEVSTJZSA-N 0 1 387.411 3.730 20 5 GHBDMN CS[C@@H]1CCC[C@@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000462336646 869270488 /nfs/dbraw/zinc/27/04/88/869270488.db2.gz BCXKZDHSESUDOF-NXEZZACHSA-N 0 1 399.321 3.854 20 5 GHBDMN Cc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)cc2n[nH]cc21 ZINC000766329164 869499850 /nfs/dbraw/zinc/49/98/50/869499850.db2.gz KIQYFJKKVLKRJI-UHFFFAOYSA-N 0 1 380.813 3.542 20 5 GHBDMN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCN(C)Cc1ccc(F)cc1 ZINC000462601843 869746223 /nfs/dbraw/zinc/74/62/23/869746223.db2.gz JPSZQZBQVAXJRI-SFHVURJKSA-N 0 1 387.455 3.551 20 5 GHBDMN CCOc1ccc(NC(=O)CN[C@H](CC)c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC001192452033 870415495 /nfs/dbraw/zinc/41/54/95/870415495.db2.gz HGVNNJGUFWYJCU-MRXNPFEDSA-N 0 1 375.400 3.812 20 5 GHBDMN C[C@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1cc2cccc(F)c2o1 ZINC000475706557 882440721 /nfs/dbraw/zinc/44/07/21/882440721.db2.gz AJLPXNKSAPMNNQ-LBPRGKRZSA-N 0 1 383.379 3.720 20 5 GHBDMN COC(=O)[C@H]1CCCC[C@]1(C)NCc1c(Br)cccc1[N+](=O)[O-] ZINC001193032549 870857712 /nfs/dbraw/zinc/85/77/12/870857712.db2.gz DWZFWGSYKUOYOP-WBMJQRKESA-N 0 1 385.258 3.569 20 5 GHBDMN C[C@@H](N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccccc1OC(F)F ZINC000540344657 871072333 /nfs/dbraw/zinc/07/23/33/871072333.db2.gz DAEJSODNOVYZKQ-MLGOLLRUSA-N 0 1 391.374 3.652 20 5 GHBDMN CC(C)(C)OC(=O)N1CCN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)[C@H](c2ccccc2)C1 ZINC001169011628 871094885 /nfs/dbraw/zinc/09/48/85/871094885.db2.gz LSYFHEGKQNSIAQ-QRQLOZEOSA-N 0 1 389.496 3.726 20 5 GHBDMN COc1ccc(OCCN(C)[C@@]2(c3ccccc3)CCCCC2=O)c([N+](=O)[O-])c1 ZINC001193461910 871111843 /nfs/dbraw/zinc/11/18/43/871111843.db2.gz RCQASVRJEMAULB-JOCHJYFZSA-N 0 1 398.459 3.953 20 5 GHBDMN CC[C@@H](CN(CC)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccccc1 ZINC001193591839 871177778 /nfs/dbraw/zinc/17/77/78/871177778.db2.gz BMGAHRFCLWTOJQ-KRWDZBQOSA-N 0 1 381.476 4.000 20 5 GHBDMN O=[N+]([O-])c1ccccc1CN(C[C@@H](O)COCc1ccccc1Cl)C1CC1 ZINC000441239449 871359131 /nfs/dbraw/zinc/35/91/31/871359131.db2.gz OXWOCSVOKBAQOD-GOSISDBHSA-N 0 1 390.867 3.790 20 5 GHBDMN CCOc1cc(N2CCN(CCCSCC(C)C)CC2)ccc1[N+](=O)[O-] ZINC001193991467 871449466 /nfs/dbraw/zinc/44/94/66/871449466.db2.gz UQIRGVKAPDCWHV-UHFFFAOYSA-N 0 1 381.542 3.895 20 5 GHBDMN CC1(C)CC[C@@H](NS(=O)(=O)c2ncccc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC001193997041 871453434 /nfs/dbraw/zinc/45/34/34/871453434.db2.gz GPDGHISGYFKLNZ-HZPDHXFCSA-N 0 1 389.477 3.631 20 5 GHBDMN C[C@H]1CN(c2cccc3cnccc32)CCN1CCOc1ccccc1[N+](=O)[O-] ZINC000447401513 871538282 /nfs/dbraw/zinc/53/82/82/871538282.db2.gz ZKNZRLRFTPTCBH-KRWDZBQOSA-N 0 1 392.459 3.733 20 5 GHBDMN COc1cc(CN2CCCN(Cc3ccc(F)cc3)CC2)c([N+](=O)[O-])cc1F ZINC000463479198 871857222 /nfs/dbraw/zinc/85/72/22/871857222.db2.gz QAYLUKPROXCQOD-UHFFFAOYSA-N 0 1 391.418 3.590 20 5 GHBDMN Cc1ccc([C@@H](C)NCC(=O)NCc2cccc(OC(C)C)c2)cc1[N+](=O)[O-] ZINC000539381309 871864386 /nfs/dbraw/zinc/86/43/86/871864386.db2.gz RQQHOKPVVIVWEZ-MRXNPFEDSA-N 0 1 385.464 3.657 20 5 GHBDMN CCOc1ccc([C@@H]2CCC[N@H+]2C[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000182199153 872019357 /nfs/dbraw/zinc/01/93/57/872019357.db2.gz WQBVLAZMSAUXDH-HKUYNNGSSA-N 0 1 386.448 3.570 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1CN1CC[C@H](C)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001194899404 872020110 /nfs/dbraw/zinc/02/01/10/872020110.db2.gz RIZRFUDDSVSXSV-GOEBONIOSA-N 0 1 393.484 3.586 20 5 GHBDMN C[C@H](Cc1cccc(F)c1)N(C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001195013169 872070386 /nfs/dbraw/zinc/07/03/86/872070386.db2.gz JVVCYVDTJBFUSO-GFCCVEGCSA-N 0 1 379.819 3.889 20 5 GHBDMN CC(C)Oc1ccc([C@H](C)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000182396927 872284451 /nfs/dbraw/zinc/28/44/51/872284451.db2.gz DQXHBDAQLMZJEZ-HNNXBMFYSA-N 0 1 392.477 3.507 20 5 GHBDMN Cc1ccc(-c2n[nH]c(SCC(=O)OCc3cccc([N+](=O)[O-])c3C)n2)cc1 ZINC000767420402 872506671 /nfs/dbraw/zinc/50/66/71/872506671.db2.gz SRETWXNWDRSBRX-UHFFFAOYSA-N 0 1 398.444 3.832 20 5 GHBDMN C[C@@H]1OCC[C@]1(O)CN(Cc1ccccc1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000447909204 872512624 /nfs/dbraw/zinc/51/26/24/872512624.db2.gz WAGXTERWHJWHLK-YWZLYKJASA-N 0 1 390.867 3.790 20 5 GHBDMN CCCC[C@@](C)(NC(=O)c1n[nH]cc1[N+](=O)[O-])c1cccc(Br)c1 ZINC000478154022 872589721 /nfs/dbraw/zinc/58/97/21/872589721.db2.gz UXVSJKXLRYKCJY-MRXNPFEDSA-N 0 1 395.257 3.916 20 5 GHBDMN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000448029983 872755039 /nfs/dbraw/zinc/75/50/39/872755039.db2.gz RIOHRBYTICOUDA-YWZLYKJASA-N 0 1 382.464 3.825 20 5 GHBDMN C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)[C@@H](C)CN1Cc1ccccc1 ZINC001127247393 872788218 /nfs/dbraw/zinc/78/82/18/872788218.db2.gz WXAAHEBOJYYDNG-KLDKWKSESA-N 0 1 393.487 3.820 20 5 GHBDMN Cc1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)c1C ZINC000742231857 872845513 /nfs/dbraw/zinc/84/55/13/872845513.db2.gz BFJCVERQMQHESO-UHFFFAOYSA-N 0 1 385.239 3.775 20 5 GHBDMN CC1(C)CCC[C@](CO)(NCc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC001196217320 872959432 /nfs/dbraw/zinc/95/94/32/872959432.db2.gz JOZQNIQWFFBNTR-SFHVURJKSA-N 0 1 394.859 3.719 20 5 GHBDMN O=C(Nc1nc(-c2ccc(Cl)cc2)n[nH]1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000768706178 873510796 /nfs/dbraw/zinc/51/07/96/873510796.db2.gz IJZYKMJWNRDKAP-UHFFFAOYSA-N 0 1 378.175 3.939 20 5 GHBDMN C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000768716432 873515567 /nfs/dbraw/zinc/51/55/67/873515567.db2.gz MHXZDKNJNVEIAD-HNNXBMFYSA-N 0 1 387.867 3.985 20 5 GHBDMN COc1c(Cl)cc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1Cl ZINC000768882779 873645897 /nfs/dbraw/zinc/64/58/97/873645897.db2.gz IVUHCDMZQTUNTJ-UHFFFAOYSA-N 0 1 383.234 3.773 20 5 GHBDMN CCN(Cc1ccc(Br)c([N+](=O)[O-])c1)[C@@H](CO)c1ccccc1 ZINC001197253970 873677321 /nfs/dbraw/zinc/67/73/21/873677321.db2.gz DNMHIMOYAPJPRT-KRWDZBQOSA-N 0 1 379.254 3.913 20 5 GHBDMN CSc1ccc([N+](=O)[O-])c(C(=O)OCCN(C)Cc2ccc(F)cc2)c1 ZINC000769068955 873800050 /nfs/dbraw/zinc/80/00/50/873800050.db2.gz HZKKOTDPISQWBI-UHFFFAOYSA-N 0 1 378.425 3.745 20 5 GHBDMN C[C@H](N[C@@H]1CC2(CCC2)Oc2ccccc21)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001197673184 873962086 /nfs/dbraw/zinc/96/20/86/873962086.db2.gz WCPAMIWIRSIDST-KBXCAEBGSA-N 0 1 381.432 3.958 20 5 GHBDMN Cc1c(F)cccc1S(=O)(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000769635351 874179173 /nfs/dbraw/zinc/17/91/73/874179173.db2.gz CMBBNFOWPXYZJQ-UHFFFAOYSA-N 0 1 389.202 3.606 20 5 GHBDMN CC1(C)CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CCN1Cc1ccccc1 ZINC000541831750 874353313 /nfs/dbraw/zinc/35/33/13/874353313.db2.gz ATVRTRYPALOSPL-UHFFFAOYSA-N 0 1 386.427 3.862 20 5 GHBDMN Cc1[nH]nc2cc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3Br)ccc12 ZINC000770259161 874552344 /nfs/dbraw/zinc/55/23/44/874552344.db2.gz OQGZRLNLZAFITD-UHFFFAOYSA-N 0 1 393.172 3.933 20 5 GHBDMN CCOc1ccc(C(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000464894462 874734365 /nfs/dbraw/zinc/73/43/65/874734365.db2.gz LEMMKKQQFYAZPZ-KRWDZBQOSA-N 0 1 397.475 3.730 20 5 GHBDMN COc1ccc(NC(=O)NC[C@H](c2ccco2)N2CCCCC2)cc1[N+](=O)[O-] ZINC000542032928 874795694 /nfs/dbraw/zinc/79/56/94/874795694.db2.gz NZDCVLPNASZJFG-MRXNPFEDSA-N 0 1 388.424 3.545 20 5 GHBDMN Cn1cc(Br)c(CN[C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])n1 ZINC000449483769 874933481 /nfs/dbraw/zinc/93/34/81/874933481.db2.gz KLTJPYRRFFXCBD-WFASDCNBSA-N 0 1 393.285 3.592 20 5 GHBDMN COc1cccc([C@H]2C[C@@H](C)CN2CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000542252170 875222175 /nfs/dbraw/zinc/22/21/75/875222175.db2.gz HKTFJYQIHAFBBH-FOIQADDNSA-N 0 1 383.448 3.649 20 5 GHBDMN COc1cccc([C@@H]2C[C@H](C)CN2CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000542252180 875222303 /nfs/dbraw/zinc/22/23/03/875222303.db2.gz HKTFJYQIHAFBBH-YWZLYKJASA-N 0 1 383.448 3.649 20 5 GHBDMN O=C(NC[C@@H]1CCN1C1CCCCC1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000529720659 876597087 /nfs/dbraw/zinc/59/70/87/876597087.db2.gz VOBGZOVFTVDDOX-KRWDZBQOSA-N 0 1 389.499 3.818 20 5 GHBDMN CN(C)C(=O)[C@H]1CCCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000122578020 876690413 /nfs/dbraw/zinc/69/04/13/876690413.db2.gz QDQFXLIYSZZQGG-MRXNPFEDSA-N 0 1 377.828 3.561 20 5 GHBDMN C[C@H](NC(=O)N1CCN(Cc2ccccc2)C(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000609211388 883058443 /nfs/dbraw/zinc/05/84/43/883058443.db2.gz CBZKAOUYFYDHDI-KRWDZBQOSA-N 0 1 396.491 3.962 20 5 GHBDMN CC[C@@H](CS(=O)(=O)c1ccccc1)N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193045794 876779969 /nfs/dbraw/zinc/77/99/69/876779969.db2.gz MSOUXTJJIFIQCX-JXFKEZNVSA-N 0 1 388.489 3.814 20 5 GHBDMN CCOc1cc(CN2CCC[C@@H](C(=O)Nc3cccc(C)n3)C2)ccc1[N+](=O)[O-] ZINC000492515724 876977179 /nfs/dbraw/zinc/97/71/79/876977179.db2.gz RTHYYCRSMJUANG-QGZVFWFLSA-N 0 1 398.463 3.548 20 5 GHBDMN O=C(OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CCCN1C1CCCC1 ZINC000786878577 877001128 /nfs/dbraw/zinc/00/11/28/877001128.db2.gz FRKWAOHIBUZXAL-GOSISDBHSA-N 0 1 385.420 3.700 20 5 GHBDMN CC[C@@H]1Oc2cc([C@H](C)NCc3ccc([N+](=O)[O-])c(OC)c3)ccc2NC1=O ZINC000492757018 877519734 /nfs/dbraw/zinc/51/97/34/877519734.db2.gz NYUVZPHPQAEUPT-SJCJKPOMSA-N 0 1 385.420 3.564 20 5 GHBDMN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCc1nc2ccc(F)cc2[nH]1 ZINC000477385030 877551430 /nfs/dbraw/zinc/55/14/30/877551430.db2.gz UXMAUBCZJAIBDF-UHFFFAOYSA-N 0 1 376.775 3.545 20 5 GHBDMN O=C(CCc1cccc([N+](=O)[O-])c1)N[C@@H]1CCc2nc(C3CCCCC3)[nH]c2C1 ZINC000788243646 877943446 /nfs/dbraw/zinc/94/34/46/877943446.db2.gz LYFCBCCFNUYMFZ-QGZVFWFLSA-N 0 1 396.491 3.972 20 5 GHBDMN Cc1cc(C(=O)N[C@H]2CCc3nc(C4CCCCC4)[nH]c3C2)ccc1[N+](=O)[O-] ZINC000788243663 877943885 /nfs/dbraw/zinc/94/38/85/877943885.db2.gz MNLQDZQOKWZJGB-INIZCTEOSA-N 0 1 382.464 3.961 20 5 GHBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@H](OC)[C@H](C)C2)cc1OC ZINC000451576095 878185806 /nfs/dbraw/zinc/18/58/06/878185806.db2.gz UBPVJOIRRXVSNH-DAYGRLMNSA-N 0 1 380.485 3.885 20 5 GHBDMN CO[C@@H]1CCC[C@H]1N[C@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000451627315 878240794 /nfs/dbraw/zinc/24/07/94/878240794.db2.gz CAJCZJDWHUALEY-RLLQIKCJSA-N 0 1 383.448 3.740 20 5 GHBDMN C[C@@H](Nc1cccc(CN2C[C@@H](C)O[C@H](C)C2)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788704244 878266842 /nfs/dbraw/zinc/26/68/42/878266842.db2.gz NVDWSZFTLAUJFH-BZUAXINKSA-N 0 1 384.480 3.959 20 5 GHBDMN CCC[C@@H](NCCS(=O)(=O)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000537962365 878596126 /nfs/dbraw/zinc/59/61/26/878596126.db2.gz WLRZRBRXRBQRTA-GOSISDBHSA-N 0 1 380.441 3.639 20 5 GHBDMN C[C@@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc2c(c1)CCCO2 ZINC000852782482 878596858 /nfs/dbraw/zinc/59/68/58/878596858.db2.gz QUKVQDGTKDJIBP-GFCCVEGCSA-N 0 1 389.839 3.863 20 5 GHBDMN COc1cccc([C@H]2C[C@H](N(C)CC(=O)Nc3c(C)cccc3[N+](=O)[O-])C2)c1 ZINC000452020204 878815628 /nfs/dbraw/zinc/81/56/28/878815628.db2.gz QZOLHCOXGQWSDF-QAQDUYKDSA-N 0 1 383.448 3.728 20 5 GHBDMN CCOc1cccc([C@@H](C)N[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)c1 ZINC000068839691 879089573 /nfs/dbraw/zinc/08/95/73/879089573.db2.gz MUZMOUQSSWZMPR-KGLIPLIRSA-N 0 1 387.436 3.680 20 5 GHBDMN O=[N+]([O-])c1ccc(CNCc2cc(F)ccc2N2CCOCC2)cc1Cl ZINC000761526514 879234284 /nfs/dbraw/zinc/23/42/84/879234284.db2.gz NYLFAJFWIYWEIL-UHFFFAOYSA-N 0 1 379.819 3.514 20 5 GHBDMN O=C1[C@H](NCc2ccc([N+](=O)[O-])c(Cl)c2)CCN1c1ccc(F)c(Cl)c1 ZINC000761525078 879245695 /nfs/dbraw/zinc/24/56/95/879245695.db2.gz BPMBGPGFPWEWIL-OAHLLOKOSA-N 0 1 398.221 3.936 20 5 GHBDMN O=[N+]([O-])c1ccc(CSc2nc(-c3ccc4c(c3)OCCO4)n[nH]2)cc1F ZINC000789968321 879369985 /nfs/dbraw/zinc/36/99/85/879369985.db2.gz VXYLLAXTZVVJJZ-UHFFFAOYSA-N 0 1 388.380 3.583 20 5 GHBDMN O=C1C[C@@H](NCc2ccccc2[N+](=O)[O-])CN1c1cccc(C(F)(F)F)c1 ZINC000538412213 879453954 /nfs/dbraw/zinc/45/39/54/879453954.db2.gz LKYXCNVLMFQWRM-CQSZACIVSA-N 0 1 379.338 3.509 20 5 GHBDMN O=C(N[C@H]1CCCN(Cc2ccccc2)C1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000031566385 879702368 /nfs/dbraw/zinc/70/23/68/879702368.db2.gz GXHXYKYEDBPXOV-IBGZPJMESA-N 0 1 394.475 3.564 20 5 GHBDMN O=C(c1cc(-c2ccc(Cl)cc2)[nH]n1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000461409444 879720719 /nfs/dbraw/zinc/72/07/19/879720719.db2.gz XBWXTOPQYSGLQN-UHFFFAOYSA-N 0 1 398.806 3.673 20 5 GHBDMN O=[N+]([O-])c1cccc([C@H](NCc2ccc(OCCO)cc2)c2ccccc2)c1 ZINC000494063162 879868578 /nfs/dbraw/zinc/86/85/78/879868578.db2.gz AVOFJNGIRIMWMS-JOCHJYFZSA-N 0 1 378.428 3.845 20 5 GHBDMN C[C@@H](CC(C)(C)c1ccccc1)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000520156157 879907533 /nfs/dbraw/zinc/90/75/33/879907533.db2.gz SSODPKCIFOHWBV-ZDUSSCGKSA-N 0 1 380.441 3.769 20 5 GHBDMN C[C@H]1CC[C@H](c2ccccc2)N(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC001170160756 880777718 /nfs/dbraw/zinc/77/77/18/880777718.db2.gz IQALTGRZKQHESZ-OXJNMPFZSA-N 0 1 379.460 3.957 20 5 GHBDMN CCn1cc([C@H](O)CN(Cc2ccccc2)Cc2cccc([N+](=O)[O-])c2C)cn1 ZINC000792363513 881056916 /nfs/dbraw/zinc/05/69/16/881056916.db2.gz AGRIOBVVHDBNJR-JOCHJYFZSA-N 0 1 394.475 3.855 20 5 GHBDMN CCCCc1nc(C(=O)OCC)c(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])[nH]1 ZINC000792555564 881189505 /nfs/dbraw/zinc/18/95/05/881189505.db2.gz MJSSLHRELHKRKM-UHFFFAOYSA-N 0 1 394.815 3.743 20 5 GHBDMN Cc1c(Cl)cc(S(=O)(=O)Nc2ccc(-c3ncc[nH]3)cc2)cc1[N+](=O)[O-] ZINC000476937881 883436592 /nfs/dbraw/zinc/43/65/92/883436592.db2.gz HDQCINCMQCKOOJ-UHFFFAOYSA-N 0 1 392.824 3.748 20 5 GHBDMN Cc1ccc(CN[C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)cc1[N+](=O)[O-] ZINC000609616202 883460386 /nfs/dbraw/zinc/46/03/86/883460386.db2.gz KHTDOVBKEPAKTE-INIZCTEOSA-N 0 1 393.365 3.817 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2nnc(CN(CCc3ccc(F)cc3)C3CC3)o2)cc1 ZINC000609744399 883601191 /nfs/dbraw/zinc/60/11/91/883601191.db2.gz GREIREQLZJFPAP-UHFFFAOYSA-N 0 1 382.395 3.991 20 5 GHBDMN O=C(c1cccc([N+](=O)[O-])c1)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000272219608 884801423 /nfs/dbraw/zinc/80/14/23/884801423.db2.gz KJHUNSOKSSDBSG-INIZCTEOSA-N 0 1 383.452 3.780 20 5 GHBDMN Cc1[nH]ncc1CCCNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000121868956 885391691 /nfs/dbraw/zinc/39/16/91/885391691.db2.gz VALKVEGDMSBKPB-UHFFFAOYSA-N 0 1 379.420 3.733 20 5 GHBDMN COc1ccccc1[C@H](CNC(=O)c1c(C)cccc1[N+](=O)[O-])N1CCCCC1 ZINC000193353911 885670431 /nfs/dbraw/zinc/67/04/31/885670431.db2.gz OGSVBPJTBQSBEH-IBGZPJMESA-N 0 1 397.475 3.869 20 5 GHBDMN Cc1ccc(NC(=O)c2ccc(N3CC[N@H+](C)CC[C@@H]3C)c([N+](=O)[O-])c2)cc1 ZINC000498936443 886138886 /nfs/dbraw/zinc/13/88/86/886138886.db2.gz HIZBHJYPEYRQFX-INIZCTEOSA-N 0 1 382.464 3.686 20 5 GHBDMN CCc1[nH]nc(C(=O)N(CCc2ccc(OC)cc2)CC(C)(C)C)c1[N+](=O)[O-] ZINC000192581753 886675698 /nfs/dbraw/zinc/67/56/98/886675698.db2.gz JYGBXYNHQPOFLJ-UHFFFAOYSA-N 0 1 388.468 3.620 20 5 GHBDMN O=[N+]([O-])c1ccc(OC2CCN(C[C@H](O)c3ccccc3Cl)CC2)cc1 ZINC000174802651 887050179 /nfs/dbraw/zinc/05/01/79/887050179.db2.gz FCBCBVBIZUFPAV-IBGZPJMESA-N 0 1 376.840 3.825 20 5 GHBDMN CC(C)(CO)[C@@H](NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cccs1 ZINC000809569270 887548739 /nfs/dbraw/zinc/54/87/39/887548739.db2.gz WAQNUIKROIJKCY-INIZCTEOSA-N 0 1 397.884 3.598 20 5 GHBDMN COc1ccc(C[C@@H](C)CN(C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1 ZINC000153325730 887648408 /nfs/dbraw/zinc/64/84/08/887648408.db2.gz TZGYKUDWHQTHMZ-OAHLLOKOSA-N 0 1 396.447 3.964 20 5 GHBDMN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H](CN(C)C)c2ccc(Cl)c(Cl)c2)n1 ZINC001131953076 887997654 /nfs/dbraw/zinc/99/76/54/887997654.db2.gz FMSGYYUVCIFBSD-MRXNPFEDSA-N 0 1 397.262 3.638 20 5 GHBDMN CC[C@@H](CC(C)C)C(=O)N(C)c1cc([N+](=O)[O-])cc(N2CCN(CC)CC2)c1 ZINC001132058338 888134967 /nfs/dbraw/zinc/13/49/67/888134967.db2.gz FFIROUGIWAWXTQ-KRWDZBQOSA-N 0 1 390.528 3.772 20 5 GHBDMN O=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000130198438 888527100 /nfs/dbraw/zinc/52/71/00/888527100.db2.gz CMDVNJCSOLKDPI-UHFFFAOYSA-N 0 1 396.422 3.610 20 5 GHBDMN CCN1C(=O)c2ccc(Cl)cc2N[C@H]1c1cc(OC)c(O)c([N+](=O)[O-])c1 ZINC000054701788 889515092 /nfs/dbraw/zinc/51/50/92/889515092.db2.gz CNSYHJZJKJPGMJ-MRXNPFEDSA-N 0 1 377.784 3.549 20 5 GHBDMN CC(C)C[C@@H](CNCc1nc2cc([N+](=O)[O-])ccc2[nH]1)NC(=O)OC(C)(C)C ZINC000811495991 889646085 /nfs/dbraw/zinc/64/60/85/889646085.db2.gz NYVRCVGDNMOSQM-ZDUSSCGKSA-N 0 1 391.472 3.500 20 5 GHBDMN CN(CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1cccc2ccccc21 ZINC000533240862 890052388 /nfs/dbraw/zinc/05/23/88/890052388.db2.gz IPWNEKHEPDOWFO-UHFFFAOYSA-N 0 1 375.428 3.769 20 5 GHBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)N[C@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC001212217284 890503928 /nfs/dbraw/zinc/50/39/28/890503928.db2.gz RRWRNMGZOQQKKJ-HIFRSBDPSA-N 0 1 395.868 3.648 20 5 GHBDMN C[C@@H](CN[C@H](C)c1c(F)cccc1[N+](=O)[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000872091435 891150357 /nfs/dbraw/zinc/15/03/57/891150357.db2.gz HNUGFMQOTIMBIM-QWHCGFSZSA-N 0 1 380.441 3.592 20 5 GHBDMN C[C@@H](NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1nc(C(C)(C)C)cs1 ZINC000106893030 892409929 /nfs/dbraw/zinc/40/99/29/892409929.db2.gz LRGCDMPZIZWIJQ-SECBINFHSA-N 0 1 387.458 3.527 20 5 GHBDMN O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N[C@H](c1ccccc1)C(F)F ZINC000814285456 892491523 /nfs/dbraw/zinc/49/15/23/892491523.db2.gz INSQYOXYKASDMO-CYBMUJFWSA-N 0 1 376.768 3.533 20 5 GHBDMN C[C@H]1CN(C)C[C@H](C)N1C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000533777669 892940157 /nfs/dbraw/zinc/94/01/57/892940157.db2.gz FSDGRNGFEXKQBS-GJZGRUSLSA-N 0 1 385.489 3.911 20 5 GHBDMN O=C(OCc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1c(F)cc(O)cc1F ZINC000815212447 893618019 /nfs/dbraw/zinc/61/80/19/893618019.db2.gz QNTQSCVJUPBVJS-UHFFFAOYSA-N 0 1 377.221 3.954 20 5 GHBDMN C[C@@H]1CN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[C@@H](C(F)(F)F)O1 ZINC000877822775 893834025 /nfs/dbraw/zinc/83/40/25/893834025.db2.gz ILNRSGCEKRWBON-WBMJQRKESA-N 0 1 398.385 3.537 20 5 GHBDMN COc1cccc(C[C@@H]2CCCN2Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)c1 ZINC000877984294 893928694 /nfs/dbraw/zinc/92/86/94/893928694.db2.gz FQPMQTKGMJTHPP-INIZCTEOSA-N 0 1 394.431 3.861 20 5 GHBDMN COc1ccc(CCCN(C)Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000877989336 893932321 /nfs/dbraw/zinc/93/23/21/893932321.db2.gz YFSXNRRKFHWHNA-UHFFFAOYSA-N 0 1 382.420 3.718 20 5 GHBDMN COC[C@@H]1CCCC[N@@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC000878440957 894292888 /nfs/dbraw/zinc/29/28/88/894292888.db2.gz NRHWGYXPDBNEOU-GFCCVEGCSA-N 0 1 380.832 3.547 20 5 GHBDMN COC[C@@H]1CCCCN(Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC000878440957 894292900 /nfs/dbraw/zinc/29/29/00/894292900.db2.gz NRHWGYXPDBNEOU-GFCCVEGCSA-N 0 1 380.832 3.547 20 5 GHBDMN O=[N+]([O-])c1ccc2[nH]cc(CCN[C@H](c3ccc(F)cc3)c3cnccn3)c2c1 ZINC000564147544 894647833 /nfs/dbraw/zinc/64/78/33/894647833.db2.gz HOXGBHDMHNZNOX-OAQYLSRUSA-N 0 1 391.406 3.927 20 5 GHBDMN Cc1cc(N2CCC[C@@H](N3CCOCC3)CC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000564469843 895018082 /nfs/dbraw/zinc/01/80/82/895018082.db2.gz INKKHNBSCOTDBF-CQSZACIVSA-N 0 1 387.402 3.613 20 5 GHBDMN Cc1cccc(C(=O)Nc2ccc3oc(CN4CCCC4)nc3c2)c1[N+](=O)[O-] ZINC000816765108 895058254 /nfs/dbraw/zinc/05/82/54/895058254.db2.gz RKGATAUZAUOOIC-UHFFFAOYSA-N 0 1 380.404 3.893 20 5 GHBDMN O=C([O-])c1ccc(OCC[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c(Cl)c1 ZINC000564578527 895096424 /nfs/dbraw/zinc/09/64/24/895096424.db2.gz WUJURIALJDHDCE-UHFFFAOYSA-N 0 1 390.823 3.990 20 5 GHBDMN O=C([O-])c1ccc(OCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c(Cl)c1 ZINC000564578527 895096439 /nfs/dbraw/zinc/09/64/39/895096439.db2.gz WUJURIALJDHDCE-UHFFFAOYSA-N 0 1 390.823 3.990 20 5 GHBDMN O=C(CN[C@@H]1CC=CC[C@H]1C(F)(F)F)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000879669556 895217183 /nfs/dbraw/zinc/21/71/83/895217183.db2.gz RVBGIBJPFBUJGZ-GHMZBOCLSA-N 0 1 377.750 3.673 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CC[C@]4(CCc5ccccc54)C3)o2)cc1 ZINC000879994884 895437331 /nfs/dbraw/zinc/43/73/31/895437331.db2.gz PFXFFJHJENOOPL-OAQYLSRUSA-N 0 1 376.416 3.735 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2nnc(CN3CC[C@]4(CCc5ccccc54)C3)o2)cc1 ZINC000879994884 895437336 /nfs/dbraw/zinc/43/73/36/895437336.db2.gz PFXFFJHJENOOPL-OAQYLSRUSA-N 0 1 376.416 3.735 20 5 GHBDMN Cc1nccn1-c1ccc([C@H](C)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000565460637 895647298 /nfs/dbraw/zinc/64/72/98/895647298.db2.gz QFMRKLIWPIKQST-ZDUSSCGKSA-N 0 1 376.420 3.816 20 5 GHBDMN O=[N+]([O-])c1cccc([C@H](O)CN2CCC(Oc3ccccc3Cl)CC2)c1 ZINC000128784148 896116130 /nfs/dbraw/zinc/11/61/30/896116130.db2.gz NUDJWRQMGZTJKI-GOSISDBHSA-N 0 1 376.840 3.825 20 5 GHBDMN O=[N+]([O-])c1ccc2oc(=S)n(CN3CCN(CCc4ccccc4)CC3)c2c1 ZINC000028812688 897929539 /nfs/dbraw/zinc/92/95/39/897929539.db2.gz HRCOOUNXVXEFEE-UHFFFAOYSA-N 0 1 398.488 3.690 20 5 GHBDMN O=C([O-])[C@@]1(c2ccccc2)CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000569228620 898446580 /nfs/dbraw/zinc/44/65/80/898446580.db2.gz CXMTVPKJQVWKSO-SFHVURJKSA-N 0 1 394.349 3.842 20 5 GHBDMN CCOc1ccc(C(=O)Nc2[nH]nc(-c3ccncc3)c2CC)cc1[N+](=O)[O-] ZINC001136611199 898535920 /nfs/dbraw/zinc/53/59/20/898535920.db2.gz DCXQHMAQEJPWTA-UHFFFAOYSA-N 0 1 381.392 3.593 20 5 GHBDMN COc1ccc([C@@H](CNc2ccc([N+](=O)[O-])c(C(C)=O)c2)N(C)C)cc1OC ZINC000569637646 898840806 /nfs/dbraw/zinc/84/08/06/898840806.db2.gz TUCQRUSDZKRZFY-GOSISDBHSA-N 0 1 387.436 3.529 20 5 GHBDMN CC(C)c1nc([C@H]2CCCCN2C(=O)c2ccc(Cl)cc2[N+](=O)[O-])n[nH]1 ZINC000331894787 899249329 /nfs/dbraw/zinc/24/93/29/899249329.db2.gz GXMUCKVKXPDUBD-CYBMUJFWSA-N 0 1 377.832 3.857 20 5 GHBDMN COc1cc(CNC[C@@H]2CC[C@H](C)O2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC001202690800 899325030 /nfs/dbraw/zinc/32/50/30/899325030.db2.gz DGHHPRFALXUBST-YJBOKZPZSA-N 0 1 386.448 3.840 20 5 GHBDMN Cc1c(NC(=O)CCN(Cc2ccccc2[N+](=O)[O-])C2CC2)cccc1[N+](=O)[O-] ZINC000135221195 900204043 /nfs/dbraw/zinc/20/40/43/900204043.db2.gz RRUHQLIMPDUGFL-UHFFFAOYSA-N 0 1 398.419 3.805 20 5 GHBDMN C[C@H](c1ccccc1)[N@H+]1CC[C@H](Nc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000844207238 900601976 /nfs/dbraw/zinc/60/19/76/900601976.db2.gz DKQWJBNQLGCEGO-LCBOHDIASA-N 0 1 381.432 3.940 20 5 GHBDMN O=[N+]([O-])c1ccc(CN[C@H]2c3ccccc3CC23CCOCC3)c([N+](=O)[O-])c1 ZINC000290059189 914502528 /nfs/dbraw/zinc/50/25/28/914502528.db2.gz DZZQBGKLLANMSG-IBGZPJMESA-N 0 1 383.404 3.687 20 5 GHBDMN Cn1cc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000575139508 901130250 /nfs/dbraw/zinc/13/02/50/901130250.db2.gz HHMDHECPAIBSOA-OAHLLOKOSA-N 0 1 387.827 3.830 20 5 GHBDMN CC[C@@H](N[C@H](C)c1ccc(S(C)(=O)=O)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000124099179 902024435 /nfs/dbraw/zinc/02/44/35/902024435.db2.gz LQFJDHRVHNFUMI-SJKOYZFVSA-N 0 1 380.441 3.939 20 5 GHBDMN CCCCCCNC(=O)[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000778942886 902044504 /nfs/dbraw/zinc/04/45/04/902044504.db2.gz SUJWQMZATLRDON-QGZVFWFLSA-N 0 1 377.485 3.512 20 5 GHBDMN C[C@@H]1C[N@@H+](Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CC[C@H]1C(=O)[O-] ZINC000600798359 902931958 /nfs/dbraw/zinc/93/19/58/902931958.db2.gz ALNBZKCGHNBLCF-CRAIPNDOSA-N 0 1 383.448 3.905 20 5 GHBDMN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000132672822 903293157 /nfs/dbraw/zinc/29/31/57/903293157.db2.gz ZQVVRICTJAGDIF-LLVKDONJSA-N 0 1 390.831 3.655 20 5 GHBDMN Cc1c(NC(=O)[C@@H](C)N2CC[C@@H](Cc3ccc(F)cc3)C2)cccc1[N+](=O)[O-] ZINC000579057514 904319625 /nfs/dbraw/zinc/31/96/25/904319625.db2.gz XLLHAUHMTTVOAU-WBVHZDCISA-N 0 1 385.439 3.934 20 5 GHBDMN CC[C@@H](NCc1cccc(NC(=O)[C@@H]2CCCO2)c1)c1cccc([N+](=O)[O-])c1 ZINC000153420973 904361775 /nfs/dbraw/zinc/36/17/75/904361775.db2.gz FOONXSGIUROMEX-UXHICEINSA-N 0 1 383.448 3.953 20 5 GHBDMN CC(C)(C)OC(=O)NCc1ccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1 ZINC000779127416 904419086 /nfs/dbraw/zinc/41/90/86/904419086.db2.gz LRDXJNDDSAVOEL-UHFFFAOYSA-N 0 1 387.392 3.577 20 5 GHBDMN C[C@@H]1CN(C(=O)c2ccccc2)CCN1[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172913875 905983630 /nfs/dbraw/zinc/98/36/30/905983630.db2.gz VDQKHCHYUQMIPQ-UTKZUKDTSA-N 0 1 393.487 3.689 20 5 GHBDMN Cc1nc([C@@H]2CCCCN2c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)n[nH]1 ZINC000509525559 905991649 /nfs/dbraw/zinc/99/16/49/905991649.db2.gz IEMKIDXHEFYFTF-INIZCTEOSA-N 0 1 382.399 3.954 20 5 GHBDMN NCc1nc2ccccc2n1C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173005106 906079007 /nfs/dbraw/zinc/07/90/07/906079007.db2.gz BVKOHCRNRCRORT-UHFFFAOYSA-N 0 1 387.390 3.523 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CC[C@@H](CC(=O)OC(C)(C)C)C2)c1F ZINC001173191287 906273110 /nfs/dbraw/zinc/27/31/10/906273110.db2.gz BJZQDJZNQYTWME-KBPBESRZSA-N 0 1 396.459 3.727 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CCC[C@H]2CC(=O)OC(C)(C)C)c1F ZINC001173192077 906276193 /nfs/dbraw/zinc/27/61/93/906276193.db2.gz HZYLEBOUPCUDLV-KBPBESRZSA-N 0 1 396.459 3.870 20 5 GHBDMN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCO[C@H]2[C@H](OCC3CCCC3)CC[C@@H]21 ZINC001173221772 906299822 /nfs/dbraw/zinc/29/98/22/906299822.db2.gz MBZKMFSYYAMRFG-IDZYALCFSA-N 0 1 388.508 3.964 20 5 GHBDMN O=[N+]([O-])c1cc(-c2nc(-c3ncccc3/C=C/N3CCCC3)no2)cnc1Cl ZINC001212740983 906535582 /nfs/dbraw/zinc/53/55/82/906535582.db2.gz CGQDPBIPIMJINV-WEVVVXLNSA-N 0 1 398.810 3.822 20 5 GHBDMN COc1ccc(CNCc2ccccc2OCc2ccccn2)cc1[N+](=O)[O-] ZINC001177733327 908731911 /nfs/dbraw/zinc/73/19/11/908731911.db2.gz KEERYCBLWMMTSU-UHFFFAOYSA-N 0 1 379.416 3.867 20 5 GHBDMN CN1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)C(C)(C)C1 ZINC001178708621 909201365 /nfs/dbraw/zinc/20/13/65/909201365.db2.gz FWCKXBFDGIRZIS-SFHVURJKSA-N 0 1 391.537 3.947 20 5 GHBDMN Cc1ccc(C(=O)NC2CCN(Cc3c(C)ccc([N+](=O)[O-])c3C)CC2)s1 ZINC001179993324 909858937 /nfs/dbraw/zinc/85/89/37/909858937.db2.gz JKTUMGGYVACXOK-UHFFFAOYSA-N 0 1 387.505 3.976 20 5 GHBDMN COc1c(O)ccc(CN2CCC[C@@H](N(C)c3ccc(C)cc3)C2)c1[N+](=O)[O-] ZINC001181515363 910838445 /nfs/dbraw/zinc/83/84/45/910838445.db2.gz TZCSAWIEBKVHHC-GOSISDBHSA-N 0 1 385.464 3.718 20 5 GHBDMN COC[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000901866524 921657197 /nfs/dbraw/zinc/65/71/97/921657197.db2.gz WKSJWGXKUQKMTI-LJQANCHMSA-N 0 1 390.461 3.637 20 5 GHBDMN O=C(Nc1nc(-c2ccc(Cl)cc2)n[nH]1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001182525448 911853397 /nfs/dbraw/zinc/85/33/97/911853397.db2.gz OQDCCICLJFSSRQ-LSDHHAIUSA-N 0 1 383.795 3.776 20 5 GHBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)[C@@H]1CC[C@@H]1c1ccc(F)cc1 ZINC001182600133 911914279 /nfs/dbraw/zinc/91/42/79/911914279.db2.gz KCADFEQXQLNRRF-HZPDHXFCSA-N 0 1 381.367 3.651 20 5 GHBDMN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000303828004 915157847 /nfs/dbraw/zinc/15/78/47/915157847.db2.gz LAOVVYGWIDRGLZ-OAHLLOKOSA-N 0 1 387.867 3.985 20 5 GHBDMN O=C(N[C@H]1CCCN(c2ccccc2Cl)C1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000303956553 915323391 /nfs/dbraw/zinc/32/33/91/915323391.db2.gz VCTTWWUWZRZLKV-LBPRGKRZSA-N 0 1 399.838 3.523 20 5 GHBDMN CC(C)CCOC1CCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)CC1 ZINC000294350605 916756936 /nfs/dbraw/zinc/75/69/36/916756936.db2.gz FVXCWTHOKMCMGI-UHFFFAOYSA-N 0 1 386.452 3.652 20 5 GHBDMN O=C(Nc1nc(C2CCOCC2)cs1)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000295335171 917273609 /nfs/dbraw/zinc/27/36/09/917273609.db2.gz NAAJCNBABXEHAA-UHFFFAOYSA-N 0 1 399.432 3.588 20 5 GHBDMN C[C@@H](N[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)[C@H](C)CO ZINC000295800823 917508271 /nfs/dbraw/zinc/50/82/71/917508271.db2.gz SLTMXOVHJSXCEM-VFVRVIDISA-N 0 1 391.855 3.535 20 5 GHBDMN COc1ccc(-c2ccc(CN[C@H]3c4ccccc4C[C@H]3O)o2)c([N+](=O)[O-])c1 ZINC000119189845 919610409 /nfs/dbraw/zinc/61/04/09/919610409.db2.gz FWRRYXPJSYPDBO-CTNGQTDRSA-N 0 1 380.400 3.611 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000119803210 919657448 /nfs/dbraw/zinc/65/74/48/919657448.db2.gz UXLHNYYAGBNYHM-UHFFFAOYSA-N 0 1 385.785 3.574 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2ccc(CN[C@H](c3nnc[nH]3)c3ccccc3)o2)c1 ZINC000368622632 922779398 /nfs/dbraw/zinc/77/93/98/922779398.db2.gz NPENXKHDUBYRAJ-IBGZPJMESA-N 0 1 375.388 3.852 20 5 GHBDMN CC(C)c1nc2c([nH]1)CC[C@H](C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C)C2 ZINC000372446449 925435823 /nfs/dbraw/zinc/43/58/23/925435823.db2.gz LWUJKAZGJXATOS-INIZCTEOSA-N 0 1 384.480 3.983 20 5 GHBDMN C[C@@H]1CN(Cc2ccc(CNC(=O)Nc3cccc([N+](=O)[O-])c3)cc2)C[C@@H](C)O1 ZINC000410368028 925589768 /nfs/dbraw/zinc/58/97/68/925589768.db2.gz SOGOTAJNVIDWBA-HZPDHXFCSA-N 0 1 398.463 3.526 20 5 GHBDMN COc1ccc(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2F)c([N+](=O)[O-])c1 ZINC000410423885 925631068 /nfs/dbraw/zinc/63/10/68/925631068.db2.gz ZWRLUNXWHIGASM-UHFFFAOYSA-N 0 1 395.195 3.850 20 5 GHBDMN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000726601886 926755773 /nfs/dbraw/zinc/75/57/73/926755773.db2.gz SYYGCOXEHYXBRS-CRAIPNDOSA-N 0 1 393.484 3.741 20 5 GHBDMN Cc1ccc(C=Cc2n[nH]c(SCC(=O)Nc3c(C)cccc3[N+](=O)[O-])n2)o1 ZINC000012839673 927947884 /nfs/dbraw/zinc/94/78/84/927947884.db2.gz OIZWBPMFTLLHJW-CMDGGOBGSA-N 0 1 399.432 3.824 20 5 GHBDMN CC1CCN(c2nnc(SCc3cc(O)ccc3[N+](=O)[O-])n2C2CC2)CC1 ZINC000412984114 928070266 /nfs/dbraw/zinc/07/02/66/928070266.db2.gz BPPFDPXRJKQRHO-UHFFFAOYSA-N 0 1 389.481 3.755 20 5 GHBDMN C/C(=C/C(=O)Nc1ccccc1CN1CCC(O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000752693321 928983149 /nfs/dbraw/zinc/98/31/49/928983149.db2.gz MHORFHJYPISGRS-PEZBUJJGSA-N 0 1 395.459 3.594 20 5 GHBDMN O=C(OC[C@@H]1CCCN(Cc2cc(F)ccc2F)C1)c1ccccc1[N+](=O)[O-] ZINC000757892261 929841874 /nfs/dbraw/zinc/84/18/74/929841874.db2.gz SWMSFCVHUXKJNP-CQSZACIVSA-N 0 1 390.386 3.942 20 5 GHBDMN C[C@@H](CNC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CCCCC1 ZINC000780414725 930511774 /nfs/dbraw/zinc/51/17/74/930511774.db2.gz FDZFUTLEONRXDL-ZDUSSCGKSA-N 0 1 399.441 3.564 20 5 GHBDMN Cc1cc(N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000782960658 931375059 /nfs/dbraw/zinc/37/50/59/931375059.db2.gz VEFWBRZRUUGOSA-OAHLLOKOSA-N 0 1 386.452 3.897 20 5 GHBDMN NC(=O)c1cccc(NC[C@H](c2ccccc2Cl)N2CCCC2)c1[N+](=O)[O-] ZINC000557477746 931459643 /nfs/dbraw/zinc/45/96/43/931459643.db2.gz HCLWTMCIKNTDLL-QGZVFWFLSA-N 0 1 388.855 3.596 20 5 GHBDMN O=[N+]([O-])c1ccc([C@H](O)CSc2nc(-c3ccc4c(c3)CCC4)n[nH]2)cc1 ZINC000783657545 931609846 /nfs/dbraw/zinc/60/98/46/931609846.db2.gz YIAGMUBCOIKCSD-QGZVFWFLSA-N 0 1 382.445 3.694 20 5 GHBDMN Cc1cc(C)cc([C@H]2CCN(Cn3cnc(-c4cccc([N+](=O)[O-])c4)n3)C2)c1 ZINC000784030348 931760937 /nfs/dbraw/zinc/76/09/37/931760937.db2.gz PCHYNINWKLKWKS-SFHVURJKSA-N 0 1 377.448 3.917 20 5 GHBDMN O=C([C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)N1CCc2nc[nH]c2[C@@H]1c1ccccc1 ZINC000827971836 931875106 /nfs/dbraw/zinc/87/51/06/931875106.db2.gz JBJRFJQJYLBFMO-UEXGIBASSA-N 0 1 388.427 3.596 20 5 GHBDMN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(Cc3ccc([N+](=O)[O-])cc3F)C[C@@H]21 ZINC000784504589 931916144 /nfs/dbraw/zinc/91/61/44/931916144.db2.gz AHDVIHWJKFWXTR-QANKJYHBSA-N 0 1 393.459 3.859 20 5 GHBDMN CCc1ccc([C@H](NC[C@@H]2CCN2C2CCOCC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000927105883 932414297 /nfs/dbraw/zinc/41/42/97/932414297.db2.gz VSTDLPRWFWAJRU-SIKLNZKXSA-N 0 1 399.491 3.683 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1CN[C@@H](CNC(=O)OC(C)(C)C)C(C)(C)C ZINC000799202559 932913567 /nfs/dbraw/zinc/91/35/67/932913567.db2.gz VHFZKENROZCMBH-INIZCTEOSA-N 0 1 381.473 3.632 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC000799361828 932970540 /nfs/dbraw/zinc/97/05/40/932970540.db2.gz IDRBFPQKNBZHFB-OAHLLOKOSA-N 0 1 393.484 3.730 20 5 GHBDMN Cc1nccn1-c1ccncc1NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001116337156 933491434 /nfs/dbraw/zinc/49/14/34/933491434.db2.gz GNRHGQPFAPAHCH-UHFFFAOYSA-N 0 1 391.309 3.755 20 5 GHBDMN O=[N+]([O-])c1cc2c(cc1CN1CCC[C@H](c3nc4ccccc4[nH]3)C1)OCCO2 ZINC001116439956 933558520 /nfs/dbraw/zinc/55/85/20/933558520.db2.gz ZQPUTTYLKSFZQB-AWEZNQCLSA-N 0 1 394.431 3.622 20 5 GHBDMN COc1cc(CN(C)[C@H]2CC[C@@H](SC)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC001116505027 933598053 /nfs/dbraw/zinc/59/80/53/933598053.db2.gz AOLDYROMTMKDSN-QWHCGFSZSA-N 0 1 390.452 3.963 20 5 GHBDMN CC(=O)c1ccc(O)c(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)c1 ZINC000777837527 933669171 /nfs/dbraw/zinc/66/91/71/933669171.db2.gz ZMMRGOIHTHGGLE-UHFFFAOYSA-N 0 1 383.404 3.746 20 5 GHBDMN O=C(Nc1cc([N+](=O)[O-])ccc1F)c1c(Br)cccc1[N+](=O)[O-] ZINC001124331364 935375172 /nfs/dbraw/zinc/37/51/72/935375172.db2.gz DPLWBCYMGFZBRT-UHFFFAOYSA-N 0 1 384.117 3.657 20 5 GHBDMN O=C(CCc1c(Cl)cccc1[N+](=O)[O-])NC[C@@H](c1ccco1)N1CCCC1 ZINC001124333370 935375349 /nfs/dbraw/zinc/37/53/49/935375349.db2.gz FARQOYGCFXAFHO-KRWDZBQOSA-N 0 1 391.855 3.727 20 5 GHBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2C[C@@H](C)C[C@H](C(=O)[O-])C2)cc1OC ZINC001589459095 954857515 /nfs/dbraw/zinc/85/75/15/954857515.db2.gz VZRZLXDXUZXTMJ-DZKIICNBSA-N 0 1 394.468 3.571 20 5 GHBDMN C[N@@H+](Cc1ccccc1)C1(CNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CCC1 ZINC000577757092 974842380 /nfs/dbraw/zinc/84/23/80/974842380.db2.gz KILLBYJOSNBBSY-UHFFFAOYSA-N 0 1 383.448 3.689 20 5 GHBDMN CCC[N@H+](Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)Cc1ccc(F)cc1F ZINC001595899174 982948411 /nfs/dbraw/zinc/94/84/11/982948411.db2.gz GKNHITDVINMAPW-UHFFFAOYSA-N 0 1 394.374 3.749 20 5 GHBDMN CCC[N@@H+](Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)Cc1ccc(F)cc1F ZINC001595899174 982948413 /nfs/dbraw/zinc/94/84/13/982948413.db2.gz GKNHITDVINMAPW-UHFFFAOYSA-N 0 1 394.374 3.749 20 5 GHBDMN O=[N+]([O-])c1cccnc1S(=O)(=O)N[C@H](CC1CCCC1)c1ccccc1 ZINC001188451814 1014971236 /nfs/dbraw/zinc/97/12/36/1014971236.db2.gz VMCFAGVZZJICLW-MRXNPFEDSA-N 0 1 375.450 3.590 20 5 GHBDMN CSc1nc(O[C@@H](C)c2ccccc2OC(F)(F)F)c([N+](=O)[O-])c(=O)[nH]1 ZINC001227627746 1032491351 /nfs/dbraw/zinc/49/13/51/1032491351.db2.gz ISSCETJWZPCJTE-ZETCQYMHSA-N 0 1 391.327 3.851 20 5 GHBDMN O=C(CN[C@H](CCO)c1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000558147721 1017126253 /nfs/dbraw/zinc/12/62/53/1017126253.db2.gz YRGOSMXOVVTRRD-OAHLLOKOSA-N 0 1 398.246 3.553 20 5 GHBDMN C[C@H](c1nc(-c2ccccc2N2CCN(C)CC2)no1)c1cccc([N+](=O)[O-])c1 ZINC000561886053 1017969048 /nfs/dbraw/zinc/96/90/48/1017969048.db2.gz RQQNMHFXOZBRKM-HNNXBMFYSA-N 0 1 393.447 3.548 20 5 GHBDMN CCN(CC)[C@H](C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccccc1 ZINC000562213987 1018074430 /nfs/dbraw/zinc/07/44/30/1018074430.db2.gz MYRRMEWKYCTJNI-NRFANRHFSA-N 0 1 394.475 3.818 20 5 GHBDMN O=c1nc2cc([N+](=O)[O-])ccc2c(O[C@@H](c2ccccc2)C2CCOCC2)[nH]1 ZINC001228241468 1032858796 /nfs/dbraw/zinc/85/87/96/1032858796.db2.gz CEYMHSWOQAFIEL-SFHVURJKSA-N 0 1 381.388 3.790 20 5 GHBDMN O=[N+]([O-])c1ccc(CN(Cc2ccc(-n3cncn3)cc2)C2CC2)cc1Cl ZINC000802659455 1021517495 /nfs/dbraw/zinc/51/74/95/1021517495.db2.gz OVXCBTXSNJJRPL-UHFFFAOYSA-N 0 1 383.839 3.994 20 5 GHBDMN COc1ccc(COC(=O)c2ccc(-c3nnc(C4CC4)[nH]3)cc2)cc1[N+](=O)[O-] ZINC000748899423 1021728581 /nfs/dbraw/zinc/72/85/81/1021728581.db2.gz WNJDTWMBOXQKTC-UHFFFAOYSA-N 0 1 394.387 3.623 20 5 GHBDMN CC(C)(CCC(=O)Nc1ccc(-c2n[nH]c(-c3ccccc3)n2)cc1)[N+](=O)[O-] ZINC000827159625 1021922852 /nfs/dbraw/zinc/92/28/52/1021922852.db2.gz HJZZUSLFGAFMTL-UHFFFAOYSA-N 0 1 379.420 3.913 20 5 GHBDMN CC(C)(CCC(=O)Nc1ccc(-c2nc(-c3ccccc3)n[nH]2)cc1)[N+](=O)[O-] ZINC000827159625 1021922855 /nfs/dbraw/zinc/92/28/55/1021922855.db2.gz HJZZUSLFGAFMTL-UHFFFAOYSA-N 0 1 379.420 3.913 20 5 GHBDMN CCOc1cc(CN2CC[C@H](NC(=O)OC(C)(C)C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000755066255 1023057309 /nfs/dbraw/zinc/05/73/09/1023057309.db2.gz PJURCXVOKCPGBR-ZBFHGGJFSA-N 0 1 393.484 3.871 20 5 GHBDMN CCN(CC)[C@@H](C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 ZINC000756994431 1023902327 /nfs/dbraw/zinc/90/23/27/1023902327.db2.gz WCUUVVAQNURPHL-GOSISDBHSA-N 0 1 375.856 3.948 20 5 GHBDMN Cc1cc2[nH]ncc2cc1NC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC001138211431 1024373183 /nfs/dbraw/zinc/37/31/83/1024373183.db2.gz BKYLDZQDJCTVDN-UHFFFAOYSA-N 0 1 389.209 3.723 20 5 GHBDMN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837383854 1024401402 /nfs/dbraw/zinc/40/14/02/1024401402.db2.gz GIVWNWFFGASCMN-UHFFFAOYSA-N 0 1 396.403 3.860 20 5 GHBDMN COC(=O)c1c(O[C@@H]2CCN(Cc3ccc(Cl)cc3)C2)cccc1[N+](=O)[O-] ZINC001229049487 1033250666 /nfs/dbraw/zinc/25/06/66/1033250666.db2.gz BQEWHJXFYXQZCX-OAHLLOKOSA-N 0 1 390.823 3.688 20 5 GHBDMN O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N[C@H]1CCCC[C@H]1CC(F)(F)F ZINC000831949065 1025052484 /nfs/dbraw/zinc/05/24/84/1025052484.db2.gz OXEFNIVIYYTZAL-ONGXEEELSA-N 0 1 384.351 3.523 20 5 GHBDMN CN(C(=O)c1cc([N+](=O)[O-])ccc1Cl)C1CCN(CCC(F)(F)F)CC1 ZINC000839439627 1025928985 /nfs/dbraw/zinc/92/89/85/1025928985.db2.gz CCRIIMQIJFSJTA-UHFFFAOYSA-N 0 1 393.793 3.737 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)c(N2CCC(CCN3CCOCC3)CC2)c(Cl)c1 ZINC001163311334 1026136305 /nfs/dbraw/zinc/13/63/05/1026136305.db2.gz HEAFZWLWEAQFTI-UHFFFAOYSA-N 0 1 388.295 3.840 20 5 GHBDMN O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1NCc1nnc([C@H]2CCOC2)[nH]1 ZINC001163721422 1026294599 /nfs/dbraw/zinc/29/45/99/1026294599.db2.gz IJEIXXBGYLEJFN-ZETCQYMHSA-N 0 1 391.737 3.501 20 5 GHBDMN O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1NCc1n[nH]c([C@H]2CCOC2)n1 ZINC001163721422 1026294610 /nfs/dbraw/zinc/29/46/10/1026294610.db2.gz IJEIXXBGYLEJFN-ZETCQYMHSA-N 0 1 391.737 3.501 20 5 GHBDMN Cc1cc([N+](=O)[O-])cnc1N1CC(c2ncn3cc(-c4ccoc4)ccc23)C1 ZINC001166495514 1027014049 /nfs/dbraw/zinc/01/40/49/1027014049.db2.gz MUWCLKJZTVOKGV-UHFFFAOYSA-N 0 1 375.388 3.810 20 5 GHBDMN COc1ccc(NC(=O)[C@@H](C)N[C@@H](C)c2ccc(Cl)s2)c([N+](=O)[O-])c1 ZINC000183006715 1029223969 /nfs/dbraw/zinc/22/39/69/1029223969.db2.gz JXAAHMANCWXYBJ-VHSXEESVSA-N 0 1 383.857 3.996 20 5 GHBDMN CC[C@H](c1ccccc1)N1CCN(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC001216101294 1029524287 /nfs/dbraw/zinc/52/42/87/1029524287.db2.gz KTDRGRIYCLSSAR-GOSISDBHSA-N 0 1 398.463 3.904 20 5 GHBDMN COc1cc([N+](=O)[O-])c(-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)cc1O ZINC001216343417 1029609550 /nfs/dbraw/zinc/60/95/50/1029609550.db2.gz BGKFKQRKRRRGJZ-UHFFFAOYSA-N 0 1 397.265 3.925 20 5 GHBDMN COC(=O)c1cccc([N+](=O)[O-])c1CO[C@@H]1CCCN([C@@H](C)c2ccccn2)C1 ZINC001222777263 1030304750 /nfs/dbraw/zinc/30/47/50/1030304750.db2.gz GXGZNFQJZWVOQO-JKSUJKDBSA-N 0 1 399.447 3.519 20 5 GHBDMN O=C(Cc1cccc(F)c1[N+](=O)[O-])Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1 ZINC001150106042 1030400364 /nfs/dbraw/zinc/40/03/64/1030400364.db2.gz HUZRCTUAGCLBIK-INIZCTEOSA-N 0 1 384.367 3.643 20 5 GHBDMN O=[N+]([O-])c1cc(CO[C@@H]2CC[N@@H+](Cc3ccccc3Cl)C2)cc([N+](=O)[O-])c1 ZINC001223490273 1030601855 /nfs/dbraw/zinc/60/18/55/1030601855.db2.gz RNSBPYMRUOYUTI-QGZVFWFLSA-N 0 1 391.811 3.948 20 5 GHBDMN O=[N+]([O-])c1cc(CO[C@@H]2CCN(Cc3ccccc3Cl)C2)cc([N+](=O)[O-])c1 ZINC001223490273 1030601871 /nfs/dbraw/zinc/60/18/71/1030601871.db2.gz RNSBPYMRUOYUTI-QGZVFWFLSA-N 0 1 391.811 3.948 20 5 GHBDMN COC(=O)c1cc(CO[C@@H]2CCCN([C@@H](C)c3ccccn3)C2)cc([N+](=O)[O-])c1 ZINC001223692220 1030706878 /nfs/dbraw/zinc/70/68/78/1030706878.db2.gz ZGWRNDYTBXIAGT-HNAYVOBHSA-N 0 1 399.447 3.519 20 5 GHBDMN Cc1ccc(C(=O)c2cc([O-])c(O[C@H]3CC[NH2+]C4(CCC4)C3)c([N+](=O)[O-])c2)cc1 ZINC001218306269 1030881717 /nfs/dbraw/zinc/88/17/17/1030881717.db2.gz IMVWKCXVEZJGGX-KRWDZBQOSA-N 0 1 396.443 3.893 20 5 GHBDMN O=[N+]([O-])c1ccc(CO[C@H]2CCN(Cc3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 ZINC001224102541 1030885630 /nfs/dbraw/zinc/88/56/30/1030885630.db2.gz ZFOSULJEZABZQW-KRWDZBQOSA-N 0 1 391.811 3.948 20 5 GHBDMN CCCc1[nH]nc(C(=O)N2CCC[C@H](c3ccccc3OC)CC2)c1[N+](=O)[O-] ZINC001152845315 1031377392 /nfs/dbraw/zinc/37/73/92/1031377392.db2.gz ORHKOVLGKFDIFN-AWEZNQCLSA-N 0 1 386.452 3.689 20 5 GHBDMN O=C(N[C@H]1CNCc2ccsc21)c1ccc2oc3ccccc3c(=O)c2c1 ZINC001219829405 1031644087 /nfs/dbraw/zinc/64/40/87/1031644087.db2.gz UOHCIAQGMUMNAO-INIZCTEOSA-N 0 1 376.437 3.582 20 5 GHBDMN O=[N+]([O-])c1ccc(O[C@H]2COCCN(Cc3ccccc3)C2)cc1C(F)(F)F ZINC001225919401 1031693645 /nfs/dbraw/zinc/69/36/45/1031693645.db2.gz TYDNKEYYVUZUHJ-MRXNPFEDSA-N 0 1 396.365 3.893 20 5 GHBDMN O=[N+]([O-])c1cc(OC[C@H]2CN(Cc3ccccc3)CCCO2)c(F)cc1F ZINC001226181518 1031836777 /nfs/dbraw/zinc/83/67/77/1031836777.db2.gz QALVLHKRUIBJMK-OAHLLOKOSA-N 0 1 378.375 3.543 20 5 GHBDMN CN(CCc1cccc([N+](=O)[O-])c1)Cc1c(C(F)(F)F)nc2n1CCCC2 ZINC001205503738 1033443357 /nfs/dbraw/zinc/44/33/57/1033443357.db2.gz HPNQZVZCFREAMF-UHFFFAOYSA-N 0 1 382.386 3.821 20 5 GHBDMN O=c1c2ccc([O-])cc2oc2cc(O[C@H]3CC[C@@H]([NH+]4CCOCC4)CC3)ccc12 ZINC001229514515 1033532654 /nfs/dbraw/zinc/53/26/54/1033532654.db2.gz JJZYWXAQPUKQHA-WOVMCDHWSA-N 0 1 395.455 3.674 20 5 GHBDMN COC(=O)c1ccc(C)c([N+](=O)[O-])c1O[C@H]1CCCN([C@@H](C)c2ccccn2)C1 ZINC001229899607 1033782898 /nfs/dbraw/zinc/78/28/98/1033782898.db2.gz NAHXREFKSLYRCZ-HOTGVXAUSA-N 0 1 399.447 3.689 20 5 GHBDMN Cc1cccc2c1C[C@H](NCc1cc(Br)c([N+](=O)[O-])s1)CO2 ZINC001206751831 1033969294 /nfs/dbraw/zinc/96/92/94/1033969294.db2.gz BKDSIDKQCGIYOB-JTQLQIEISA-N 0 1 383.267 3.821 20 5 GHBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC[C@@H](NC(=O)c2ccccc2)C1 ZINC001461916900 1069879869 /nfs/dbraw/zinc/87/98/69/1069879869.db2.gz QPVWWUDCEPCZNR-XMJIKXADSA-N 0 1 379.460 3.893 20 5 GHBDMN C[C@@H]1CCN(Cc2ccc3ccc4cccnc4c3n2)C[C@@]1(O)C(F)(F)F ZINC001232218283 1035167962 /nfs/dbraw/zinc/16/79/62/1035167962.db2.gz FNGJZPSURXBQPZ-YJYMSZOUSA-N 0 1 375.394 3.918 20 5 GHBDMN O=C(N[C@@H]1CCCN(Cc2ccc3ccc4cccnc4c3n2)C1)N1CCCC1 ZINC001232228664 1035172763 /nfs/dbraw/zinc/17/27/63/1035172763.db2.gz UFDVHZFUYWESDU-LJQANCHMSA-N 0 1 389.503 3.553 20 5 GHBDMN O=C(NCc1cn(C(F)F)c2ccccc12)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001462034877 1069959174 /nfs/dbraw/zinc/95/91/74/1069959174.db2.gz DTGUGLCDBYNUKU-UHFFFAOYSA-N 0 1 385.330 3.751 20 5 GHBDMN O=[N+]([O-])c1cc(F)ccc1Cc1nc(-c2ncccc2/C=C/N2CCCC2)no1 ZINC001247470517 1038205195 /nfs/dbraw/zinc/20/51/95/1038205195.db2.gz RECBGRGKHUPTKG-YRNVUSSQSA-N 0 1 395.394 3.836 20 5 GHBDMN CN1CCN(c2ccc(-c3noc(/C=C/c4ccccc4[N+](=O)[O-])n3)cc2)CC1 ZINC001247597566 1038268350 /nfs/dbraw/zinc/26/83/50/1038268350.db2.gz GVRNNJQWRIBNDU-DHZHZOJOSA-N 0 1 391.431 3.567 20 5 GHBDMN CN1CCN(c2ccc(-c3noc(/C=C/c4ccc([N+](=O)[O-])cc4)n3)cc2)CC1 ZINC001247598420 1038269330 /nfs/dbraw/zinc/26/93/30/1038269330.db2.gz SONDBGNEXJMJSM-NYYWCZLTSA-N 0 1 391.431 3.567 20 5 GHBDMN CC(C)=CCc1c(O)cc2oc3ccc(O)cc3c(=O)c2c1O[C@H]1CCOC1=O ZINC001234740338 1040264915 /nfs/dbraw/zinc/26/49/15/1040264915.db2.gz JIDXEACCXRZSRX-KRWDZBQOSA-N 0 1 396.395 3.560 20 5 GHBDMN CC(C)(C)OC(=O)N1CCC[C@]2(CCN2[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254594344 1040368273 /nfs/dbraw/zinc/36/82/73/1040368273.db2.gz QBDVBAWNZWLKGH-NQIIRXRSSA-N 0 1 387.480 3.537 20 5 GHBDMN COc1ccc2nc([C@H](C)NC(=O)c3cccc(SC)c3[N+](=O)[O-])[nH]c2c1 ZINC001296766341 1045368972 /nfs/dbraw/zinc/36/89/72/1045368972.db2.gz BUULKCYCFFIFGF-JTQLQIEISA-N 0 1 386.433 3.693 20 5 GHBDMN O=C(Nc1ccc2c(c1)CCCC2=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001299841814 1046064758 /nfs/dbraw/zinc/06/47/58/1046064758.db2.gz HILRAPHXMSROON-UHFFFAOYSA-N 0 1 376.372 3.756 20 5 GHBDMN CCCN1CCN(c2ccc(Nc3ncccc3[N+](=O)[O-])cc2Cl)CC1 ZINC001306943655 1048972245 /nfs/dbraw/zinc/97/22/45/1048972245.db2.gz QLGIXTUEIKWJDO-UHFFFAOYSA-N 0 1 375.860 3.919 20 5 GHBDMN Cc1cccc([C@@H]2CCCN2CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)c1C ZINC001307486448 1049326638 /nfs/dbraw/zinc/32/66/38/1049326638.db2.gz GZRKDXWZKPJZNZ-NRFANRHFSA-N 0 1 379.460 3.938 20 5 GHBDMN CC[C@@H](CC(=O)Nc1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-])c1ccccc1 ZINC001289291904 1049406583 /nfs/dbraw/zinc/40/65/83/1049406583.db2.gz JIVPLAOSLSJPFS-KRWDZBQOSA-N 0 1 396.491 3.869 20 5 GHBDMN CC(C)(C)OC(=O)N1CC[C@@H]([C@@H]2CCCCN2Cc2cccnc2[N+](=O)[O-])C1 ZINC001307803339 1049601049 /nfs/dbraw/zinc/60/10/49/1049601049.db2.gz ITXDEWXBTCHLFJ-WBVHZDCISA-N 0 1 390.484 3.601 20 5 GHBDMN CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2C[C@]3(C)COC[C@]3(C)C2)cc1OC ZINC001307912752 1049690595 /nfs/dbraw/zinc/69/05/95/1049690595.db2.gz BWMLORXWAMSXTF-LPTQZCDUSA-N 0 1 392.496 3.887 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2ccc(CNCc3ccc(-n4ccnc4)nc3)o2)cc1 ZINC001308191962 1049907087 /nfs/dbraw/zinc/90/70/87/1049907087.db2.gz RHYXEIOHWCGFTD-UHFFFAOYSA-N 0 1 375.388 3.725 20 5 GHBDMN COc1ccc(CN[C@H]2CCCN(c3ccccc3Cl)C2=O)cc1[N+](=O)[O-] ZINC001308285182 1049937435 /nfs/dbraw/zinc/93/74/35/1049937435.db2.gz RBGMPTRFJGLSRV-HNNXBMFYSA-N 0 1 389.839 3.542 20 5 GHBDMN COC(=O)N1CC(NCc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)C1 ZINC001308378065 1049962327 /nfs/dbraw/zinc/96/23/27/1049962327.db2.gz RVRUOYMRNZYNMK-UHFFFAOYSA-N 0 1 391.811 3.581 20 5 GHBDMN CN(C)c1nc(NCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)n[nH]1 ZINC001308399252 1049966731 /nfs/dbraw/zinc/96/67/31/1049966731.db2.gz ZWYORDHQEMWSPP-UHFFFAOYSA-N 0 1 388.815 3.837 20 5 GHBDMN CCS[C@H]1CCCC[C@@H]1NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC001309280055 1050550594 /nfs/dbraw/zinc/55/05/94/1050550594.db2.gz KHXLVMBBUJNAJA-RYUDHWBXSA-N 0 1 396.893 3.730 20 5 GHBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCc1cn(C(F)F)c2ccccc12 ZINC001309746814 1050953013 /nfs/dbraw/zinc/95/30/13/1050953013.db2.gz LOZMWHROVCPKDK-UHFFFAOYSA-N 0 1 399.350 3.562 20 5 GHBDMN C[C@H](NC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC001335094000 1052032701 /nfs/dbraw/zinc/03/27/01/1052032701.db2.gz WNYNBTOAYVZHSG-MJXNMMHHSA-N 0 1 386.427 3.540 20 5 GHBDMN Cc1cc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)ccc1N1CCN(C)CC1 ZINC001318647895 1054770919 /nfs/dbraw/zinc/77/09/19/1054770919.db2.gz WQNMSHVCILRUPI-UHFFFAOYSA-N 0 1 396.491 3.571 20 5 GHBDMN Cc1n[nH]c(=O)c(CNCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)c1C ZINC001318647250 1054770960 /nfs/dbraw/zinc/77/09/60/1054770960.db2.gz RGRUENCNCKENGY-UHFFFAOYSA-N 0 1 398.394 3.928 20 5 GHBDMN C[C@H]1CCCN(C(=O)CCN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC001319904505 1055533192 /nfs/dbraw/zinc/53/31/92/1055533192.db2.gz KKZCOABCVSCVBV-JTSKRJEESA-N 0 1 381.476 3.922 20 5 GHBDMN Cc1cnc(OC(C)C)c(NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)c1 ZINC001450115209 1060534824 /nfs/dbraw/zinc/53/48/24/1060534824.db2.gz SPRSTQWTQNXPFM-UHFFFAOYSA-N 0 1 381.392 3.728 20 5 GHBDMN CC[C@@H](c1ccccc1)N1CCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC001435310176 1062497157 /nfs/dbraw/zinc/49/71/57/1062497157.db2.gz UJNBGCFPAPPODT-IBGZPJMESA-N 0 1 385.439 3.572 20 5 GHBDMN C[N@@H+](Cc1ccccc1)C1CN(c2c(Br)cccc2[N+](=O)[O-])C1 ZINC001458366587 1063765522 /nfs/dbraw/zinc/76/55/22/1063765522.db2.gz HFXIOWGDOMJKDT-UHFFFAOYSA-N 0 1 376.254 3.678 20 5 GHBDMN CN(Cc1ccccc1)C1CN(c2c(Br)cccc2[N+](=O)[O-])C1 ZINC001458366587 1063765535 /nfs/dbraw/zinc/76/55/35/1063765535.db2.gz HFXIOWGDOMJKDT-UHFFFAOYSA-N 0 1 376.254 3.678 20 5 GHBDMN C[C@H]1CN(Cc2ccccc2)C[C@]2(CCN(Cc3cc(F)ccc3[N+](=O)[O-])C2)O1 ZINC001460690219 1069088053 /nfs/dbraw/zinc/08/80/53/1069088053.db2.gz GHPGVBDFHZNWHK-HTAPYJJXSA-N 0 1 399.466 3.599 20 5 GHBDMN COc1ccccc1C[C@H](C)N(Cc1cn(C)nc1[N+](=O)[O-])Cc1ccccc1 ZINC001473139695 1073802879 /nfs/dbraw/zinc/80/28/79/1073802879.db2.gz ASTBOQRWCKZANJ-KRWDZBQOSA-N 0 1 394.475 3.970 20 5 GHBDMN CC1(C)CN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCc2ccccc21 ZINC001473635126 1074059532 /nfs/dbraw/zinc/05/95/32/1074059532.db2.gz DVIZVYLADGSVOO-HXUWFJFHSA-N 0 1 379.460 3.536 20 5 GHBDMN O=[N+]([O-])c1ccc(CN2CCC[C@H](C3CCOCC3)C2)c(Br)c1 ZINC001473820748 1074160064 /nfs/dbraw/zinc/16/00/64/1074160064.db2.gz FQNBVOYNBISPIT-AWEZNQCLSA-N 0 1 383.286 3.996 20 5 GHBDMN COc1ccccc1O[C@H](C)CNCc1c(Br)cccc1[N+](=O)[O-] ZINC001474029689 1074241395 /nfs/dbraw/zinc/24/13/95/1074241395.db2.gz XASAMIYOAACOFS-GFCCVEGCSA-N 0 1 395.253 3.923 20 5 GHBDMN CC1CCC2(CC1)OC[C@H](CNCc1cc([N+](=O)[O-])ccc1OC(F)F)O2 ZINC001474090437 1074260383 /nfs/dbraw/zinc/26/03/83/1074260383.db2.gz IKGCBSUVKWGUHE-KVIBHRHWSA-N 0 1 386.395 3.608 20 5 GHBDMN O=C1Nc2ccccc2CC[C@@H]1NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC001474195386 1074289316 /nfs/dbraw/zinc/28/93/16/1074289316.db2.gz UGTOMCCDSVDIMX-IBGZPJMESA-N 0 1 377.400 3.898 20 5 GHBDMN C[C@]1(CN2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)CCCCO1 ZINC001474371255 1074369272 /nfs/dbraw/zinc/36/92/72/1074369272.db2.gz PHNKQQDYENUPRI-QGZVFWFLSA-N 0 1 387.402 3.695 20 5 GHBDMN CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@H](NCc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC001474737778 1074539591 /nfs/dbraw/zinc/53/95/91/1074539591.db2.gz CNILWDOFAQVQFR-KFWWJZLASA-N 0 1 381.860 3.878 20 5 GHBDMN C[C@](CO)(Cc1ccc(Br)cc1)NCc1c(F)cccc1[N+](=O)[O-] ZINC001655736594 1126256039 /nfs/dbraw/zinc/25/60/39/1126256039.db2.gz PYTHPUCRWJIBAH-QGZVFWFLSA-N 0 1 397.244 3.580 20 5 GHBDMN C[C@](CO)(Cc1ccc(F)cc1)NCc1ccc([N+](=O)[O-])cc1Br ZINC001655736958 1126256055 /nfs/dbraw/zinc/25/60/55/1126256055.db2.gz XLEMDHIQXPTWJX-QGZVFWFLSA-N 0 1 397.244 3.580 20 5 GHBDMN CCOc1cc(CN[C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)ccc1[N+](=O)[O-] ZINC001659943280 1126264094 /nfs/dbraw/zinc/26/40/94/1126264094.db2.gz GSUZQIXUWIGKBH-CRAIPNDOSA-N 0 1 398.381 3.618 20 5 GHBDMN O=[N+]([O-])c1c(N2CCCN(Cc3ccc(Cl)cc3)CC2)nc2sccn21 ZINC000022195686 212106427 /nfs/dbraw/zinc/10/64/27/212106427.db2.gz OKRUFSJMINMYPH-UHFFFAOYSA-N 0 1 391.884 3.670 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000832482041 600742180 /nfs/dbraw/zinc/74/21/80/600742180.db2.gz VGVQDXIRSKGNFT-OAHLLOKOSA-N 0 1 385.203 3.826 20 5 GHBDMN CC(C)OC[C@@H](C(=O)[O-])[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000833505409 604767061 /nfs/dbraw/zinc/76/70/61/604767061.db2.gz JIQKOMDOIGZEJV-INIZCTEOSA-N 0 1 378.450 3.633 20 5 GHBDMN CC(C)OC[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000833505409 604767064 /nfs/dbraw/zinc/76/70/64/604767064.db2.gz JIQKOMDOIGZEJV-INIZCTEOSA-N 0 1 378.450 3.633 20 5 GHBDMN C[C@H](C(=O)[O-])[C@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1 ZINC000833408763 604921556 /nfs/dbraw/zinc/92/15/56/604921556.db2.gz VKDJSEUKQCALBS-UGSOOPFHSA-N 0 1 381.388 3.801 20 5 GHBDMN Cc1nc(CN2CCCC23CCN(c2ncc(C)cc2[N+](=O)[O-])CC3)cs1 ZINC001164691449 719803939 /nfs/dbraw/zinc/80/39/39/719803939.db2.gz HCBSSQWPGUUFDM-UHFFFAOYSA-N 0 1 387.509 3.698 20 5 GHBDMN Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)n1 ZINC001164994846 722201703 /nfs/dbraw/zinc/20/17/03/722201703.db2.gz IRHGBZDRCUPVFF-OAQYLSRUSA-N 0 1 384.455 3.991 20 5 GHBDMN Cc1cc(Br)cc(C)c1NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000120113905 834548147 /nfs/dbraw/zinc/54/81/47/834548147.db2.gz GXSZNBMRZNKKPA-UHFFFAOYSA-N 0 1 391.268 3.836 20 5 GHBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC000053049570 834569588 /nfs/dbraw/zinc/56/95/88/834569588.db2.gz DWOUMLIVWOJRQZ-HNNXBMFYSA-N 0 1 385.439 3.823 20 5 GHBDMN Cc1cc(S(=O)(=O)Nc2cccc3c2CN(CC(C)C)C3)ccc1[N+](=O)[O-] ZINC000512944838 844015585 /nfs/dbraw/zinc/01/55/85/844015585.db2.gz JCCZYKCLGDWMOG-UHFFFAOYSA-N 0 1 389.477 3.676 20 5 GHBDMN Cc1cccc(NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c1Br ZINC000120338957 835165680 /nfs/dbraw/zinc/16/56/80/835165680.db2.gz JZKGRDTZXHGUPN-UHFFFAOYSA-N 0 1 389.202 3.606 20 5 GHBDMN O=[N+]([O-])c1ccc(Nc2ccc(CCN3CCOCC3)cc2)c2ccncc21 ZINC000097513549 835271875 /nfs/dbraw/zinc/27/18/75/835271875.db2.gz VFLDDMRIEIPNFO-UHFFFAOYSA-N 0 1 378.432 3.761 20 5 GHBDMN CCN(CC)[C@@H](CNC(=O)c1cccc(SC)c1[N+](=O)[O-])c1ccco1 ZINC000188090346 835365416 /nfs/dbraw/zinc/36/54/16/835365416.db2.gz KNQGQCPRPUEXKH-AWEZNQCLSA-N 0 1 377.466 3.723 20 5 GHBDMN CCN(CC)[C@@H](CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000179562980 835877335 /nfs/dbraw/zinc/87/73/35/835877335.db2.gz FIMMGLJBVXSBGN-HNNXBMFYSA-N 0 1 397.522 3.555 20 5 GHBDMN CCOc1cc(CN[C@@H](C)c2ccc3c(c2)O[C@H](CC)C(=O)N3)ccc1[N+](=O)[O-] ZINC000276954604 844137353 /nfs/dbraw/zinc/13/73/53/844137353.db2.gz USAAROBBIIFSIZ-SCLBCKFNSA-N 0 1 399.447 3.954 20 5 GHBDMN CN(CCc1cccc([N+](=O)[O-])c1)Cc1cn2ccc(Br)cc2n1 ZINC000582213116 836249703 /nfs/dbraw/zinc/24/97/03/836249703.db2.gz QWYISLBIDDNDSS-UHFFFAOYSA-N 0 1 389.253 3.680 20 5 GHBDMN CNc1ccc(C(=O)N2CCC[C@H]2c2nc3ccc(C)cc3[nH]2)cc1[N+](=O)[O-] ZINC000142319504 836997114 /nfs/dbraw/zinc/99/71/14/836997114.db2.gz NUDPVUFIGBQAHK-KRWDZBQOSA-N 0 1 379.420 3.799 20 5 GHBDMN COc1ccccc1[C@@H]1CC[C@@H](C)CN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000510255848 837066584 /nfs/dbraw/zinc/06/65/84/837066584.db2.gz SGVFWJIWSGAQNT-KDOFPFPSSA-N 0 1 383.448 3.676 20 5 GHBDMN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000275612579 838010203 /nfs/dbraw/zinc/01/02/03/838010203.db2.gz HGMNMISEFKQEST-JEOXALJRSA-N 0 1 397.425 3.584 20 5 GHBDMN CCC(CC)(CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)OC ZINC000181569172 838108925 /nfs/dbraw/zinc/10/89/25/838108925.db2.gz HBHPRGSCAHEHEO-UHFFFAOYSA-N 0 1 377.466 3.787 20 5 GHBDMN Cc1cc(C(=O)NCc2cccnc2)ccc1Nc1ccc(O)c([N+](=O)[O-])c1 ZINC001210397767 838245824 /nfs/dbraw/zinc/24/58/24/838245824.db2.gz GTGOSUFFCGSPBX-UHFFFAOYSA-N 0 1 378.388 3.677 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2cnc(CCN3CCN(Cc4ccsc4)CC3)o2)c1 ZINC000536020864 838366913 /nfs/dbraw/zinc/36/69/13/838366913.db2.gz RSJQHUBTMUWJRK-UHFFFAOYSA-N 0 1 398.488 3.672 20 5 GHBDMN CCS(=O)(=O)c1cc(Cl)cc(CNCc2ccc([N+](=O)[O-])cc2C)c1 ZINC000414493911 838593292 /nfs/dbraw/zinc/59/32/92/838593292.db2.gz JSEVVKPBURTARC-UHFFFAOYSA-N 0 1 382.869 3.640 20 5 GHBDMN COC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000414495985 838594384 /nfs/dbraw/zinc/59/43/84/838594384.db2.gz YFVVISNYTYNTLV-HOTGVXAUSA-N 0 1 392.839 3.622 20 5 GHBDMN Cn1cc(-c2ccccc2CNCc2cc([N+](=O)[O-])ccc2OC(F)F)cn1 ZINC000378271094 838737635 /nfs/dbraw/zinc/73/76/35/838737635.db2.gz KENYHUPMKDSRLA-UHFFFAOYSA-N 0 1 388.374 3.887 20 5 GHBDMN C[C@@]1(c2ccccc2)CCCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC001167367476 839047069 /nfs/dbraw/zinc/04/70/69/839047069.db2.gz KKDBONGNOKOYML-IFMALSPDSA-N 0 1 379.460 3.754 20 5 GHBDMN COCCCCCN1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000728688351 839057041 /nfs/dbraw/zinc/05/70/41/839057041.db2.gz JVEVTAWHVRZFHX-UHFFFAOYSA-N 0 1 375.391 3.552 20 5 GHBDMN COc1ccc(NC(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000541105548 839180381 /nfs/dbraw/zinc/18/03/81/839180381.db2.gz BDNJMGTUGUQDHX-PBHICJAKSA-N 0 1 384.436 3.560 20 5 GHBDMN CCc1ccc(C(=O)N2CCN(Cc3ccccc3)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000610445667 839744882 /nfs/dbraw/zinc/74/48/82/839744882.db2.gz BYXKIAXEDFIKKV-KRWDZBQOSA-N 0 1 381.476 3.894 20 5 GHBDMN Cc1sc(S(=O)(=O)Nc2cc(Br)ccc2F)cc1[N+](=O)[O-] ZINC000119178446 839889739 /nfs/dbraw/zinc/88/97/39/839889739.db2.gz ZEJOWPLIBQVLTH-UHFFFAOYSA-N 0 1 395.231 3.667 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N2CCC(c3ncccc3Cl)CC2)c1[N+](=O)[O-] ZINC000430501924 840094139 /nfs/dbraw/zinc/09/41/39/840094139.db2.gz IKYMXILWLRBOMM-UHFFFAOYSA-N 0 1 377.832 3.510 20 5 GHBDMN C[C@@H](c1ccncc1)N1CCC(Nc2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000473514026 844626809 /nfs/dbraw/zinc/62/68/09/844626809.db2.gz RGYNSGOJWPNRJD-HNNXBMFYSA-N 0 1 377.448 3.597 20 5 GHBDMN Cc1cc2ncn(C[C@H](O)CN(Cc3ccccc3[N+](=O)[O-])C3CC3)c2cc1C ZINC000135237695 841415382 /nfs/dbraw/zinc/41/53/82/841415382.db2.gz VVBQREIDZACOAY-LJQANCHMSA-N 0 1 394.475 3.587 20 5 GHBDMN Cc1cc(NCc2ccc(C[NH+]3CCOCC3)cc2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302201719 861239045 /nfs/dbraw/zinc/23/90/45/861239045.db2.gz VKXLQZYVEURDJD-UHFFFAOYSA-N 0 1 392.459 3.896 20 5 GHBDMN CCCc1[nH]nc(C(=O)Nc2nnc(-c3ccccc3Cl)s2)c1[N+](=O)[O-] ZINC000109627159 841982020 /nfs/dbraw/zinc/98/20/20/841982020.db2.gz ZHCHWSVCGMCSAO-UHFFFAOYSA-N 0 1 392.828 3.695 20 5 GHBDMN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)Nc1ccccc1Br ZINC000131221661 861266920 /nfs/dbraw/zinc/26/69/20/861266920.db2.gz BMMBXPDBCYJTHX-UHFFFAOYSA-N 0 1 391.630 3.812 20 5 GHBDMN CC[NH+](CC)Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000468913600 842352688 /nfs/dbraw/zinc/35/26/88/842352688.db2.gz KZMKTAVYJNUBHI-UHFFFAOYSA-N 0 1 377.466 3.546 20 5 GHBDMN CC1(C)C[C@H](NCc2ccc(CS(C)(=O)=O)cc2)c2cc([N+](=O)[O-])ccc21 ZINC000279146074 842647124 /nfs/dbraw/zinc/64/71/24/842647124.db2.gz SHYIHSSJPXEQOQ-IBGZPJMESA-N 0 1 388.489 3.652 20 5 GHBDMN Cc1cc(N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000567980761 842915237 /nfs/dbraw/zinc/91/52/37/842915237.db2.gz LVCDSAZKHXYMOA-JKSUJKDBSA-N 0 1 375.469 3.692 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN(Cc1ccccc1)[C@H](C)C1CC1 ZINC000024672919 843085608 /nfs/dbraw/zinc/08/56/08/843085608.db2.gz XGZIZLOIAHAMPY-OAHLLOKOSA-N 0 1 383.448 3.843 20 5 GHBDMN C[C@@H]1C[N@@H+](Cc2cc(=O)oc3ccc4ccccc4c23)CC2(CCOCC2)O1 ZINC000279694346 843239422 /nfs/dbraw/zinc/23/94/22/843239422.db2.gz GISUPZYDTKJRQS-MRXNPFEDSA-N 0 1 379.456 3.716 20 5 GHBDMN C[C@@H]1CN(Cc2cc(=O)oc3ccc4ccccc4c23)CC2(CCOCC2)O1 ZINC000279694346 843239428 /nfs/dbraw/zinc/23/94/28/843239428.db2.gz GISUPZYDTKJRQS-MRXNPFEDSA-N 0 1 379.456 3.716 20 5 GHBDMN CCCCOc1ccc(CCNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000603915199 861398558 /nfs/dbraw/zinc/39/85/58/861398558.db2.gz RMSCIJWVOAWAEX-UHFFFAOYSA-N 0 1 382.420 3.623 20 5 GHBDMN Cc1ccc(NC(=O)NC(=O)[C@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000056195799 861451507 /nfs/dbraw/zinc/45/15/07/861451507.db2.gz LNKIGDUGZLRVCU-GJZGRUSLSA-N 0 1 384.436 3.599 20 5 GHBDMN C[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000056197131 861452011 /nfs/dbraw/zinc/45/20/11/861452011.db2.gz QJDMMCOZUIEBJM-RYUDHWBXSA-N 0 1 379.363 3.874 20 5 GHBDMN CCn1cccc(CNCc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)c1=O ZINC000433193864 843811533 /nfs/dbraw/zinc/81/15/33/843811533.db2.gz SRWLIFGLDMSLKH-UHFFFAOYSA-N 0 1 392.459 3.834 20 5 GHBDMN CC(C)(C(=O)NC[C@@H](c1cccs1)N1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000429923984 843971151 /nfs/dbraw/zinc/97/11/51/843971151.db2.gz KVTFAINMWXITFO-KRWDZBQOSA-N 0 1 387.505 3.887 20 5 GHBDMN CO[C@H](c1ccccc1Cl)[C@H](C)NCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000481490997 861516489 /nfs/dbraw/zinc/51/64/89/861516489.db2.gz DBWUMLJLDPQVJU-DJJJIMSYSA-N 0 1 391.855 3.861 20 5 GHBDMN CC1(C)C[C@H](NCc2cccc(C(=O)NC3CC3)c2)c2cc([N+](=O)[O-])ccc21 ZINC000433144115 845510513 /nfs/dbraw/zinc/51/05/13/845510513.db2.gz BCANNNMTXNSDGM-FQEVSTJZSA-N 0 1 379.460 3.999 20 5 GHBDMN O=[N+]([O-])c1ccc(Cl)c(CNC[C@H](O)COc2cccc3ccccc32)c1 ZINC000731450226 861623708 /nfs/dbraw/zinc/62/37/08/861623708.db2.gz RPEYKDXXFZBBHJ-KRWDZBQOSA-N 0 1 386.835 3.931 20 5 GHBDMN CCOCCC1(CN[C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CCCC1 ZINC000513678345 846225739 /nfs/dbraw/zinc/22/57/39/846225739.db2.gz LWKUKBPVSOHHEO-LJQANCHMSA-N 0 1 386.496 3.994 20 5 GHBDMN O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000119809707 846307139 /nfs/dbraw/zinc/30/71/39/846307139.db2.gz WDFQDVUVHFOFNE-SFHVURJKSA-N 0 1 382.420 3.626 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(NCc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)c1 ZINC000518350219 846588895 /nfs/dbraw/zinc/58/88/95/846588895.db2.gz JCAMRJYRFWEQNU-HOTGVXAUSA-N 0 1 385.464 3.825 20 5 GHBDMN CC(C)(C)c1ccc(NC(=O)N[C@H](c2nnc[nH]2)c2ccccc2)cc1[N+](=O)[O-] ZINC000501103611 846644560 /nfs/dbraw/zinc/64/45/60/846644560.db2.gz FIAJIUAGYUIJQV-KRWDZBQOSA-N 0 1 394.435 3.922 20 5 GHBDMN COc1ccc(NC(=O)CN[C@H](C)c2ccccc2SC)c([N+](=O)[O-])c1 ZINC000501561884 847022347 /nfs/dbraw/zinc/02/23/47/847022347.db2.gz PAIJBTQGQLUHNT-GFCCVEGCSA-N 0 1 375.450 3.615 20 5 GHBDMN CCC[C@H]1CN(C(=O)c2cc3ccccc3c3cccnc23)CCN1CCOC ZINC000501599192 847050288 /nfs/dbraw/zinc/05/02/88/847050288.db2.gz CEDTXWGSKDSWNH-IBGZPJMESA-N 0 1 391.515 3.961 20 5 GHBDMN O=[N+]([O-])c1cccc(CN(Cc2cccc(CN3CCOCC3)c2)C2CC2)c1 ZINC000420938727 847557724 /nfs/dbraw/zinc/55/77/24/847557724.db2.gz PMJWWPBVUCYYPF-UHFFFAOYSA-N 0 1 381.476 3.592 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@]1(c2ccc(Cl)cc2)C[C@@H]1C ZINC000503412821 847677811 /nfs/dbraw/zinc/67/78/11/847677811.db2.gz PRMYQVYZHBJBIE-BUXKBTBVSA-N 0 1 389.839 3.720 20 5 GHBDMN Cc1c([C@@H](C)N[C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)cccc1[N+](=O)[O-] ZINC000161539024 848651246 /nfs/dbraw/zinc/65/12/46/848651246.db2.gz OZKYXQHFPZGXRW-HUUCEWRRSA-N 0 1 391.493 3.565 20 5 GHBDMN COc1ccc(NC(=O)[C@H](C)N2CC[C@H](c3ccccc3)[C@H]2C)c([N+](=O)[O-])c1 ZINC000434907509 849891561 /nfs/dbraw/zinc/89/15/61/849891561.db2.gz XONCQNJWPMPQPQ-VKJFTORMSA-N 0 1 383.448 3.808 20 5 GHBDMN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000504094376 849895649 /nfs/dbraw/zinc/89/56/49/849895649.db2.gz NKZSAKPUFUWZTN-UHFFFAOYSA-N 0 1 387.505 3.959 20 5 GHBDMN COc1ccc(-c2n[nH]c(CNc3ccc([N+](=O)[O-])c4cnccc34)n2)cc1 ZINC000505589575 849997391 /nfs/dbraw/zinc/99/73/91/849997391.db2.gz FJBXMTXRRMJHOB-UHFFFAOYSA-N 0 1 376.376 3.549 20 5 GHBDMN COc1ccc(-c2nc(CNc3ccc([N+](=O)[O-])c4cnccc34)n[nH]2)cc1 ZINC000505589575 849997400 /nfs/dbraw/zinc/99/74/00/849997400.db2.gz FJBXMTXRRMJHOB-UHFFFAOYSA-N 0 1 376.376 3.549 20 5 GHBDMN CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](c1cccc(F)c1)N(C)C ZINC000439907453 850556380 /nfs/dbraw/zinc/55/63/80/850556380.db2.gz AYXXRTGLQSUPLS-QGZVFWFLSA-N 0 1 390.415 3.557 20 5 GHBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2nc(C)sc2c1 ZINC000519202798 850754438 /nfs/dbraw/zinc/75/44/38/850754438.db2.gz LZULAMLQEKIEEK-UHFFFAOYSA-N 0 1 377.447 3.876 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1CNC(=O)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000426620738 850998486 /nfs/dbraw/zinc/99/84/86/850998486.db2.gz QZTZJOMXPJYZSQ-UHFFFAOYSA-N 0 1 392.824 3.638 20 5 GHBDMN CCc1nc(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1C(=O)[O-] ZINC000426645254 851122055 /nfs/dbraw/zinc/12/20/55/851122055.db2.gz CLFBPUOBNHHEJO-UHFFFAOYSA-N 0 1 381.388 3.800 20 5 GHBDMN CC(C)(C)c1ccc(C(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)cc1[N+](=O)[O-] ZINC000120762220 851123145 /nfs/dbraw/zinc/12/31/45/851123145.db2.gz LNDIVHTVNMOLCH-HNNXBMFYSA-N 0 1 397.479 3.908 20 5 GHBDMN O=C([O-])c1cc(N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)ccc1[N+](=O)[O-] ZINC000910354696 851169087 /nfs/dbraw/zinc/16/90/87/851169087.db2.gz PZHSIZYDBDPIEX-CYBMUJFWSA-N 0 1 391.374 3.648 20 5 GHBDMN O=C([O-])c1cc(N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)ccc1[N+](=O)[O-] ZINC000910354696 851169095 /nfs/dbraw/zinc/16/90/95/851169095.db2.gz PZHSIZYDBDPIEX-CYBMUJFWSA-N 0 1 391.374 3.648 20 5 GHBDMN CCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@H](C)Cc1ccc(OC)cc1 ZINC000436397151 851570133 /nfs/dbraw/zinc/57/01/33/851570133.db2.gz ZJXUFCJNRMHCKT-MRXNPFEDSA-N 0 1 385.464 3.803 20 5 GHBDMN Cc1ccc(CS(=O)(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)cc1F ZINC000184204039 851729517 /nfs/dbraw/zinc/72/95/17/851729517.db2.gz IYEGWUDZEROLRV-UHFFFAOYSA-N 0 1 375.381 3.532 20 5 GHBDMN COc1ccc2c(c1)CCC[C@@H]2N(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000488796642 851790334 /nfs/dbraw/zinc/79/03/34/851790334.db2.gz HLYISJMGSVXCIT-FQEVSTJZSA-N 0 1 383.448 3.860 20 5 GHBDMN Cc1ccc(CNCc2cc(Br)c3c(c2)OCCO3)cc1[N+](=O)[O-] ZINC000604532734 862285208 /nfs/dbraw/zinc/28/52/08/862285208.db2.gz ZOEFBRSRKROZJM-UHFFFAOYSA-N 0 1 393.237 3.727 20 5 GHBDMN COc1cc([N+](=O)[O-])c(C(=O)Nc2nc3ccc(F)cc3[nH]2)cc1SC ZINC000488940292 851875529 /nfs/dbraw/zinc/87/55/29/851875529.db2.gz RTXRVPAZANSSBA-UHFFFAOYSA-N 0 1 376.369 3.593 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2nc(-c3ccco3)[nH]c2c1 ZINC000515934598 851960895 /nfs/dbraw/zinc/96/08/95/851960895.db2.gz DRPDVFYWXIBBLE-UHFFFAOYSA-N 0 1 378.344 3.992 20 5 GHBDMN CC[C@@H](NCc1cc(OC)c(F)cc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000184305291 852161740 /nfs/dbraw/zinc/16/17/40/852161740.db2.gz YVVRTLRFBLFAEZ-OAHLLOKOSA-N 0 1 376.384 3.755 20 5 GHBDMN CC(C)CN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CC1 ZINC000516324687 852421857 /nfs/dbraw/zinc/42/18/57/852421857.db2.gz DRXMUVIJWGXZBC-UHFFFAOYSA-N 0 1 383.448 3.801 20 5 GHBDMN COCC(=O)Nc1cccc(CN[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000516430896 852535462 /nfs/dbraw/zinc/53/54/62/852535462.db2.gz URRXXBUNRAFICK-HXUWFJFHSA-N 0 1 383.448 3.737 20 5 GHBDMN Cn1ccnc1[C@H](NC[C@@H]1CCCO[C@@H]1C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000517906572 852606409 /nfs/dbraw/zinc/60/64/09/852606409.db2.gz DCXOQWXMUNTAQQ-UHOSZYNNSA-N 0 1 386.496 3.849 20 5 GHBDMN O=[N+]([O-])c1cccc([C@H](NC[C@H](O)COc2ccc(F)cc2)c2ccccc2)c1 ZINC000490112811 852760307 /nfs/dbraw/zinc/76/03/07/852760307.db2.gz LNXGZHVKLHDTTA-RBBKRZOGSA-N 0 1 396.418 3.853 20 5 GHBDMN COc1ccccc1[C@H](CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)N1CCCC1 ZINC000913258157 853190420 /nfs/dbraw/zinc/19/04/20/853190420.db2.gz SSEKRQVVIFSWDK-IMTHGLKYSA-N 0 1 395.459 3.570 20 5 GHBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCc1c(Cl)cccc1Cl ZINC000519890717 853586819 /nfs/dbraw/zinc/58/68/19/853586819.db2.gz NILOGUTURIOQMS-UHFFFAOYSA-N 0 1 379.196 3.519 20 5 GHBDMN O=C(CN1C[C@@H]2CCC[C@@H]2C1)Nc1cc(N2C[C@H]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000156814053 854348938 /nfs/dbraw/zinc/34/89/38/854348938.db2.gz NINBMRAWXRJKFC-XMTFNYHQSA-N 0 1 398.507 3.502 20 5 GHBDMN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1ccc(-c2csnn2)cc1 ZINC000481971565 862564954 /nfs/dbraw/zinc/56/49/54/862564954.db2.gz TWSUYULLNQGBIF-UHFFFAOYSA-N 0 1 390.446 3.531 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(OC2CCC2)c(F)c1 ZINC000481976048 862568916 /nfs/dbraw/zinc/56/89/16/862568916.db2.gz XLKLIKPBIRVBDC-UHFFFAOYSA-N 0 1 380.397 3.774 20 5 GHBDMN Cc1ccc(Sc2ccc(CN3CC[C@H](CC(N)=O)C3)cc2[N+](=O)[O-])cc1 ZINC000589209578 854750475 /nfs/dbraw/zinc/75/04/75/854750475.db2.gz NZFRIKLPVHMHKR-MRXNPFEDSA-N 0 1 385.489 3.752 20 5 GHBDMN O=C(NC[C@H](c1cccs1)N1CCCC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000027604264 855245311 /nfs/dbraw/zinc/24/53/11/855245311.db2.gz WVNLXYJLLRVCPN-OAHLLOKOSA-N 0 1 379.869 3.877 20 5 GHBDMN CCN(C)C(=O)[C@@H](C)NCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000473988885 855327052 /nfs/dbraw/zinc/32/70/52/855327052.db2.gz WYQBMNWXAXSYDC-CYBMUJFWSA-N 0 1 391.855 3.997 20 5 GHBDMN Cc1n[nH]c([C@H]2CCCN(Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C2)n1 ZINC000542692417 855459600 /nfs/dbraw/zinc/45/96/00/855459600.db2.gz OFBLYQQZNFWDQW-AWEZNQCLSA-N 0 1 384.465 3.524 20 5 GHBDMN O=C(c1ccc(Nc2ccncc2)cc1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000427585280 855462603 /nfs/dbraw/zinc/46/26/03/855462603.db2.gz FLLFGXNLONLVHQ-UHFFFAOYSA-N 0 1 388.427 3.960 20 5 GHBDMN O=C(c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)N1CCc2nc[nH]c2C1 ZINC000590552143 855473215 /nfs/dbraw/zinc/47/32/15/855473215.db2.gz HHAQWEYOPABJPY-UHFFFAOYSA-N 0 1 398.806 3.962 20 5 GHBDMN CN(C)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)c1cccc(F)c1 ZINC000520616078 855808596 /nfs/dbraw/zinc/80/85/96/855808596.db2.gz LSKPLTYSBWULDF-MRXNPFEDSA-N 0 1 399.344 3.785 20 5 GHBDMN CC(C)(C)OC(=O)c1ccc(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000462786705 856202451 /nfs/dbraw/zinc/20/24/51/856202451.db2.gz AXLFTJAFCNFKBE-KRWDZBQOSA-N 0 1 398.463 3.632 20 5 GHBDMN Cc1c(NS(=O)(=O)c2cccc(F)c2)cc(Br)cc1[N+](=O)[O-] ZINC000485397903 856444229 /nfs/dbraw/zinc/44/42/29/856444229.db2.gz ZTHQBDNRFJPVPB-UHFFFAOYSA-N 0 1 389.202 3.606 20 5 GHBDMN CN(C)[C@H](CNC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000172464305 856448057 /nfs/dbraw/zinc/44/80/57/856448057.db2.gz KWQMRVOEYCOKNQ-QGZVFWFLSA-N 0 1 390.509 3.581 20 5 GHBDMN O=C(C1CCN(Cc2cccc([N+](=O)[O-])c2)CC1)N(Cc1ccccc1)C1CC1 ZINC000172587380 856490441 /nfs/dbraw/zinc/49/04/41/856490441.db2.gz SSJLJQCFQDTZTF-UHFFFAOYSA-N 0 1 393.487 3.998 20 5 GHBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@@H](Nc2ccccc2)C1 ZINC000245384912 856814359 /nfs/dbraw/zinc/81/43/59/856814359.db2.gz YXOSYHQYQCSBLT-RHSMWYFYSA-N 0 1 379.420 3.892 20 5 GHBDMN CC[C@](C)(NCCC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1nc(C)cs1 ZINC000173938177 857184689 /nfs/dbraw/zinc/18/46/89/857184689.db2.gz IIIQNWMZDDOYAE-SFHVURJKSA-N 0 1 376.482 3.912 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)CCNC(C)(C)c1nc(C)c(C)s1 ZINC000173958211 857186527 /nfs/dbraw/zinc/18/65/27/857186527.db2.gz KHQDJLOIFOWEJM-UHFFFAOYSA-N 0 1 392.481 3.530 20 5 GHBDMN COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000245886401 857189692 /nfs/dbraw/zinc/18/96/92/857189692.db2.gz CYEPYSUALARTGO-QGTPRVQTSA-N 0 1 399.447 3.598 20 5 GHBDMN O=C(Cc1ccc(F)cc1[N+](=O)[O-])Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1 ZINC000593038111 857193831 /nfs/dbraw/zinc/19/38/31/857193831.db2.gz WCHVEJFJIZRYNV-QGZVFWFLSA-N 0 1 384.367 3.643 20 5 GHBDMN O=C(Nc1ccccc1)NC1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255132663 857519052 /nfs/dbraw/zinc/51/90/52/857519052.db2.gz GUSOZQBAUUGCPD-VURMDHGXSA-N 0 1 380.448 3.894 20 5 GHBDMN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cc(F)cc(NCC(F)(F)F)c2)c1 ZINC000442246234 857651429 /nfs/dbraw/zinc/65/14/29/857651429.db2.gz ZNKUBNKRZFUVPI-UHFFFAOYSA-N 0 1 393.318 3.509 20 5 GHBDMN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000438939610 857816586 /nfs/dbraw/zinc/81/65/86/857816586.db2.gz YZRIBYQZGJHOQD-KRWDZBQOSA-N 0 1 387.867 3.903 20 5 GHBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000521772581 858298903 /nfs/dbraw/zinc/29/89/03/858298903.db2.gz JMBDYFCUANDOMR-OAHLLOKOSA-N 0 1 384.816 3.817 20 5 GHBDMN CCN1CC[C@H](NCc2csc([N+](=O)[O-])c2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000543101264 858362834 /nfs/dbraw/zinc/36/28/34/858362834.db2.gz RYSQQTYWXZFXRT-WMLDXEAASA-N 0 1 385.411 3.999 20 5 GHBDMN CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2CC[C@H](C(=O)[O-])[C@H](C)C2)cc1OC ZINC000595279448 858459313 /nfs/dbraw/zinc/45/93/13/858459313.db2.gz OAJSNVKTBWVOBE-FMKPAKJESA-N 0 1 394.468 3.571 20 5 GHBDMN CC(C)(C)O[C@@H]1C[C@H](NCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C12CCC2 ZINC000595777800 858684387 /nfs/dbraw/zinc/68/43/87/858684387.db2.gz KFLAREFVVRPMAT-JKSUJKDBSA-N 0 1 386.452 3.861 20 5 GHBDMN O=[N+]([O-])c1ccc2[nH]c(CN(Cc3ccccc3)CC3CCOCC3)nc2c1 ZINC000482698257 858775147 /nfs/dbraw/zinc/77/51/47/858775147.db2.gz RKTKTIHRYQQCPR-UHFFFAOYSA-N 0 1 380.448 3.900 20 5 GHBDMN Cc1ccc(Cl)c(OC[C@H](O)CNC(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC000429258331 858841354 /nfs/dbraw/zinc/84/13/54/858841354.db2.gz UKOKZQVLKVNFOQ-CQSZACIVSA-N 0 1 378.856 3.821 20 5 GHBDMN CO[C@@H](c1ccccc1Cl)[C@@H](C)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000482799424 858862784 /nfs/dbraw/zinc/86/27/84/858862784.db2.gz DIVVDUBNJBAKDB-BMLIUANNSA-N 0 1 388.811 3.631 20 5 GHBDMN O=C(NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000443562999 858965128 /nfs/dbraw/zinc/96/51/28/858965128.db2.gz XIWPXDCNDNZIKL-UHFFFAOYSA-N 0 1 398.312 3.920 20 5 GHBDMN C[C@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)N1CCCC1 ZINC000466403764 859360856 /nfs/dbraw/zinc/36/08/56/859360856.db2.gz IZKZZADODIMXSP-LBPRGKRZSA-N 0 1 377.828 3.609 20 5 GHBDMN O=C1C[C@@H](NCc2cccc([N+](=O)[O-])c2)CN1Cc1ccccc1C(F)(F)F ZINC000466451540 859564385 /nfs/dbraw/zinc/56/43/85/859564385.db2.gz KIQXFUHGZGCBOW-OAHLLOKOSA-N 0 1 393.365 3.504 20 5 GHBDMN Cc1ccncc1[C@H](C)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000611292121 859684263 /nfs/dbraw/zinc/68/42/63/859684263.db2.gz UFPXRPYIHZYVKI-VIFPVBQESA-N 0 1 390.248 3.645 20 5 GHBDMN O=C(N[C@@H]1CCCc2cn(C3CCCC3)nc21)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000611555541 859803913 /nfs/dbraw/zinc/80/39/13/859803913.db2.gz HXEXCAZHKNZAHH-QGZVFWFLSA-N 0 1 394.435 3.590 20 5 GHBDMN CC[C@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccc(Cl)s1 ZINC000543484973 859900120 /nfs/dbraw/zinc/90/01/20/859900120.db2.gz HILUIQRRUPNFSN-ZDUSSCGKSA-N 0 1 379.869 3.940 20 5 GHBDMN COc1ccccc1NC(=O)C1CCN(Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000091918615 859958148 /nfs/dbraw/zinc/95/81/48/859958148.db2.gz URFOUSNEAGJWMT-UHFFFAOYSA-N 0 1 383.448 3.763 20 5 GHBDMN CCOCCN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@@H]1CCc2ccccc21 ZINC000600446648 860187681 /nfs/dbraw/zinc/18/76/81/860187681.db2.gz NUCDKLLLINAKSK-LJQANCHMSA-N 0 1 394.431 3.637 20 5 GHBDMN Cc1cc(NC[C@H](CC(C)C)N2CCOCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000060858699 860223159 /nfs/dbraw/zinc/22/31/59/860223159.db2.gz NBFLFVNCZNXNMC-IBGZPJMESA-N 0 1 399.495 3.519 20 5 GHBDMN Cn1cc(CN[C@@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)c([N+](=O)[O-])n1 ZINC000602829703 860304190 /nfs/dbraw/zinc/30/41/90/860304190.db2.gz YQGKGTYRVWERJE-MRXNPFEDSA-N 0 1 398.385 3.605 20 5 GHBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@@H](c2cccnc2)C1 ZINC000602852686 860314523 /nfs/dbraw/zinc/31/45/23/860314523.db2.gz GBNXWWMCTGBHBE-RHSMWYFYSA-N 0 1 379.420 3.980 20 5 GHBDMN COc1cc(CN2CC[C@@H](COCc3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000093684101 860331640 /nfs/dbraw/zinc/33/16/40/860331640.db2.gz MTGKFARVDKRWGI-QGZVFWFLSA-N 0 1 386.448 3.651 20 5 GHBDMN COc1ccccc1[C@H](CNc1ncc([N+](=O)[O-])cc1Cl)N1CCCC1 ZINC000301294036 860445214 /nfs/dbraw/zinc/44/52/14/860445214.db2.gz WIILSZIJHKMUCW-INIZCTEOSA-N 0 1 376.844 3.901 20 5 GHBDMN CCCc1[nH]nc(C(=O)N2CCc3c(Cl)cc(Cl)cc3C2)c1[N+](=O)[O-] ZINC000484927761 860503809 /nfs/dbraw/zinc/50/38/09/860503809.db2.gz TWLPYGRJDQWJOO-UHFFFAOYSA-N 0 1 383.235 3.776 20 5 GHBDMN O=C(Nc1nc(-c2ccco2)n[nH]1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000603458084 860723762 /nfs/dbraw/zinc/72/37/62/860723762.db2.gz WMCNBHAKLWZROX-UHFFFAOYSA-N 0 1 390.359 3.969 20 5 GHBDMN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C)N1CCc2ccccc2C1 ZINC000025634742 860939554 /nfs/dbraw/zinc/93/95/54/860939554.db2.gz HFSHFIFQNICWHF-HOTGVXAUSA-N 0 1 399.516 3.638 20 5 GHBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@@H]2CN(c3ccccc3)C[C@@H]2C1 ZINC000609193201 881615054 /nfs/dbraw/zinc/61/50/54/881615054.db2.gz SXZHLHYDNBXKFY-KDURUIRLSA-N 0 1 381.476 3.950 20 5 GHBDMN CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NC[C@H](c1ccco1)N1CCCC1 ZINC000522901239 863685266 /nfs/dbraw/zinc/68/52/66/863685266.db2.gz DVFLABJSNRQOAP-MRXNPFEDSA-N 0 1 391.399 3.753 20 5 GHBDMN COc1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])c(C)c1OC ZINC000554292833 864068804 /nfs/dbraw/zinc/06/88/04/864068804.db2.gz KMQVZNLZKLJTFZ-KGLIPLIRSA-N 0 1 387.436 3.598 20 5 GHBDMN CCOC(=O)c1oc2c(c1C)[C@@H](NCc1ccc(OC)c([N+](=O)[O-])c1)CCC2 ZINC000567258276 864180142 /nfs/dbraw/zinc/18/01/42/864180142.db2.gz BVPCRBLWYGQYBI-AWEZNQCLSA-N 0 1 388.420 3.849 20 5 GHBDMN O=[N+]([O-])c1cc(CN[C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)ccc1Cl ZINC000734843823 864472479 /nfs/dbraw/zinc/47/24/79/864472479.db2.gz QLFPDMJBRPGHJN-GDBMZVCRSA-N 0 1 388.773 3.872 20 5 GHBDMN O=C(OC[C@@H]1CCCN(Cc2cc(F)ccc2F)C1)c1cccc([N+](=O)[O-])c1 ZINC000735888421 865033011 /nfs/dbraw/zinc/03/30/11/865033011.db2.gz CKXRDXBOYNTPHP-CQSZACIVSA-N 0 1 390.386 3.942 20 5 GHBDMN O=C(Nc1cnn(-c2ccncc2)c1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000608900511 865804634 /nfs/dbraw/zinc/80/46/34/865804634.db2.gz NJXFOBFUIRYLKX-UHFFFAOYSA-N 0 1 392.400 3.551 20 5 GHBDMN CSCCc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000609015586 865890582 /nfs/dbraw/zinc/89/05/82/865890582.db2.gz BAGHOFGZTTZKPT-UHFFFAOYSA-N 0 1 386.882 3.955 20 5 GHBDMN C[C@@H](NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)N1Cc2ccccc2C1 ZINC000475514748 866151240 /nfs/dbraw/zinc/15/12/40/866151240.db2.gz SPRXIXBLWPEXQA-OAHLLOKOSA-N 0 1 391.427 3.875 20 5 GHBDMN Cc1c(Br)cccc1CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000534178603 866237379 /nfs/dbraw/zinc/23/73/79/866237379.db2.gz XOZVAVVPNDGBTE-CQSZACIVSA-N 0 1 391.269 3.747 20 5 GHBDMN O=C(OCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000741326084 866405380 /nfs/dbraw/zinc/40/53/80/866405380.db2.gz JOJWCMYNOPLKNJ-GOSISDBHSA-N 0 1 386.423 3.732 20 5 GHBDMN Cc1c(COC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)cccc1[N+](=O)[O-] ZINC000741328336 866411640 /nfs/dbraw/zinc/41/16/40/866411640.db2.gz KWOPCAPSPWBLLT-KRWDZBQOSA-N 0 1 386.423 3.998 20 5 GHBDMN CCO[C@@H]1C[C@H](NCc2nc(-c3cccc([N+](=O)[O-])c3)no2)C12CCCCC2 ZINC000429776506 867322883 /nfs/dbraw/zinc/32/28/83/867322883.db2.gz STZNUUSMNSUAKL-DLBZAZTESA-N 0 1 386.452 3.862 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC000479424904 867768366 /nfs/dbraw/zinc/76/83/66/867768366.db2.gz SLDXYELMQSZDOK-MRXNPFEDSA-N 0 1 393.365 3.817 20 5 GHBDMN C[C@H](CN(C)Cc1ccccc1)NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445142038 867817837 /nfs/dbraw/zinc/81/78/37/867817837.db2.gz MPTVIMBJKLHXNJ-QGZVFWFLSA-N 0 1 399.494 3.932 20 5 GHBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000743465177 868214063 /nfs/dbraw/zinc/21/40/63/868214063.db2.gz VZAMKCODLTXMFN-AWEZNQCLSA-N 0 1 397.431 3.735 20 5 GHBDMN CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000480008740 868894365 /nfs/dbraw/zinc/89/43/65/868894365.db2.gz ABSUUTAWKDXNQN-HNNXBMFYSA-N 0 1 397.401 3.825 20 5 GHBDMN C[C@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000462302166 869203129 /nfs/dbraw/zinc/20/31/29/869203129.db2.gz WCVRFALMRLUDOE-VIFPVBQESA-N 0 1 375.233 3.941 20 5 GHBDMN Cc1ccc(Cl)cc1S(=O)(=O)Nc1ccc([N+](=O)[O-])c2ncccc12 ZINC000462379109 869327145 /nfs/dbraw/zinc/32/71/45/869327145.db2.gz ILVUBNBCZMQDQN-UHFFFAOYSA-N 0 1 377.809 3.906 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1CNCc1cc(Br)cc2c1OCC2 ZINC000462553242 869667187 /nfs/dbraw/zinc/66/71/87/869667187.db2.gz PBMQCTJPWVPYGF-UHFFFAOYSA-N 0 1 377.238 3.890 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000539968455 870127290 /nfs/dbraw/zinc/12/72/90/870127290.db2.gz AGPLVBDSTCENMT-OLZOCXBDSA-N 0 1 375.375 3.638 20 5 GHBDMN Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)c(C)c1 ZINC000446999371 870845777 /nfs/dbraw/zinc/84/57/77/870845777.db2.gz HQIINCQMDRYEGD-UHFFFAOYSA-N 0 1 385.239 3.775 20 5 GHBDMN COc1cc([C@H](C)NCC(=O)Nc2ccccc2[N+](=O)[O-])ccc1OC(C)C ZINC000540353027 871047376 /nfs/dbraw/zinc/04/73/76/871047376.db2.gz WEBQNYJJNLHWMA-AWEZNQCLSA-N 0 1 387.436 3.680 20 5 GHBDMN C[C@H](c1ccccc1)[C@H](CO)NCc1c(Br)cccc1[N+](=O)[O-] ZINC001168993889 871074829 /nfs/dbraw/zinc/07/48/29/871074829.db2.gz KINNQGYDGVMOTC-WBMJQRKESA-N 0 1 379.254 3.612 20 5 GHBDMN CC(C)(C)OC(=O)N1CCN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)[C@@H](c2ccccc2)C1 ZINC001169011627 871093881 /nfs/dbraw/zinc/09/38/81/871093881.db2.gz LSYFHEGKQNSIAQ-BHIYHBOVSA-N 0 1 389.496 3.726 20 5 GHBDMN CC(C)(C)OC(=O)N1CCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)[C@@H](c2ccccc2)C1 ZINC001169011629 871096186 /nfs/dbraw/zinc/09/61/86/871096186.db2.gz LSYFHEGKQNSIAQ-QXAKKESOSA-N 0 1 389.496 3.726 20 5 GHBDMN O=[N+]([O-])c1cccc(Br)c1CN[C@@H]1CCc2ccccc2OC1 ZINC001193796484 871311539 /nfs/dbraw/zinc/31/15/39/871311539.db2.gz GRKPEDYERCLNKA-CYBMUJFWSA-N 0 1 377.238 3.841 20 5 GHBDMN Cc1ccc([C@@H](C)NCC(=O)Nc2ccnn2CC2CCCCC2)cc1[N+](=O)[O-] ZINC000540479201 871360912 /nfs/dbraw/zinc/36/09/12/871360912.db2.gz UYUADTBTMHPHRW-MRXNPFEDSA-N 0 1 399.495 3.969 20 5 GHBDMN CSc1ccc(CN(C)C(=O)CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000181807854 871497337 /nfs/dbraw/zinc/49/73/37/871497337.db2.gz DJKGASXNWHBTNK-OAHLLOKOSA-N 0 1 387.505 3.934 20 5 GHBDMN CCOC(=O)C1(Nc2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)CCN(C)CC1 ZINC001169495728 871553043 /nfs/dbraw/zinc/55/30/43/871553043.db2.gz PAOCTFHZSDITEJ-UHFFFAOYSA-N 0 1 383.448 3.701 20 5 GHBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H](C)c1ccc(Br)cc1 ZINC000539244361 871585921 /nfs/dbraw/zinc/58/59/21/871585921.db2.gz RQHSCBWLLHGNHK-GFCCVEGCSA-N 0 1 392.253 3.955 20 5 GHBDMN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000462167782 871728835 /nfs/dbraw/zinc/72/88/35/871728835.db2.gz CFFNKIPIRITNMJ-VQIMIIECSA-N 0 1 381.476 3.770 20 5 GHBDMN O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCN(CC2CCCCC2)CC1 ZINC000463509973 871908823 /nfs/dbraw/zinc/90/88/23/871908823.db2.gz UYUIEDYTUPADTB-UHFFFAOYSA-N 0 1 399.413 3.952 20 5 GHBDMN CCN(C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1)CC(F)(F)F ZINC000182211855 872010221 /nfs/dbraw/zinc/01/02/21/872010221.db2.gz KTLAGWLBGLINPG-LBPRGKRZSA-N 0 1 379.810 3.954 20 5 GHBDMN C[C@H](C(=O)NC[C@@H](c1ccco1)N1CCCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000182283013 872133594 /nfs/dbraw/zinc/13/35/94/872133594.db2.gz OVWGRWMFNDRDII-KSSFIOAISA-N 0 1 389.427 3.774 20 5 GHBDMN CSc1cccc(C(=O)NCCN2CC=C(C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000552166252 872181773 /nfs/dbraw/zinc/18/17/73/872181773.db2.gz RDXPMHLDWZZJTB-UHFFFAOYSA-N 0 1 377.510 3.725 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H](CCC(=O)OC(C)(C)C)C1 ZINC001195232595 872240581 /nfs/dbraw/zinc/24/05/81/872240581.db2.gz FXSMDIAMMJZGMK-HNNXBMFYSA-N 0 1 378.469 3.937 20 5 GHBDMN CCOc1cc(N2CCN(Cc3ccnc4ccccc34)CC2)ccc1[N+](=O)[O-] ZINC000526992575 872436497 /nfs/dbraw/zinc/43/64/97/872436497.db2.gz AAWZITIZXCXQMY-UHFFFAOYSA-N 0 1 392.459 3.864 20 5 GHBDMN CC(C)c1nc(CC2CCN(Cc3c(F)cc([N+](=O)[O-])cc3F)CC2)n[nH]1 ZINC001195695274 872590319 /nfs/dbraw/zinc/59/03/19/872590319.db2.gz WXTMJVXQZVLGHF-UHFFFAOYSA-N 0 1 379.411 3.569 20 5 GHBDMN CC(C)c1nnc(CC2CCN(Cc3c(F)cc([N+](=O)[O-])cc3F)CC2)[nH]1 ZINC001195695274 872590331 /nfs/dbraw/zinc/59/03/31/872590331.db2.gz WXTMJVXQZVLGHF-UHFFFAOYSA-N 0 1 379.411 3.569 20 5 GHBDMN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000478160502 872601738 /nfs/dbraw/zinc/60/17/38/872601738.db2.gz DCIIBASLKIAUFY-INIZCTEOSA-N 0 1 385.489 3.711 20 5 GHBDMN CCN(CC)Cc1ccc(C(=O)Nc2cc(C)nc3ccc([N+](=O)[O-])cc32)o1 ZINC000613195506 872773454 /nfs/dbraw/zinc/77/34/54/872773454.db2.gz QOBAYYLWVWQJRG-UHFFFAOYSA-N 0 1 382.420 3.560 20 5 GHBDMN COCc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1 ZINC000541070161 872845750 /nfs/dbraw/zinc/84/57/50/872845750.db2.gz DJDQNSYZOXFLBG-UHFFFAOYSA-N 0 1 390.339 3.561 20 5 GHBDMN CC(C)(C)OC(=O)N[C@@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000768242954 873203516 /nfs/dbraw/zinc/20/35/16/873203516.db2.gz AEQSNJQOYVOSPI-OAHLLOKOSA-N 0 1 387.436 3.954 20 5 GHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000768736212 873543234 /nfs/dbraw/zinc/54/32/34/873543234.db2.gz UCAOWRUXWKPIAO-GFCCVEGCSA-N 0 1 380.322 3.949 20 5 GHBDMN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000768865772 873629898 /nfs/dbraw/zinc/62/98/98/873629898.db2.gz NUEIBSLMZIRKMG-UHFFFAOYSA-N 0 1 385.785 3.574 20 5 GHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N(Cc1ccccc1)C[C@@H](O)c1ccccc1 ZINC000804405816 882789204 /nfs/dbraw/zinc/78/92/04/882789204.db2.gz FENNQYZLRWEARC-OAQYLSRUSA-N 0 1 392.411 3.676 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1nc2ccc(Br)cc2[nH]1 ZINC000464552468 874069349 /nfs/dbraw/zinc/06/93/49/874069349.db2.gz LCLVUMWBICLLDA-UHFFFAOYSA-N 0 1 375.182 3.794 20 5 GHBDMN COc1ccc2nc(S[C@@H](C)C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)[nH]c2c1 ZINC000004273651 874153617 /nfs/dbraw/zinc/15/36/17/874153617.db2.gz LYDUBQZAEONXKI-VIFPVBQESA-N 0 1 390.396 3.738 20 5 GHBDMN CC(C)[C@H](N[C@H](C)Cc1ccccc1[N+](=O)[O-])c1nc(-c2ccncc2)no1 ZINC000449223184 874612420 /nfs/dbraw/zinc/61/24/20/874612420.db2.gz JLFSXRNFUIPVKC-KDOFPFPSSA-N 0 1 381.436 3.958 20 5 GHBDMN O=C(Nc1cccc(-c2cn[nH]n2)c1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000443673447 874794504 /nfs/dbraw/zinc/79/45/04/874794504.db2.gz HKMQEGMTHLKTBR-UHFFFAOYSA-N 0 1 377.282 3.651 20 5 GHBDMN Cn1cc(Br)c(CN[C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])n1 ZINC000449483766 874932896 /nfs/dbraw/zinc/93/28/96/874932896.db2.gz KLTJPYRRFFXCBD-DOMZBBRYSA-N 0 1 393.285 3.592 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc(F)c(OC(C)C)c(F)c1 ZINC000542237736 875202395 /nfs/dbraw/zinc/20/23/95/875202395.db2.gz MYODRHBVGLQBAJ-UHFFFAOYSA-N 0 1 386.376 3.769 20 5 GHBDMN Cc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)c(Br)c1 ZINC000129920120 875733451 /nfs/dbraw/zinc/73/34/51/875733451.db2.gz SMNGJONJLWLPPV-UHFFFAOYSA-N 0 1 385.239 3.775 20 5 GHBDMN COC(=O)Cc1ccc(NC[C@@H](c2ccco2)N2CCCCC2)c([N+](=O)[O-])c1 ZINC000450217508 876097340 /nfs/dbraw/zinc/09/73/40/876097340.db2.gz RVLASJYGZJMVHK-SFHVURJKSA-N 0 1 387.436 3.542 20 5 GHBDMN Cc1[nH+]c2ccc(Cl)cn2c1[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000785550922 876103028 /nfs/dbraw/zinc/10/30/28/876103028.db2.gz TVPYEKHCQKXJPI-UHFFFAOYSA-N 0 1 394.840 3.622 20 5 GHBDMN O=[N+]([O-])c1ccc([C@@H](O)CN2CCC(Oc3ccccc3Cl)CC2)cc1 ZINC000776274712 876138143 /nfs/dbraw/zinc/13/81/43/876138143.db2.gz CAWNKIZEFNTLCC-SFHVURJKSA-N 0 1 376.840 3.825 20 5 GHBDMN COC(=O)COc1ccc(CN[C@H]2CCc3ccc(Cl)cc32)cc1[N+](=O)[O-] ZINC000858320334 883021233 /nfs/dbraw/zinc/02/12/33/883021233.db2.gz ANQQRSFHFXZMLV-INIZCTEOSA-N 0 1 390.823 3.577 20 5 GHBDMN COc1ccc(NC(=O)[C@H](C)N(C)CCc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000492419139 876774853 /nfs/dbraw/zinc/77/48/53/876774853.db2.gz BXFPXIPCDZHZOV-ZDUSSCGKSA-N 0 1 391.855 3.758 20 5 GHBDMN CCOc1ccc([C@H](C)NCc2ccc(N3CCCNC3=O)cc2)cc1[N+](=O)[O-] ZINC000850575694 877042925 /nfs/dbraw/zinc/04/29/25/877042925.db2.gz YVJAHKGGVPODHA-HNNXBMFYSA-N 0 1 398.463 3.764 20 5 GHBDMN C[C@@H](C(=O)N1CCc2c1cccc2[N+](=O)[O-])N1CCC(Cc2ccccc2)CC1 ZINC000609992824 877289255 /nfs/dbraw/zinc/28/92/55/877289255.db2.gz UWNKGRNFNGTRRC-KRWDZBQOSA-N 0 1 393.487 3.827 20 5 GHBDMN CCOc1cc(CN2CCC[C@H](C(=O)Nc3ccc(C)cn3)C2)ccc1[N+](=O)[O-] ZINC000492725413 877425217 /nfs/dbraw/zinc/42/52/17/877425217.db2.gz XNJSKARURKAWJS-KRWDZBQOSA-N 0 1 398.463 3.548 20 5 GHBDMN O=C(NC1CC1)[C@H](NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000477341170 877463188 /nfs/dbraw/zinc/46/31/88/877463188.db2.gz WQFVZYAHZBEQEO-GOSISDBHSA-N 0 1 391.830 3.539 20 5 GHBDMN Cc1ccc(CNCc2ccc(C(C)C)c([N+](=O)[O-])c2)cc1S(C)(=O)=O ZINC000444001210 877498155 /nfs/dbraw/zinc/49/81/55/877498155.db2.gz KFXDVCMEFXLTKO-UHFFFAOYSA-N 0 1 376.478 3.720 20 5 GHBDMN CCC(=O)c1ccc(N[C@H](CN2CCN(C)CC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000530422372 877757904 /nfs/dbraw/zinc/75/79/04/877757904.db2.gz LIUGEVNZDFUWDX-HXUWFJFHSA-N 0 1 396.491 3.588 20 5 GHBDMN Cc1[nH]nc2cc(NC(=O)c3ccc(Br)cc3[N+](=O)[O-])ccc12 ZINC000537705546 877770824 /nfs/dbraw/zinc/77/08/24/877770824.db2.gz LCUUWPMYFNHQKU-UHFFFAOYSA-N 0 1 375.182 3.794 20 5 GHBDMN Cc1cc(C(F)(F)F)ccc1CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000615504195 877802919 /nfs/dbraw/zinc/80/29/19/877802919.db2.gz PYWVITKTPOLSCZ-UHFFFAOYSA-N 0 1 380.370 3.639 20 5 GHBDMN O=C(NCCN1CC=CCC1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000477645537 877971623 /nfs/dbraw/zinc/97/16/23/877971623.db2.gz VNWDZKSMCSUDIP-UHFFFAOYSA-N 0 1 383.473 3.738 20 5 GHBDMN CN1CCN(C[C@H](Nc2nc3ccccc3cc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000530543036 877997304 /nfs/dbraw/zinc/99/73/04/877997304.db2.gz QOLLQFNUUSRGAW-FQEVSTJZSA-N 0 1 391.475 3.544 20 5 GHBDMN CN(C)[C@@H](CNC(=O)CCc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000530790383 878487017 /nfs/dbraw/zinc/48/70/17/878487017.db2.gz GOTDETOUNCDPAZ-SFHVURJKSA-N 0 1 375.856 3.600 20 5 GHBDMN Cc1c(CNC(=O)NC[C@@H](c2ccc(Cl)cc2)N(C)C)cccc1[N+](=O)[O-] ZINC000616248960 878696811 /nfs/dbraw/zinc/69/68/11/878696811.db2.gz WDHHPNCILUQZQP-SFHVURJKSA-N 0 1 390.871 3.659 20 5 GHBDMN C[C@@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(-n2cccn2)cc1 ZINC000180849664 879383680 /nfs/dbraw/zinc/38/36/80/879383680.db2.gz HBNWXWWJHWYXSM-CYBMUJFWSA-N 0 1 399.838 3.723 20 5 GHBDMN Cc1ccc(NC(=O)[C@H](N[C@H]2CCC[C@@]2(C)CO)c2ccccc2)c([N+](=O)[O-])c1 ZINC000493442517 879437680 /nfs/dbraw/zinc/43/76/80/879437680.db2.gz MOPDZKARCAMAHK-VWPQPMDRSA-N 0 1 397.475 3.724 20 5 GHBDMN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1n[nH]c(C(C)C)n1 ZINC000452426296 879448007 /nfs/dbraw/zinc/44/80/07/879448007.db2.gz WMHHJNUJIGICTR-UHFFFAOYSA-N 0 1 377.470 3.659 20 5 GHBDMN C[C@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccncc2)cc1 ZINC000180908733 879482722 /nfs/dbraw/zinc/48/27/22/879482722.db2.gz NMRMKWYWGLBZIY-INIZCTEOSA-N 0 1 390.443 3.970 20 5 GHBDMN CC[C@@H](NCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1ccc(Cl)s1 ZINC000544448347 879553658 /nfs/dbraw/zinc/55/36/58/879553658.db2.gz FMNWAPWSCIDLRK-LLVKDONJSA-N 0 1 383.857 3.998 20 5 GHBDMN C[C@@H](N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000538501446 879584414 /nfs/dbraw/zinc/58/44/14/879584414.db2.gz MGMDXRJOJYFXIW-DIFFPNOSSA-N 0 1 377.803 3.843 20 5 GHBDMN O=C1[C@H](NCc2cccc([N+](=O)[O-])c2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000543703584 879607579 /nfs/dbraw/zinc/60/75/79/879607579.db2.gz KWXNMLMSGSPOSH-MRXNPFEDSA-N 0 1 380.231 3.797 20 5 GHBDMN Cc1c2ccc(NS(=O)(=O)c3cc(Cl)c(C)c([N+](=O)[O-])c3)cc2nn1C ZINC000461337049 879635167 /nfs/dbraw/zinc/63/51/67/879635167.db2.gz YVJOBJVMFLGIKX-UHFFFAOYSA-N 0 1 394.840 3.553 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000152760072 879669819 /nfs/dbraw/zinc/66/98/19/879669819.db2.gz DRMJGJSZOVUNDO-QGZVFWFLSA-N 0 1 377.404 3.666 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000152760072 879669824 /nfs/dbraw/zinc/66/98/24/879669824.db2.gz DRMJGJSZOVUNDO-QGZVFWFLSA-N 0 1 377.404 3.666 20 5 GHBDMN CCN(CC)[C@H](CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])c1ccco1 ZINC000790590540 879848324 /nfs/dbraw/zinc/84/83/24/879848324.db2.gz DEDAKJHBDMDUJN-MRXNPFEDSA-N 0 1 397.834 3.722 20 5 GHBDMN Cc1ccccc1CN1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000031766494 879981530 /nfs/dbraw/zinc/98/15/30/879981530.db2.gz NYKOZQGBTIKFPE-UHFFFAOYSA-N 0 1 387.867 3.905 20 5 GHBDMN O=C(N[C@@H]1CCc2nc(C3CCCCC3)[nH]c2C1)c1ccc(F)cc1[N+](=O)[O-] ZINC000791269123 880294761 /nfs/dbraw/zinc/29/47/61/880294761.db2.gz AKILWKUASCOQQT-CQSZACIVSA-N 0 1 386.427 3.792 20 5 GHBDMN O=C(Nc1ccc2nc(-c3ccc(F)cc3)[nH]c2c1)c1ccc([N+](=O)[O-])cn1 ZINC000531878051 880670154 /nfs/dbraw/zinc/67/01/54/880670154.db2.gz KRYAUJFAFQBEKL-UHFFFAOYSA-N 0 1 377.335 3.925 20 5 GHBDMN CCNC(=O)C(C)(C)NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000453599833 881095838 /nfs/dbraw/zinc/09/58/38/881095838.db2.gz CSJVETURKTZNKA-UHFFFAOYSA-N 0 1 375.400 3.531 20 5 GHBDMN O=C1[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C[C@@H]2CCCCN12 ZINC000453637538 881187779 /nfs/dbraw/zinc/18/77/79/881187779.db2.gz UYYBIUSSWDOWRC-YVEFUNNKSA-N 0 1 389.839 3.751 20 5 GHBDMN O=C1[C@@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C[C@@H]2CCCCN12 ZINC000453637536 881187919 /nfs/dbraw/zinc/18/79/19/881187919.db2.gz UYYBIUSSWDOWRC-SJCJKPOMSA-N 0 1 389.839 3.751 20 5 GHBDMN Cc1ccc(NC(=O)[C@H](N[C@@]2(C)CCO[C@H]2C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000494231145 881305229 /nfs/dbraw/zinc/30/52/29/881305229.db2.gz PINJVPDOGMTWBP-DLVCFXQMSA-N 0 1 383.448 3.740 20 5 GHBDMN O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1cc(Cl)c(O)cc1F ZINC000805254965 883719449 /nfs/dbraw/zinc/71/94/49/883719449.db2.gz HSDXZLQSMKXBIA-UHFFFAOYSA-N 0 1 383.719 3.572 20 5 GHBDMN C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000859801523 884076160 /nfs/dbraw/zinc/07/61/60/884076160.db2.gz SGHYZIUZRRTOPI-OAHLLOKOSA-N 0 1 387.867 3.985 20 5 GHBDMN C[C@@H]1[C@@H](C)N(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)[C@@H](C)CN1C ZINC001130368816 884096227 /nfs/dbraw/zinc/09/62/27/884096227.db2.gz AVHCUBVGXNYIOA-ARFHVFGLSA-N 0 1 382.464 3.892 20 5 GHBDMN Cc1c(CC(=O)N2C[C@H](C)N(Cc3ccccc3)[C@@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC001130458495 884262945 /nfs/dbraw/zinc/26/29/45/884262945.db2.gz OIQIVJOPLJLXRE-WDSOQIARSA-N 0 1 395.503 3.956 20 5 GHBDMN O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000495040200 884418940 /nfs/dbraw/zinc/41/89/40/884418940.db2.gz BZMPEJXBYJCBSH-UHFFFAOYSA-N 0 1 391.840 3.542 20 5 GHBDMN Cc1ccc(Sc2ccc(CN[C@H]3CCCCNC3=O)cc2[N+](=O)[O-])cc1 ZINC000237875494 884723829 /nfs/dbraw/zinc/72/38/29/884723829.db2.gz GXBRCLMKJAYDRN-KRWDZBQOSA-N 0 1 385.489 3.813 20 5 GHBDMN CN(C(=O)c1cccc([N+](=O)[O-])c1Cl)C1CCN(CCC(F)(F)F)CC1 ZINC000861938096 886010824 /nfs/dbraw/zinc/01/08/24/886010824.db2.gz AZBOTKCPVQQPTG-UHFFFAOYSA-N 0 1 393.793 3.737 20 5 GHBDMN COc1ccc(-c2n[nH]c(SCc3ccc([N+](=O)[O-])cc3F)n2)c(OC)c1 ZINC000476484948 886024136 /nfs/dbraw/zinc/02/41/36/886024136.db2.gz SGULDACHBBMKLZ-UHFFFAOYSA-N 0 1 390.396 3.829 20 5 GHBDMN Cc1cccnc1[C@H](NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C(C)C ZINC000118839759 886248378 /nfs/dbraw/zinc/24/83/78/886248378.db2.gz QVSMKIJOABCQNB-QGZVFWFLSA-N 0 1 376.844 3.877 20 5 GHBDMN CN(C)[C@H](CNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000915308954 886300414 /nfs/dbraw/zinc/30/04/14/886300414.db2.gz BIDJJUUHFMKNFP-MRXNPFEDSA-N 0 1 380.807 3.812 20 5 GHBDMN COc1ccc(C[C@@H](C)CN[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000556883627 886443545 /nfs/dbraw/zinc/44/35/45/886443545.db2.gz FZGLJYUAKMQPEL-IIBYNOLFSA-N 0 1 394.475 3.895 20 5 GHBDMN O=[N+]([O-])c1ccc(F)c(NS(=O)(=O)c2c(F)cccc2OC(F)(F)F)c1 ZINC000808544913 886499241 /nfs/dbraw/zinc/49/92/41/886499241.db2.gz YBNMLFNQSWNIMY-UHFFFAOYSA-N 0 1 398.265 3.572 20 5 GHBDMN Cn1cnc([N+](=O)[O-])c1CSc1nc(-c2cc(Cl)cc(Cl)c2)n[nH]1 ZINC000476506556 886604351 /nfs/dbraw/zinc/60/43/51/886604351.db2.gz AVZNBTATEHYHOL-UHFFFAOYSA-N 0 1 385.236 3.713 20 5 GHBDMN O=C(Nc1nc(-c2ccc(Cl)cc2)n[nH]1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000536507574 886619361 /nfs/dbraw/zinc/61/93/61/886619361.db2.gz DGZNSVATNLIHQR-UHFFFAOYSA-N 0 1 382.767 3.767 20 5 GHBDMN CN1CCN(C[C@@H](Nc2ccc3ncccc3c2[N+](=O)[O-])c2ccccc2)CC1 ZINC000536537384 886846655 /nfs/dbraw/zinc/84/66/55/886846655.db2.gz NTJWMSMINJRXFW-OAQYLSRUSA-N 0 1 391.475 3.544 20 5 GHBDMN O=C(Cc1ccc(F)cc1[N+](=O)[O-])Nc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC001127381588 887260921 /nfs/dbraw/zinc/26/09/21/887260921.db2.gz QDOABSMBMKVDPB-UHFFFAOYSA-N 0 1 382.273 3.810 20 5 GHBDMN CC(C)[C@H](CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC000272565312 887771799 /nfs/dbraw/zinc/77/17/99/887771799.db2.gz UUOYUMIXQVIHDA-VQTJNVASSA-N 0 1 379.464 3.842 20 5 GHBDMN CC(C)[C@@H](CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC000272565309 887776186 /nfs/dbraw/zinc/77/61/86/887776186.db2.gz UUOYUMIXQVIHDA-UXHICEINSA-N 0 1 379.464 3.842 20 5 GHBDMN CC[C@@H](CC(F)(F)F)NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809830844 887852794 /nfs/dbraw/zinc/85/27/94/887852794.db2.gz GIGSVHDXOWYLHM-LURJTMIESA-N 0 1 395.186 3.911 20 5 GHBDMN O=[N+]([O-])c1cc(S(=O)(=O)NCCCC(F)(F)F)c(Cl)cc1Cl ZINC000809822353 887876815 /nfs/dbraw/zinc/87/68/15/887876815.db2.gz IMBHHNLFVUAPKK-UHFFFAOYSA-N 0 1 381.159 3.522 20 5 GHBDMN CC[C@@H](N[C@H](C)Cc1ccc(F)cc1[N+](=O)[O-])c1nnc2n1CCCCC2 ZINC000866254129 888802204 /nfs/dbraw/zinc/80/22/04/888802204.db2.gz MBSZOXKTDDVMEU-CZUORRHYSA-N 0 1 375.448 3.724 20 5 GHBDMN Cc1ccc(CN[C@@H](C)c2ccc(S(=O)(=O)C(F)F)cc2)cc1[N+](=O)[O-] ZINC000866539276 888923752 /nfs/dbraw/zinc/92/37/52/888923752.db2.gz AUMAJHIMCADAFJ-LBPRGKRZSA-N 0 1 384.404 3.750 20 5 GHBDMN O=C(NCc1ccc(Nc2ccncc2)cc1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001168512075 889308308 /nfs/dbraw/zinc/30/83/08/889308308.db2.gz GHMUJLHNAMLOAI-UHFFFAOYSA-N 0 1 387.399 3.567 20 5 GHBDMN O=C(CN(Cc1ccc(F)cc1)CC1CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000532976726 889436475 /nfs/dbraw/zinc/43/64/75/889436475.db2.gz PWMJJBMAKJILEJ-UHFFFAOYSA-N 0 1 383.423 3.535 20 5 GHBDMN O=[N+]([O-])c1cc(CO)c(NC2CCN(Cc3ccc(Cl)cc3)CC2)cc1F ZINC001184658835 913347730 /nfs/dbraw/zinc/34/77/30/913347730.db2.gz OHLDATWZXPBTEF-UHFFFAOYSA-N 0 1 393.846 3.956 20 5 GHBDMN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CN[C@@H]1CCN(c2ncccc2F)C1 ZINC000811484724 889636332 /nfs/dbraw/zinc/63/63/32/889636332.db2.gz IBMOGGXRWHKMCD-GFCCVEGCSA-N 0 1 385.226 3.804 20 5 GHBDMN C[C@@H](CNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000811498603 889651070 /nfs/dbraw/zinc/65/10/70/889651070.db2.gz ZKSFGMPMBBAWAK-VIFPVBQESA-N 0 1 378.256 3.904 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)[C@H](C)Cc1ccc(Cl)cc1 ZINC000533300257 890243129 /nfs/dbraw/zinc/24/31/29/890243129.db2.gz LSTRZIQGWQDORZ-CYBMUJFWSA-N 0 1 391.855 3.758 20 5 GHBDMN CCN(CC)[C@H](CNC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl)c1ccco1 ZINC000825595916 891235611 /nfs/dbraw/zinc/23/56/11/891235611.db2.gz UWIXMORCBUJJBQ-MRXNPFEDSA-N 0 1 379.844 3.963 20 5 GHBDMN O=C(Cc1ccc(F)cc1[N+](=O)[O-])Nc1nc2cccc(Br)c2[nH]1 ZINC001133617497 891290996 /nfs/dbraw/zinc/29/09/96/891290996.db2.gz SZUVJNMPVRRCAL-UHFFFAOYSA-N 0 1 393.172 3.554 20 5 GHBDMN O=C(NCc1nc2ccc(F)cc2[nH]1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000813468744 891666503 /nfs/dbraw/zinc/66/65/03/891666503.db2.gz VKYCMVRBPQAURV-UHFFFAOYSA-N 0 1 383.166 3.847 20 5 GHBDMN COc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2C)N2CCCCC2)cc1 ZINC000497694613 892179449 /nfs/dbraw/zinc/17/94/49/892179449.db2.gz XNHJPVZWXSJGFZ-OAQYLSRUSA-N 0 1 397.475 3.869 20 5 GHBDMN COc1cc(CN(C)[C@H]2CCCN(c3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000536668314 893488834 /nfs/dbraw/zinc/48/88/34/893488834.db2.gz SUQMBICDWOYSIX-SFHVURJKSA-N 0 1 385.464 3.713 20 5 GHBDMN CC(=O)N(C)c1ccc(CNCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000877654954 893746586 /nfs/dbraw/zinc/74/65/86/893746586.db2.gz YIWOPOVYDHHWHW-UHFFFAOYSA-N 0 1 381.354 3.886 20 5 GHBDMN COc1ccc(CN2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)cc1[N+](=O)[O-] ZINC000459658979 894005323 /nfs/dbraw/zinc/00/53/23/894005323.db2.gz JTBXGADOVUVLMQ-MRXNPFEDSA-N 0 1 388.386 3.784 20 5 GHBDMN COc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])c(C)cc2C)N2CCCC2)cc1 ZINC001135450953 894607013 /nfs/dbraw/zinc/60/70/13/894607013.db2.gz LRZJCGNMDFIOIP-NRFANRHFSA-N 0 1 397.475 3.787 20 5 GHBDMN COc1cc(CN2CC[C@H](c3nccs3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000880319445 895636888 /nfs/dbraw/zinc/63/68/88/895636888.db2.gz GUMFXYDJSQSURD-NSHDSACASA-N 0 1 399.419 3.693 20 5 GHBDMN Cc1ccc2nc([C@H]3CCCN3Cc3cc([N+](=O)[O-])cc4c3OCOC4)[nH]c2c1 ZINC000566882834 896662380 /nfs/dbraw/zinc/66/23/80/896662380.db2.gz YZDUIZUGYPHILU-LJQANCHMSA-N 0 1 394.431 3.983 20 5 GHBDMN Cc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc2oc(CN3CCCC3)nc2c1 ZINC000820497828 897340260 /nfs/dbraw/zinc/34/02/60/897340260.db2.gz OAQIBNXATUFCHH-UHFFFAOYSA-N 0 1 380.404 3.893 20 5 GHBDMN C[C@@H](N[C@H]1CC2(CCOCC2)Oc2ccccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000883385043 897546613 /nfs/dbraw/zinc/54/66/13/897546613.db2.gz DFFPPBPJEMXLJK-KDOFPFPSSA-N 0 1 383.448 3.901 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2cc(NS(=O)(=O)Cc3cccc(Cl)c3)[nH]n2)c1 ZINC000568678618 898029564 /nfs/dbraw/zinc/02/95/64/898029564.db2.gz RVKDWOVEVMHYLE-UHFFFAOYSA-N 0 1 392.824 3.580 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2cc(NS(=O)(=O)Cc3cccc(Cl)c3)n[nH]2)c1 ZINC000568678618 898029572 /nfs/dbraw/zinc/02/95/72/898029572.db2.gz RVKDWOVEVMHYLE-UHFFFAOYSA-N 0 1 392.824 3.580 20 5 GHBDMN CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@@H+]([C@H](C)C(=O)[O-])C2CCC2)cc1OC ZINC000569260236 898480389 /nfs/dbraw/zinc/48/03/89/898480389.db2.gz OFWNNLIKQVEVDS-ZIAGYGMSSA-N 0 1 394.468 3.856 20 5 GHBDMN CC(C)(C)OC(=O)CC[C@H]1CCCCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000823243348 898937836 /nfs/dbraw/zinc/93/78/36/898937836.db2.gz JIQGLEHZJONYQI-SJLPKXTDSA-N 0 1 378.469 3.605 20 5 GHBDMN CC(C)(C)OC(=O)CC[C@@H]1CCCC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000823244897 898937853 /nfs/dbraw/zinc/93/78/53/898937853.db2.gz ZVABWFYJCIZXNY-FUHWJXTLSA-N 0 1 378.469 3.605 20 5 GHBDMN CC(C)c1nc([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2Cl)n[nH]1 ZINC000331838910 899201790 /nfs/dbraw/zinc/20/17/90/899201790.db2.gz BHFOGEJHWHIUER-CQSZACIVSA-N 0 1 377.832 3.857 20 5 GHBDMN CCc1[nH]nc(C(=O)N2CC[C@H](Sc3cccc(Cl)c3)C2)c1[N+](=O)[O-] ZINC000571591194 899920726 /nfs/dbraw/zinc/92/07/26/899920726.db2.gz PLNJNJUMGRSZQD-LBPRGKRZSA-N 0 1 380.857 3.541 20 5 GHBDMN O=C(NC[C@@H](c1cccs1)N1CCCC1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000136169209 900601497 /nfs/dbraw/zinc/60/14/97/900601497.db2.gz XADMSBYCPJFVJM-HNNXBMFYSA-N 0 1 379.869 3.877 20 5 GHBDMN O=[N+]([O-])c1cc(I)cc(CN[C@@H]2CCCc3occc32)c1 ZINC000574203602 900817738 /nfs/dbraw/zinc/81/77/38/900817738.db2.gz VXFVFJCDGMAHEO-CQSZACIVSA-N 0 1 398.200 3.960 20 5 GHBDMN C[N@H+]1CCC[C@H](CNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000574210599 900820339 /nfs/dbraw/zinc/82/03/39/900820339.db2.gz VZHHRAYABJDBDW-DYVFJYSZSA-N 0 1 375.450 3.850 20 5 GHBDMN C[C@H]1CC2(CN1Cc1cccnc1[N+](=O)[O-])CCN(C(=O)OC(C)(C)C)CC2 ZINC000886251733 900910113 /nfs/dbraw/zinc/91/01/13/900910113.db2.gz JWOZGHWDFJGLJN-HNNXBMFYSA-N 0 1 390.484 3.601 20 5 GHBDMN COc1cc(CN2CCC(CN(C)C(=O)OC(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000778943624 902048940 /nfs/dbraw/zinc/04/89/40/902048940.db2.gz YUAZKJJYJALCHI-UHFFFAOYSA-N 0 1 393.484 3.682 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2nc(CN3CCCN4c5ccccc5C[C@H]4C3)co2)cc1 ZINC000576506231 902065243 /nfs/dbraw/zinc/06/52/43/902065243.db2.gz NMTVLZUZPZWYSV-FQEVSTJZSA-N 0 1 390.443 3.887 20 5 GHBDMN Cc1ccnc([C@H]2CCN([C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)c1 ZINC000576595561 902117069 /nfs/dbraw/zinc/11/70/69/902117069.db2.gz NJUHIPBJRIGNDD-ZBFHGGJFSA-N 0 1 379.420 3.899 20 5 GHBDMN Cc1cc(N2CCC[C@H](N3CCOCC3)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000576886345 902333778 /nfs/dbraw/zinc/33/37/78/902333778.db2.gz JKGHUXRNJGEQBP-AWEZNQCLSA-N 0 1 387.402 3.613 20 5 GHBDMN C[C@H]1COCCN1C1CCN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000846916141 903302418 /nfs/dbraw/zinc/30/24/18/903302418.db2.gz CMXREYUDSXTQSE-LBPRGKRZSA-N 0 1 388.295 3.587 20 5 GHBDMN CC[N@@H+](CCC1CCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1)CC(C)C ZINC000577955081 903383259 /nfs/dbraw/zinc/38/32/59/903383259.db2.gz BFDBKQRVUYVLGX-UHFFFAOYSA-N 0 1 377.485 3.877 20 5 GHBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000136127072 903761759 /nfs/dbraw/zinc/76/17/59/903761759.db2.gz UUYJFGUPYCZSNX-OAHLLOKOSA-N 0 1 385.468 3.688 20 5 GHBDMN Cc1ccc([C@H](C)NCc2cccc(NC(=O)[C@@H]3CCCO3)c2)cc1[N+](=O)[O-] ZINC000153386123 904358994 /nfs/dbraw/zinc/35/89/94/904358994.db2.gz UJCMRJSZEGLKCA-YWZLYKJASA-N 0 1 383.448 3.872 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(OCc2ccccn2)c1 ZINC000036760523 904519046 /nfs/dbraw/zinc/51/90/46/904519046.db2.gz UMMXVDFOOMAKLJ-UHFFFAOYSA-N 0 1 399.428 3.678 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2noc(CN3CC[C@H](COCc4ccccc4)C3)n2)c1 ZINC000173989500 905178957 /nfs/dbraw/zinc/17/89/57/905178957.db2.gz ANIUGFWSBQORIQ-KRWDZBQOSA-N 0 1 394.431 3.684 20 5 GHBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[C@@](CO)(c2ccccc2)C1 ZINC000801582086 921160045 /nfs/dbraw/zinc/16/00/45/921160045.db2.gz RYBMUDWFHFFFOG-JOCHJYFZSA-N 0 1 384.476 3.908 20 5 GHBDMN O=C1CCN(C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)[C@H]2CCCC[C@@H]12 ZINC001173010553 906086481 /nfs/dbraw/zinc/08/64/81/906086481.db2.gz USSRAWANFSAVSR-QAPCUYQASA-N 0 1 393.434 3.675 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CCC[C@H](C(=O)OC(C)(C)C)C2)c1F ZINC001173189683 906270010 /nfs/dbraw/zinc/27/00/10/906270010.db2.gz LTFRTRUBSBIFKC-KGLIPLIRSA-N 0 1 396.459 3.727 20 5 GHBDMN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC001173225015 906307410 /nfs/dbraw/zinc/30/74/10/906307410.db2.gz ATUCPXGOHZOAJN-AWEZNQCLSA-N 0 1 394.397 3.762 20 5 GHBDMN C[C@H](Cc1ccc([N+](=O)[O-])cc1)NC1(c2cccc(Br)c2)COC1 ZINC001173214634 906330784 /nfs/dbraw/zinc/33/07/84/906330784.db2.gz DAMMHNITWXALDZ-CYBMUJFWSA-N 0 1 391.265 3.804 20 5 GHBDMN COc1cc(CN2CCSC[C@H](C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000190843444 906347049 /nfs/dbraw/zinc/34/70/49/906347049.db2.gz ZVRXCOALJSRZBH-LLVKDONJSA-N 0 1 394.415 3.729 20 5 GHBDMN Cn1cc(CNCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c(-c2ccncc2)n1 ZINC000365954065 921264709 /nfs/dbraw/zinc/26/47/09/921264709.db2.gz JSRQTWLCNOGBLN-UHFFFAOYSA-N 0 1 391.353 3.699 20 5 GHBDMN COc1cc([C@@H](C)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)ccc1S(C)(=O)=O ZINC000181236498 906952183 /nfs/dbraw/zinc/95/21/83/906952183.db2.gz MVOZVCMEHXAWFP-ZIAGYGMSSA-N 0 1 392.477 3.727 20 5 GHBDMN COC[C@H](Cc1ccccc1)N(C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000191475767 907027801 /nfs/dbraw/zinc/02/78/01/907027801.db2.gz OYFXMYWZTJIEMK-FQEVSTJZSA-N 0 1 381.432 3.939 20 5 GHBDMN C[C@@H]1CN(Cc2ccccc2)C[C@@]2(CCN(Cc3c(F)cccc3[N+](=O)[O-])C2)O1 ZINC001175678437 907688775 /nfs/dbraw/zinc/68/87/75/907688775.db2.gz QIUYPWBQWVDDCR-VGSWGCGISA-N 0 1 399.466 3.599 20 5 GHBDMN O=C([O-])CC[C@@H]1CCC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000901554119 921354018 /nfs/dbraw/zinc/35/40/18/921354018.db2.gz XLWWQNWEXOKNTN-ZDUSSCGKSA-N 0 1 375.450 3.795 20 5 GHBDMN Cc1ccc(CN2CCSCC2)cc1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000299502481 921383007 /nfs/dbraw/zinc/38/30/07/921383007.db2.gz GSSCAMMVMCMPPB-UHFFFAOYSA-N 0 1 377.491 3.766 20 5 GHBDMN O=C(Nc1cccc(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c1)[C@H]1CCCO1 ZINC000192731434 908818169 /nfs/dbraw/zinc/81/81/69/908818169.db2.gz HYHPPVWTDVWYOW-NHCUHLMSSA-N 0 1 395.459 3.880 20 5 GHBDMN Cn1c(=O)c(CNCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc2ccccc21 ZINC001178634545 909159392 /nfs/dbraw/zinc/15/93/92/909159392.db2.gz NKLKOYDYQJJSJD-UHFFFAOYSA-N 0 1 391.349 3.755 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)Nc2cc(F)c(F)cc2F)c1 ZINC000795315721 909831830 /nfs/dbraw/zinc/83/18/30/909831830.db2.gz YEQWOPAWSWAVJL-UHFFFAOYSA-N 0 1 384.694 3.605 20 5 GHBDMN Cc1cc(Cl)c(S(=O)(=O)Nc2ccc(F)c([C@@H](C)O)c2)cc1[N+](=O)[O-] ZINC000795378993 910107807 /nfs/dbraw/zinc/10/78/07/910107807.db2.gz GAEDXKPBJPAYBG-SECBINFHSA-N 0 1 388.804 3.550 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N2CCCCC[C@H]2[C@@H]2CCCCC2=O)c1[N+](=O)[O-] ZINC000269449525 910272021 /nfs/dbraw/zinc/27/20/21/910272021.db2.gz GCSMIILMLVYDNW-KBPBESRZSA-N 0 1 376.457 3.585 20 5 GHBDMN C[C@@H](c1ccncc1)N1CCC(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000269597350 910313522 /nfs/dbraw/zinc/31/35/22/910313522.db2.gz FPNARQYZJDJXTO-AWEZNQCLSA-N 0 1 394.431 3.691 20 5 GHBDMN CCOc1ccc([C@@H](C)N[C@@H](C)c2ccc3c(c2)CC(=O)N3C)cc1[N+](=O)[O-] ZINC000271028037 910760480 /nfs/dbraw/zinc/76/04/80/910760480.db2.gz BMIVQLGBTOGQOF-UONOGXRCSA-N 0 1 383.448 3.924 20 5 GHBDMN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc(-c2ccc(C)cc2)n[nH]1 ZINC001182262372 911395133 /nfs/dbraw/zinc/39/51/33/911395133.db2.gz VLJCQVXNDZCKLY-HNNXBMFYSA-N 0 1 379.420 3.896 20 5 GHBDMN CC[C@H](N[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1ccccc1OC ZINC000775078943 914985550 /nfs/dbraw/zinc/98/55/50/914985550.db2.gz ZFWIXGLLDIDPNI-CJNGLKHVSA-N 0 1 387.436 3.680 20 5 GHBDMN CCOc1cc(CN[C@H](C)c2ccc(N3CCCNC3=O)cc2)ccc1[N+](=O)[O-] ZINC000291164941 915014988 /nfs/dbraw/zinc/01/49/88/915014988.db2.gz GEOSVUWTYIYBPL-OAHLLOKOSA-N 0 1 398.463 3.764 20 5 GHBDMN CC(C)(C)OC(=O)N1CCC[C@@]2(CCN(Cc3ccccc3[N+](=O)[O-])C2)C1 ZINC000802009710 921747655 /nfs/dbraw/zinc/74/76/55/921747655.db2.gz SASJMNNDVBKBND-FQEVSTJZSA-N 0 1 375.469 3.818 20 5 GHBDMN CC(C)(C)OC(=O)N1CCC[C@]2(CCN(Cc3ccc([N+](=O)[O-])c(F)c3)C2)C1 ZINC000802009156 921752412 /nfs/dbraw/zinc/75/24/12/921752412.db2.gz MOEPZGMHDPWJPZ-HXUWFJFHSA-N 0 1 393.459 3.957 20 5 GHBDMN Cc1c(CNCc2nc3cc([N+](=O)[O-])ccc3[nH]2)sc2nc(C)nc(C)c12 ZINC000775178312 916042331 /nfs/dbraw/zinc/04/23/31/916042331.db2.gz GAMOJIIWKONJPB-UHFFFAOYSA-N 0 1 382.449 3.691 20 5 GHBDMN COc1ccc([C@@H](CCO)NCc2cc([N+](=O)[O-])ccc2C(F)(F)F)cc1 ZINC000293892275 916452376 /nfs/dbraw/zinc/45/23/76/916452376.db2.gz VGCGVPNNTCMRAA-QGZVFWFLSA-N 0 1 384.354 3.836 20 5 GHBDMN CC[C@H](C)c1nc([C@H](C)NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])n[nH]1 ZINC000295605375 917378646 /nfs/dbraw/zinc/37/86/46/917378646.db2.gz CTEJBVOOGALESV-IUCAKERBSA-N 0 1 385.346 3.736 20 5 GHBDMN C=Cc1ccc(CCNS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)cc1 ZINC001190587587 917432392 /nfs/dbraw/zinc/43/23/92/917432392.db2.gz LZZVRLNMYOBOAY-UHFFFAOYSA-N 0 1 384.816 3.551 20 5 GHBDMN COc1cc(OC)cc(OCCCN(C)Cc2ccc([N+](=O)[O-])c(F)c2)c1 ZINC000801520262 921092195 /nfs/dbraw/zinc/09/21/95/921092195.db2.gz CTJVANQSCOVHMS-UHFFFAOYSA-N 0 1 378.400 3.652 20 5 GHBDMN COc1cc([C@@H](C)N[C@@H](C)c2ccc(N3CCOC3=O)cc2)cc([N+](=O)[O-])c1 ZINC000903080587 922755993 /nfs/dbraw/zinc/75/59/93/922755993.db2.gz QKNKTKQFHNPAQQ-UONOGXRCSA-N 0 1 385.420 3.972 20 5 GHBDMN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccccc1-c1nnc[nH]1 ZINC000369965591 923774590 /nfs/dbraw/zinc/77/45/90/923774590.db2.gz YWWHDFROXRQVMC-UHFFFAOYSA-N 0 1 389.824 3.764 20 5 GHBDMN O=C(OCc1cc(F)ccc1[N+](=O)[O-])c1ccc(-c2nnc(C3CC3)[nH]2)cc1 ZINC000748903096 923914791 /nfs/dbraw/zinc/91/47/91/923914791.db2.gz SOMRYAIXAPVIHX-UHFFFAOYSA-N 0 1 382.351 3.753 20 5 GHBDMN CCOc1cccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c1 ZINC000410350962 925564124 /nfs/dbraw/zinc/56/41/24/925564124.db2.gz GEGNJFZSCNHXRO-UHFFFAOYSA-N 0 1 390.339 3.813 20 5 GHBDMN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1CCOc1ccccc1[N+](=O)[O-] ZINC000726602656 926757099 /nfs/dbraw/zinc/75/70/99/926757099.db2.gz YIEBBZRUFQWXHB-CVEARBPZSA-N 0 1 393.484 3.741 20 5 GHBDMN C[C@H](NC/C=C/c1ccccc1[N+](=O)[O-])C(=O)Nc1cccc(N2CCCC2)c1 ZINC000726606080 926759803 /nfs/dbraw/zinc/75/98/03/926759803.db2.gz SKYIXLLWBWLGSF-LKUPDRCFSA-N 0 1 394.475 3.825 20 5 GHBDMN Cc1nn(CN2CC[C@H](CSc3ccccc3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000749958503 927370298 /nfs/dbraw/zinc/37/02/98/927370298.db2.gz DQKHJVWBCBLEBT-HNNXBMFYSA-N 0 1 383.477 3.720 20 5 GHBDMN O=C(CNC1(c2ccc(F)cc2)CCC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000750872467 927909397 /nfs/dbraw/zinc/90/93/97/927909397.db2.gz OGLXMHKMEQUNNF-UHFFFAOYSA-N 0 1 377.803 3.995 20 5 GHBDMN Nc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)cc1[N+](=O)[O-] ZINC000751538402 928238491 /nfs/dbraw/zinc/23/84/91/928238491.db2.gz ISBJVSVWHDYWCF-UHFFFAOYSA-N 0 1 395.746 3.650 20 5 GHBDMN COc1cccc(OC)c1OC1CCN(Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000544611298 929343646 /nfs/dbraw/zinc/34/36/46/929343646.db2.gz CKKYUFOREZMWDM-UHFFFAOYSA-N 0 1 386.448 3.964 20 5 GHBDMN CCc1ccc([C@@H](NCCc2nnc3ccccn32)c2ccc([N+](=O)[O-])cc2)o1 ZINC000753612757 929446290 /nfs/dbraw/zinc/44/62/90/929446290.db2.gz UBYBLNPIBWDFMY-NRFANRHFSA-N 0 1 391.431 3.715 20 5 GHBDMN Nc1ccc(C(=O)N2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)cc1[N+](=O)[O-] ZINC000753735642 929508166 /nfs/dbraw/zinc/50/81/66/929508166.db2.gz YSJNSKCBCSKKNE-OAHLLOKOSA-N 0 1 385.811 3.684 20 5 GHBDMN CC[C@@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000544767834 929559854 /nfs/dbraw/zinc/55/98/54/929559854.db2.gz MKYZDVDNDLHDQZ-HXUWFJFHSA-N 0 1 381.476 3.650 20 5 GHBDMN Cc1cccc(N2CCN(CCC(=O)Nc3cc([N+](=O)[O-])c(C)cc3C)CC2)c1 ZINC000467933050 929607444 /nfs/dbraw/zinc/60/74/44/929607444.db2.gz GJCVWCHCTPGCEP-UHFFFAOYSA-N 0 1 396.491 3.671 20 5 GHBDMN CC(C)(C(=O)N1CCCN(Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000545874575 929631070 /nfs/dbraw/zinc/63/10/70/929631070.db2.gz KSWRNYDPOLHNME-UHFFFAOYSA-N 0 1 399.466 3.746 20 5 GHBDMN CN(C)[C@H]1CCOc2c(NC(=O)c3ccc([N+](=O)[O-])c4cccnc34)cccc21 ZINC000469353114 929813775 /nfs/dbraw/zinc/81/37/75/929813775.db2.gz XOTUOVKSZNTASG-KRWDZBQOSA-N 0 1 392.415 3.781 20 5 GHBDMN CN(C)[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC000469497832 929943325 /nfs/dbraw/zinc/94/33/25/929943325.db2.gz ORAFQPUQMFUXSV-MRXNPFEDSA-N 0 1 399.344 3.785 20 5 GHBDMN CC[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CCN1Cc1ccccc1 ZINC000758940283 930222864 /nfs/dbraw/zinc/22/28/64/930222864.db2.gz MXTIXMRPAIFOQJ-GOSISDBHSA-N 0 1 394.475 3.580 20 5 GHBDMN COc1cc(S(=O)(=O)Nc2ccc(COC(C)(C)C)cc2)ccc1[N+](=O)[O-] ZINC000759168262 930297790 /nfs/dbraw/zinc/29/77/90/930297790.db2.gz OJVDAYNTXPPABW-UHFFFAOYSA-N 0 1 394.449 3.719 20 5 GHBDMN Cc1ccc([C@@H](CNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)N2CCCC2)o1 ZINC000470126915 930392122 /nfs/dbraw/zinc/39/21/22/930392122.db2.gz VRVHPAVYGGABMY-MRXNPFEDSA-N 0 1 376.388 3.594 20 5 GHBDMN CCOc1cccc([N+](=O)[O-])c1C(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000470995671 931085091 /nfs/dbraw/zinc/08/50/91/931085091.db2.gz UITKSKPMMIANOV-SFHVURJKSA-N 0 1 397.475 3.730 20 5 GHBDMN Cc1ccc([C@@H]2C[C@H](C)[N@H+](Cn3cnc(-c4cccc([N+](=O)[O-])c4)n3)C2)cc1 ZINC000782954719 931374719 /nfs/dbraw/zinc/37/47/19/931374719.db2.gz NTXOHGKCDGGMTQ-QFBILLFUSA-N 0 1 377.448 3.997 20 5 GHBDMN COc1ccc2c(c1)CCN(Cn1cc(-c3cccc([N+](=O)[O-])c3)cn1)CC2 ZINC000783979983 931739869 /nfs/dbraw/zinc/73/98/69/931739869.db2.gz HKENOIWINMMSDH-UHFFFAOYSA-N 0 1 378.432 3.525 20 5 GHBDMN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(Cc3csc([N+](=O)[O-])c3)C[C@H]21 ZINC000784517025 931921796 /nfs/dbraw/zinc/92/17/96/931921796.db2.gz PIQNBPBSEJSPSZ-RRFJBIMHSA-N 0 1 381.498 3.782 20 5 GHBDMN CC(C)(CO)[C@@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000558476080 932024072 /nfs/dbraw/zinc/02/40/72/932024072.db2.gz JTTYKBWEAQEMPR-SFHVURJKSA-N 0 1 391.855 3.536 20 5 GHBDMN COc1ccc(C[C@H]2CCCN(CC(=O)Nc3ccc([N+](=O)[O-])cc3C)C2)cc1 ZINC000558606574 932104680 /nfs/dbraw/zinc/10/46/80/932104680.db2.gz QKFUMFVIEMTMMQ-GOSISDBHSA-N 0 1 397.475 3.805 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1CN1CCC(CN(C)C(=O)OC(C)(C)C)CC1 ZINC000797517049 932316411 /nfs/dbraw/zinc/31/64/11/932316411.db2.gz ABSXURUZTFLZSJ-UHFFFAOYSA-N 0 1 393.484 3.682 20 5 GHBDMN COc1ccc(CN2CCCN(c3ccc([N+](=O)[O-])c(C(C)=O)c3)CC2)cc1 ZINC000559585238 932745435 /nfs/dbraw/zinc/74/54/35/932745435.db2.gz AXKUUVCKCAEUJB-UHFFFAOYSA-N 0 1 383.448 3.518 20 5 GHBDMN CC[C@@H](C)NC(=O)c1ccc(NCc2cc(OC)c(O)c([N+](=O)[O-])c2)c(C)c1 ZINC000559998845 933007588 /nfs/dbraw/zinc/00/75/88/933007588.db2.gz FYJMZOKNMMAVTN-CYBMUJFWSA-N 0 1 387.436 3.758 20 5 GHBDMN Cc1n[nH]c(=O)c(CNCc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)c1C ZINC001116021077 933288258 /nfs/dbraw/zinc/28/82/58/933288258.db2.gz DOBNLUFSJKTYDR-UHFFFAOYSA-N 0 1 388.811 3.910 20 5 GHBDMN CCC[C@H]1CN(C(=O)c2ccc(NC)c([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC001137817956 935806101 /nfs/dbraw/zinc/80/61/01/935806101.db2.gz PEKUCXYBFRHVRT-IBGZPJMESA-N 0 1 396.491 3.763 20 5 GHBDMN Cc1cc([N+](=O)[O-])c(F)c(C(=O)NC[C@H](c2ccc(Cl)cc2)N(C)C)c1F ZINC000829498901 935818412 /nfs/dbraw/zinc/81/84/12/935818412.db2.gz FSUQZDADTZSNSA-CQSZACIVSA-N 0 1 397.809 3.868 20 5 GHBDMN O=C([O-])[C@@H]1C[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]1c1ccccc1 ZINC001606432597 973875240 /nfs/dbraw/zinc/87/52/40/973875240.db2.gz JVQBXFXESZJSJS-RBUKOAKNSA-N 0 1 393.399 3.550 20 5 GHBDMN Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2CCN(CC3CCCCC3)CC2)c1F ZINC001625951721 1014527984 /nfs/dbraw/zinc/52/79/84/1014527984.db2.gz MLAZSIQOPPHMTP-UHFFFAOYSA-N 0 1 381.423 3.520 20 5 GHBDMN CCCCCC[C@@](O)(C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)C(=O)[O-] ZINC001595696256 982226108 /nfs/dbraw/zinc/22/61/08/982226108.db2.gz DWONHKZPZVWEQZ-YLJYHZDGSA-N 0 1 378.469 3.560 20 5 GHBDMN COc1cccc(NC(=O)C[C@H](C)NCc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000468032421 1015169085 /nfs/dbraw/zinc/16/90/85/1015169085.db2.gz WWZPQXQXSFZFHF-LBPRGKRZSA-N 0 1 377.828 3.764 20 5 GHBDMN CCOc1ccc(C2=CC[N@H+](Cc3cc(C(=O)[O-])ccc3[N+](=O)[O-])CC2)cc1 ZINC001597081178 986622550 /nfs/dbraw/zinc/62/25/50/986622550.db2.gz CBKYVSNMBLQHSZ-UHFFFAOYSA-N 0 1 382.416 3.981 20 5 GHBDMN CCOc1ccc(C2=CC[N@@H+](Cc3cc(C(=O)[O-])ccc3[N+](=O)[O-])CC2)cc1 ZINC001597081178 986622559 /nfs/dbraw/zinc/62/25/59/986622559.db2.gz CBKYVSNMBLQHSZ-UHFFFAOYSA-N 0 1 382.416 3.981 20 5 GHBDMN Cc1cc(Cc2noc([C@@H]3CCCN(Cc4cccnc4)C3)n2)ccc1[N+](=O)[O-] ZINC000545077120 1015488938 /nfs/dbraw/zinc/48/89/38/1015488938.db2.gz PVBMHIVPGLOPRB-GOSISDBHSA-N 0 1 393.447 3.652 20 5 GHBDMN C[C@H]([NH2+]Cc1cc(C(=O)[O-])ccc1Br)c1cccc([N+](=O)[O-])c1 ZINC001593289354 994661963 /nfs/dbraw/zinc/66/19/63/994661963.db2.gz QYDDKUTYYNLYBR-JTQLQIEISA-N 0 1 379.210 3.906 20 5 GHBDMN COc1cccc(C=C2CC[NH+](Cc3cc(C(=O)[O-])ccc3[N+](=O)[O-])CC2)c1 ZINC001599663782 994697175 /nfs/dbraw/zinc/69/71/75/994697175.db2.gz DXTUDMHLLXEEPM-UHFFFAOYSA-N 0 1 382.416 3.981 20 5 GHBDMN CCSCc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)c1 ZINC000468851132 1016110740 /nfs/dbraw/zinc/11/07/40/1016110740.db2.gz GNTWZHVEOZMAQP-UHFFFAOYSA-N 0 1 382.463 3.657 20 5 GHBDMN O=c1cc(Br)c(O[C@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)n[nH]1 ZINC001226848178 1032155633 /nfs/dbraw/zinc/15/56/33/1032155633.db2.gz AJOLIPMIJMNLQF-SNVBAGLBSA-N 0 1 394.103 3.535 20 5 GHBDMN O=[N+]([O-])c1cc(O[C@H]2COCCN(Cc3ccccc3)C2)ccc1C(F)(F)F ZINC001226970204 1032218380 /nfs/dbraw/zinc/21/83/80/1032218380.db2.gz VWBZEOXUJMXYCF-MRXNPFEDSA-N 0 1 396.365 3.893 20 5 GHBDMN C[C@H](c1ccccn1)[N@H+]1CCC[C@H](Oc2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC001227219531 1032327307 /nfs/dbraw/zinc/32/73/07/1032327307.db2.gz HZTWWCMKFBGHEF-ZBFHGGJFSA-N 0 1 394.431 3.848 20 5 GHBDMN C[C@H](c1ccccn1)N1CCC[C@H](Oc2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC001227219531 1032327316 /nfs/dbraw/zinc/32/73/16/1032327316.db2.gz HZTWWCMKFBGHEF-ZBFHGGJFSA-N 0 1 394.431 3.848 20 5 GHBDMN CSc1nc(O[C@H](c2ccc(C)cc2)C(F)(F)F)c([N+](=O)[O-])c(=O)[nH]1 ZINC001227624833 1032490380 /nfs/dbraw/zinc/49/03/80/1032490380.db2.gz GCTVDNCQGGUIMJ-SNVBAGLBSA-N 0 1 375.328 3.803 20 5 GHBDMN O=[N+]([O-])c1cc(F)c(F)c(OC[C@H]2CN(Cc3ccccc3)CCCO2)c1 ZINC001228017193 1032738341 /nfs/dbraw/zinc/73/83/41/1032738341.db2.gz UJAATGIQFVBTHV-MRXNPFEDSA-N 0 1 378.375 3.543 20 5 GHBDMN Cc1ccc(S(=O)(=O)C[C@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000158605228 1019991835 /nfs/dbraw/zinc/99/18/35/1019991835.db2.gz QCJAZJKCSFZNCV-GOEBONIOSA-N 0 1 376.478 3.725 20 5 GHBDMN O=c1[nH]c(C2CC2)nc(O[C@@H]2CCc3ccc(Br)cc32)c1[N+](=O)[O-] ZINC001228603493 1033002643 /nfs/dbraw/zinc/00/26/43/1033002643.db2.gz KVLFRYGAZDKHHO-GFCCVEGCSA-N 0 1 392.209 3.797 20 5 GHBDMN CC[C@H](NS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)c1nccs1 ZINC000830589980 1024002336 /nfs/dbraw/zinc/00/23/36/1024002336.db2.gz WRRJYSASIOAPHF-QMMMGPOBSA-N 0 1 396.277 3.788 20 5 GHBDMN Cc1c(CNC(=O)[C@H](C)N2CCC(Cc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC001138238749 1024442349 /nfs/dbraw/zinc/44/23/49/1024442349.db2.gz GKLJZLZIEWJSMW-SFHVURJKSA-N 0 1 395.503 3.863 20 5 GHBDMN COc1ccc2ncc([N+](=O)[O-])c(N3CCN(Cc4ccccc4C)CC3)c2c1 ZINC001161970404 1025516687 /nfs/dbraw/zinc/51/66/87/1025516687.db2.gz JIWOQSQDYVQXTP-UHFFFAOYSA-N 0 1 392.459 3.782 20 5 GHBDMN Cc1c(Br)c(N[C@@H](C)CN2C[C@H](C)C[C@H](C)C2)ncc1[N+](=O)[O-] ZINC001162243641 1025688817 /nfs/dbraw/zinc/68/88/17/1025688817.db2.gz COIMPDPZSNKAGZ-TUAOUCFPSA-N 0 1 385.306 3.839 20 5 GHBDMN C[N@@H+](Cc1ccco1)Cc1ccccc1CNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001162561431 1025795428 /nfs/dbraw/zinc/79/54/28/1025795428.db2.gz XEVKAIUBWWSJGV-UHFFFAOYSA-N 0 1 394.431 3.531 20 5 GHBDMN CN(Cc1ccco1)Cc1ccccc1CNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001162561431 1025795438 /nfs/dbraw/zinc/79/54/38/1025795438.db2.gz XEVKAIUBWWSJGV-UHFFFAOYSA-N 0 1 394.431 3.531 20 5 GHBDMN COc1cc(C(=O)N[C@H]2CCc3nc(C4CCCCC4)[nH]c3C2)ccc1[N+](=O)[O-] ZINC001139223605 1026077585 /nfs/dbraw/zinc/07/75/85/1026077585.db2.gz MAQRBQIUVDAJQE-HNNXBMFYSA-N 0 1 398.463 3.662 20 5 GHBDMN COc1cc(C(=O)N[C@@H]2CCc3nc(C4CCCCC4)[nH]c3C2)ccc1[N+](=O)[O-] ZINC001139223607 1026077978 /nfs/dbraw/zinc/07/79/78/1026077978.db2.gz MAQRBQIUVDAJQE-OAHLLOKOSA-N 0 1 398.463 3.662 20 5 GHBDMN O=[N+]([O-])c1ccc(OCCNCc2c(F)cc(Br)cc2F)cc1 ZINC001461158103 1069417803 /nfs/dbraw/zinc/41/78/03/1069417803.db2.gz BTJCEWWFIUZXAY-UHFFFAOYSA-N 0 1 387.180 3.804 20 5 GHBDMN O=[N+]([O-])c1cc2cnn(CN3CCCC[C@@H]3[C@H]3CCC[C@@H]3O)c2c(Cl)c1 ZINC000840116593 1027225960 /nfs/dbraw/zinc/22/59/60/1027225960.db2.gz PYCLLDGCAPVSJV-OIISXLGYSA-N 0 1 378.860 3.571 20 5 GHBDMN CN1Cc2ccccc2[C@H]1CNCc1c(Br)cccc1[N+](=O)[O-] ZINC001203409509 1027320437 /nfs/dbraw/zinc/32/04/37/1027320437.db2.gz ZOSPZZFGJCHCCV-QGZVFWFLSA-N 0 1 376.254 3.634 20 5 GHBDMN O=C(O[C@H](CC(F)(F)F)c1ccc(Br)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC000841111873 1028153028 /nfs/dbraw/zinc/15/30/28/1028153028.db2.gz ISZHGNNLBNXAMQ-GMTAPVOTSA-N 0 1 382.132 3.651 20 5 GHBDMN COc1cc([N+](=O)[O-])c(-c2nc(-c3ccccc3OC(F)(F)F)no2)cc1O ZINC001216343617 1029609461 /nfs/dbraw/zinc/60/94/61/1029609461.db2.gz NJCXDMWYIYXVNT-UHFFFAOYSA-N 0 1 397.265 3.925 20 5 GHBDMN CN1CCN(c2cccc(-c3noc(-c4ccc(Cl)cc4[N+](=O)[O-])n3)c2)CC1 ZINC001216508701 1029665387 /nfs/dbraw/zinc/66/53/87/1029665387.db2.gz IZFULTZKORMCOE-UHFFFAOYSA-N 0 1 399.838 3.717 20 5 GHBDMN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCc1ccc(Nc2ccncc2)cc1 ZINC001149341014 1030139788 /nfs/dbraw/zinc/13/97/88/1030139788.db2.gz ZTNRMJZHRIIYEP-UHFFFAOYSA-N 0 1 396.834 3.668 20 5 GHBDMN C[C@@H](c1ccccn1)N1CCC[C@H](OCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001224102132 1030883414 /nfs/dbraw/zinc/88/34/14/1030883414.db2.gz WPFCUKPEUOLQMW-YOEHRIQHSA-N 0 1 386.408 3.640 20 5 GHBDMN O=c1c2cccc(O)c2oc2cc([O-])cc(O[C@H]3C[NH2+]Cc4ccccc43)c12 ZINC001218493158 1030960172 /nfs/dbraw/zinc/96/01/72/1030960172.db2.gz ITZCKIPNJDFOQJ-IBGZPJMESA-N 0 1 375.380 3.581 20 5 GHBDMN C[C@H](c1ccncc1)N1CCC(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC001151724018 1030983610 /nfs/dbraw/zinc/98/36/10/1030983610.db2.gz DPCKQNIFUIBODA-CYBMUJFWSA-N 0 1 388.855 3.599 20 5 GHBDMN 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/nfs/dbraw/zinc/91/82/04/1073918204.db2.gz JLODFAOWWVVVNC-UHFFFAOYSA-N 0 1 381.201 3.760 20 5 GHBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN2CCC[C@H](Cc3ccc(OC)cc3)C2)c1 ZINC001473491342 1073988025 /nfs/dbraw/zinc/98/80/25/1073988025.db2.gz VQQUJQYLWDMKRA-QGZVFWFLSA-N 0 1 398.459 3.845 20 5 GHBDMN CC1(C)CN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCc2ccccc21 ZINC001473635125 1074059747 /nfs/dbraw/zinc/05/97/47/1074059747.db2.gz DVIZVYLADGSVOO-FQEVSTJZSA-N 0 1 379.460 3.536 20 5 GHBDMN Cc1c(NC(=O)[C@H](C)N2CCN([C@@H](C)c3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC001473755459 1074124528 /nfs/dbraw/zinc/12/45/28/1074124528.db2.gz NMQDPUSHZRKWMC-ROUUACIJSA-N 0 1 396.491 3.609 20 5 GHBDMN C[C@@H](N[C@H](C)c1ccc2c(c1)CCO2)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC001473842036 1074170309 /nfs/dbraw/zinc/17/03/09/1074170309.db2.gz IDMMYIGMDYCXJB-VXGBXAGGSA-N 0 1 389.839 3.861 20 5 GHBDMN O=[N+]([O-])c1cccc(Br)c1CNCC1([C@H](O)c2ccccc2)CC1 ZINC001474080735 1074257550 /nfs/dbraw/zinc/25/75/50/1074257550.db2.gz GJCJCJIXIZPYSL-QGZVFWFLSA-N 0 1 391.265 3.961 20 5 GHBDMN CC(C)(C)O[C@@H]1C[C@H](NCc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1n1cccn1 ZINC001474528405 1074451569 /nfs/dbraw/zinc/45/15/69/1074451569.db2.gz MAYYNUHOGSWOOZ-UAGQMJEPSA-N 0 1 378.860 3.732 20 5 GHBDMN O=[N+]([O-])c1sc(CNC[C@@H]2Cc3ccccc3CO2)cc1Br ZINC001474635253 1074493280 /nfs/dbraw/zinc/49/32/80/1074493280.db2.gz RJSFNJVKWTUUEU-LBPRGKRZSA-N 0 1 383.267 3.650 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)NCc2ccc(F)c(Cl)c2)c1 ZINC001474911726 1074628838 /nfs/dbraw/zinc/62/88/38/1074628838.db2.gz XOPCWZPJPLXRIE-UHFFFAOYSA-N 0 1 397.186 3.658 20 5 GHBDMN CC[C@@H](C)[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl)C(F)(F)F ZINC001475245235 1074802851 /nfs/dbraw/zinc/80/28/51/1074802851.db2.gz MJZRFCKHORNDLL-KRTXAFLBSA-N 0 1 388.795 3.812 20 5 GHBDMN O=C(/C=C/C1CCCCC1)Nc1cc(-c2nn[nH]n2)cc([N+](=O)[O-])c1Cl ZINC000826400209 608161799 /nfs/dbraw/zinc/16/17/99/608161799.db2.gz SEGHVCSWWNPTCU-VOTSOKGWSA-N 0 1 376.804 3.503 20 5 GHBDMN CCOc1ccc([C@@H](C)N[C@@H](C)c2ccc(-c3nn[nH]n3)cc2)cc1[N+](=O)[O-] ZINC000825632264 608493219 /nfs/dbraw/zinc/49/32/19/608493219.db2.gz NLSNMYCKSGGSRU-QWHCGFSZSA-N 0 1 382.424 3.585 20 5 GHBDMN Cc1nc(CN2CCCC23CCN(c2ncc([N+](=O)[O-])cc2F)CC3)cs1 ZINC001164694481 719807297 /nfs/dbraw/zinc/80/72/97/719807297.db2.gz YSWPARBZKXKTCO-UHFFFAOYSA-N 0 1 391.472 3.529 20 5 GHBDMN CC(C)N(C)Cc1cnc2n1CCN(c1nccc3cc([N+](=O)[O-])ccc31)[C@H]2C ZINC001164863202 721021199 /nfs/dbraw/zinc/02/11/99/721021199.db2.gz UKDJNHLATHAJMW-HNNXBMFYSA-N 0 1 394.479 3.761 20 5 GHBDMN CC[C@H](N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccc2c(c1)OCCO2 ZINC000180637071 837403188 /nfs/dbraw/zinc/40/31/88/837403188.db2.gz ZBLYSPPCGAKCEQ-HOCLYGCPSA-N 0 1 399.447 3.742 20 5 GHBDMN CCOc1cccc([C@@H](C)NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000180668344 837444961 /nfs/dbraw/zinc/44/49/61/837444961.db2.gz HNHNZHYDBSUWTG-GFCCVEGCSA-N 0 1 377.828 3.936 20 5 GHBDMN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(OC(F)F)c(Cl)c2)cs1 ZINC000120099578 834457900 /nfs/dbraw/zinc/45/79/00/834457900.db2.gz ISJGLUXECZNNNY-UHFFFAOYSA-N 0 1 384.769 3.712 20 5 GHBDMN COc1ccc(C[C@H]2CCCN([C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C2)cc1 ZINC000584442708 834622943 /nfs/dbraw/zinc/62/29/43/834622943.db2.gz DIYNJRKBKKQIJQ-FUHWJXTLSA-N 0 1 397.475 3.885 20 5 GHBDMN Cc1nc(-c2cccc(NS(=O)(=O)c3csc([N+](=O)[O-])c3)c2)oc1C ZINC000120204929 834882179 /nfs/dbraw/zinc/88/21/79/834882179.db2.gz NZLXSCXHTQDJBP-UHFFFAOYSA-N 0 1 379.419 3.729 20 5 GHBDMN CC(C)(C(=O)N1CCCN(Cc2ccccc2)CC1)c1ccccc1[N+](=O)[O-] ZINC000429950694 844086019 /nfs/dbraw/zinc/08/60/19/844086019.db2.gz XKUVVIAANLVMIV-UHFFFAOYSA-N 0 1 381.476 3.607 20 5 GHBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179512991 835786589 /nfs/dbraw/zinc/78/65/89/835786589.db2.gz TUJYEWLAMWXPOU-OAHLLOKOSA-N 0 1 385.468 3.757 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C)c1ccc(OC(F)F)cc1 ZINC000179606920 835890242 /nfs/dbraw/zinc/89/02/42/835890242.db2.gz VNSBMBRVLGYNCY-LBPRGKRZSA-N 0 1 379.363 3.794 20 5 GHBDMN Cc1[nH+]ccn1-c1ccc([C@@H](C)N=c2[n-]c(-c3ccc([N+](=O)[O-])cc3)no2)cc1 ZINC000433409349 844108942 /nfs/dbraw/zinc/10/89/42/844108942.db2.gz JNPLWGSTMPBGFB-CYBMUJFWSA-N 0 1 390.403 3.734 20 5 GHBDMN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cc(Cl)cc(Br)c1O ZINC000179819157 836026592 /nfs/dbraw/zinc/02/65/92/836026592.db2.gz FGXSKDCFWKATNP-UHFFFAOYSA-N 0 1 385.601 3.898 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000511501014 836269336 /nfs/dbraw/zinc/26/93/36/836269336.db2.gz WSGJJLICIJLHJX-UHFFFAOYSA-N 0 1 387.867 3.951 20 5 GHBDMN C[C@@H]1CN(Cc2ccc(CNc3ccc([N+](=O)[O-])c(N)c3F)cc2)C[C@H](C)O1 ZINC000471244443 836300638 /nfs/dbraw/zinc/30/06/38/836300638.db2.gz OIPHBLHQDDTTSH-OKILXGFUSA-N 0 1 388.443 3.537 20 5 GHBDMN CCOC(=O)c1cc(C(=O)Nc2[nH]nc(-c3ccc(C)o3)c2C)cc([N+](=O)[O-])c1 ZINC000161563977 836833211 /nfs/dbraw/zinc/83/32/11/836833211.db2.gz QKXIIAXYOKVDBT-UHFFFAOYSA-N 0 1 398.375 3.624 20 5 GHBDMN Cc1ccc([C@@H](C)N[C@H](C)C(=O)Nc2ccc(-c3c[nH]cn3)cc2)cc1[N+](=O)[O-] ZINC000472576576 836930084 /nfs/dbraw/zinc/93/00/84/836930084.db2.gz GLNIXZGBGRMHJA-HUUCEWRRSA-N 0 1 393.447 3.971 20 5 GHBDMN COc1cccc([C@H]2[C@H](NC(=O)Nc3cccc([N+](=O)[O-])c3)CCN2C2CC2)c1 ZINC000180067338 837064431 /nfs/dbraw/zinc/06/44/31/837064431.db2.gz FXDQKIHNLXJDEA-UXHICEINSA-N 0 1 396.447 3.703 20 5 GHBDMN COc1ccc([C@@H](NC(=O)CN[C@H](C)c2cccc([N+](=O)[O-])c2)C(C)C)cc1 ZINC000180450427 837266577 /nfs/dbraw/zinc/26/65/77/837266577.db2.gz PDHAWGAIDTXUOB-VFNWGFHPSA-N 0 1 385.464 3.768 20 5 GHBDMN Cc1cccc([C@H]2CCCN2C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)n1 ZINC000580516543 837359629 /nfs/dbraw/zinc/35/96/29/837359629.db2.gz QJWDVUGMSZLMHZ-LJQANCHMSA-N 0 1 377.404 3.666 20 5 GHBDMN Cc1cc(CN2CCSCC2)ccc1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000109847459 838182529 /nfs/dbraw/zinc/18/25/29/838182529.db2.gz ZVMWFQVXZLNBBF-UHFFFAOYSA-N 0 1 385.489 3.633 20 5 GHBDMN CCc1nc([C@@H](C)NCc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)n[nH]1 ZINC000535689555 844311250 /nfs/dbraw/zinc/31/12/50/844311250.db2.gz GXXSCKPRIDYOMQ-CQSZACIVSA-N 0 1 380.452 3.894 20 5 GHBDMN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(-c2ccccn2)n[nH]1 ZINC000136273881 838338041 /nfs/dbraw/zinc/33/80/41/838338041.db2.gz MXMWTTKJILBXDA-UHFFFAOYSA-N 0 1 398.448 3.775 20 5 GHBDMN COc1ccc(-c2ccc(CN[C@@H]3CCCC(F)(F)[C@H]3O)o2)c([N+](=O)[O-])c1 ZINC000414540190 838614841 /nfs/dbraw/zinc/61/48/41/838614841.db2.gz TZMBMZCGVVDWIY-PBHICJAKSA-N 0 1 382.363 3.502 20 5 GHBDMN CCc1nc(C2CCN(c3cc(C)c(C(F)(F)F)cc3[N+](=O)[O-])CC2)n[nH]1 ZINC000549181204 839190798 /nfs/dbraw/zinc/19/07/98/839190798.db2.gz GFWGAIKWXIBSQN-UHFFFAOYSA-N 0 1 383.374 3.987 20 5 GHBDMN CCc1nnc(C2CCN(c3cc(C)c(C(F)(F)F)cc3[N+](=O)[O-])CC2)[nH]1 ZINC000549181204 839190801 /nfs/dbraw/zinc/19/08/01/839190801.db2.gz GFWGAIKWXIBSQN-UHFFFAOYSA-N 0 1 383.374 3.987 20 5 GHBDMN C[C@H]1c2ccccc2OCCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC001167379414 839270492 /nfs/dbraw/zinc/27/04/92/839270492.db2.gz PJPMALATEOVGGE-ZDUSSCGKSA-N 0 1 378.388 3.581 20 5 GHBDMN C[C@@H]1c2ccccc2OCCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC001167379413 839270687 /nfs/dbraw/zinc/27/06/87/839270687.db2.gz PJPMALATEOVGGE-CYBMUJFWSA-N 0 1 378.388 3.581 20 5 GHBDMN O=[N+]([O-])c1cc(CN2CCC[C@H]2C[C@@H](O)c2cccs2)c2c(c1)COCO2 ZINC000175819290 839633068 /nfs/dbraw/zinc/63/30/68/839633068.db2.gz MJIWYLCRDFPJMG-DOTOQJQBSA-N 0 1 390.461 3.611 20 5 GHBDMN CSc1ccc(C(=O)N2CCNC[C@H]2c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000261892731 839856944 /nfs/dbraw/zinc/85/69/44/839856944.db2.gz VSZGWNLZYRIZCZ-INIZCTEOSA-N 0 1 391.880 3.757 20 5 GHBDMN O=C(Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1)c1ccc([N+](=O)[O-])o1 ZINC000535803437 844485228 /nfs/dbraw/zinc/48/52/28/844485228.db2.gz OHIZKWHDUCEKPT-UHFFFAOYSA-N 0 1 390.224 3.971 20 5 GHBDMN CCOc1ccc(CN2CCN(c3ccc([N+](=O)[O-])c4cccnc43)CC2)cc1 ZINC000024060006 844577221 /nfs/dbraw/zinc/57/72/21/844577221.db2.gz KDLBWIZUZIFASY-UHFFFAOYSA-N 0 1 392.459 3.864 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC000511856636 840967609 /nfs/dbraw/zinc/96/76/09/840967609.db2.gz YUDWKBTXDTVHRM-QWFCFKBJSA-N 0 1 395.459 3.810 20 5 GHBDMN COc1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)c(C)c1OC ZINC000581361657 841159813 /nfs/dbraw/zinc/15/98/13/841159813.db2.gz MRDWPTDDHQVVMG-KGLIPLIRSA-N 0 1 387.436 3.598 20 5 GHBDMN CN(Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)[C@H]1CCC(=O)N(C)C1 ZINC000600178237 861194134 /nfs/dbraw/zinc/19/41/34/861194134.db2.gz IQXCXIZTTROOPR-INIZCTEOSA-N 0 1 387.411 3.579 20 5 GHBDMN COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[C@H](c3nc4ccc(C)cc4[nH]3)C2)c1 ZINC000302110504 861209778 /nfs/dbraw/zinc/20/97/78/861209778.db2.gz ABJWWPYRSKMEHJ-HNNXBMFYSA-N 0 1 394.431 3.950 20 5 GHBDMN CCCN(CCc1cccc(F)c1)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000500164426 841556432 /nfs/dbraw/zinc/55/64/32/841556432.db2.gz QVHJJMYEMYXFPY-UHFFFAOYSA-N 0 1 385.439 3.578 20 5 GHBDMN CC[C@H](C)[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1nc2ccccc2[nH]1 ZINC000108777203 841693649 /nfs/dbraw/zinc/69/36/49/841693649.db2.gz KSRRKPZSGLECQQ-APPDUMDISA-N 0 1 392.419 3.865 20 5 GHBDMN O=C(CNC1(c2cccc(C(F)(F)F)c2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000477462581 842168164 /nfs/dbraw/zinc/16/81/64/842168164.db2.gz ZPIDFUWAMSTOJY-UHFFFAOYSA-N 0 1 379.338 3.831 20 5 GHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC(=Cc2cccc(F)c2)CC1 ZINC000054030114 842203976 /nfs/dbraw/zinc/20/39/76/842203976.db2.gz ZDWINVHLPBSKLP-UHFFFAOYSA-N 0 1 380.379 3.930 20 5 GHBDMN COC(=O)c1cc(Oc2ccc(Cl)cc2)ccc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126152232 842238703 /nfs/dbraw/zinc/23/87/03/842238703.db2.gz RUHJFLPDTKEVOR-GDBMZVCRSA-N 0 1 390.779 3.523 20 5 GHBDMN C[C@H](N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000279229541 842740939 /nfs/dbraw/zinc/74/09/39/842740939.db2.gz IZRDTDVRDLIGID-DXEWXGHRSA-N 0 1 384.436 3.643 20 5 GHBDMN C[C@H](N[C@@H](C)c1ccc(NC(=O)C2CC2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000028347317 861352298 /nfs/dbraw/zinc/35/22/98/861352298.db2.gz OJNUAOGUFBEKPN-KBPBESRZSA-N 0 1 396.447 3.621 20 5 GHBDMN Cc1cc(N2CCC(CN3CCCCC3=O)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302829276 861379528 /nfs/dbraw/zinc/37/95/28/861379528.db2.gz PBEWOORYUAMIFI-UHFFFAOYSA-N 0 1 382.464 3.680 20 5 GHBDMN CC(C)[C@@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc2c(c1)OCCO2 ZINC000510666934 843158906 /nfs/dbraw/zinc/15/89/06/843158906.db2.gz OFFKBPGMDJJPJM-HXUWFJFHSA-N 0 1 382.420 3.729 20 5 GHBDMN O=C(CCN1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000610614538 843298038 /nfs/dbraw/zinc/29/80/38/843298038.db2.gz YNAHPKCWCVUKSE-TXEJJXNPSA-N 0 1 399.291 3.596 20 5 GHBDMN CCN(c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)cc1)C(C)C ZINC000731047069 861417774 /nfs/dbraw/zinc/41/77/74/861417774.db2.gz KTNJDDARTIUZBF-UHFFFAOYSA-N 0 1 393.465 3.639 20 5 GHBDMN Cc1ccc(NC(=O)NC(=O)[C@@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000056195798 861451818 /nfs/dbraw/zinc/45/18/18/861451818.db2.gz LNKIGDUGZLRVCU-LSDHHAIUSA-N 0 1 384.436 3.599 20 5 GHBDMN C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000056197135 861451880 /nfs/dbraw/zinc/45/18/80/861451880.db2.gz QJDMMCOZUIEBJM-NWDGAFQWSA-N 0 1 379.363 3.874 20 5 GHBDMN CC[C@@H](NCc1ccc(S(C)(=O)=O)c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000277136673 844718126 /nfs/dbraw/zinc/71/81/26/844718126.db2.gz OYLRNJVXUFGHSZ-MRXNPFEDSA-N 0 1 382.869 3.893 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N(C)C[C@H]2CCCO[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000610921148 844850761 /nfs/dbraw/zinc/85/07/61/844850761.db2.gz NOOBBVGAZVOTJG-DNVCBOLYSA-N 0 1 386.452 3.681 20 5 GHBDMN COc1ccc2[nH]cc(C3=CCN(C[C@H](O)c4cccc([N+](=O)[O-])c4)CC3)c2c1 ZINC000178867968 844885368 /nfs/dbraw/zinc/88/53/68/844885368.db2.gz HLIPPTQEAKFUQR-QFIPXVFZSA-N 0 1 393.443 3.907 20 5 GHBDMN Cc1ccc(OC2CCN(C(=O)c3n[nH]c(C(C)C)c3[N+](=O)[O-])CC2)cc1C ZINC000433838220 845469955 /nfs/dbraw/zinc/46/99/55/845469955.db2.gz JHGWTOAATYRSQL-UHFFFAOYSA-N 0 1 386.452 3.742 20 5 GHBDMN CCO[C@H]1C[C@H](N(C)C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C12CCCCC2 ZINC000434246307 845666908 /nfs/dbraw/zinc/66/69/08/845666908.db2.gz RQBHHAOUKJGPNN-KBPBESRZSA-N 0 1 378.473 3.641 20 5 GHBDMN CCc1ccc(C(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000472079877 845748634 /nfs/dbraw/zinc/74/86/34/845748634.db2.gz XPVLRBXQCMNBCS-QGZVFWFLSA-N 0 1 381.476 3.894 20 5 GHBDMN CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN(C)C[C@@H]2CCCOC2)cc1OC ZINC000543846038 845766726 /nfs/dbraw/zinc/76/67/26/845766726.db2.gz YVIXDSHHGOSANX-CVEARBPZSA-N 0 1 380.485 3.887 20 5 GHBDMN CNC(=O)[C@@H]1CCN(Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000421388647 846204083 /nfs/dbraw/zinc/20/40/83/846204083.db2.gz QGDZEQMSJFIZAL-CQSZACIVSA-N 0 1 389.839 3.608 20 5 GHBDMN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000421791623 846597804 /nfs/dbraw/zinc/59/78/04/846597804.db2.gz JRAATVWANMVZOI-INIZCTEOSA-N 0 1 382.464 3.562 20 5 GHBDMN C[C@@H]1CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)[C@H](C)CN1Cc1ccccc1 ZINC000501616976 847060018 /nfs/dbraw/zinc/06/00/18/847060018.db2.gz LKMPUOQEPJBJJO-HZPDHXFCSA-N 0 1 392.459 3.811 20 5 GHBDMN C[C@@H](NC(=O)NC[C@@H](c1ccco1)N1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000604120671 861801073 /nfs/dbraw/zinc/80/10/73/861801073.db2.gz YUEDCCJJIQEFJQ-QAPCUYQASA-N 0 1 386.452 3.775 20 5 GHBDMN COc1ccc(NC(=O)CN[C@@H](CC(F)F)c2ccccc2)c([N+](=O)[O-])c1 ZINC000420994743 847617443 /nfs/dbraw/zinc/61/74/43/847617443.db2.gz NRDPAXMNLQYZKJ-HNNXBMFYSA-N 0 1 379.363 3.528 20 5 GHBDMN CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000502339443 847772437 /nfs/dbraw/zinc/77/24/37/847772437.db2.gz JAJJCPBDQQMEIL-MRXNPFEDSA-N 0 1 384.480 3.906 20 5 GHBDMN C[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccc(C(F)(F)F)cc1 ZINC000481631566 861888157 /nfs/dbraw/zinc/88/81/57/861888157.db2.gz WYKOPFKSGRPTQF-VIFPVBQESA-N 0 1 378.310 3.981 20 5 GHBDMN CN(C)[C@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1ccc(F)cc1 ZINC000604181344 861904268 /nfs/dbraw/zinc/90/42/68/861904268.db2.gz CLCRYGREPVKPPC-MRXNPFEDSA-N 0 1 387.436 3.981 20 5 GHBDMN COc1ccc(C[C@H]2CCCCN2C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])cc1 ZINC000593829153 861968193 /nfs/dbraw/zinc/96/81/93/861968193.db2.gz RUUMZLJKZLTRTH-OAHLLOKOSA-N 0 1 386.452 3.687 20 5 GHBDMN COc1ccc(NC(=O)[C@H](C)N2CC[C@H](c3ccccc3)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000434907506 849891784 /nfs/dbraw/zinc/89/17/84/849891784.db2.gz XONCQNJWPMPQPQ-MPGHIAIKSA-N 0 1 383.448 3.808 20 5 GHBDMN COc1cccc([C@@H]2C[C@@H](C)CN2C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)c1 ZINC000504367249 850047058 /nfs/dbraw/zinc/04/70/58/850047058.db2.gz BOJAEPDTIQFWQC-XIKOKIGWSA-N 0 1 380.404 3.703 20 5 GHBDMN COCCCCN(Cc1ccccc1)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000057459073 862101847 /nfs/dbraw/zinc/10/18/47/862101847.db2.gz UAOIWFWEEBJHDG-UHFFFAOYSA-N 0 1 382.420 3.540 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N(C)[C@H](Cc2ccc(F)cc2)C(C)C)c1[N+](=O)[O-] ZINC000434243956 850921577 /nfs/dbraw/zinc/92/15/77/850921577.db2.gz QDOCVFALRAUWBU-OAHLLOKOSA-N 0 1 376.432 3.920 20 5 GHBDMN CCSc1cccc(NS(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)c1 ZINC000488215519 851273062 /nfs/dbraw/zinc/27/30/62/851273062.db2.gz GQQNZXJWJOHYJZ-UHFFFAOYSA-N 0 1 386.426 3.655 20 5 GHBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCC[C@H]1c1ccc(Br)cn1 ZINC000550080099 851427575 /nfs/dbraw/zinc/42/75/75/851427575.db2.gz QWVIYRNLYOAFOZ-INIZCTEOSA-N 0 1 378.226 3.795 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000604521537 862243843 /nfs/dbraw/zinc/24/38/43/862243843.db2.gz PSBWARHDUJUQDL-AVRDEDQJSA-N 0 1 397.475 3.941 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000604521706 862246048 /nfs/dbraw/zinc/24/60/48/862246048.db2.gz UYXOMPVYXUXFHN-AVRDEDQJSA-N 0 1 397.475 3.941 20 5 GHBDMN O=C(Nc1nc(-c2c(F)cccc2F)cs1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000505805697 851541952 /nfs/dbraw/zinc/54/19/52/851541952.db2.gz VYBKLLCGORZVQD-UHFFFAOYSA-N 0 1 377.328 3.954 20 5 GHBDMN Cc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)N2CCCC2)o1 ZINC000132812504 862274466 /nfs/dbraw/zinc/27/44/66/862274466.db2.gz PLIUQIDDEDGOAV-SFHVURJKSA-N 0 1 394.431 3.611 20 5 GHBDMN O=[N+]([O-])c1ccc(OC(F)F)c(CNCCN2CCCc3ccccc32)c1 ZINC000604532692 862285176 /nfs/dbraw/zinc/28/51/76/862285176.db2.gz SKBGREXEQGHCGO-UHFFFAOYSA-N 0 1 377.391 3.739 20 5 GHBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000425553283 851917102 /nfs/dbraw/zinc/91/71/02/851917102.db2.gz MAIQMUVYKUZNMW-KDOFPFPSSA-N 0 1 398.463 3.987 20 5 GHBDMN CN(c1ccccc1)c1ccc(CNCc2cccc(C(N)=O)c2)cc1[N+](=O)[O-] ZINC000517538195 852067048 /nfs/dbraw/zinc/06/70/48/852067048.db2.gz QWLHRYXPTIGKNX-UHFFFAOYSA-N 0 1 390.443 3.751 20 5 GHBDMN O=C(c1cc([N+](=O)[O-])ccc1SC1CCCC1)N1CC[C@H](N2CCC2)C1 ZINC000912912183 852882513 /nfs/dbraw/zinc/88/25/13/852882513.db2.gz YAHCCNMVKZPTGU-HNNXBMFYSA-N 0 1 375.494 3.550 20 5 GHBDMN CCOc1ccc(SCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1 ZINC000490344813 852950588 /nfs/dbraw/zinc/95/05/88/852950588.db2.gz PKUZREUTABGGDC-UHFFFAOYSA-N 0 1 399.432 3.509 20 5 GHBDMN CCSc1ccc([C@@H](C)NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC000507483910 852965274 /nfs/dbraw/zinc/96/52/74/852965274.db2.gz ILEGKAJYKAQPLG-LLVKDONJSA-N 0 1 384.454 3.885 20 5 GHBDMN Cc1ccc2c(CC(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)n[nH]3)coc2c1C ZINC000490369749 852968094 /nfs/dbraw/zinc/96/80/94/852968094.db2.gz RLIMSXQOEWJFBX-UHFFFAOYSA-N 0 1 391.387 3.924 20 5 GHBDMN O=C(NC1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1)c1ccc(F)cc1 ZINC000506467939 853212161 /nfs/dbraw/zinc/21/21/61/853212161.db2.gz UZUXROXUYZZGMP-HYXAFXHYSA-N 0 1 383.423 3.642 20 5 GHBDMN COc1ccc(OCCN[C@H](c2ccccc2)c2ccccn2)c([N+](=O)[O-])c1 ZINC000437639121 853373719 /nfs/dbraw/zinc/37/37/19/853373719.db2.gz BQOIWCNXGOVDPW-OAQYLSRUSA-N 0 1 379.416 3.756 20 5 GHBDMN C[C@@H](CCc1ccccc1F)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000439186045 853386389 /nfs/dbraw/zinc/38/63/89/853386389.db2.gz FWELEHZSYCZGAH-LBPRGKRZSA-N 0 1 383.383 3.726 20 5 GHBDMN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1ccc(OC2CCC2)cc1 ZINC000439189006 853390939 /nfs/dbraw/zinc/39/09/39/853390939.db2.gz NNEQJIRQGCXUKC-UHFFFAOYSA-N 0 1 379.376 3.564 20 5 GHBDMN CN(Cc1ccc(Br)s1)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000044653014 853745179 /nfs/dbraw/zinc/74/51/79/853745179.db2.gz JOQGPCRLAWXLRE-UHFFFAOYSA-N 0 1 395.238 3.567 20 5 GHBDMN COc1ccc(CN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C(C)(C)C)cc1 ZINC000588985142 854629612 /nfs/dbraw/zinc/62/96/12/854629612.db2.gz VDYSDIZDKRNRMU-UHFFFAOYSA-N 0 1 397.475 3.793 20 5 GHBDMN CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](c1cccc(OC)c1)N(C)C ZINC000589374112 854814624 /nfs/dbraw/zinc/81/46/24/854814624.db2.gz VLDGQCGEYVEMEI-IBGZPJMESA-N 0 1 386.452 3.590 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2nc(CN3CCN(CCc4cccs4)CC3)co2)cc1 ZINC000536359584 855120328 /nfs/dbraw/zinc/12/03/28/855120328.db2.gz OERPWXGEEAOSOG-UHFFFAOYSA-N 0 1 398.488 3.672 20 5 GHBDMN O=C(Nc1cc(Cl)ccc1O)C1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000053018909 855156581 /nfs/dbraw/zinc/15/65/81/855156581.db2.gz RHLHSPBUMRCEFZ-UHFFFAOYSA-N 0 1 389.839 3.805 20 5 GHBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC(C2CCOCC2)CC1 ZINC000153615647 855311949 /nfs/dbraw/zinc/31/19/49/855311949.db2.gz BHYCSDFTLZGTPH-AWEZNQCLSA-N 0 1 386.452 3.844 20 5 GHBDMN Cc1cc(Cl)ncc1NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C ZINC000165994480 855361883 /nfs/dbraw/zinc/36/18/83/855361883.db2.gz JSKMDPJGQPRYER-UHFFFAOYSA-N 0 1 376.221 3.714 20 5 GHBDMN Cc1cc(N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000572964698 855468244 /nfs/dbraw/zinc/46/82/44/855468244.db2.gz VYSDWIGXLKQWQX-KXBFYZLASA-N 0 1 383.448 3.924 20 5 GHBDMN Cn1ccnc1[C@H](NC1CCC(OC(F)F)CC1)c1cccc([N+](=O)[O-])c1 ZINC000590662466 855538173 /nfs/dbraw/zinc/53/81/73/855538173.db2.gz TVRWOBIVRZQIAE-AVVWSFFYSA-N 0 1 380.395 3.558 20 5 GHBDMN C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000590715751 855558800 /nfs/dbraw/zinc/55/88/00/855558800.db2.gz XSAAUFLQAOOIGF-JQWIXIFHSA-N 0 1 382.342 3.788 20 5 GHBDMN COc1cc(CN2CCC[C@@H]3COC[C@@H]32)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000590972146 855681459 /nfs/dbraw/zinc/68/14/59/855681459.db2.gz KFBDTZUTVIAGMT-QUCCMNQESA-N 0 1 398.459 3.793 20 5 GHBDMN CN(C)[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000591066413 855763284 /nfs/dbraw/zinc/76/32/84/855763284.db2.gz UGLOPDCUCADXCQ-OTWHNJEPSA-N 0 1 387.867 3.771 20 5 GHBDMN CCc1[nH]nc(C(=O)N(Cc2cccs2)Cc2cccs2)c1[N+](=O)[O-] ZINC000171371113 856107455 /nfs/dbraw/zinc/10/74/55/856107455.db2.gz JNCKAFBBRWSDCK-UHFFFAOYSA-N 0 1 376.463 3.846 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2noc(CN3CCCC[C@@H]3[C@H]3CCCC[C@@H]3O)n2)c1 ZINC000280991849 862781270 /nfs/dbraw/zinc/78/12/70/862781270.db2.gz LWUVWIAKONEVHA-KURKYZTESA-N 0 1 386.452 3.550 20 5 GHBDMN C[C@@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)[C@@H](C)CN1Cc1ccccc1 ZINC000499439642 856331591 /nfs/dbraw/zinc/33/15/91/856331591.db2.gz XFBVQKPNXWZLID-MSOLQXFVSA-N 0 1 381.476 3.649 20 5 GHBDMN Cc1nc(-c2cccc(NS(=O)(=O)c3ccc([N+](=O)[O-])c(C)c3)c2)oc1C ZINC000172183142 856364510 /nfs/dbraw/zinc/36/45/10/856364510.db2.gz DKRNXJKHSUIZON-UHFFFAOYSA-N 0 1 387.417 3.976 20 5 GHBDMN CN(C)[C@@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC000184840700 856455688 /nfs/dbraw/zinc/45/56/88/856455688.db2.gz HMHHXXTZHXPZOG-KRWDZBQOSA-N 0 1 395.381 3.575 20 5 GHBDMN Cc1nc([C@@H]2CCCN(c3ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n3)C2)n[nH]1 ZINC000485418795 856495672 /nfs/dbraw/zinc/49/56/72/856495672.db2.gz WBEJQIONQGDGQF-CQSZACIVSA-N 0 1 382.399 3.606 20 5 GHBDMN Cc1nnc([C@@H]2CCCN(c3ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n3)C2)[nH]1 ZINC000485418795 856495681 /nfs/dbraw/zinc/49/56/81/856495681.db2.gz WBEJQIONQGDGQF-CQSZACIVSA-N 0 1 382.399 3.606 20 5 GHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC[C@@H](CSc2ccccc2)C1 ZINC000173250018 856820003 /nfs/dbraw/zinc/82/00/03/856820003.db2.gz PNCGAEMFNYWFAT-CYBMUJFWSA-N 0 1 382.445 3.726 20 5 GHBDMN O=C(N[C@H](c1c(F)cccc1F)C(F)(F)F)c1cc(O)cc([N+](=O)[O-])c1 ZINC000508082589 856876271 /nfs/dbraw/zinc/87/62/71/856876271.db2.gz TXGOMGHIVCOQGI-CYBMUJFWSA-N 0 1 376.237 3.612 20 5 GHBDMN C[C@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])c1cccc(Br)c1 ZINC000173458163 856940667 /nfs/dbraw/zinc/94/06/67/856940667.db2.gz GHAOWIWQPRFYLM-NSHDSACASA-N 0 1 378.226 3.647 20 5 GHBDMN COCC(C)(C)N(Cc1ccccc1)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000485758074 857028819 /nfs/dbraw/zinc/02/88/19/857028819.db2.gz VXMZFQSWCZRPIZ-UHFFFAOYSA-N 0 1 382.420 3.539 20 5 GHBDMN CN(C)Cc1cc(CNc2ncc(Br)cc2[N+](=O)[O-])ccc1F ZINC000301712887 857346573 /nfs/dbraw/zinc/34/65/73/857346573.db2.gz YQYHUUFVIPINPX-UHFFFAOYSA-N 0 1 383.221 3.565 20 5 GHBDMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000113526944 857547061 /nfs/dbraw/zinc/54/70/61/857547061.db2.gz MAMGKRWFGVLFKL-UHFFFAOYSA-N 0 1 383.452 3.607 20 5 GHBDMN CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1c1cc(C)c([N+](=O)[O-])cn1 ZINC000301764888 857595436 /nfs/dbraw/zinc/59/54/36/857595436.db2.gz CTRXEIKUBYXLNT-MGPUTAFESA-N 0 1 383.496 3.739 20 5 GHBDMN CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)[C@H]1CCOC1 ZINC000132112958 857702394 /nfs/dbraw/zinc/70/23/94/857702394.db2.gz HNMZTWPIAPKIQZ-LBPRGKRZSA-N 0 1 381.226 3.838 20 5 GHBDMN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCCN2CCCCC2)cc1 ZINC000058980408 857854137 /nfs/dbraw/zinc/85/41/37/857854137.db2.gz KYAQJRMCTKBSLP-UHFFFAOYSA-N 0 1 399.447 3.611 20 5 GHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(Br)ccc2Cl)s1 ZINC000066585873 858195017 /nfs/dbraw/zinc/19/50/17/858195017.db2.gz LYHIKOZBNWHXBQ-UHFFFAOYSA-N 0 1 397.659 3.873 20 5 GHBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21 ZINC000594733682 858267682 /nfs/dbraw/zinc/26/76/82/858267682.db2.gz BMHLKHGBMHDBBT-BZSNNMDCSA-N 0 1 376.453 3.847 20 5 GHBDMN COCc1nc(CNCc2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)n[nH]1 ZINC000594968236 858349229 /nfs/dbraw/zinc/34/92/29/858349229.db2.gz FFVMSDCPZGBMGE-UHFFFAOYSA-N 0 1 399.476 3.609 20 5 GHBDMN CCN1CC[C@H](NCc2csc([N+](=O)[O-])c2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000543101265 858362674 /nfs/dbraw/zinc/36/26/74/858362674.db2.gz RYSQQTYWXZFXRT-YOEHRIQHSA-N 0 1 385.411 3.999 20 5 GHBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000595789325 858688085 /nfs/dbraw/zinc/68/80/85/858688085.db2.gz LYCWRSNFXPJBKU-HFTRVMKXSA-N 0 1 386.452 3.987 20 5 GHBDMN COC(=O)c1cnc([C@@H]2CCCN([C@H](C)c3ccccc3[N+](=O)[O-])C2)s1 ZINC000595921081 858735343 /nfs/dbraw/zinc/73/53/43/858735343.db2.gz SSDRALNVKKNXFX-CHWSQXEVSA-N 0 1 375.450 3.779 20 5 GHBDMN Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)ccc1Br ZINC000522365710 859229089 /nfs/dbraw/zinc/22/90/89/859229089.db2.gz DGTGZDAQOKABOP-UHFFFAOYSA-N 0 1 385.239 3.775 20 5 GHBDMN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccc(-c3nccc(C)n3)cc2)c1 ZINC000543658821 859264005 /nfs/dbraw/zinc/26/40/05/859264005.db2.gz QBZZQIVNKAZYMO-UHFFFAOYSA-N 0 1 398.444 3.778 20 5 GHBDMN COc1cc(CSc2nc(C(C)(C)C)n[nH]2)c([N+](=O)[O-])cc1OC(F)F ZINC000054783083 859391215 /nfs/dbraw/zinc/39/12/15/859391215.db2.gz HVJKHIKZJHSLHT-UHFFFAOYSA-N 0 1 388.396 3.913 20 5 GHBDMN COc1cc(CSc2n[nH]c(C(C)(C)C)n2)c([N+](=O)[O-])cc1OC(F)F ZINC000054783083 859391221 /nfs/dbraw/zinc/39/12/21/859391221.db2.gz HVJKHIKZJHSLHT-UHFFFAOYSA-N 0 1 388.396 3.913 20 5 GHBDMN Cc1c(CN2CCSCC2)cccc1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000138972229 859560952 /nfs/dbraw/zinc/56/09/52/859560952.db2.gz ZUNPUXKPLRSGOD-UHFFFAOYSA-N 0 1 385.489 3.633 20 5 GHBDMN COc1c(C)cnc(CN2CCC(N(C)c3ccc([N+](=O)[O-])cc3)CC2)c1C ZINC000301973862 859594019 /nfs/dbraw/zinc/59/40/19/859594019.db2.gz BBJHEXQYJIPNDF-UHFFFAOYSA-N 0 1 384.480 3.716 20 5 GHBDMN C[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000611236042 859657885 /nfs/dbraw/zinc/65/78/85/859657885.db2.gz NNRUAXMGLRUZIS-JKSUJKDBSA-N 0 1 380.448 3.831 20 5 GHBDMN COC(=O)C[C@H](NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CCCCC1 ZINC000543462722 859781619 /nfs/dbraw/zinc/78/16/19/859781619.db2.gz BIGBTFSAEWCNMB-SFHVURJKSA-N 0 1 387.436 3.851 20 5 GHBDMN CO[C@H](c1ccccc1Cl)[C@H](C)NCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611521512 859792937 /nfs/dbraw/zinc/79/29/37/859792937.db2.gz NUQYBQNPSWCHSA-BUXKBTBVSA-N 0 1 392.839 3.885 20 5 GHBDMN COc1ccc(C)cc1[C@H](C)NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000727239501 860009628 /nfs/dbraw/zinc/00/96/28/860009628.db2.gz LHEUEZXJDGIWDU-LBPRGKRZSA-N 0 1 377.828 3.855 20 5 GHBDMN O=[N+]([O-])c1ccc2[nH]c(CSc3nc(-c4cc(F)cc(F)c4)n[nH]3)nc2c1 ZINC000484495570 860067242 /nfs/dbraw/zinc/06/72/42/860067242.db2.gz OFJNDKADBZPQEC-UHFFFAOYSA-N 0 1 388.359 3.827 20 5 GHBDMN NC(=O)C[C@H]1CCCCN1Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000092588879 860083029 /nfs/dbraw/zinc/08/30/29/860083029.db2.gz BOVLVMATCHNJBY-MRXNPFEDSA-N 0 1 387.411 3.756 20 5 GHBDMN CC(=O)c1ccc(NCC2(N3CCSCC3)CCCCC2)c([N+](=O)[O-])c1 ZINC000484565665 860141961 /nfs/dbraw/zinc/14/19/61/860141961.db2.gz CUQVIZJVUUVTQI-UHFFFAOYSA-N 0 1 377.510 3.961 20 5 GHBDMN C[C@@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 ZINC000195233839 881531827 /nfs/dbraw/zinc/53/18/27/881531827.db2.gz LRTJLVMLDHTPJP-GFCCVEGCSA-N 0 1 392.253 3.671 20 5 GHBDMN CC(C)(C)Oc1cc(N2CCC(CCN3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000484908029 860492290 /nfs/dbraw/zinc/49/22/90/860492290.db2.gz SUHDDWZSWKXBLS-UHFFFAOYSA-N 0 1 391.512 3.711 20 5 GHBDMN O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(CC2CCC(C(F)(F)F)CC2)CC1 ZINC000185516942 860672935 /nfs/dbraw/zinc/67/29/35/860672935.db2.gz VOVKLYGZEMOZCI-UHFFFAOYSA-N 0 1 399.413 3.721 20 5 GHBDMN COC(=O)[C@H](C)CN(Cc1ccccc1)Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000761293239 860674818 /nfs/dbraw/zinc/67/48/18/860674818.db2.gz UOCKXJVNEHYURN-OAHLLOKOSA-N 0 1 396.447 3.522 20 5 GHBDMN CCCCNC(=O)[C@H]1CC[C@H](C)N(Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000609193889 881617845 /nfs/dbraw/zinc/61/78/45/881617845.db2.gz WSNZWGIQWNJRCQ-IRXDYDNUSA-N 0 1 391.512 3.899 20 5 GHBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC000593747765 861163187 /nfs/dbraw/zinc/16/31/87/861163187.db2.gz BYULBROBZSVVBG-OAQYLSRUSA-N 0 1 384.432 3.610 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2ncn(CN(CCc3cccc(F)c3)C3CC3)n2)cc1 ZINC000733789489 863166356 /nfs/dbraw/zinc/16/63/56/863166356.db2.gz UFHRNQVQJLQCNN-UHFFFAOYSA-N 0 1 381.411 3.657 20 5 GHBDMN C[C@H](NCc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000173351567 881718610 /nfs/dbraw/zinc/71/86/10/881718610.db2.gz YTPIOPITQILGAF-ZACQAIPSSA-N 0 1 397.475 3.695 20 5 GHBDMN Cc1ccc(NC(=O)[C@H](N[C@H]2CCO[C@H]2C2CC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000494436557 881721660 /nfs/dbraw/zinc/72/16/60/881721660.db2.gz LHCRXORXBHEEGD-TYPHKJRUSA-N 0 1 395.459 3.740 20 5 GHBDMN CN1CC[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000534018934 865985215 /nfs/dbraw/zinc/98/52/15/865985215.db2.gz MISHWORJUGJKEJ-WBVHZDCISA-N 0 1 393.365 3.789 20 5 GHBDMN CN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CCN(CCC(F)(F)F)CC1 ZINC000457093617 867650523 /nfs/dbraw/zinc/65/05/23/867650523.db2.gz YHSMHUBVKYKZMP-UHFFFAOYSA-N 0 1 393.793 3.737 20 5 GHBDMN COc1ccc([C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c2ccc(F)cc2)cc1 ZINC000475621532 867808757 /nfs/dbraw/zinc/80/87/57/867808757.db2.gz UPSVKLLXOYMJIS-FQEVSTJZSA-N 0 1 396.374 3.968 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(Cc2noc(CCc3nc4cccc(C)c4[nH]3)n2)c1 ZINC000445575901 868689402 /nfs/dbraw/zinc/68/94/02/868689402.db2.gz SNLNWNNWXXDYHZ-UHFFFAOYSA-N 0 1 393.403 3.547 20 5 GHBDMN Cc1sc(Br)cc1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000122235867 869184820 /nfs/dbraw/zinc/18/48/20/869184820.db2.gz QGRJAPRRMHNNDQ-UHFFFAOYSA-N 0 1 377.241 3.528 20 5 GHBDMN C[C@@H]1C[C@@H]1N1C[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1=O ZINC000539515708 869264844 /nfs/dbraw/zinc/26/48/44/869264844.db2.gz VZNIEXZANVCUTP-QFSBIZTOSA-N 0 1 389.839 3.607 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCc1ccc(F)c(F)c1 ZINC000462549338 869656254 /nfs/dbraw/zinc/65/62/54/869656254.db2.gz JODFWACQUDVAMV-UHFFFAOYSA-N 0 1 397.186 3.658 20 5 GHBDMN COc1cc(CN(C)CCOc2cccc([N+](=O)[O-])c2)c(SC)cc1OC ZINC000524971985 869856153 /nfs/dbraw/zinc/85/61/53/869856153.db2.gz GSKTWTMGQLYORT-UHFFFAOYSA-N 0 1 392.477 3.845 20 5 GHBDMN CCOc1ccc([C@@H](C)N[C@@H]2CC(=O)N(c3ccccc3F)C2)cc1[N+](=O)[O-] ZINC000462943961 870475438 /nfs/dbraw/zinc/47/54/38/870475438.db2.gz OHTPFECXDPKJPY-UKRRQHHQSA-N 0 1 387.411 3.589 20 5 GHBDMN Cc1cc(S(=O)(=O)Nc2cc3cccnc3c3ncccc23)cnc1Cl ZINC001192572434 870551924 /nfs/dbraw/zinc/55/19/24/870551924.db2.gz WKMNLEAFSZVRFD-UHFFFAOYSA-N 0 1 384.848 3.941 20 5 GHBDMN Cc1ccc([C@H](C)N[C@@H]2CC(=O)N([C@H]3C[C@H]3c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000540187864 870678892 /nfs/dbraw/zinc/67/88/92/870678892.db2.gz FSELSGDKXALPMT-FCBIJRMHSA-N 0 1 379.460 3.711 20 5 GHBDMN COc1ccc(-c2n[nH]c(Sc3cc(C)c([N+](=O)[O-])cc3F)n2)c(OC)c1 ZINC000461780592 870945802 /nfs/dbraw/zinc/94/58/02/870945802.db2.gz YZUBTNPVENIPBK-UHFFFAOYSA-N 0 1 390.396 3.996 20 5 GHBDMN O=C(Nc1ccccc1)[C@@H](Cc1ccccc1)NCc1ccc([N+](=O)[O-])cc1 ZINC000109350311 882464422 /nfs/dbraw/zinc/46/44/22/882464422.db2.gz KODOKLGENMMDIB-OAQYLSRUSA-N 0 1 375.428 3.934 20 5 GHBDMN COC(=O)c1sccc1NC(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000447128734 871080983 /nfs/dbraw/zinc/08/09/83/871080983.db2.gz PDNPHXZQFYXMMX-UHFFFAOYSA-N 0 1 391.224 3.519 20 5 GHBDMN COc1cc(C)c(NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)cc1C ZINC000766586541 871200179 /nfs/dbraw/zinc/20/01/79/871200179.db2.gz TYNTWFKOAUYUJK-UHFFFAOYSA-N 0 1 384.841 3.983 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1CC(=O)N([C@@H]2C[C@H]2c2ccccc2)C1 ZINC000539089011 871284473 /nfs/dbraw/zinc/28/44/73/871284473.db2.gz HSUQAJWSCUPAJL-APMMZXSISA-N 0 1 379.460 3.711 20 5 GHBDMN O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N[C@@H]1c2ccccc2CC[C@@H]1F ZINC001194047163 871463057 /nfs/dbraw/zinc/46/30/57/871463057.db2.gz WOIUZUANEBKOAP-XJKSGUPXSA-N 0 1 384.816 3.552 20 5 GHBDMN Cc1ccc([C@@H](C)NCC(=O)NCCc2ccc(OC(C)C)cc2)cc1[N+](=O)[O-] ZINC000181809523 871497317 /nfs/dbraw/zinc/49/73/17/871497317.db2.gz OTKGRGVNEMUUEM-QGZVFWFLSA-N 0 1 399.491 3.700 20 5 GHBDMN C[C@@H]1CN(c2cccc3cnccc32)CCN1CCOc1ccccc1[N+](=O)[O-] ZINC000447401514 871538462 /nfs/dbraw/zinc/53/84/62/871538462.db2.gz ZKNZRLRFTPTCBH-QGZVFWFLSA-N 0 1 392.459 3.733 20 5 GHBDMN C[C@H](NCC(=O)NCCc1cccc(Cl)c1Cl)c1cccc([N+](=O)[O-])c1 ZINC000539277906 871606177 /nfs/dbraw/zinc/60/61/77/871606177.db2.gz ZSRVLFDUPBXRFQ-LBPRGKRZSA-N 0 1 396.274 3.911 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C)c1ccccc1C(F)(F)F ZINC000539357775 871754602 /nfs/dbraw/zinc/75/46/02/871754602.db2.gz IFYFOEFHTDCCIS-NSHDSACASA-N 0 1 397.353 3.912 20 5 GHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)CCNC2(c3ccc(F)cc3)CCCC2)cc1 ZINC000182152240 871915692 /nfs/dbraw/zinc/91/56/92/871915692.db2.gz OOJSSPCRDJCTDP-UHFFFAOYSA-N 0 1 392.452 3.567 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](C)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001194899406 872019118 /nfs/dbraw/zinc/01/91/18/872019118.db2.gz RIZRFUDDSVSXSV-ZBFHGGJFSA-N 0 1 393.484 3.586 20 5 GHBDMN CN(C)[C@@H]1CCOc2c(NC(=O)CCCNc3ccc([N+](=O)[O-])cc3)cccc21 ZINC000447723853 872212137 /nfs/dbraw/zinc/21/21/37/872212137.db2.gz RRAOGHTZQZMTAP-LJQANCHMSA-N 0 1 398.463 3.811 20 5 GHBDMN CC(C)(C)OC(=O)N[C@@H]1C[C@@H](NCc2c(F)cc([N+](=O)[O-])cc2F)C1(C)C ZINC001195670156 872539795 /nfs/dbraw/zinc/53/97/95/872539795.db2.gz OILWBMCKIYBAFN-HUUCEWRRSA-N 0 1 385.411 3.654 20 5 GHBDMN CCOc1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)c2ncccc12 ZINC000463790039 872561900 /nfs/dbraw/zinc/56/19/00/872561900.db2.gz WJKKUHDIJFOTJG-UHFFFAOYSA-N 0 1 387.417 3.651 20 5 GHBDMN CCCOc1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2OC)c(C)c1 ZINC000619466940 872663064 /nfs/dbraw/zinc/66/30/64/872663064.db2.gz FJWPADATXBHLSO-UHFFFAOYSA-N 0 1 380.422 3.501 20 5 GHBDMN CC1(C)CCC[C@@](CO)(NCc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC001196217317 872958863 /nfs/dbraw/zinc/95/88/63/872958863.db2.gz JOZQNIQWFFBNTR-GOSISDBHSA-N 0 1 394.859 3.719 20 5 GHBDMN COc1cccc([C@H]2[C@H](NCc3c(F)cccc3[N+](=O)[O-])CCN2C2CC2)c1 ZINC000619809938 873038238 /nfs/dbraw/zinc/03/82/38/873038238.db2.gz JOUOQCPQVSOBEW-CTNGQTDRSA-N 0 1 385.439 3.810 20 5 GHBDMN CC(C)c1cc([C@@H]2CCCN([C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])C2)[nH]n1 ZINC001197543132 873887892 /nfs/dbraw/zinc/88/78/92/873887892.db2.gz PELDHZKFHONQSP-LSDHHAIUSA-N 0 1 385.468 3.648 20 5 GHBDMN CCCCN1Cc2cccc(NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)c2C1 ZINC000541587613 873934133 /nfs/dbraw/zinc/93/41/33/873934133.db2.gz OWHSDOIBNBCQJR-UHFFFAOYSA-N 0 1 389.477 3.820 20 5 GHBDMN O=C1[C@H](N2CC[C@@H](CSc3ccccc3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000464766665 874458763 /nfs/dbraw/zinc/45/87/63/874458763.db2.gz UWVXULBHFXBKOO-OXQOHEQNSA-N 0 1 397.500 3.814 20 5 GHBDMN O=C(Nc1ccc(N2CCSCC2)c(Cl)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000770414176 874656992 /nfs/dbraw/zinc/65/69/92/874656992.db2.gz ATZSWGGKXQRTGM-UHFFFAOYSA-N 0 1 393.852 3.759 20 5 GHBDMN O=C(NC[C@@H](c1ccco1)N1CCCC1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000858151818 882889232 /nfs/dbraw/zinc/88/92/32/882889232.db2.gz SENPDTGBBMNHLM-IBGZPJMESA-N 0 1 379.416 3.908 20 5 GHBDMN COc1ccc([C@H](CNC(=O)c2cc(C)ccc2[N+](=O)[O-])N2CCCCC2)cc1 ZINC000152318230 875391761 /nfs/dbraw/zinc/39/17/61/875391761.db2.gz OAJNGQZDKNCBTD-NRFANRHFSA-N 0 1 397.475 3.869 20 5 GHBDMN Cn1cccc1[C@@H]1CCCCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000450066725 875932194 /nfs/dbraw/zinc/93/21/94/875932194.db2.gz HPTGDVITUCRKBB-IBGZPJMESA-N 0 1 379.420 3.691 20 5 GHBDMN COC(=O)Cc1ccc(NC[C@H](c2ccco2)N2CCCCC2)c([N+](=O)[O-])c1 ZINC000450217505 876097392 /nfs/dbraw/zinc/09/73/92/876097392.db2.gz RVLASJYGZJMVHK-GOSISDBHSA-N 0 1 387.436 3.542 20 5 GHBDMN Cc1[nH]ncc1CCCNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000192715332 877282916 /nfs/dbraw/zinc/28/29/16/877282916.db2.gz YQONUFQXVMQPJB-UHFFFAOYSA-N 0 1 394.431 3.568 20 5 GHBDMN Cc1cc(C)c([N+](=O)[O-])cc1NS(=O)(=O)c1ccccc1Br ZINC000192731947 877377977 /nfs/dbraw/zinc/37/79/77/877377977.db2.gz IADRFQDKQONQNO-UHFFFAOYSA-N 0 1 385.239 3.775 20 5 GHBDMN CN1CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@@H]1Cc1ccccc1 ZINC001170073471 877422339 /nfs/dbraw/zinc/42/23/39/877422339.db2.gz GGBFWDVYRUWJJV-SFHVURJKSA-N 0 1 393.409 3.972 20 5 GHBDMN COc1cc(CN(C)CCOc2ccc([N+](=O)[O-])cc2)c(SC)cc1OC ZINC000610161224 877466324 /nfs/dbraw/zinc/46/63/24/877466324.db2.gz SWDLGHLSULRHEQ-UHFFFAOYSA-N 0 1 392.477 3.845 20 5 GHBDMN COc1ccc(CC(=O)Nc2ccc3nc(-c4ccco4)[nH]c3c2)cc1[N+](=O)[O-] ZINC000067909681 877627425 /nfs/dbraw/zinc/62/74/25/877627425.db2.gz HEXYAYQOULWQHT-UHFFFAOYSA-N 0 1 392.371 3.921 20 5 GHBDMN O=C(Cc1cccc([N+](=O)[O-])c1)N[C@H]1CCc2nc(C3CCCCC3)[nH]c2C1 ZINC000788244814 877944318 /nfs/dbraw/zinc/94/43/18/877944318.db2.gz OUMIILXXTMSQJH-INIZCTEOSA-N 0 1 382.464 3.582 20 5 GHBDMN Cc1ccc2[nH]cc(C(=O)N(C)Cc3cc([N+](=O)[O-])ccc3Cl)c(=O)c2c1 ZINC000788275121 877988768 /nfs/dbraw/zinc/98/87/68/877988768.db2.gz USTIDOSMTHFBRS-UHFFFAOYSA-N 0 1 385.807 3.670 20 5 GHBDMN O=C(CN1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)N1CCC[C@H](C(F)(F)F)C1 ZINC000451546367 878119186 /nfs/dbraw/zinc/11/91/86/878119186.db2.gz JDGQMQCIDSPGAZ-CVEARBPZSA-N 0 1 399.413 3.575 20 5 GHBDMN CC1(C)C[C@H](NCCS(=O)(=O)Cc2ccccc2)c2cc([N+](=O)[O-])ccc21 ZINC000788580518 878183073 /nfs/dbraw/zinc/18/30/73/878183073.db2.gz MSWRSRXGYMSWAM-IBGZPJMESA-N 0 1 388.489 3.522 20 5 GHBDMN CN(C)[C@H](CNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])c1cccs1 ZINC000537731392 878208135 /nfs/dbraw/zinc/20/81/35/878208135.db2.gz OXLDWYOOCJWXIS-MRXNPFEDSA-N 0 1 396.472 3.751 20 5 GHBDMN CN(CCCN(C)C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])Cc1ccco1 ZINC000451726874 878359927 /nfs/dbraw/zinc/35/99/27/878359927.db2.gz WGMWHHPPLMXVLV-UHFFFAOYSA-N 0 1 399.369 3.801 20 5 GHBDMN O=C(OCc1nc2ccc(Br)cc2[nH]1)c1cc([N+](=O)[O-])ccc1F ZINC000789035425 878558802 /nfs/dbraw/zinc/55/88/02/878558802.db2.gz XTLHAZATBJINMY-UHFFFAOYSA-N 0 1 394.156 3.730 20 5 GHBDMN CN(C)[C@H](CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000530841186 878636227 /nfs/dbraw/zinc/63/62/27/878636227.db2.gz IPBFJKSRLDRFHG-GOSISDBHSA-N 0 1 390.871 3.693 20 5 GHBDMN COc1cc(CNCc2ccn(C)c2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000530879278 878692595 /nfs/dbraw/zinc/69/25/95/878692595.db2.gz MSXPUXJLBRMEFJ-UHFFFAOYSA-N 0 1 381.432 3.811 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2noc(CNC3(Cc4ccccc4)CCOCC3)n2)c1 ZINC000451933758 878700592 /nfs/dbraw/zinc/70/05/92/878700592.db2.gz CEWVSLCENHPUBR-UHFFFAOYSA-N 0 1 394.431 3.526 20 5 GHBDMN CN(C)Cc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)cc1F ZINC000493680906 879596798 /nfs/dbraw/zinc/59/67/98/879596798.db2.gz ZKBHASNGIMDMSD-UHFFFAOYSA-N 0 1 399.344 3.744 20 5 GHBDMN CCC(CC)(CC(=O)OC)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000531389975 879764528 /nfs/dbraw/zinc/76/45/28/879764528.db2.gz FUDSLVBIXHRKBC-UHFFFAOYSA-N 0 1 377.466 3.930 20 5 GHBDMN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCCc1c(Cl)cccc1Cl ZINC000520156973 879914425 /nfs/dbraw/zinc/91/44/25/879914425.db2.gz PNDSBTQGUQHPPB-UHFFFAOYSA-N 0 1 393.223 3.562 20 5 GHBDMN Cc1ccc([C@@H](C)NCC(=O)Nc2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000543704203 880175360 /nfs/dbraw/zinc/17/53/60/880175360.db2.gz RRAAJTOMJXJTNN-GFCCVEGCSA-N 0 1 392.253 3.955 20 5 GHBDMN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NCc1nc2ccc(Cl)cc2[nH]1 ZINC000791128656 880202615 /nfs/dbraw/zinc/20/26/15/880202615.db2.gz HEGSIIBWNGOQDU-UHFFFAOYSA-N 0 1 397.193 3.776 20 5 GHBDMN Cc1csc(Nc2cccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)c2)n1 ZINC000520307147 880758429 /nfs/dbraw/zinc/75/84/29/880758429.db2.gz BBNRJKBTCWZEFG-UHFFFAOYSA-N 0 1 390.446 3.904 20 5 GHBDMN CN(c1ccccc1)c1ccc(CN[C@H]2C[C@@H]3CCCCN3C2=O)cc1[N+](=O)[O-] ZINC000453623286 881173584 /nfs/dbraw/zinc/17/35/84/881173584.db2.gz JKDXLVLQVZMCKT-OALUTQOASA-N 0 1 394.475 3.606 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1CN[C@H](C)c1ccc(NC(=O)NC(C)C)cc1 ZINC000542499183 883569862 /nfs/dbraw/zinc/56/98/62/883569862.db2.gz OVMXDOBNFLCXHR-CQSZACIVSA-N 0 1 386.452 3.984 20 5 GHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCCC[C@H]1c1nc2ccccc2o1 ZINC000475787416 883815495 /nfs/dbraw/zinc/81/54/95/883815495.db2.gz GIJFRJHLAILQHG-INIZCTEOSA-N 0 1 391.387 3.980 20 5 GHBDMN CN(C)c1ccc(C2CCN(Cn3ncc4ccc([N+](=O)[O-])cc43)CC2)cc1 ZINC000774695747 912900865 /nfs/dbraw/zinc/90/08/65/912900865.db2.gz SUDLJGHFAJNZTJ-UHFFFAOYSA-N 0 1 379.464 3.848 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)Nc2ccc3nc(-c4ccccn4)[nH]c3c2)c1[N+](=O)[O-] ZINC000537557483 885349615 /nfs/dbraw/zinc/34/96/15/885349615.db2.gz MFBURQKAQGFWOE-UHFFFAOYSA-N 0 1 391.391 3.632 20 5 GHBDMN CC1(C)C[N@@H+](Cc2ccccc2)C(C)(C)CN1C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC001168202895 885705857 /nfs/dbraw/zinc/70/58/57/885705857.db2.gz PMGZWLXVHSZILE-UHFFFAOYSA-N 0 1 397.475 3.816 20 5 GHBDMN COc1ccc(NC(=O)CN(Cc2ccccc2)CC2CCC2)c([N+](=O)[O-])c1 ZINC000532486007 885817525 /nfs/dbraw/zinc/81/75/25/885817525.db2.gz VRHSVRIKCIVDGB-UHFFFAOYSA-N 0 1 383.448 3.844 20 5 GHBDMN C[C@H]1C[C@H](c2ccc(F)cc2)CN1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000532579551 886166002 /nfs/dbraw/zinc/16/60/02/886166002.db2.gz OZQNWAFSYXLEAA-YOEHRIQHSA-N 0 1 383.423 3.501 20 5 GHBDMN CCN(CC)[C@H](CNC(=O)c1ccc(SC)c([N+](=O)[O-])c1)c1ccco1 ZINC000195075647 886317841 /nfs/dbraw/zinc/31/78/41/886317841.db2.gz XGMORTYOPLNEBI-OAHLLOKOSA-N 0 1 377.466 3.723 20 5 GHBDMN COC(=O)c1cc(C(=O)Nc2ccc3nc(C(C)(C)C)[nH]c3c2)cc([N+](=O)[O-])c1 ZINC000032465278 886678726 /nfs/dbraw/zinc/67/87/26/886678726.db2.gz IXZMZDPTJOQTTC-UHFFFAOYSA-N 0 1 396.403 3.808 20 5 GHBDMN CC1(c2nsc(NC(=O)c3ccnc(-c4ccccc4)c3[N+](=O)[O-])n2)CC1 ZINC001131457261 886785711 /nfs/dbraw/zinc/78/57/11/886785711.db2.gz NNIVHVFXWNNZOP-UHFFFAOYSA-N 0 1 381.417 3.812 20 5 GHBDMN O=C1CCc2cc([N+](=O)[O-])c(NC[C@H](c3ccco3)N3CCCCC3)cc2N1 ZINC000193585585 886911721 /nfs/dbraw/zinc/91/17/21/886911721.db2.gz VWQYNMBSHVKNLN-GOSISDBHSA-N 0 1 384.436 3.712 20 5 GHBDMN COc1cccc2c1CCN([C@H](C)c1nnc(-c3ccc([N+](=O)[O-])cc3)o1)CC2 ZINC000193724370 887304179 /nfs/dbraw/zinc/30/41/79/887304179.db2.gz PULUQGIKPARDGL-CQSZACIVSA-N 0 1 394.431 3.815 20 5 GHBDMN O=[N+]([O-])c1cccnc1N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000301090727 887315451 /nfs/dbraw/zinc/31/54/51/887315451.db2.gz MSUOVIZWUVCHGJ-UHFFFAOYSA-N 0 1 380.370 3.721 20 5 GHBDMN Cc1cnc([C@@H](NCCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C2CC2)s1 ZINC000130419132 887887893 /nfs/dbraw/zinc/88/78/93/887887893.db2.gz ZSVCRRQQRBKCGK-INIZCTEOSA-N 0 1 378.429 3.568 20 5 GHBDMN CCOc1ccc([C@@H](C)NCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000809872959 887901419 /nfs/dbraw/zinc/90/14/19/887901419.db2.gz SLQBMQQQLIYDJQ-GFCCVEGCSA-N 0 1 377.828 3.936 20 5 GHBDMN O=C(NC[C@@H](c1ccco1)N1CCCC1)Nc1cccc([N+](=O)[O-])c1Cl ZINC000809912493 887934280 /nfs/dbraw/zinc/93/42/80/887934280.db2.gz DWIKJYKEOWQILC-AWEZNQCLSA-N 0 1 378.816 3.800 20 5 GHBDMN O=C(c1ccc(Cl)cc1)C1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000272603428 888044553 /nfs/dbraw/zinc/04/45/53/888044553.db2.gz REYIGBHSMYHANF-UHFFFAOYSA-N 0 1 388.807 3.689 20 5 GHBDMN CCN1CCN(c2cc(N(C)C(=O)CCCC(C)C)cc([N+](=O)[O-])c2)CC1 ZINC001132059154 888136736 /nfs/dbraw/zinc/13/67/36/888136736.db2.gz MOXUGRBPWBBKGH-UHFFFAOYSA-N 0 1 376.501 3.526 20 5 GHBDMN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNCc1cccc(-n2cncn2)c1 ZINC000811481256 889667914 /nfs/dbraw/zinc/66/79/14/889667914.db2.gz SWEGYSZSDCSXAZ-UHFFFAOYSA-N 0 1 378.219 3.772 20 5 GHBDMN O=[N+]([O-])c1cc(CO)c(N2CCCN(Cc3ccc(Cl)cc3)CC2)cc1F ZINC001184681679 913386267 /nfs/dbraw/zinc/38/62/67/913386267.db2.gz SRHKMHLCRKUQPM-UHFFFAOYSA-N 0 1 393.846 3.592 20 5 GHBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000795104702 890270031 /nfs/dbraw/zinc/27/00/31/890270031.db2.gz ZISXVIXDUDVDIE-UWWQBHOKSA-N 0 1 375.469 3.987 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2cnc(CCN3CCC[C@H](OCC(F)(F)F)C3)o2)c1 ZINC000533449268 890566206 /nfs/dbraw/zinc/56/62/06/890566206.db2.gz SGEMRZWOCWMQLL-HNNXBMFYSA-N 0 1 399.369 3.836 20 5 GHBDMN COCCOc1ccc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2SC)cn1 ZINC000872025476 891122606 /nfs/dbraw/zinc/12/26/06/891122606.db2.gz NKQLCEMTAGWEOK-CYBMUJFWSA-N 0 1 377.466 3.588 20 5 GHBDMN CN1C[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[C@@H](c2ccccc2)C1 ZINC000497414252 891531929 /nfs/dbraw/zinc/53/19/29/891531929.db2.gz DBTJEONQURLOFN-SJORKVTESA-N 0 1 381.457 3.637 20 5 GHBDMN O=C(Nc1ccc(OC(F)F)cc1OC(F)F)c1cc(O)cc([N+](=O)[O-])c1 ZINC000475984574 891679864 /nfs/dbraw/zinc/67/98/64/891679864.db2.gz KJFVAEFARWEKDC-UHFFFAOYSA-N 0 1 390.245 3.756 20 5 GHBDMN CCCN(CCC)C(=O)c1ccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1 ZINC000475990892 891904801 /nfs/dbraw/zinc/90/48/01/891904801.db2.gz OVEQLDJWHFCEAU-UHFFFAOYSA-N 0 1 385.420 3.815 20 5 GHBDMN C[C@@H]1CN(C)[C@@H](C)CN1C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000509684019 892784354 /nfs/dbraw/zinc/78/43/54/892784354.db2.gz JVVFBTRSLCVSFL-LSDHHAIUSA-N 0 1 385.489 3.911 20 5 GHBDMN O=C(OCc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1cccc(-c2nnc[nH]2)c1 ZINC000815229761 893586040 /nfs/dbraw/zinc/58/60/40/893586040.db2.gz LMFBYCSXJYCMPJ-UHFFFAOYSA-N 0 1 392.293 3.756 20 5 GHBDMN COc1ccc(-c2ccc(CNCc3n[nH]c(C(C)(C)C)n3)o2)c([N+](=O)[O-])c1 ZINC000459679793 894055752 /nfs/dbraw/zinc/05/57/52/894055752.db2.gz PVTIZLFLWUXVAR-UHFFFAOYSA-N 0 1 385.424 3.569 20 5 GHBDMN COC(=O)COc1ccc(CN[C@H](C)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000459766210 894190679 /nfs/dbraw/zinc/19/06/79/894190679.db2.gz PFJHGXVEWJCAPI-GFCCVEGCSA-N 0 1 378.812 3.651 20 5 GHBDMN COc1ccccc1[C@H](C)N(C)C(=O)CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000537178688 894502180 /nfs/dbraw/zinc/50/21/80/894502180.db2.gz WPYFMAXXVMGABN-HOTGVXAUSA-N 0 1 385.464 3.782 20 5 GHBDMN CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc2c1OCC[C@@H]2N(C)C ZINC000935719219 894754153 /nfs/dbraw/zinc/75/41/53/894754153.db2.gz ZTBRCMCGXGTWKI-INIZCTEOSA-N 0 1 387.461 3.954 20 5 GHBDMN COc1cc(Sc2nc(-c3cc(F)cc(F)c3)n[nH]2)c([N+](=O)[O-])cc1OC ZINC001185517696 913932921 /nfs/dbraw/zinc/93/29/21/913932921.db2.gz FNODPWMOYQQBJM-UHFFFAOYSA-N 0 1 394.359 3.827 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2ccc(CN3CCC[C@H]([C@H](O)C(F)(F)F)C3)o2)c1 ZINC000565814008 895903819 /nfs/dbraw/zinc/90/38/19/895903819.db2.gz VNAFUVFJJUORNK-GUYCJALGSA-N 0 1 384.354 3.990 20 5 GHBDMN C[C@H]1C[C@@H](CCNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000566293280 896220697 /nfs/dbraw/zinc/22/06/97/896220697.db2.gz LJXNNMHMGXFAKG-QFBILLFUSA-N 0 1 397.475 3.935 20 5 GHBDMN Cc1ccc([C@H](CN2CCOCC2)N[C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000566475271 896332919 /nfs/dbraw/zinc/33/29/19/896332919.db2.gz LRHDEBDUPQKHEP-RTWAWAEBSA-N 0 1 381.476 3.554 20 5 GHBDMN C[N@@H+](CCc1cccc([N+](=O)[O-])c1)[C@@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC000566860563 896640452 /nfs/dbraw/zinc/64/04/52/896640452.db2.gz PELRTAPXJJCBCL-MRXNPFEDSA-N 0 1 382.338 3.914 20 5 GHBDMN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(F)cc1OC(C)C ZINC000778566077 896786936 /nfs/dbraw/zinc/78/69/36/896786936.db2.gz DAWTVUWRBIGXHS-UHFFFAOYSA-N 0 1 386.376 3.769 20 5 GHBDMN COc1ccc(C(=O)Nc2nc(-c3cccc4ccccc43)n[nH]2)cc1[N+](=O)[O-] ZINC000065514922 896811785 /nfs/dbraw/zinc/81/17/85/896811785.db2.gz XOHKUBGSUDKYEY-UHFFFAOYSA-N 0 1 389.371 3.794 20 5 GHBDMN O=[N+]([O-])c1cc(Br)ccc1CN[C@H](c1nnc[nH]1)C1CCCCC1 ZINC000883295625 897464154 /nfs/dbraw/zinc/46/41/54/897464154.db2.gz NMWQOVYAIQENPU-HNNXBMFYSA-N 0 1 394.273 3.887 20 5 GHBDMN O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)Nc2cccc(F)c2F)c1Cl ZINC000821163081 897770582 /nfs/dbraw/zinc/77/05/82/897770582.db2.gz DWCVBLZYYSMXRV-UHFFFAOYSA-N 0 1 383.159 3.981 20 5 GHBDMN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1CCCO[C@@H](c2ccccc2)C1 ZINC001136684813 898880140 /nfs/dbraw/zinc/88/01/40/898880140.db2.gz ZHVFLZKBNIRZOT-HXUWFJFHSA-N 0 1 392.415 3.589 20 5 GHBDMN O=Cc1ccc(-c2ccc(O)c(C(=O)N3CCc4c3cccc4[N+](=O)[O-])c2)o1 ZINC001136912918 899734388 /nfs/dbraw/zinc/73/43/88/899734388.db2.gz UTFRIDGNTWMCOF-UHFFFAOYSA-N 0 1 378.340 3.576 20 5 GHBDMN O=C(Nc1ccc([N+](=O)[O-])cc1F)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000571546203 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RKKIDWFOHQCNLI-OAHLLOKOSA-N 0 1 389.477 3.608 20 5 GHBDMN CC[C@H]1CN(Cc2ccc([N+](=O)[O-])c(OC)c2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000778950443 902097361 /nfs/dbraw/zinc/09/73/61/902097361.db2.gz KHTSBPMWSZWQQI-HOTGVXAUSA-N 0 1 393.484 3.729 20 5 GHBDMN C[C@@H]1CN(Cc2ccc(CNC(=O)Nc3ccc([N+](=O)[O-])cc3)cc2)C[C@H](C)O1 ZINC000047611636 902204205 /nfs/dbraw/zinc/20/42/05/902204205.db2.gz PTWQOOBNVJQANQ-IYBDPMFKSA-N 0 1 398.463 3.526 20 5 GHBDMN C[C@@H](CNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)N1CCC(C)CC1 ZINC000576901862 902346915 /nfs/dbraw/zinc/34/69/15/902346915.db2.gz BVVHREAQUSXIDQ-INIZCTEOSA-N 0 1 377.488 3.532 20 5 GHBDMN O=C(c1cc([N+](=O)[O-])ccc1Sc1ccccc1)N1CC(N2CCCC2)C1 ZINC001146803368 903615742 /nfs/dbraw/zinc/61/57/42/903615742.db2.gz NSIRJMLSEAEINB-UHFFFAOYSA-N 0 1 383.473 3.666 20 5 GHBDMN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C ZINC001148654137 904138439 /nfs/dbraw/zinc/13/84/39/904138439.db2.gz QQLXEIJUSGEADP-KRWDZBQOSA-N 0 1 379.819 3.728 20 5 GHBDMN O=C(NCc1cc(F)c(C(F)(F)F)cc1F)c1cc(O)cc([N+](=O)[O-])c1 ZINC000579049064 904314377 /nfs/dbraw/zinc/31/43/77/904314377.db2.gz GHWIEVVGCUKHIP-UHFFFAOYSA-N 0 1 376.237 3.527 20 5 GHBDMN Cc1cc(NC(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)ccc1[N+](=O)[O-] ZINC000153740724 904393221 /nfs/dbraw/zinc/39/32/21/904393221.db2.gz BQKSUZWNMOVFBA-HNNXBMFYSA-N 0 1 383.452 3.645 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2noc(CN3CC[C@@H](COCc4ccccc4)C3)n2)cc1 ZINC000173657178 905088220 /nfs/dbraw/zinc/08/82/20/905088220.db2.gz HNBFGUUEHHOTQP-QGZVFWFLSA-N 0 1 394.431 3.684 20 5 GHBDMN O=[N+]([O-])c1cc(F)c(N2CCC(NCc3nc4ccccc4o3)CC2)c(F)c1 ZINC001173005296 906079113 /nfs/dbraw/zinc/07/91/13/906079113.db2.gz BEADYVCVKUDYIT-UHFFFAOYSA-N 0 1 388.374 3.773 20 5 GHBDMN C[C@H](C(=O)OCc1ccc(Br)c([N+](=O)[O-])c1)N1CCCCCC1 ZINC000773444489 907347472 /nfs/dbraw/zinc/34/74/72/907347472.db2.gz ZZHZUMJYMOALJC-GFCCVEGCSA-N 0 1 385.258 3.665 20 5 GHBDMN CCOc1cc(CN2C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC001176727955 908229079 /nfs/dbraw/zinc/22/90/79/908229079.db2.gz MJWVCBKNABFWPK-GDBMZVCRSA-N 0 1 393.484 3.586 20 5 GHBDMN C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cn1ncc2c1cccc2Br ZINC000795645238 911656248 /nfs/dbraw/zinc/65/62/48/911656248.db2.gz RXRKDSMWPPCKDH-UHFFFAOYSA-N 0 1 389.253 3.839 20 5 GHBDMN CN(CCc1ccccc1[N+](=O)[O-])Cn1ncc2c1cccc2Br ZINC000795645238 911656254 /nfs/dbraw/zinc/65/62/54/911656254.db2.gz RXRKDSMWPPCKDH-UHFFFAOYSA-N 0 1 389.253 3.839 20 5 GHBDMN O=[N+]([O-])c1ccc([O-])cc1C[NH+]1CCC(O)(c2ccccc2C(F)(F)F)CC1 ZINC000775124923 915317790 /nfs/dbraw/zinc/31/77/90/915317790.db2.gz QQBGZAOZAIKNIZ-UHFFFAOYSA-N 0 1 396.365 3.803 20 5 GHBDMN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCC[C@H](c2cc(C(C)C)n[nH]2)C1 ZINC001187519247 915327983 /nfs/dbraw/zinc/32/79/83/915327983.db2.gz WYKVMUXHDUOKBM-AWEZNQCLSA-N 0 1 386.452 3.920 20 5 GHBDMN C[C@@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1OCCc2sccc21 ZINC000292457778 915693983 /nfs/dbraw/zinc/69/39/83/915693983.db2.gz QCDHDWJNKUCQQI-QGHHPUGFSA-N 0 1 395.868 3.540 20 5 GHBDMN O=C(CSc1nc(-c2ccccc2)n[nH]1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000006178848 916540651 /nfs/dbraw/zinc/54/06/51/916540651.db2.gz RNJIUKOXXFLHAS-UHFFFAOYSA-N 0 1 389.824 3.764 20 5 GHBDMN CC(C)(C)OC(=O)Nc1cccc2c1N(C(=O)c1cc(O)cc([N+](=O)[O-])c1)CC2 ZINC000775297148 916866813 /nfs/dbraw/zinc/86/68/13/916866813.db2.gz NEDYLHVDWAYPIW-UHFFFAOYSA-N 0 1 399.403 3.850 20 5 GHBDMN C[C@H](c1ccncc1)N1CCC(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000295172795 917186156 /nfs/dbraw/zinc/18/61/56/917186156.db2.gz FRNGAFDGFLYDCQ-CYBMUJFWSA-N 0 1 388.855 3.599 20 5 GHBDMN Cc1cc(Cl)c(C(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)cc1[N+](=O)[O-] ZINC000297087977 919047261 /nfs/dbraw/zinc/04/72/61/919047261.db2.gz KHXVHNYJCQSHPM-GFCCVEGCSA-N 0 1 389.843 3.572 20 5 GHBDMN Cc1ccc([N+](=O)[O-])c(C)c1NS(=O)(=O)c1cc2c(cc1Cl)CCC2=O ZINC000800929166 920614499 /nfs/dbraw/zinc/61/44/99/920614499.db2.gz KABKKYRRPJSUJA-UHFFFAOYSA-N 0 1 394.836 3.795 20 5 GHBDMN CC(C)(C)c1ccc(NC(=O)CSc2n[nH]c(=S)s2)cc1[N+](=O)[O-] ZINC000803614151 923103297 /nfs/dbraw/zinc/10/32/97/923103297.db2.gz JUZLKGUVJDLTMN-UHFFFAOYSA-N 0 1 384.508 3.763 20 5 GHBDMN CCCc1[nH]nc(C(=O)N(C)CCCc2cc(-c3ccccc3)no2)c1[N+](=O)[O-] ZINC000369144404 923148935 /nfs/dbraw/zinc/14/89/35/923148935.db2.gz OYXJYQJRYZQOJB-UHFFFAOYSA-N 0 1 397.435 3.630 20 5 GHBDMN CCCOc1ccc2c(c1)CCN(CCC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000410026434 925253380 /nfs/dbraw/zinc/25/33/80/925253380.db2.gz FCGCXHHYWSQIAP-UHFFFAOYSA-N 0 1 383.448 3.771 20 5 GHBDMN O=C(N[C@@H]1CCCc2cn[nH]c21)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000373325120 926019515 /nfs/dbraw/zinc/01/95/15/926019515.db2.gz RXXSWSJNLPXLFE-GOSISDBHSA-N 0 1 392.415 3.704 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1CN1CCC([C@@H]2CCCCCN2C(C)=O)CC1 ZINC000373783880 926421346 /nfs/dbraw/zinc/42/13/46/926421346.db2.gz UNOYOKSVZBXDKL-FQEVSTJZSA-N 0 1 389.496 3.607 20 5 GHBDMN CSc1ccc(OC[C@@H](O)CNC(C)(C)c2ccccc2[N+](=O)[O-])cc1 ZINC000411758351 926744467 /nfs/dbraw/zinc/74/44/67/926744467.db2.gz NMUZFRLCABJLQZ-AWEZNQCLSA-N 0 1 376.478 3.581 20 5 GHBDMN COc1cccc(CN(CC(C)C)Cn2nc(C)c3cc([N+](=O)[O-])cnc32)c1 ZINC000749947831 927364756 /nfs/dbraw/zinc/36/47/56/927364756.db2.gz ICPIQXRREKBPTG-UHFFFAOYSA-N 0 1 383.452 3.772 20 5 GHBDMN O=C1N(CN2CCC[C@H]2Cc2ccccc2)CCN1c1ccccc1[N+](=O)[O-] ZINC000752786035 929022364 /nfs/dbraw/zinc/02/23/64/929022364.db2.gz JZXSKPTYWVQYFZ-SFHVURJKSA-N 0 1 380.448 3.501 20 5 GHBDMN Cc1cc(Cl)c(S(=O)(=O)Nc2ccc(OC(F)F)cc2)cc1[N+](=O)[O-] ZINC000753069229 929190171 /nfs/dbraw/zinc/19/01/71/929190171.db2.gz ROUJFQRGCFLNIB-UHFFFAOYSA-N 0 1 392.767 3.959 20 5 GHBDMN Cc1nnc(SCCC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)[nH]1 ZINC000469565542 929993716 /nfs/dbraw/zinc/99/37/16/929993716.db2.gz QPZKESXSGDNEIA-UHFFFAOYSA-N 0 1 399.432 3.935 20 5 GHBDMN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1ccc(Nc2ccncc2)cc1 ZINC000469683842 930080604 /nfs/dbraw/zinc/08/06/04/930080604.db2.gz ZLFLEXLEUFQNJI-UHFFFAOYSA-N 0 1 390.443 3.908 20 5 GHBDMN O=C(Nc1cc(F)c(N2CCCCC2)c(F)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000780741545 930589323 /nfs/dbraw/zinc/58/93/23/930589323.db2.gz OSOZKXOXFVNCGG-UHFFFAOYSA-N 0 1 377.347 3.821 20 5 GHBDMN O=[N+]([O-])c1ccc2[nH]cc(Cc3noc(-c4cccc(-c5nnc[nH]5)c4)n3)c2c1 ZINC000547268356 930866846 /nfs/dbraw/zinc/86/68/46/930866846.db2.gz XHCTYLDUTIKYEP-UHFFFAOYSA-N 0 1 387.359 3.502 20 5 GHBDMN C/C(=C\C(=O)NC[C@H](c1ccco1)N1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000783731503 931634763 /nfs/dbraw/zinc/63/47/63/931634763.db2.gz XJYQMJUMOJHFAF-JRJUITNWSA-N 0 1 383.448 3.935 20 5 GHBDMN Cc1cc(C)cc([C@H]2CCN(Cn3cnc(-c4ccc([N+](=O)[O-])cc4)n3)C2)c1 ZINC000784031345 931761563 /nfs/dbraw/zinc/76/15/63/931761563.db2.gz VDQAMIONJISZNF-SFHVURJKSA-N 0 1 377.448 3.917 20 5 GHBDMN Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(F)c1 ZINC000777592556 932137463 /nfs/dbraw/zinc/13/74/63/932137463.db2.gz ZRGJKALEHNIYPM-UHFFFAOYSA-N 0 1 389.202 3.606 20 5 GHBDMN CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](CC)N2CCc3ccccc3C2)c1 ZINC000558762565 932218495 /nfs/dbraw/zinc/21/84/95/932218495.db2.gz TWIRHUWOFUWTOA-SFHVURJKSA-N 0 1 397.475 3.560 20 5 GHBDMN COc1cc(CN[C@H](CNC(=O)OC(C)(C)C)C(C)(C)C)c([N+](=O)[O-])cc1F ZINC000799202781 932913548 /nfs/dbraw/zinc/91/35/48/932913548.db2.gz CRJAWULVNQSUND-MRXNPFEDSA-N 0 1 399.463 3.772 20 5 GHBDMN O=[N+]([O-])c1cc(CN[C@@]2(CO)CCCc3ccccc32)ccc1Br ZINC000799343190 932959098 /nfs/dbraw/zinc/95/90/98/932959098.db2.gz BQUJXAOCZZRTFB-GOSISDBHSA-N 0 1 391.265 3.671 20 5 GHBDMN O=[N+]([O-])c1cc(CN[C@]2(CO)CCCc3ccccc32)ccc1Br ZINC000799343191 932959564 /nfs/dbraw/zinc/95/95/64/932959564.db2.gz BQUJXAOCZZRTFB-SFHVURJKSA-N 0 1 391.265 3.671 20 5 GHBDMN CN(C(=O)c1ccc2cncn2c1)c1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000560090899 933058428 /nfs/dbraw/zinc/05/84/28/933058428.db2.gz OOYCWHRYRUCDOD-UHFFFAOYSA-N 0 1 379.401 3.643 20 5 GHBDMN O=C(NCCc1nc2ccc(F)cc2[nH]1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000561290161 934023649 /nfs/dbraw/zinc/02/36/49/934023649.db2.gz YDLFCVCCLVZUIT-UHFFFAOYSA-N 0 1 396.300 3.602 20 5 GHBDMN O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)c1cc(-c2ccc(F)cc2)no1 ZINC001124610411 935426606 /nfs/dbraw/zinc/42/66/06/935426606.db2.gz USVZYHPAWMULRN-UHFFFAOYSA-N 0 1 399.334 3.803 20 5 GHBDMN O=C(Nc1nnc(-c2ccco2)s1)c1c(Br)cccc1[N+](=O)[O-] ZINC001124623275 935429902 /nfs/dbraw/zinc/42/99/02/935429902.db2.gz ZBJHFEBBNQIMIY-UHFFFAOYSA-N 0 1 395.194 3.721 20 5 GHBDMN Cc1cc([N+](=O)[O-])c(F)c(C(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)c1F ZINC000830010702 935890129 /nfs/dbraw/zinc/89/01/29/935890129.db2.gz YSBHVEUARKCNRH-DZGCQCFKSA-N 0 1 389.402 3.574 20 5 GHBDMN Cc1cc([N+](=O)[O-])c(F)c(C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)c1F ZINC000830285442 935926629 /nfs/dbraw/zinc/92/66/29/935926629.db2.gz KNWOKABGLXEEHF-OAHLLOKOSA-N 0 1 389.402 3.528 20 5 GHBDMN Cc1cc([N+](=O)[O-])c(F)c(C(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)c1F ZINC000830285439 935926765 /nfs/dbraw/zinc/92/67/65/935926765.db2.gz KNWOKABGLXEEHF-HNNXBMFYSA-N 0 1 389.402 3.528 20 5 GHBDMN O=C([O-])C[C@H]1CSCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000901984246 980664442 /nfs/dbraw/zinc/66/44/42/980664442.db2.gz ZECZWOJXBXJGPG-AWEZNQCLSA-N 0 1 378.475 3.715 20 5 GHBDMN C[C@H]([NH2+][C@H](C(=O)[O-])c1ccccc1Br)c1ccccc1[N+](=O)[O-] ZINC001599901065 984826500 /nfs/dbraw/zinc/82/65/00/984826500.db2.gz LCRGLQVSMUGIGF-BONVTDFDSA-N 0 1 379.210 3.834 20 5 GHBDMN CCN(CC)[C@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)c1ccco1 ZINC000468094020 1015252266 /nfs/dbraw/zinc/25/22/66/1015252266.db2.gz NXNGULGCHWAFEL-MRXNPFEDSA-N 0 1 394.859 3.724 20 5 GHBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)CNc1ccc(CCN2CCOCC2)cc1 ZINC000468653723 1015875819 /nfs/dbraw/zinc/87/58/19/1015875819.db2.gz XRLOPUJKFGPRAJ-OBGWFSINSA-N 0 1 381.476 3.985 20 5 GHBDMN C[C@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001594267375 999037092 /nfs/dbraw/zinc/03/70/92/999037092.db2.gz XGUREBFJCLTFHN-BBRMVZONSA-N 0 1 388.395 3.575 20 5 GHBDMN COc1c(F)cc(F)cc1-c1noc(-c2cc(-c3cccc([N+](=O)[O-])c3)n[nH]2)n1 ZINC001212995242 1032278633 /nfs/dbraw/zinc/27/86/33/1032278633.db2.gz QBFMXCGHZCDHOU-UHFFFAOYSA-N 0 1 399.313 3.989 20 5 GHBDMN COc1c(F)cc(-c2noc(-c3cc(-c4cccc([N+](=O)[O-])c4)n[nH]3)n2)cc1F ZINC001212995207 1032278694 /nfs/dbraw/zinc/27/86/94/1032278694.db2.gz OCFWTNSHDWOPAC-UHFFFAOYSA-N 0 1 399.313 3.989 20 5 GHBDMN CSc1nc(O[C@@H]2CCc3cc(Br)ccc32)c([N+](=O)[O-])c(=O)[nH]1 ZINC001227625393 1032490034 /nfs/dbraw/zinc/49/00/34/1032490034.db2.gz XEDWAQAZLPOGAU-SNVBAGLBSA-N 0 1 398.238 3.641 20 5 GHBDMN O=[N+]([O-])c1ccc2[n-]c(O[C@@H]3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)nc2c1 ZINC001227742638 1032538940 /nfs/dbraw/zinc/53/89/40/1032538940.db2.gz CGIUIJGMSSSWAP-RIFZZMRRSA-N 0 1 378.432 3.761 20 5 GHBDMN O=[N+]([O-])c1ccc2[n-]c(O[C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)nc2c1 ZINC001227742638 1032538944 /nfs/dbraw/zinc/53/89/44/1032538944.db2.gz CGIUIJGMSSSWAP-RIFZZMRRSA-N 0 1 378.432 3.761 20 5 GHBDMN O=[N+]([O-])c1ccc2[n-]c(O[C@@H]3CC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]34)nc2c1 ZINC001227742639 1032539557 /nfs/dbraw/zinc/53/95/57/1032539557.db2.gz CGIUIJGMSSSWAP-WRWLIDTKSA-N 0 1 378.432 3.761 20 5 GHBDMN O=[N+]([O-])c1ccc2[n-]c(O[C@@H]3CC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]34)nc2c1 ZINC001227742639 1032539566 /nfs/dbraw/zinc/53/95/66/1032539566.db2.gz CGIUIJGMSSSWAP-WRWLIDTKSA-N 0 1 378.432 3.761 20 5 GHBDMN C[C@H](N[C@H]1CCCc2c(O)cccc21)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000192354085 1020865840 /nfs/dbraw/zinc/86/58/40/1020865840.db2.gz NBYMSBFJNRAHOW-ZBEGNZNMSA-N 0 1 389.839 3.948 20 5 GHBDMN CC(C)(C)OC(=O)NC[C@@]1(C)CCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000802654010 1021515021 /nfs/dbraw/zinc/51/50/21/1021515021.db2.gz DQMPEBIAJVDZRQ-FHVRUZERSA-N 0 1 375.469 3.845 20 5 GHBDMN CCc1[nH]nc(C(=O)N2CC[C@@H](c3cc(F)c(F)c(F)c3)C2(C)C)c1[N+](=O)[O-] ZINC001156364665 1033003334 /nfs/dbraw/zinc/00/33/34/1033003334.db2.gz MWNJPEXEGJFSPC-JTQLQIEISA-N 0 1 396.369 3.706 20 5 GHBDMN Cc1c(C(=O)Nc2ccc(CN(C)C)c(F)c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000754870627 1022941297 /nfs/dbraw/zinc/94/12/97/1022941297.db2.gz FJKHKWKNBYYTLT-UHFFFAOYSA-N 0 1 390.371 3.573 20 5 GHBDMN CCOc1cc(CN2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000755067982 1023058750 /nfs/dbraw/zinc/05/87/50/1023058750.db2.gz VTGHYGMDZAIMLH-GOEBONIOSA-N 0 1 393.484 3.729 20 5 GHBDMN O=[N+]([O-])c1c(O)cc(C(F)(F)F)nc1O[C@@H]1CCc2c1nccc2Cl ZINC001228862829 1033144884 /nfs/dbraw/zinc/14/48/84/1033144884.db2.gz PFKRAPALVFRKEO-SECBINFHSA-N 0 1 375.690 3.829 20 5 GHBDMN O=C(NCc1cc([N+](=O)[O-])ccc1Cl)c1ccc(Nc2ccncc2)cc1 ZINC000756993644 1023901501 /nfs/dbraw/zinc/90/15/01/1023901501.db2.gz WBGSMSIJPLHINI-UHFFFAOYSA-N 0 1 382.807 3.739 20 5 GHBDMN O=C(Nc1ccc(F)c(F)c1O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000837266751 1024301531 /nfs/dbraw/zinc/30/15/31/1024301531.db2.gz ZWGOAXIAFJQGEH-UHFFFAOYSA-N 0 1 377.347 3.821 20 5 GHBDMN O=[N+]([O-])c1ccc2ccnc(OC[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)c2c1 ZINC001229007146 1033227947 /nfs/dbraw/zinc/22/79/47/1033227947.db2.gz GDQPVKDPLMDLED-FQEVSTJZSA-N 0 1 393.443 3.813 20 5 GHBDMN COc1ccc2nc([C@H](C)NC(=O)c3c(C)cc(C)c([N+](=O)[O-])c3C)[nH]c2c1 ZINC001138587682 1025069722 /nfs/dbraw/zinc/06/97/22/1025069722.db2.gz DDDDTKUZMQVEHI-ZDUSSCGKSA-N 0 1 382.420 3.896 20 5 GHBDMN COc1cc(CN2CC[C@H](Nc3cc(C)sc3[N+](=O)[O-])C2)cc(OC)c1 ZINC001162763208 1025910601 /nfs/dbraw/zinc/91/06/01/1025910601.db2.gz QZRLAPFQTQVGHD-AWEZNQCLSA-N 0 1 377.466 3.668 20 5 GHBDMN O=C(CN1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839589839 1026088015 /nfs/dbraw/zinc/08/80/15/1026088015.db2.gz OVYBKMCEKZBRCB-KYJSFNMBSA-N 0 1 395.887 3.592 20 5 GHBDMN NC(=O)[C@@]1(c2ccccc2)CCN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000839644124 1026153754 /nfs/dbraw/zinc/15/37/54/1026153754.db2.gz USSXUNYKBKWVFA-SFHVURJKSA-N 0 1 394.258 3.531 20 5 GHBDMN O=[N+]([O-])c1ccc2oc(=S)n(CN3CCCC[C@@H]3[C@@H]3CCC[C@H]3O)c2c1 ZINC000840114383 1027221248 /nfs/dbraw/zinc/22/12/48/1027221248.db2.gz HOSQEFOGJPHLKR-SQWLQELKSA-N 0 1 377.466 3.845 20 5 GHBDMN COC(=O)c1cc(Nc2ccc(O)c([N+](=O)[O-])c2)c(Br)cc1OC ZINC001210398478 1027490244 /nfs/dbraw/zinc/49/02/44/1027490244.db2.gz ZROQGHSDDFCKEX-UHFFFAOYSA-N 0 1 397.181 3.602 20 5 GHBDMN CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1Nc1ccc(F)cc1[N+](=O)[O-] ZINC001210951692 1027717408 /nfs/dbraw/zinc/71/74/08/1027717408.db2.gz MXQGNBAYNFLIGS-UHFFFAOYSA-N 0 1 395.412 3.726 20 5 GHBDMN C[C@H](NCCS(=O)(=O)C1CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000840881184 1027918507 /nfs/dbraw/zinc/91/85/07/1027918507.db2.gz GYHSFTGVEROQRJ-LBPRGKRZSA-N 0 1 380.491 3.551 20 5 GHBDMN COc1cc([N+](=O)[O-])c(-c2nc(-c3ccc(Cl)cc3OC)no2)cc1O ZINC001216344013 1029609801 /nfs/dbraw/zinc/60/98/01/1029609801.db2.gz XMYSSXNKWNRVOO-UHFFFAOYSA-N 0 1 377.740 3.688 20 5 GHBDMN Cc1cc(-c2nc(-c3cccc(N4CCN(C)CC4)c3)no2)c([N+](=O)[O-])cc1C ZINC001216945206 1030018285 /nfs/dbraw/zinc/01/82/85/1030018285.db2.gz ZXRFJGKXZKTYPS-UHFFFAOYSA-N 0 1 393.447 3.680 20 5 GHBDMN Cc1cc(F)c([N+](=O)[O-])cc1-c1nc(-c2ccc(N3CCN(C)CC3)cc2)no1 ZINC001216966892 1030039759 /nfs/dbraw/zinc/03/97/59/1030039759.db2.gz LTJSSRCLBJNBCH-UHFFFAOYSA-N 0 1 397.410 3.511 20 5 GHBDMN COC(=O)c1cc([N+](=O)[O-])ccc1CO[C@@H]1CCCN([C@@H](C)c2ccccn2)C1 ZINC001223448014 1030578350 /nfs/dbraw/zinc/57/83/50/1030578350.db2.gz FBHJIQFCGCMZIS-MAUKXSAKSA-N 0 1 399.447 3.519 20 5 GHBDMN COc1cc(CO[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC001223905436 1030801071 /nfs/dbraw/zinc/80/10/71/1030801071.db2.gz KLQLSCKTHLWPDN-SFHVURJKSA-N 0 1 386.448 3.793 20 5 GHBDMN O=[N+]([O-])c1cc(F)cc([N+](=O)[O-])c1O[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001225890023 1031678306 /nfs/dbraw/zinc/67/83/06/1031678306.db2.gz WPAQZHUNPLZBLS-OAHLLOKOSA-N 0 1 375.356 3.686 20 5 GHBDMN CC(=O)CC(=O)Nc1ccc2nc(O[C@@H](C)c3cccc([N+](=O)[O-])c3)[nH]c2c1 ZINC001231185365 1034451146 /nfs/dbraw/zinc/45/11/46/1034451146.db2.gz LFALXIRVSRFXHQ-LBPRGKRZSA-N 0 1 382.376 3.529 20 5 GHBDMN Cc1cc(O)c([N+](=O)[O-])c(OC2CCC3(CN(C(=O)OC(C)(C)C)C3)CC2)n1 ZINC001231258589 1034487718 /nfs/dbraw/zinc/48/77/18/1034487718.db2.gz ACBNLCQVWYXGDG-UHFFFAOYSA-N 0 1 393.440 3.562 20 5 GHBDMN CC(C)(C)OC(=O)N1CC[C@@H]2CN(Cc3ccc([N+](=O)[O-])c(Cl)c3)C[C@@H]2C1 ZINC001207711365 1034539492 /nfs/dbraw/zinc/53/94/92/1034539492.db2.gz BWNNWMOHCZRBGS-HUUCEWRRSA-N 0 1 395.887 3.937 20 5 GHBDMN c1ccc2c(c1)cc1ccccc1c2-c1nc2c(c(N3CCOCC3)n1)CNC2 ZINC001241379265 1035570326 /nfs/dbraw/zinc/57/03/26/1035570326.db2.gz SOSYRUWRFLIRLP-UHFFFAOYSA-N 0 1 382.467 3.890 20 5 GHBDMN CC(C)(C)OC(=O)NCC1(CCNCc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC001462403222 1070230996 /nfs/dbraw/zinc/23/09/96/1070230996.db2.gz ITZYNUDLTARKPN-UHFFFAOYSA-N 0 1 390.440 3.521 20 5 GHBDMN O=[N+]([O-])c1ccc(N2CCC(N[C@@H](c3ccccc3)c3cccnn3)CC2)cc1 ZINC001254476631 1040264865 /nfs/dbraw/zinc/26/48/65/1040264865.db2.gz UWIJSHCOBJKYJF-QFIPXVFZSA-N 0 1 389.459 3.733 20 5 GHBDMN C[C@@H](Cc1ccccc1[N+](=O)[O-])NC1(c2cccc(Br)c2)COC1 ZINC001254538644 1040310066 /nfs/dbraw/zinc/31/00/66/1040310066.db2.gz XXPKCNFHDISRJK-ZDUSSCGKSA-N 0 1 391.265 3.804 20 5 GHBDMN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CC[C@H](C)N(C(=O)OC(C)(C)C)CC1 ZINC001254552296 1040320453 /nfs/dbraw/zinc/32/04/53/1040320453.db2.gz KCGKYNPRDZSLCH-HOTGVXAUSA-N 0 1 377.485 3.857 20 5 GHBDMN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001254552440 1040321188 /nfs/dbraw/zinc/32/11/88/1040321188.db2.gz LRGSCERHONBIEH-BFYDXBDKSA-N 0 1 377.485 3.761 20 5 GHBDMN C[C@@](O)(CNCc1cc(Br)c([N+](=O)[O-])s1)c1cccc(F)c1 ZINC001462605956 1070409325 /nfs/dbraw/zinc/40/93/25/1070409325.db2.gz OIUUEWVQABJOQO-CQSZACIVSA-N 0 1 389.246 3.555 20 5 GHBDMN CCc1c(NC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)[nH]nc1-c1ccncc1 ZINC001292820941 1043896475 /nfs/dbraw/zinc/89/64/75/1043896475.db2.gz XOQJQEREFIRBPU-DLBZAZTESA-N 0 1 377.404 3.685 20 5 GHBDMN Cc1ccc2nc([C@H]3CCCN3C(=O)c3cc(Cl)c(N)c([N+](=O)[O-])c3)[nH]c2c1 ZINC001293031890 1043993673 /nfs/dbraw/zinc/99/36/73/1043993673.db2.gz JKRRRRPGLYSSDD-OAHLLOKOSA-N 0 1 399.838 3.992 20 5 GHBDMN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccc(Cl)cc2)N(C)C)c1C ZINC001294243924 1044546129 /nfs/dbraw/zinc/54/61/29/1044546129.db2.gz SKUJQKHXYJHHNJ-KRWDZBQOSA-N 0 1 375.856 3.898 20 5 GHBDMN O=C(NCCCOc1ccc2ccccc2c1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001294942805 1044845750 /nfs/dbraw/zinc/84/57/50/1044845750.db2.gz KNLFBJQFGJKQQX-UHFFFAOYSA-N 0 1 390.399 3.823 20 5 GHBDMN COc1ccc2nc([C@@H](C)NC(=O)c3cccc(SC)c3[N+](=O)[O-])[nH]c2c1 ZINC001296766342 1045368706 /nfs/dbraw/zinc/36/87/06/1045368706.db2.gz BUULKCYCFFIFGF-SNVBAGLBSA-N 0 1 386.433 3.693 20 5 GHBDMN C[C@H](c1nc2ccc(Cl)cc2[nH]1)N(C)C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC001298250248 1045751805 /nfs/dbraw/zinc/75/18/05/1045751805.db2.gz XGIVDBUKQFCZTE-MRVPVSSYSA-N 0 1 391.790 3.679 20 5 GHBDMN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1ccc(N2CCN(C)CC2)c(C)c1 ZINC001261387936 1045989779 /nfs/dbraw/zinc/98/97/79/1045989779.db2.gz RLOBDVKHIFYQST-UHFFFAOYSA-N 0 1 382.464 3.524 20 5 GHBDMN CN1CCN(c2ccc([N+](=O)[O-])c(NC(=O)c3ccc(C(C)(C)C)cc3)c2)CC1 ZINC001463052429 1070759092 /nfs/dbraw/zinc/75/90/92/1070759092.db2.gz LVQWPDXUEZVRPT-UHFFFAOYSA-N 0 1 396.491 3.896 20 5 GHBDMN CN1CCN(c2ccc([N+](=O)[O-])c(NC(=O)/C=C/C3CCCCCC3)c2)CC1 ZINC001463057002 1070761863 /nfs/dbraw/zinc/76/18/63/1070761863.db2.gz NVKCEHQXQSQEIK-DHZHZOJOSA-N 0 1 386.496 3.812 20 5 GHBDMN COC(C)(C)c1nsc(NC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])n1 ZINC001287632296 1048858183 /nfs/dbraw/zinc/85/81/83/1048858183.db2.gz BQECVXOZJMJZBU-UHFFFAOYSA-N 0 1 399.432 3.642 20 5 GHBDMN CCN(CC(=O)OC(C)(C)C)C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000752930068 1049359729 /nfs/dbraw/zinc/35/97/29/1049359729.db2.gz VOWSFHPAHPEPSQ-UHFFFAOYSA-N 0 1 399.438 3.505 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1[C@H](C)C[C@@H](c2ccccc2)[C@@H]1C ZINC001307804109 1049602680 /nfs/dbraw/zinc/60/26/80/1049602680.db2.gz ZDLYGVJDVRSVQA-RVKKMQEKSA-N 0 1 383.448 3.808 20 5 GHBDMN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[N@@H+](C2CCCC2)[C@H](C)C1 ZINC001308079577 1049825041 /nfs/dbraw/zinc/82/50/41/1049825041.db2.gz MKBZOOBBYLYHKM-ZIAGYGMSSA-N 0 1 394.903 3.524 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2nc(CNC[C@@H](O)Cc3ccc(F)cc3)cs2)c1 ZINC001308523623 1049998412 /nfs/dbraw/zinc/99/84/12/1049998412.db2.gz PLQGPMOMNBDDLH-SFHVURJKSA-N 0 1 387.436 3.551 20 5 GHBDMN Cn1cc(C2C[C@H]3CC[C@@H](C2)N3Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)cn1 ZINC001331049312 1051178117 /nfs/dbraw/zinc/17/81/17/1051178117.db2.gz RLEHSCWWLLMYMJ-QNBRMCRTSA-N 0 1 392.463 3.560 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N2CCC(Nc3ccccc3Cl)CC2)c1[N+](=O)[O-] ZINC001334125559 1051908258 /nfs/dbraw/zinc/90/82/58/1051908258.db2.gz NIILCPNMINVSAR-UHFFFAOYSA-N 0 1 391.859 3.811 20 5 GHBDMN C[C@H](NC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC001335694077 1052151579 /nfs/dbraw/zinc/15/15/79/1052151579.db2.gz ADDCHBXNZBFHRW-MJXNMMHHSA-N 0 1 386.427 3.540 20 5 GHBDMN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc2nc(CN3CCCCC3)[nH]c2c1 ZINC001322405132 1056680878 /nfs/dbraw/zinc/68/08/78/1056680878.db2.gz VMKVDMOYAORBAW-UHFFFAOYSA-N 0 1 393.447 3.638 20 5 GHBDMN C[C@H](N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(Cl)c(F)c1 ZINC001323428342 1056969114 /nfs/dbraw/zinc/96/91/14/1056969114.db2.gz OAKWHRICPFVFPA-APPDUMDISA-N 0 1 377.803 3.843 20 5 GHBDMN Cc1ccc(CN2CCCN(C(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)CC2)cc1 ZINC001325315733 1057311427 /nfs/dbraw/zinc/31/14/27/1057311427.db2.gz FZPFHUPLUNBCRN-QGZVFWFLSA-N 0 1 399.466 3.880 20 5 GHBDMN CC(=O)c1ccc(O)c(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC001447029144 1059921240 /nfs/dbraw/zinc/92/12/40/1059921240.db2.gz ZFJUAEUFIAVHTA-SNVBAGLBSA-N 0 1 378.768 3.562 20 5 GHBDMN O=C(NCc1nc2ccc(Cl)cc2[nH]1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001450905271 1060715092 /nfs/dbraw/zinc/71/50/92/1060715092.db2.gz WSEWLSKSCFDQTH-UHFFFAOYSA-N 0 1 384.823 3.863 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C)c1ccc(Cl)c(F)c1 ZINC001341745491 1060857190 /nfs/dbraw/zinc/85/71/90/1060857190.db2.gz GHKRCOPDGYOUJR-JTQLQIEISA-N 0 1 381.791 3.685 20 5 GHBDMN COc1ccc([C@@H](NC(C)C)C(=O)Nc2nccc3c2cccc3[N+](=O)[O-])cc1 ZINC001457892502 1063423845 /nfs/dbraw/zinc/42/38/45/1063423845.db2.gz CDJDQXGWJXVVCI-LJQANCHMSA-N 0 1 394.431 3.829 20 5 GHBDMN CN(CCN1CCN(Cc2ccccc2)CC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001458374454 1063769895 /nfs/dbraw/zinc/76/98/95/1063769895.db2.gz ZUOCZVCHRUAPHT-UHFFFAOYSA-N 0 1 388.899 3.502 20 5 GHBDMN O=[N+]([O-])c1ccc2ncc([N+](=O)[O-])c(NCc3nc4ccc(Cl)cc4[nH]3)c2c1 ZINC001458426533 1063798047 /nfs/dbraw/zinc/79/80/47/1063798047.db2.gz IXSFRJAARNYXTJ-UHFFFAOYSA-N 0 1 398.766 3.615 20 5 GHBDMN O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CCN(CC2CCCCC2)CC1 ZINC001351737666 1064581381 /nfs/dbraw/zinc/58/13/81/1064581381.db2.gz FSHSBXKQXPPAQT-UHFFFAOYSA-N 0 1 399.413 3.952 20 5 GHBDMN CC[C@H]1CN(C)CCN1C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC001465625671 1065754631 /nfs/dbraw/zinc/75/46/31/1065754631.db2.gz QYEMMZCYMFCHIJ-INIZCTEOSA-N 0 1 384.436 3.945 20 5 GHBDMN O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001546162330 1067271523 /nfs/dbraw/zinc/27/15/23/1067271523.db2.gz FMPPBKIHHAXCHQ-CQSZACIVSA-N 0 1 389.839 3.805 20 5 GHBDMN O=C(Nc1cccc(CN2CCSCC2)c1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001358095592 1067396414 /nfs/dbraw/zinc/39/64/14/1067396414.db2.gz NZKSCZAKIKOTSG-PMACEKPBSA-N 0 1 397.500 3.886 20 5 GHBDMN COc1cc(CN[C@H]2CCN(C(=O)OC(C)(C)C)C2(C)C)c([N+](=O)[O-])cc1F ZINC001460239891 1068878435 /nfs/dbraw/zinc/87/84/35/1068878435.db2.gz LMHDSYKUTDQOSQ-INIZCTEOSA-N 0 1 397.447 3.620 20 5 GHBDMN O=[N+]([O-])c1cnn(CCN2CCCC[C@H]2Cc2cccc(Br)c2)c1 ZINC001460288393 1068908189 /nfs/dbraw/zinc/90/81/89/1068908189.db2.gz YWMARNSDDWQRRL-INIZCTEOSA-N 0 1 393.285 3.651 20 5 GHBDMN COc1ccc(CN2CCC[C@](O)(c3ccc(Cl)cc3)C2)cc1[N+](=O)[O-] ZINC001460332934 1068929332 /nfs/dbraw/zinc/92/93/32/1068929332.db2.gz CJGCZOWIBPWCRL-LJQANCHMSA-N 0 1 376.840 3.740 20 5 GHBDMN C[C@@](CO)(NCc1ccc(OCc2ccncc2)cc1)c1cccc([N+](=O)[O-])c1 ZINC001460617297 1069035081 /nfs/dbraw/zinc/03/50/81/1069035081.db2.gz CNFLNNAVBVYBFB-QFIPXVFZSA-N 0 1 393.443 3.566 20 5 GHBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCc2ccc(Br)c(F)c2C1 ZINC001460796652 1069185097 /nfs/dbraw/zinc/18/50/97/1069185097.db2.gz VBZJSRKCLHVANF-UHFFFAOYSA-N 0 1 381.201 3.760 20 5 GHBDMN COC(=O)c1c(C)c(C)ccc1NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001471700290 1073186502 /nfs/dbraw/zinc/18/65/02/1073186502.db2.gz PJCCPJDHXGSESF-UHFFFAOYSA-N 0 1 394.387 3.641 20 5 GHBDMN O=C(Nc1n[nH]c2nc(C(F)(F)F)ccc12)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001472384380 1073459160 /nfs/dbraw/zinc/45/91/60/1073459160.db2.gz VSUWFNZAEBLRCN-UHFFFAOYSA-N 0 1 391.265 3.883 20 5 GHBDMN CC1(C)CN(C2(CNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CCCCC2)CCO1 ZINC001472691595 1073622151 /nfs/dbraw/zinc/62/21/51/1073622151.db2.gz SMLTYRZYALUHJX-UHFFFAOYSA-N 0 1 392.456 3.729 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1CN1CC[C@H](C)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001473526457 1074002159 /nfs/dbraw/zinc/00/21/59/1074002159.db2.gz GIHVIYZPVNYDDS-GOEBONIOSA-N 0 1 393.484 3.586 20 5 GHBDMN CCOc1ccc(NC(=O)CN2CC[C@@H](C3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC001473620964 1074051940 /nfs/dbraw/zinc/05/19/40/1074051940.db2.gz DDIHGGGHDRTURW-MRXNPFEDSA-N 0 1 375.469 3.834 20 5 GHBDMN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](c2c[nH]c3ncccc23)C1 ZINC001473720692 1074106421 /nfs/dbraw/zinc/10/64/21/1074106421.db2.gz AJFUBPJFRRZBLZ-LSDHHAIUSA-N 0 1 393.447 3.678 20 5 GHBDMN CC(C)c1cc([C@@H]2CCCN([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)[nH]n1 ZINC001473773641 1074135779 /nfs/dbraw/zinc/13/57/79/1074135779.db2.gz XEGUVPITEKVYEV-LSDHHAIUSA-N 0 1 385.468 3.648 20 5 GHBDMN COc1ccc(NC(=O)[C@H](C)N[C@@H](C)COCC2CCCCC2)c([N+](=O)[O-])c1 ZINC001473815611 1074157658 /nfs/dbraw/zinc/15/76/58/1074157658.db2.gz JUQWMUKBKHKEBN-GJZGRUSLSA-N 0 1 393.484 3.505 20 5 GHBDMN O=[N+]([O-])c1ccc(CN2CCC[C@@H](C3CCOCC3)C2)c(Br)c1 ZINC001473820751 1074160126 /nfs/dbraw/zinc/16/01/26/1074160126.db2.gz FQNBVOYNBISPIT-CQSZACIVSA-N 0 1 383.286 3.996 20 5 GHBDMN O=[N+]([O-])c1cccc(Br)c1CNCC1([C@@H](O)c2ccccc2)CC1 ZINC001474080734 1074257794 /nfs/dbraw/zinc/25/77/94/1074257794.db2.gz GJCJCJIXIZPYSL-KRWDZBQOSA-N 0 1 391.265 3.961 20 5 GHBDMN C[C@H](CNCc1nnn(-c2ccccc2)c1C1CC1)c1ccccc1[N+](=O)[O-] ZINC001474727608 1074536000 /nfs/dbraw/zinc/53/60/00/1074536000.db2.gz HWMSJUALTLKMNT-OAHLLOKOSA-N 0 1 377.448 3.946 20 5 GHBDMN Cc1nc(CN2CCCC23CCN(c2nccc(C)c2[N+](=O)[O-])CC3)cs1 ZINC001164692408 719806008 /nfs/dbraw/zinc/80/60/08/719806008.db2.gz OAWHOZNVIXGGBT-UHFFFAOYSA-N 0 1 387.509 3.698 20 5 GHBDMN C[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccccc1C(F)(F)F ZINC000510285923 837737704 /nfs/dbraw/zinc/73/77/04/837737704.db2.gz FYMLZLIWJGRGQJ-SECBINFHSA-N 0 1 378.310 3.981 20 5 GHBDMN Cc1cc(NC[C@@H](C)[N@H+]2CCc3sccc3C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000581946155 837751957 /nfs/dbraw/zinc/75/19/57/837751957.db2.gz BGPRKVUVQQNFFL-GFCCVEGCSA-N 0 1 375.450 3.522 20 5 GHBDMN CC(C)Oc1cc(C(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000412214665 837816760 /nfs/dbraw/zinc/81/67/60/837816760.db2.gz GODKOLQAZSXTHL-PXNSSMCTSA-N 0 1 383.448 3.557 20 5 GHBDMN CC(C)CCSc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000610187817 834883920 /nfs/dbraw/zinc/88/39/20/834883920.db2.gz LPCLONHPUJPMBZ-INIZCTEOSA-N 0 1 379.526 3.899 20 5 GHBDMN COc1ccc(CNC(=O)C2CCN([C@H](C)c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000472349172 835312962 /nfs/dbraw/zinc/31/29/62/835312962.db2.gz LFFQGKIJYLJTRZ-MRXNPFEDSA-N 0 1 397.475 3.693 20 5 GHBDMN O=C1C[C@@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)[C@H]2CCCCN12 ZINC000509404748 835564408 /nfs/dbraw/zinc/56/44/08/835564408.db2.gz RBLXBIRUWKCSBD-IAGOWNOFSA-N 0 1 389.839 3.751 20 5 GHBDMN CCOc1ccc([C@@H](C)N[C@@H]2CCCN(Cc3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000179495977 835742507 /nfs/dbraw/zinc/74/25/07/835742507.db2.gz CJBSAYJAKJSGHD-VQIMIIECSA-N 0 1 397.475 3.835 20 5 GHBDMN COc1cc(C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)c([N+](=O)[O-])cc1OC ZINC000179836077 836016716 /nfs/dbraw/zinc/01/67/16/836016716.db2.gz ZRNJEHYWHDAMLK-UHFFFAOYSA-N 0 1 392.318 3.678 20 5 GHBDMN C[C@@H](C(=O)NCc1nc2ccc(Cl)cc2[nH]1)c1ccc([N+](=O)[O-])cc1F ZINC000612544481 836374818 /nfs/dbraw/zinc/37/48/18/836374818.db2.gz JXFJFICGHMLJCK-SECBINFHSA-N 0 1 376.775 3.684 20 5 GHBDMN Cc1ccc([C@@H](CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)N2CCCC2)o1 ZINC000411871939 836404529 /nfs/dbraw/zinc/40/45/29/836404529.db2.gz IMXXVBUVNGHSIT-IPMKNSEASA-N 0 1 383.448 3.553 20 5 GHBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCCC[C@H]1c1nnc(CC(F)(F)F)o1 ZINC000549719073 844162460 /nfs/dbraw/zinc/16/24/60/844162460.db2.gz NYZCQQNEEQUERK-ZDUSSCGKSA-N 0 1 386.330 3.515 20 5 GHBDMN Cc1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2ccc(-c3c[nH]cn3)cc2)cc1[N+](=O)[O-] ZINC000472576574 836928586 /nfs/dbraw/zinc/92/85/86/836928586.db2.gz GLNIXZGBGRMHJA-CABCVRRESA-N 0 1 393.447 3.971 20 5 GHBDMN CC(C)C[C@H](NS(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000610265064 836958781 /nfs/dbraw/zinc/95/87/81/836958781.db2.gz APUJVXFIAFTFQG-AWEZNQCLSA-N 0 1 383.857 3.709 20 5 GHBDMN COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(C)[nH]nc2c1 ZINC000180321422 837085685 /nfs/dbraw/zinc/08/56/85/837085685.db2.gz WRSCXAURYMCFLF-UHFFFAOYSA-N 0 1 386.433 3.770 20 5 GHBDMN CCN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000549770654 844247232 /nfs/dbraw/zinc/24/72/32/844247232.db2.gz VFPBJEZTSFZRRG-UHFFFAOYSA-N 0 1 397.353 3.780 20 5 GHBDMN COc1cc(NC(=O)CN[C@@H](C)c2cccc([N+](=O)[O-])c2)c(OC)cc1Cl ZINC000180417711 837225139 /nfs/dbraw/zinc/22/51/39/837225139.db2.gz WLTBYQZZSJZDTR-NSHDSACASA-N 0 1 393.827 3.555 20 5 GHBDMN COc1cc(CN2CCC[C@@H]2C[C@H](O)c2cccs2)c([N+](=O)[O-])cc1OC ZINC000180505756 837311146 /nfs/dbraw/zinc/31/11/46/837311146.db2.gz FQYCZXAGLPJHMP-ZBFHGGJFSA-N 0 1 392.477 3.762 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(C)CC1(c2ccccc2)CC1 ZINC000189323028 838253245 /nfs/dbraw/zinc/25/32/45/838253245.db2.gz VHVKYKQXCJILND-OAHLLOKOSA-N 0 1 383.448 3.594 20 5 GHBDMN CCn1ccnc1[C@H]1OCC[C@@H]1NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000275687152 838419451 /nfs/dbraw/zinc/41/94/51/838419451.db2.gz WTRNZDFPMXUYCF-HKUYNNGSSA-N 0 1 382.420 3.691 20 5 GHBDMN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1nc(-c2ccccc2Cl)n[nH]1 ZINC000135010637 838495428 /nfs/dbraw/zinc/49/54/28/838495428.db2.gz FWXPGLTWIPDOJN-UHFFFAOYSA-N 0 1 396.794 3.696 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N2CCCC[C@H]2CCC(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC000416255801 838813156 /nfs/dbraw/zinc/81/31/56/838813156.db2.gz XRXQHEWQRNEAJD-ZDUSSCGKSA-N 0 1 394.472 3.558 20 5 GHBDMN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(Cl)cc1-n1cccn1 ZINC000471586511 839708299 /nfs/dbraw/zinc/70/82/99/839708299.db2.gz CXFNWSZOQYDHTO-UHFFFAOYSA-N 0 1 392.824 3.543 20 5 GHBDMN CCc1ccc(C(=O)N2CCN(Cc3ccccc3)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000610445668 839744729 /nfs/dbraw/zinc/74/47/29/839744729.db2.gz BYXKIAXEDFIKKV-QGZVFWFLSA-N 0 1 381.476 3.894 20 5 GHBDMN Cc1ccc(NC(=O)c2ccc(N3CCN(C4CCC4)CC3)c([N+](=O)[O-])c2)cc1 ZINC000500398030 840369133 /nfs/dbraw/zinc/36/91/33/840369133.db2.gz XUEKIZIXHGAQFI-UHFFFAOYSA-N 0 1 394.475 3.830 20 5 GHBDMN CCc1[nH]nc(C(=O)N2CC(Cc3ccccc3)(c3ccccc3)C2)c1[N+](=O)[O-] ZINC000412465492 840541101 /nfs/dbraw/zinc/54/11/01/840541101.db2.gz QIRXBJMLEGWQNE-UHFFFAOYSA-N 0 1 390.443 3.517 20 5 GHBDMN CC[C@@H](N[C@@H](CC)CS(=O)(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000181662736 840642919 /nfs/dbraw/zinc/64/29/19/840642919.db2.gz GOWZPPOPBNGGEJ-QFBILLFUSA-N 0 1 376.478 3.888 20 5 GHBDMN Cc1ccc([C@@H](C)NCCS(=O)(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000177969008 841034579 /nfs/dbraw/zinc/03/45/79/841034579.db2.gz VCLGTLZCVCOMDU-CYBMUJFWSA-N 0 1 382.869 3.681 20 5 GHBDMN COc1ccc([C@@H](C)N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)c(C)c1OC ZINC000581361659 841159652 /nfs/dbraw/zinc/15/96/52/841159652.db2.gz MRDWPTDDHQVVMG-ZIAGYGMSSA-N 0 1 387.436 3.598 20 5 GHBDMN CC[C@@H](N[C@H](Cc1ccccc1)C(=O)N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000131109579 861203420 /nfs/dbraw/zinc/20/34/20/861203420.db2.gz DRXOUEWBDHFRGA-NHCUHLMSSA-N 0 1 381.476 3.869 20 5 GHBDMN Cc1cc(N2CCC(NC(=O)c3ccsc3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302146980 861217691 /nfs/dbraw/zinc/21/76/91/861217691.db2.gz GVOYVISQGPILQA-UHFFFAOYSA-N 0 1 396.472 3.912 20 5 GHBDMN COc1cc(CN2CCC[C@@H](c3nc(C(F)(F)F)cn3C)C2)ccc1[N+](=O)[O-] ZINC000489800283 861248368 /nfs/dbraw/zinc/24/83/68/861248368.db2.gz BFANNGLITFUIDC-CYBMUJFWSA-N 0 1 398.385 3.735 20 5 GHBDMN C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNc2nccc(C(=O)[O-])c2[N+](=O)[O-])C1 ZINC000569121804 842022897 /nfs/dbraw/zinc/02/28/97/842022897.db2.gz CNDWTXXHHMIOAY-GASCZTMLSA-N 0 1 398.463 3.778 20 5 GHBDMN Cc1c(CN2CCSCC2)cccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000061308710 861279050 /nfs/dbraw/zinc/27/90/50/861279050.db2.gz XTJOOGIMYXEPOQ-UHFFFAOYSA-N 0 1 385.489 3.633 20 5 GHBDMN CO[C@H](c1ccccc1Cl)[C@H](C)NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000481407767 861298639 /nfs/dbraw/zinc/29/86/39/861298639.db2.gz LXSSNKJRTXGCRC-SGTLLEGYSA-N 0 1 392.839 3.981 20 5 GHBDMN O=[N+]([O-])c1cccc(F)c1CN[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000136694081 842450013 /nfs/dbraw/zinc/45/00/13/842450013.db2.gz AHRJGIVXRXCLEY-HNNXBMFYSA-N 0 1 395.316 3.750 20 5 GHBDMN O=[N+]([O-])c1cc(CN[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)c2c(c1)COCO2 ZINC000182115431 842891745 /nfs/dbraw/zinc/89/17/45/842891745.db2.gz RCXGEONDCGMVHW-MJGOQNOKSA-N 0 1 390.823 3.735 20 5 GHBDMN Cc1cc(N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000567980759 842915192 /nfs/dbraw/zinc/91/51/92/842915192.db2.gz LVCDSAZKHXYMOA-HOTGVXAUSA-N 0 1 375.469 3.692 20 5 GHBDMN O=C1C[C@@H](c2ccccc2)N(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCN1 ZINC000510540303 842927776 /nfs/dbraw/zinc/92/77/76/842927776.db2.gz VANYWLRVNAQWKV-FQEVSTJZSA-N 0 1 391.427 3.918 20 5 GHBDMN C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000432587058 843224688 /nfs/dbraw/zinc/22/46/88/843224688.db2.gz HUSUSADGKLDFDC-KBPBESRZSA-N 0 1 397.431 3.671 20 5 GHBDMN Cc1nn(C)c(C(=O)Nc2ccc3nc(-c4cccc(F)c4)[nH]c3c2)c1[N+](=O)[O-] ZINC000098105169 843577689 /nfs/dbraw/zinc/57/76/89/843577689.db2.gz UTIBTFRCJNYPJL-UHFFFAOYSA-N 0 1 394.366 3.571 20 5 GHBDMN COc1cc(C)c([C@@H](C)N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000056154168 861437196 /nfs/dbraw/zinc/43/71/96/861437196.db2.gz UOWSWQYBHNLAPU-ZIAGYGMSSA-N 0 1 387.436 3.598 20 5 GHBDMN CCOc1cc(CN[C@H](C)c2cc(OC)c(OC)c(OC)c2)ccc1[N+](=O)[O-] ZINC000276920613 843749075 /nfs/dbraw/zinc/74/90/75/843749075.db2.gz PBMVLYOKHUWROW-CYBMUJFWSA-N 0 1 390.436 3.870 20 5 GHBDMN CC(C)Oc1ccc(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c(F)c1 ZINC000052025366 843912278 /nfs/dbraw/zinc/91/22/78/843912278.db2.gz LTGSSEVQJRJZAT-UHFFFAOYSA-N 0 1 388.804 3.975 20 5 GHBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000129338081 845278680 /nfs/dbraw/zinc/27/86/80/845278680.db2.gz HRPCJWNHQKDFQK-MRXNPFEDSA-N 0 1 379.460 3.957 20 5 GHBDMN CO[C@H](C)CCN[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000419249529 845496572 /nfs/dbraw/zinc/49/65/72/845496572.db2.gz PIJPSWXUCZVKAB-FZKQIMNGSA-N 0 1 391.855 3.943 20 5 GHBDMN COc1ccccc1CCN(C)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000513496574 845534115 /nfs/dbraw/zinc/53/41/15/845534115.db2.gz HFKBTNLMRVUDKZ-UHFFFAOYSA-N 0 1 396.390 3.888 20 5 GHBDMN CC1(C)C[C@@H](N[C@H](CN2CCOCC2)c2ccccc2)c2cc([N+](=O)[O-])ccc21 ZINC000433168173 845581480 /nfs/dbraw/zinc/58/14/80/845581480.db2.gz LPHLERAPZIINEF-FGZHOGPDSA-N 0 1 395.503 3.980 20 5 GHBDMN Cn1ccnc1[C@@H](NC[C@@H]1CCO[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000277364407 845841998 /nfs/dbraw/zinc/84/19/98/845841998.db2.gz FJAUMJLNMOMFCM-JBACZVJFSA-N 0 1 392.459 3.785 20 5 GHBDMN COc1ccccc1[C@H]1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000157805367 846208040 /nfs/dbraw/zinc/20/80/40/846208040.db2.gz AAKYMFIXTDQWCE-HNNXBMFYSA-N 0 1 380.404 3.643 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C)c1oc2ccccc2c1C ZINC000183563618 846247002 /nfs/dbraw/zinc/24/70/02/846247002.db2.gz AOMNNCVXOUBLSF-ZDUSSCGKSA-N 0 1 383.404 3.947 20 5 GHBDMN O=C([O-])[C@@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1C(F)(F)F ZINC000263501112 846256553 /nfs/dbraw/zinc/25/65/53/846256553.db2.gz KUKQYNOHRXKDEQ-ZIAGYGMSSA-N 0 1 384.310 3.550 20 5 GHBDMN O=[N+]([O-])c1ccc(N2CCN(CCCOc3ccc4ccccc4c3)CC2)cn1 ZINC000551369403 846344893 /nfs/dbraw/zinc/34/48/93/846344893.db2.gz IEVOGXMUCQENPM-UHFFFAOYSA-N 0 1 392.459 3.734 20 5 GHBDMN CCN(C)Cc1cc(O[C@H]2CCN(c3cc(C)c([N+](=O)[O-])cc3F)C2)ccn1 ZINC000856533252 881341411 /nfs/dbraw/zinc/34/14/11/881341411.db2.gz QRMVHWQFHNCWJU-KRWDZBQOSA-N 0 1 388.443 3.547 20 5 GHBDMN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1CCC[C@@H](CC(F)(F)F)C1 ZINC000421976871 846715757 /nfs/dbraw/zinc/71/57/57/846715757.db2.gz XUMMBSGOWMGVFW-NSHDSACASA-N 0 1 382.342 3.790 20 5 GHBDMN C[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(-c2c[nH]cn2)cc1 ZINC000503161681 846859902 /nfs/dbraw/zinc/85/99/02/846859902.db2.gz NSZDVVJULBBXCD-KBPBESRZSA-N 0 1 379.420 3.663 20 5 GHBDMN Cc1c(NS(=O)(=O)c2ccc(Br)c(F)c2)cccc1[N+](=O)[O-] ZINC000135678869 848337093 /nfs/dbraw/zinc/33/70/93/848337093.db2.gz LVUUODNOHSAVFT-UHFFFAOYSA-N 0 1 389.202 3.606 20 5 GHBDMN COc1ccc2c(c1)CC[C@@H](N[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)C2 ZINC000612402162 848591366 /nfs/dbraw/zinc/59/13/66/848591366.db2.gz QFYGIMPKMOFLLA-WIYYLYMNSA-N 0 1 392.459 3.573 20 5 GHBDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)n[nH]1 ZINC000277962696 848656318 /nfs/dbraw/zinc/65/63/18/848656318.db2.gz ULIJOXVBIHCIDG-GHMZBOCLSA-N 0 1 377.420 3.521 20 5 GHBDMN CCN1C[C@@H](C)N(C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)C[C@H]1C ZINC000435327594 850360222 /nfs/dbraw/zinc/36/02/22/850360222.db2.gz HXVBKCGLZLLWEH-GHMZBOCLSA-N 0 1 399.289 3.612 20 5 GHBDMN Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000132574303 862169390 /nfs/dbraw/zinc/16/93/90/862169390.db2.gz GBVWOQMRZFZDCW-OAHLLOKOSA-N 0 1 398.488 3.881 20 5 GHBDMN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCN(c3ccc(O)cc3)CC2)o1 ZINC000505302764 850805387 /nfs/dbraw/zinc/80/53/87/850805387.db2.gz YWKKZBKXUBGUQV-UHFFFAOYSA-N 0 1 379.416 3.883 20 5 GHBDMN O=[N+]([O-])c1ccc([C@@H]2CCCN(c3nc(C(F)(F)F)nc4[nH]cnc43)C2)cc1 ZINC000515341280 850923362 /nfs/dbraw/zinc/92/33/62/850923362.db2.gz KWNPABHGZVQEMA-LLVKDONJSA-N 0 1 392.341 3.664 20 5 GHBDMN C[C@@H](CNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12)N1CCCC[C@@H]1C ZINC000436095232 851212876 /nfs/dbraw/zinc/21/28/76/851212876.db2.gz AMKQLJWQPUWHJM-GJZGRUSLSA-N 0 1 395.478 3.813 20 5 GHBDMN C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436132380 851241432 /nfs/dbraw/zinc/24/14/32/851241432.db2.gz ASLCXTFYLRKHRF-CABCVRRESA-N 0 1 395.478 3.671 20 5 GHBDMN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)c1 ZINC000766043180 862223232 /nfs/dbraw/zinc/22/32/32/862223232.db2.gz POZVRGJVBNOXPG-UHFFFAOYSA-N 0 1 379.394 3.537 20 5 GHBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCC[C@@H]1c1ccc(Br)cn1 ZINC000550080102 851427736 /nfs/dbraw/zinc/42/77/36/851427736.db2.gz QWVIYRNLYOAFOZ-MRXNPFEDSA-N 0 1 378.226 3.795 20 5 GHBDMN CN(C)[C@H](CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000488386409 851450696 /nfs/dbraw/zinc/45/06/96/851450696.db2.gz OCFKALJJEWCVHP-GOSISDBHSA-N 0 1 388.443 3.571 20 5 GHBDMN CC(C)(Cc1ccccc1Cl)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000488732052 851726869 /nfs/dbraw/zinc/72/68/69/851726869.db2.gz YTCKAEWSXKTNFR-UHFFFAOYSA-N 0 1 386.832 3.687 20 5 GHBDMN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000516006481 852038513 /nfs/dbraw/zinc/03/85/13/852038513.db2.gz NPGWVELYQIIHAB-OAHLLOKOSA-N 0 1 379.526 3.656 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2cnc(CCN3CCOc4ccc(F)cc4C3)o2)c1 ZINC000489164679 852066729 /nfs/dbraw/zinc/06/67/29/852066729.db2.gz XRNSFTJLGWDDRS-UHFFFAOYSA-N 0 1 383.379 3.826 20 5 GHBDMN O=C(c1c(O)cc(Cl)cc1Cl)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000436614167 852115752 /nfs/dbraw/zinc/11/57/52/852115752.db2.gz ZLHGOSWGQAVVMJ-UHFFFAOYSA-N 0 1 383.187 3.642 20 5 GHBDMN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(C(=O)C(C)(C)C)cc1 ZINC000425957815 852119424 /nfs/dbraw/zinc/11/94/24/852119424.db2.gz KJZWOXLUAAHWSX-UHFFFAOYSA-N 0 1 376.434 3.933 20 5 GHBDMN O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436628064 852121155 /nfs/dbraw/zinc/12/11/55/852121155.db2.gz NXCZJKAJTSTQHB-KRWDZBQOSA-N 0 1 389.839 3.521 20 5 GHBDMN O=C(CN1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1)Nc1ccccc1[N+](=O)[O-] ZINC000516116536 852163449 /nfs/dbraw/zinc/16/34/49/852163449.db2.gz MUIRLQJNRXWSSN-QGZVFWFLSA-N 0 1 399.838 3.900 20 5 GHBDMN O=[N+]([O-])c1ccn(C2CCN(Cc3ccc(OC(F)F)c(Cl)c3)CC2)n1 ZINC000425968662 852203811 /nfs/dbraw/zinc/20/38/11/852203811.db2.gz UXYIZWRNPVCQRH-UHFFFAOYSA-N 0 1 386.786 3.883 20 5 GHBDMN O=[N+]([O-])c1ccn(C2CCN(Cc3cnc(-c4ccsc4)s3)CC2)n1 ZINC000425984576 852276278 /nfs/dbraw/zinc/27/62/78/852276278.db2.gz JIDNVNISCWIKEO-UHFFFAOYSA-N 0 1 375.479 3.813 20 5 GHBDMN COc1ccc(C[NH2+][C@@H](C(=O)[O-])c2c(Cl)cccc2Cl)cc1[N+](=O)[O-] ZINC000426763058 852371310 /nfs/dbraw/zinc/37/13/10/852371310.db2.gz PMPRXSYQNJNXCB-OAHLLOKOSA-N 0 1 385.203 3.826 20 5 GHBDMN CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])c1 ZINC000436869606 852434663 /nfs/dbraw/zinc/43/46/63/852434663.db2.gz MXBXEZPAMAOUSA-UHFFFAOYSA-N 0 1 380.404 3.921 20 5 GHBDMN C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436951017 852522987 /nfs/dbraw/zinc/52/29/87/852522987.db2.gz QTTKRXCVWYBJFV-OAHLLOKOSA-N 0 1 383.448 3.605 20 5 GHBDMN CC[C@@H](Cc1ccccc1Br)N(C)Cc1c([N+](=O)[O-])ncn1C ZINC000481842862 862382402 /nfs/dbraw/zinc/38/24/02/862382402.db2.gz QIOXFDGMLMCCHP-ZDUSSCGKSA-N 0 1 381.274 3.544 20 5 GHBDMN COc1cc(CN2CCC(C(=O)Nc3ccc(F)cc3)CC2)ccc1[N+](=O)[O-] ZINC000489990922 852710419 /nfs/dbraw/zinc/71/04/19/852710419.db2.gz SCQMHLSWFQOAQX-UHFFFAOYSA-N 0 1 387.411 3.593 20 5 GHBDMN COc1ccccc1[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000506330506 852751253 /nfs/dbraw/zinc/75/12/53/852751253.db2.gz KGBRPYUSSWHVFN-FQEVSTJZSA-N 0 1 378.384 3.828 20 5 GHBDMN O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000507314624 852774131 /nfs/dbraw/zinc/77/41/31/852774131.db2.gz OXSXSEGHGPBRIB-UHFFFAOYSA-N 0 1 376.781 3.725 20 5 GHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000507318818 852787676 /nfs/dbraw/zinc/78/76/76/852787676.db2.gz ZQVLNTRRJZGZQE-KRWDZBQOSA-N 0 1 394.387 3.718 20 5 GHBDMN Cc1cc(F)cc(C(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000151050755 852998877 /nfs/dbraw/zinc/99/88/77/852998877.db2.gz CBEHRHMBECEKOA-MRXNPFEDSA-N 0 1 385.439 3.779 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000427373179 853017164 /nfs/dbraw/zinc/01/71/64/853017164.db2.gz VRMSPDIAWPHMCT-UHFFFAOYSA-N 0 1 380.282 3.751 20 5 GHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(C3SCCS3)c2)cc1 ZINC000017319990 853130221 /nfs/dbraw/zinc/13/02/21/853130221.db2.gz YMVOGIPSJFYUOY-UHFFFAOYSA-N 0 1 382.488 3.874 20 5 GHBDMN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc3nc(C(F)F)sc3c2)c1 ZINC000507636197 853132264 /nfs/dbraw/zinc/13/22/64/853132264.db2.gz MKICCCWJKRXFPS-UHFFFAOYSA-N 0 1 385.373 3.943 20 5 GHBDMN COc1cc(CN2CCCC[C@H](SC)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000490613438 853137480 /nfs/dbraw/zinc/13/74/80/853137480.db2.gz JTMWGYIFRTXUDI-ZDUSSCGKSA-N 0 1 390.452 3.965 20 5 GHBDMN C[C@@H]1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000437480267 853184416 /nfs/dbraw/zinc/18/44/16/853184416.db2.gz XVXKUJPCDPIKHI-QGZVFWFLSA-N 0 1 399.516 3.810 20 5 GHBDMN C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000518403010 853290560 /nfs/dbraw/zinc/29/05/60/853290560.db2.gz ZDFITTIDRHQEMD-FRQCXROJSA-N 0 1 382.464 3.791 20 5 GHBDMN O=[N+]([O-])c1ccc(NCCN2CCN(c3ccc(F)cc3)CC2)c2ccncc21 ZINC000029618944 853297528 /nfs/dbraw/zinc/29/75/28/853297528.db2.gz CVRSRIGYGAPACY-UHFFFAOYSA-N 0 1 395.438 3.516 20 5 GHBDMN CC(C)=CCOc1cccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)c1 ZINC000439191017 853393715 /nfs/dbraw/zinc/39/37/15/853393715.db2.gz XSEHAMWGXMAJAI-UHFFFAOYSA-N 0 1 393.403 3.977 20 5 GHBDMN Cc1oc2ccccc2c1CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000466583628 862526847 /nfs/dbraw/zinc/52/68/47/862526847.db2.gz FHWKHNPORSAQQW-UHFFFAOYSA-N 0 1 380.809 3.781 20 5 GHBDMN Cc1ccc([C@H](CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])N2CCCC2)o1 ZINC000571773804 854151268 /nfs/dbraw/zinc/15/12/68/854151268.db2.gz DBJNKMGMIFGQGG-SFHVURJKSA-N 0 1 385.464 3.727 20 5 GHBDMN COc1ccccc1[C@H](CNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)N1CCCC1 ZINC000571977562 854249088 /nfs/dbraw/zinc/24/90/88/854249088.db2.gz MYTYLISQSHWVPU-UZLBHIALSA-N 0 1 397.475 3.660 20 5 GHBDMN Cc1cc(S(=O)(=O)Nc2ccc(OC3CCC3)c(F)c2)ccc1[N+](=O)[O-] ZINC000481959333 862551767 /nfs/dbraw/zinc/55/17/67/862551767.db2.gz VKZOEVUCAURYDA-UHFFFAOYSA-N 0 1 380.397 3.774 20 5 GHBDMN CN1CC[C@@H](NCc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H]1c1ccc(Cl)cc1 ZINC000589284696 854783647 /nfs/dbraw/zinc/78/36/47/854783647.db2.gz XBVIEBRBTJSWAJ-BEFAXECRSA-N 0 1 386.839 3.924 20 5 GHBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC000535549652 854969845 /nfs/dbraw/zinc/96/98/45/854969845.db2.gz FORYLXFOGRHRTG-MSOLQXFVSA-N 0 1 380.510 3.869 20 5 GHBDMN O=C1Nc2ccccc2[C@]12CCN(Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C2 ZINC000590174928 855323858 /nfs/dbraw/zinc/32/38/58/855323858.db2.gz KCZKQQZJCIUBAW-GOSISDBHSA-N 0 1 391.349 3.709 20 5 GHBDMN COc1ccc2c(c1)CCC[C@@H]2N(C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000554180980 855852683 /nfs/dbraw/zinc/85/26/83/855852683.db2.gz HSWMDDMNBLJTSH-FQEVSTJZSA-N 0 1 383.448 3.860 20 5 GHBDMN Cc1cc(S(=O)(=O)Nc2ccc(NC(=O)CC(C)C)cc2)ccc1[N+](=O)[O-] ZINC000172182289 856364607 /nfs/dbraw/zinc/36/46/07/856364607.db2.gz RZFAIXKZDGDHJD-UHFFFAOYSA-N 0 1 391.449 3.689 20 5 GHBDMN CC(C)C(=O)N1CCCN(Cc2cc(=O)oc3ccc4ccccc4c23)CC1 ZINC000265639894 856429394 /nfs/dbraw/zinc/42/93/94/856429394.db2.gz JJPKUFVGHFPRHW-UHFFFAOYSA-N 0 1 378.472 3.637 20 5 GHBDMN O=C(NCCc1cccc([N+](=O)[O-])c1)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000427662041 856544756 /nfs/dbraw/zinc/54/47/56/856544756.db2.gz HAZZVBCYGSIAGQ-UHFFFAOYSA-N 0 1 376.825 3.672 20 5 GHBDMN COc1ccc(NC(=O)CCNC2(c3ccccc3Cl)CC2)c([N+](=O)[O-])c1 ZINC000592138531 856683448 /nfs/dbraw/zinc/68/34/48/856683448.db2.gz ZDRDMGIJJOOGJY-UHFFFAOYSA-N 0 1 389.839 3.864 20 5 GHBDMN CC[C@H](C)NC(=O)[C@@H](C)NCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000507929384 856705747 /nfs/dbraw/zinc/70/57/47/856705747.db2.gz HTJVJXNDSXNQGS-JKSUJKDBSA-N 0 1 384.480 3.756 20 5 GHBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCC[C@@H]2C[C@H](C)O)cc1OC ZINC000542918263 856810664 /nfs/dbraw/zinc/81/06/64/856810664.db2.gz WCRCBFUFFQTKER-YQQAZPJKSA-N 0 1 380.485 3.764 20 5 GHBDMN C[C@@H](N[C@H](C)c1ccc(NC(=O)C2CC2)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000130898194 856811928 /nfs/dbraw/zinc/81/19/28/856811928.db2.gz XTPWOMJAEBQFEE-ZIAGYGMSSA-N 0 1 396.447 3.621 20 5 GHBDMN CCc1[nH]nc(C(=O)N(Cc2ccc(F)c(Cl)c2)CC(C)C)c1[N+](=O)[O-] ZINC001168010865 856868376 /nfs/dbraw/zinc/86/83/76/856868376.db2.gz XYUZIJQTKGSGHH-UHFFFAOYSA-N 0 1 382.823 3.971 20 5 GHBDMN O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000427937941 856888759 /nfs/dbraw/zinc/88/87/59/856888759.db2.gz MMPCLYCKDOEYCM-UHFFFAOYSA-N 0 1 380.385 3.929 20 5 GHBDMN CC[C@H](C)Oc1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1 ZINC000427952841 856924429 /nfs/dbraw/zinc/92/44/29/856924429.db2.gz VPZDJKGMSANXMM-LBPRGKRZSA-N 0 1 381.392 3.810 20 5 GHBDMN Cc1ccc(NC(=O)NC2CCN([C@H](C)c3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000159600497 862851532 /nfs/dbraw/zinc/85/15/32/862851532.db2.gz OIQAVSKFFPLAQH-OAHLLOKOSA-N 0 1 383.452 3.645 20 5 GHBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC000485801019 857100453 /nfs/dbraw/zinc/10/04/53/857100453.db2.gz NNGMARGQIYYWPV-OAHLLOKOSA-N 0 1 385.439 3.998 20 5 GHBDMN C[C@H]1CN(Cc2ccccc2)CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC001128960640 857100536 /nfs/dbraw/zinc/10/05/36/857100536.db2.gz CAIHYXNEBXUMFV-HNNXBMFYSA-N 0 1 387.867 3.842 20 5 GHBDMN CCOc1ccc([C@@H](C)N[C@H](CC)C(=O)NCc2cccs2)cc1[N+](=O)[O-] ZINC000592397126 857336269 /nfs/dbraw/zinc/33/62/69/857336269.db2.gz RKUCSYNJXZMBAS-CZUORRHYSA-N 0 1 391.493 3.801 20 5 GHBDMN CC[C@H](NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])c1ccccc1F ZINC001212374228 857495989 /nfs/dbraw/zinc/49/59/89/857495989.db2.gz SKIJXYIASCBBRG-ZDUSSCGKSA-N 0 1 390.795 3.956 20 5 GHBDMN COc1cccc([C@H](CNC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)N(C)C)c1 ZINC000058853696 857674550 /nfs/dbraw/zinc/67/45/50/857674550.db2.gz PUCFBHXEAITNPI-KRWDZBQOSA-N 0 1 392.843 3.681 20 5 GHBDMN C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)c2cccc([N+](=O)[O-])c2Cl)C1 ZINC000323699070 857711668 /nfs/dbraw/zinc/71/16/68/857711668.db2.gz FODGVMKMAFNWBN-OAHLLOKOSA-N 0 1 387.867 3.842 20 5 GHBDMN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc3nc(C4CC4)sc3c2)c1 ZINC000442322867 857727161 /nfs/dbraw/zinc/72/71/61/857727161.db2.gz KDAJCHJRJNPBFK-UHFFFAOYSA-N 0 1 375.431 3.883 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2noc(CSc3nc(-c4ccccc4F)n[nH]3)n2)cc1 ZINC000059017310 857970096 /nfs/dbraw/zinc/97/00/96/857970096.db2.gz UPLHEXRAIZLLDF-UHFFFAOYSA-N 0 1 398.379 3.861 20 5 GHBDMN Cc1cc(C(=O)NC2CCN(C/C=C\c3ccccc3[N+](=O)[O-])CC2)c(C)o1 ZINC000255568551 858010784 /nfs/dbraw/zinc/01/07/84/858010784.db2.gz FROBPWOEHPCPFY-ALCCZGGFSA-N 0 1 383.448 3.712 20 5 GHBDMN CCC(C)(C)N1CCN(C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])CC1 ZINC000594388856 858146152 /nfs/dbraw/zinc/14/61/52/858146152.db2.gz BTPRJAYLTNYQLO-UHFFFAOYSA-N 0 1 382.464 3.603 20 5 GHBDMN O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@H](CO)c1ccc(Br)cc1 ZINC000594502234 858194373 /nfs/dbraw/zinc/19/43/73/858194373.db2.gz KQXBLRZRGANUSJ-JKSUJKDBSA-N 0 1 377.238 3.668 20 5 GHBDMN CCc1ccc([C@H](NCc2n[nH]c([C@H]3CCCO3)n2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000594507525 858197972 /nfs/dbraw/zinc/19/79/72/858197972.db2.gz GJMJSBHXJQEBHA-IEBWSBKVSA-N 0 1 397.435 3.599 20 5 GHBDMN O=[N+]([O-])c1ccccc1CN[C@@H]1CCc2ccc(I)cc21 ZINC000595016382 858351289 /nfs/dbraw/zinc/35/12/89/858351289.db2.gz YKSNJOJILAFNQK-OAHLLOKOSA-N 0 1 394.212 3.977 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000595038611 858375589 /nfs/dbraw/zinc/37/55/89/858375589.db2.gz LVXATTJNIMIHKM-ZBFHGGJFSA-N 0 1 384.436 3.560 20 5 GHBDMN C[C@@H](N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(OC(F)F)cc1 ZINC000067452189 858573243 /nfs/dbraw/zinc/57/32/43/858573243.db2.gz XAJUVOITPBTTPT-SJKOYZFVSA-N 0 1 391.374 3.652 20 5 GHBDMN O=[N+]([O-])c1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)c2cccnc21 ZINC000184964550 858758983 /nfs/dbraw/zinc/75/89/83/858758983.db2.gz SDNTYHADBHZGMX-UHFFFAOYSA-N 0 1 397.334 3.963 20 5 GHBDMN COc1ccc(C[C@H](C)NCc2ccn(Cc3ccccc3)n2)c([N+](=O)[O-])c1 ZINC001170319654 881354065 /nfs/dbraw/zinc/35/40/65/881354065.db2.gz XYIQYGBUEAWLEV-INIZCTEOSA-N 0 1 380.448 3.569 20 5 GHBDMN NC(=O)c1cc(N2CCCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000596265494 858846172 /nfs/dbraw/zinc/84/61/72/858846172.db2.gz NCYUZWXAZNLPRQ-QGZVFWFLSA-N 0 1 399.838 3.955 20 5 GHBDMN CCN(CC)[C@H](C(=O)NCc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000466299923 859024977 /nfs/dbraw/zinc/02/49/77/859024977.db2.gz SLZFBOUIDVYXRN-SFHVURJKSA-N 0 1 375.856 3.948 20 5 GHBDMN COc1ccc(C[C@H](C)N2CCC([C@@](C)(O)C(F)(F)F)CC2)c([N+](=O)[O-])c1 ZINC001170353450 881388041 /nfs/dbraw/zinc/38/80/41/881388041.db2.gz YJCHWMAQQHABIN-YVEFUNNKSA-N 0 1 390.402 3.560 20 5 GHBDMN Cc1ccc([C@H](CN2CCOCC2)N[C@@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000532201513 881407729 /nfs/dbraw/zinc/40/77/29/881407729.db2.gz AHSJROUJDDPCDL-AVRDEDQJSA-N 0 1 383.492 3.936 20 5 GHBDMN CCS(=O)(=O)c1cccc(CNCc2ccc(C(C)C)c([N+](=O)[O-])c2)c1 ZINC000466421569 859417082 /nfs/dbraw/zinc/41/70/82/859417082.db2.gz FVBYWMSZKHYTDY-UHFFFAOYSA-N 0 1 376.478 3.802 20 5 GHBDMN CN1CC2(C1)CCN(C(=O)c1ccc(Sc3ccc([N+](=O)[O-])cc3)cc1)C2 ZINC000597572963 859646944 /nfs/dbraw/zinc/64/69/44/859646944.db2.gz UYOKNDVGTSIHDK-UHFFFAOYSA-N 0 1 383.473 3.524 20 5 GHBDMN C[C@H]1CCCN(c2ccc(C(=O)NCc3ccc4nc[nH]c4c3)cc2[N+](=O)[O-])C1 ZINC000597721889 859765125 /nfs/dbraw/zinc/76/51/25/859765125.db2.gz MAEKLVDXQNTEHA-AWEZNQCLSA-N 0 1 393.447 3.637 20 5 GHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000611555500 859804047 /nfs/dbraw/zinc/80/40/47/859804047.db2.gz PYMIHIMBKGXYRD-IUCAKERBSA-N 0 1 386.248 3.503 20 5 GHBDMN COc1ccc(C[C@@H](C)N2CCc3c(cnn3-c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001170347521 881471483 /nfs/dbraw/zinc/47/14/83/881471483.db2.gz RQJTWRSZSFBVOQ-MRXNPFEDSA-N 0 1 392.459 3.778 20 5 GHBDMN COc1cc(CN2CCC[C@@H](OC)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000091772850 859930649 /nfs/dbraw/zinc/93/06/49/859930649.db2.gz MFXGQDMTWVXUTL-LJQANCHMSA-N 0 1 386.448 3.793 20 5 GHBDMN C[N@@H+](Cc1ccc2nc(NC(=O)c3cccc([O-])c3[N+](=O)[O-])sc2c1)C1CC1 ZINC000598026786 860024292 /nfs/dbraw/zinc/02/42/92/860024292.db2.gz DPAQQVOUDLXRCX-UHFFFAOYSA-N 0 1 398.444 3.757 20 5 GHBDMN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CN1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000602464703 860044681 /nfs/dbraw/zinc/04/46/81/860044681.db2.gz MTUBGLJBTYFIMS-CYBMUJFWSA-N 0 1 395.385 3.531 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2nc(CNC[C@@]3(c4ccccc4)C[C@@H](O)C3)cs2)c1 ZINC000922530087 860138118 /nfs/dbraw/zinc/13/81/18/860138118.db2.gz BGRYJGCLDLVDHU-XUTJKUGGSA-N 0 1 395.484 3.901 20 5 GHBDMN O=[N+]([O-])c1ccn(CCN2CCC(F)(c3ccccc3C(F)(F)F)CC2)n1 ZINC000499936563 860221414 /nfs/dbraw/zinc/22/14/14/860221414.db2.gz ANVFXZAQDWMUFP-UHFFFAOYSA-N 0 1 386.349 3.771 20 5 GHBDMN CCOc1ccc(NC(=O)CN[C@H](CC)c2ccc(OC)cc2)c([N+](=O)[O-])c1 ZINC000124135664 860242799 /nfs/dbraw/zinc/24/27/99/860242799.db2.gz BRSLEAUKLSRIQD-QGZVFWFLSA-N 0 1 387.436 3.682 20 5 GHBDMN CC(C)(C)c1nc2ccc(NC(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)cc2[nH]1 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IYWODKBUADTYCD-INIZCTEOSA-N 0 1 395.253 3.579 20 5 GHBDMN CCc1[nH]nc(C(=O)N(Cc2ccc(F)cc2F)C2CCCC2)c1[N+](=O)[O-] ZINC000444258391 863775251 /nfs/dbraw/zinc/77/52/51/863775251.db2.gz IUHPXXZEKOBEDH-UHFFFAOYSA-N 0 1 378.379 3.744 20 5 GHBDMN CCc1[nH]nc(C(=O)N2CCc3c(Cl)cc(Cl)cc3[C@@H]2C)c1[N+](=O)[O-] ZINC000444286570 863820080 /nfs/dbraw/zinc/82/00/80/863820080.db2.gz ALYANBKXJOELSS-QMMMGPOBSA-N 0 1 383.235 3.947 20 5 GHBDMN CCc1[nH]nc(C(=O)N2CCc3cc(Cl)cc(Cl)c3[C@H]2C)c1[N+](=O)[O-] ZINC000444300127 863839072 /nfs/dbraw/zinc/83/90/72/863839072.db2.gz FKKDEIIZEVGTQI-MRVPVSSYSA-N 0 1 383.235 3.947 20 5 GHBDMN C[C@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1nc2ccccc2s1 ZINC000734154517 864016404 /nfs/dbraw/zinc/01/64/04/864016404.db2.gz MMOMTOXWPJIEPK-VIFPVBQESA-N 0 1 397.865 3.897 20 5 GHBDMN CCCN1CCN(c2ccc(Nc3c([N+](=O)[O-])c(C)nn3C)cc2Cl)CC1 ZINC000734141317 864031202 /nfs/dbraw/zinc/03/12/02/864031202.db2.gz IEVHGZPUDZLQHJ-UHFFFAOYSA-N 0 1 392.891 3.566 20 5 GHBDMN C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1nc2ccccc2s1 ZINC000734155148 864060164 /nfs/dbraw/zinc/06/01/64/864060164.db2.gz WKNOHTPPWHXIOY-SECBINFHSA-N 0 1 397.865 3.897 20 5 GHBDMN O=[N+]([O-])c1ccccc1/C=C\CN1CCC2(CC1)C[C@H](O)c1ccccc1O2 ZINC000897267784 865038146 /nfs/dbraw/zinc/03/81/46/865038146.db2.gz PRKVMNRUWUOPNV-BPJPHKDRSA-N 0 1 380.444 3.959 20 5 GHBDMN C[C@H](C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000184919962 865043765 /nfs/dbraw/zinc/04/37/65/865043765.db2.gz XFPYXHDDRGMLKV-DOTOQJQBSA-N 0 1 385.439 3.618 20 5 GHBDMN NC(=O)c1ccc(CN[C@H](Cc2ccccc2)c2cccs2)c([N+](=O)[O-])c1 ZINC000184983422 865101921 /nfs/dbraw/zinc/10/19/21/865101921.db2.gz LCFDNKJVMFVQML-QGZVFWFLSA-N 0 1 381.457 3.829 20 5 GHBDMN CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c1 ZINC000121284451 865145429 /nfs/dbraw/zinc/14/54/29/865145429.db2.gz LLFHWUVQIVZKTG-UHFFFAOYSA-N 0 1 380.404 3.921 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2ncn(CN3CC[C@H](Cc4ccc(F)cc4)C3)n2)cc1 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HEVUHHQFZJHGRD-GOSISDBHSA-N 0 1 399.447 3.659 20 5 GHBDMN COC(=O)COc1ccc(CN2CCCCC[C@@H]2c2ccncc2)cc1[N+](=O)[O-] ZINC000475579402 866414816 /nfs/dbraw/zinc/41/48/16/866414816.db2.gz HEVUHHQFZJHGRD-GOSISDBHSA-N 0 1 399.447 3.659 20 5 GHBDMN CCc1[nH]nc(C(=O)N2CCC[C@H](c3cccc(C(F)(F)F)c3)C2)c1[N+](=O)[O-] ZINC000553143842 866874064 /nfs/dbraw/zinc/87/40/64/866874064.db2.gz GUCCJWQVJRRLJD-LBPRGKRZSA-N 0 1 396.369 3.919 20 5 GHBDMN COc1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1C1CC1 ZINC000444821839 867264105 /nfs/dbraw/zinc/26/41/05/867264105.db2.gz CYRPNWQLRGVBAW-UHFFFAOYSA-N 0 1 379.376 3.518 20 5 GHBDMN CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000553395686 867316340 /nfs/dbraw/zinc/31/63/40/867316340.db2.gz NBCAPPRZDJLLTJ-NIKGAXFTSA-N 0 1 394.431 3.552 20 5 GHBDMN Cc1c(Br)c(N2CC[C@H]3CC[C@@H](C2)N3C(C)C)ncc1[N+](=O)[O-] ZINC000544394859 867449551 /nfs/dbraw/zinc/44/95/51/867449551.db2.gz UKUXSGFAUTVVMQ-OLZOCXBDSA-N 0 1 383.290 3.512 20 5 GHBDMN Cc1cc(S(=O)(=O)Nc2cccc(Cl)c2-n2cccn2)ccc1[N+](=O)[O-] ZINC000523729954 867862297 /nfs/dbraw/zinc/86/22/97/867862297.db2.gz WYMWHQCHKXUUDF-UHFFFAOYSA-N 0 1 392.824 3.543 20 5 GHBDMN O=C1CCc2cc([N+](=O)[O-])c(Sc3nc(-c4ccccc4F)n[nH]3)cc2N1 ZINC000170639457 869572519 /nfs/dbraw/zinc/57/25/19/869572519.db2.gz AAXUCXZRSCZUDH-UHFFFAOYSA-N 0 1 385.380 3.555 20 5 GHBDMN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000539846628 869893217 /nfs/dbraw/zinc/89/32/17/869893217.db2.gz DGPDROIWJCKEOJ-LJQANCHMSA-N 0 1 381.476 3.914 20 5 GHBDMN Cc1cc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000539853194 869920086 /nfs/dbraw/zinc/92/00/86/869920086.db2.gz FDHMRBYCYSWXQM-UHFFFAOYSA-N 0 1 376.312 3.603 20 5 GHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCn2c(cc3c2cccc3Cl)C1 ZINC000446522318 869985988 /nfs/dbraw/zinc/98/59/88/869985988.db2.gz PSYNKWYROXEAGX-UHFFFAOYSA-N 0 1 395.806 3.735 20 5 GHBDMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000446648932 870172446 /nfs/dbraw/zinc/17/24/46/870172446.db2.gz OBYOCFUNAJUWCP-UHFFFAOYSA-N 0 1 394.859 3.696 20 5 GHBDMN O=[N+]([O-])c1ccc(NS(=O)(=O)Cc2ccccc2Cl)c2cccnc21 ZINC000446771812 870327814 /nfs/dbraw/zinc/32/78/14/870327814.db2.gz YKVFAOOCTZMCOJ-UHFFFAOYSA-N 0 1 377.809 3.738 20 5 GHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N(Cc1ccc(F)cc1)CC(F)(F)F ZINC000461590340 870576833 /nfs/dbraw/zinc/57/68/33/870576833.db2.gz XUHPUISJYWICAF-UHFFFAOYSA-N 0 1 396.300 3.815 20 5 GHBDMN Cc1ccc([C@@H](C)NCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])cc1[N+](=O)[O-] ZINC000775550345 870699312 /nfs/dbraw/zinc/69/93/12/870699312.db2.gz ZPGALYJULOHFEP-LLVKDONJSA-N 0 1 392.799 3.754 20 5 GHBDMN Cc1c(C(=O)N2CCC[C@@H](c3nnc(-c4ccccc4)[nH]3)C2)cccc1[N+](=O)[O-] ZINC000181334996 870845328 /nfs/dbraw/zinc/84/53/28/870845328.db2.gz JHUJPSBSMLIYSU-MRXNPFEDSA-N 0 1 391.431 3.708 20 5 GHBDMN O=[N+]([O-])c1cccc(OC[C@@H](O)CN[C@@H](CC(F)(F)F)c2ccccc2)c1 ZINC000540380713 871176104 /nfs/dbraw/zinc/17/61/04/871176104.db2.gz PGRSSLNHPUISGD-RDJZCZTQSA-N 0 1 384.354 3.618 20 5 GHBDMN Cc1cc(NC2CCN(C(=O)c3ccoc3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000272830361 871262791 /nfs/dbraw/zinc/26/27/91/871262791.db2.gz KXAFEQBASYVTHJ-UHFFFAOYSA-N 0 1 380.404 3.761 20 5 GHBDMN CCN(CC)[C@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1Cl ZINC000069692476 871401133 /nfs/dbraw/zinc/40/11/33/871401133.db2.gz AGDRCBJQDKEGPW-LJQANCHMSA-N 0 1 389.883 3.990 20 5 GHBDMN C[C@@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1Cl ZINC000447320809 871410288 /nfs/dbraw/zinc/41/02/88/871410288.db2.gz HAPUKVCMQFCQTJ-DGCLKSJQSA-N 0 1 385.247 3.992 20 5 GHBDMN Cc1ccc([C@@H](C)NCC(=O)Nc2nc3ccc(F)cc3s2)cc1[N+](=O)[O-] ZINC000181825406 871526350 /nfs/dbraw/zinc/52/63/50/871526350.db2.gz JVYGJSMAFDHSQU-LLVKDONJSA-N 0 1 388.424 3.941 20 5 GHBDMN Cc1ccc([C@H](C)NCC(=O)Nc2nc3ccc(F)cc3s2)cc1[N+](=O)[O-] ZINC000181825423 871526453 /nfs/dbraw/zinc/52/64/53/871526453.db2.gz JVYGJSMAFDHSQU-NSHDSACASA-N 0 1 388.424 3.941 20 5 GHBDMN O=C1c2ccccc2C(=O)N1CCCCN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000441259425 871581855 /nfs/dbraw/zinc/58/18/55/871581855.db2.gz DONWOXCMUSZCOH-UHFFFAOYSA-N 0 1 393.443 3.636 20 5 GHBDMN CC[C@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000182197775 872019330 /nfs/dbraw/zinc/01/93/30/872019330.db2.gz DEPKSBBIYZVVQT-KRWDZBQOSA-N 0 1 382.869 3.763 20 5 GHBDMN C[C@@H](Cc1cccc(F)c1)N(C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001195013170 872070474 /nfs/dbraw/zinc/07/04/74/872070474.db2.gz JVVCYVDTJBFUSO-LBPRGKRZSA-N 0 1 379.819 3.889 20 5 GHBDMN CC(C)(COc1ncccc1Br)NCc1ccc([N+](=O)[O-])cc1F ZINC000478192870 872669339 /nfs/dbraw/zinc/66/93/39/872669339.db2.gz DSPQCUOHTCTSNC-UHFFFAOYSA-N 0 1 398.232 3.839 20 5 GHBDMN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000448029980 872754760 /nfs/dbraw/zinc/75/47/60/872754760.db2.gz RIOHRBYTICOUDA-FOIQADDNSA-N 0 1 382.464 3.825 20 5 GHBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCc2ccc(F)c(Br)c2C1 ZINC001196356210 873053124 /nfs/dbraw/zinc/05/31/24/873053124.db2.gz BZZQIMZOQGQCAU-UHFFFAOYSA-N 0 1 381.201 3.760 20 5 GHBDMN Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)Nc2nc3ccc(C)cc3[nH]2)c1 ZINC001129386337 873131498 /nfs/dbraw/zinc/13/14/98/873131498.db2.gz SAHXHSAIFZTPPH-UHFFFAOYSA-N 0 1 390.403 3.585 20 5 GHBDMN C[C@H]1CCCC[N@H+]1Cc1ccc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000768866636 873630072 /nfs/dbraw/zinc/63/00/72/873630072.db2.gz NKVFHDMQWFXHFW-ZDUSSCGKSA-N 0 1 395.506 3.832 20 5 GHBDMN O=[N+]([O-])c1ccc(CNCCOc2ncccc2C(F)(F)F)c(Cl)c1 ZINC000541556135 873860478 /nfs/dbraw/zinc/86/04/78/873860478.db2.gz ONEBLSONIXFVGR-UHFFFAOYSA-N 0 1 375.734 3.831 20 5 GHBDMN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001197658147 873951238 /nfs/dbraw/zinc/95/12/38/873951238.db2.gz DJPYYKHZZHPXRX-AWEZNQCLSA-N 0 1 393.447 3.687 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H]1CC2(CCC2)Oc2ccccc21 ZINC001197671537 873959468 /nfs/dbraw/zinc/95/94/68/873959468.db2.gz JPOJMKQMLUJWFQ-KRWDZBQOSA-N 0 1 397.431 3.578 20 5 GHBDMN COc1cc(CN2CCOC[C@@H](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000769454974 874081390 /nfs/dbraw/zinc/08/13/90/874081390.db2.gz CAGYMLYOQWSJGW-INIZCTEOSA-N 0 1 386.448 3.651 20 5 GHBDMN O=C(NC[C@H](c1ccco1)N1CCCC1)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000770009686 874400151 /nfs/dbraw/zinc/40/01/51/874400151.db2.gz LXCWMDGCIXVBRQ-OAHLLOKOSA-N 0 1 378.816 3.800 20 5 GHBDMN O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N1CCCN(Cc2ccccc2)CC1 ZINC000770018632 874406581 /nfs/dbraw/zinc/40/65/81/874406581.db2.gz JEYOMKHIMNGCKJ-UHFFFAOYSA-N 0 1 388.855 3.988 20 5 GHBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCC[C@H](COC)C2)cc1OC ZINC000541987161 874677742 /nfs/dbraw/zinc/67/77/42/874677742.db2.gz LXRBLPSWAMBEBD-HOTGVXAUSA-N 0 1 380.485 3.887 20 5 GHBDMN C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)N1C[C@@H]2CCC[C@@H]2C1 ZINC000464899721 874711979 /nfs/dbraw/zinc/71/19/79/874711979.db2.gz UCCLHLPJISATNW-YUELXQCFSA-N 0 1 386.477 3.777 20 5 GHBDMN CCc1nc2cc(S(=O)(=O)Nc3c(C)ccc([N+](=O)[O-])c3C)ccc2o1 ZINC000542000937 874737167 /nfs/dbraw/zinc/73/71/67/874737167.db2.gz YVBPKWOFAJSVRJ-UHFFFAOYSA-N 0 1 375.406 3.716 20 5 GHBDMN COc1ccc(CN[C@@H](CCO)c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000449437693 874888295 /nfs/dbraw/zinc/88/82/95/874888295.db2.gz NAOKDCWRSZJZGT-HNNXBMFYSA-N 0 1 384.354 3.836 20 5 GHBDMN Cc1ccc([C@@H](C)N[C@H](Cc2ccc(C(F)(F)F)cc2)C(N)=O)cc1[N+](=O)[O-] ZINC000542233124 875188842 /nfs/dbraw/zinc/18/88/42/875188842.db2.gz GCXRZEXFJJOIKH-MLGOLLRUSA-N 0 1 395.381 3.669 20 5 GHBDMN COc1cc(Cl)c(S(=O)(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1Cl ZINC000105589567 875340441 /nfs/dbraw/zinc/34/04/41/875340441.db2.gz QAFUNDJGMAVKGT-UHFFFAOYSA-N 0 1 395.195 3.850 20 5 GHBDMN CCc1[nH]n(Cc2ccccc2C)c(=O)c1CCNc1nccc(C)c1[N+](=O)[O-] ZINC000450721309 876785269 /nfs/dbraw/zinc/78/52/69/876785269.db2.gz WTWJEYBDOGJZIF-KRWDZBQOSA-N 0 1 395.463 3.833 20 5 GHBDMN CCc1[nH]n(Cc2ccccc2C)c(=O)c1CCNc1ncccc1[N+](=O)[O-] ZINC000450717422 876816651 /nfs/dbraw/zinc/81/66/51/876816651.db2.gz LMTXEPBHZATCHK-MRXNPFEDSA-N 0 1 381.436 3.525 20 5 GHBDMN COc1ccc(-c2ccc(CNC[C@]34OCCC[C@H]3C4(F)F)o2)c([N+](=O)[O-])c1 ZINC000850378772 876863629 /nfs/dbraw/zinc/86/36/29/876863629.db2.gz TXJCOGNNDZUJFF-MSOLQXFVSA-N 0 1 394.374 3.767 20 5 GHBDMN COc1cc(F)c(NC(=O)c2sc(Br)cc2[N+](=O)[O-])cc1F ZINC000486163031 876985013 /nfs/dbraw/zinc/98/50/13/876985013.db2.gz CAZVINNBXUKQGL-UHFFFAOYSA-N 0 1 393.165 3.958 20 5 GHBDMN C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000451013817 877233830 /nfs/dbraw/zinc/23/38/30/877233830.db2.gz KFFHNOXZPOKJOG-MFKMUULPSA-N 0 1 382.342 3.788 20 5 GHBDMN C[C@H](NCC(=O)NCc1ccccc1OC1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000451105836 877366739 /nfs/dbraw/zinc/36/67/39/877366739.db2.gz NRRCUYSSLAJKQD-INIZCTEOSA-N 0 1 397.475 3.883 20 5 GHBDMN CCCCNC(=O)C1(NCc2ccc([N+](=O)[O-])c(OCC)c2)CCCCC1 ZINC000492752269 877483996 /nfs/dbraw/zinc/48/39/96/877483996.db2.gz VINQNYQZEQIPBO-UHFFFAOYSA-N 0 1 377.485 3.702 20 5 GHBDMN COc1ccc(NC(=O)[C@H](C)N[C@H](C)c2ccc(F)c(C)c2)c([N+](=O)[O-])c1 ZINC000451164055 877496356 /nfs/dbraw/zinc/49/63/56/877496356.db2.gz RGNHWOKZCOIIBB-OLZOCXBDSA-N 0 1 375.400 3.729 20 5 GHBDMN CC[C@@H]1Oc2cc([C@@H](C)NCc3ccc([N+](=O)[O-])c(OC)c3)ccc2NC1=O ZINC000492757017 877519463 /nfs/dbraw/zinc/51/94/63/877519463.db2.gz NYUVZPHPQAEUPT-PXAZEXFGSA-N 0 1 385.420 3.564 20 5 GHBDMN COc1nc2ccc(NS(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2s1 ZINC000788139839 877855089 /nfs/dbraw/zinc/85/50/89/877855089.db2.gz PEANARFIDGIHKP-UHFFFAOYSA-N 0 1 399.837 3.667 20 5 GHBDMN CN1CCC[C@H](NCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1=O ZINC000530644176 878232100 /nfs/dbraw/zinc/23/21/00/878232100.db2.gz KZGHNYKBFHHSGD-HNNXBMFYSA-N 0 1 389.839 3.751 20 5 GHBDMN CC[C@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(OC)c(OC)c1 ZINC000285630310 912368562 /nfs/dbraw/zinc/36/85/62/912368562.db2.gz ZYUUNCHAEMAGAW-KRWDZBQOSA-N 0 1 388.420 3.719 20 5 GHBDMN Cc1c([C@@H](C)N[C@H]2CCN(CCCc3ccccc3)C2=O)cccc1[N+](=O)[O-] ZINC000538020463 878726865 /nfs/dbraw/zinc/72/68/65/878726865.db2.gz FLXOIWXFNORFKI-XLIONFOSSA-N 0 1 381.476 3.788 20 5 GHBDMN CCCN1CCN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000530908422 878752635 /nfs/dbraw/zinc/75/26/35/878752635.db2.gz QOQKYVXZZMJEDU-UHFFFAOYSA-N 0 1 384.436 3.947 20 5 GHBDMN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000452175608 879043827 /nfs/dbraw/zinc/04/38/27/879043827.db2.gz UBTAHCFPVSXBKT-CQSZACIVSA-N 0 1 377.510 3.652 20 5 GHBDMN CC(C)N(Cc1cnn(Cc2ccccc2)c1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC001168457423 879248763 /nfs/dbraw/zinc/24/87/63/879248763.db2.gz AUIVEWBFUBEVFA-UHFFFAOYSA-N 0 1 380.448 3.956 20 5 GHBDMN CN1C(=O)c2ccccc2[C@H]1CNCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001183326455 912442514 /nfs/dbraw/zinc/44/25/14/912442514.db2.gz WZQCJMINSGZRJM-MRXNPFEDSA-N 0 1 379.338 3.530 20 5 GHBDMN CN(C)[C@@H]1CCOc2c(NC(=O)c3cccc(Cl)c3[N+](=O)[O-])cccc21 ZINC000790238961 879539640 /nfs/dbraw/zinc/53/96/40/879539640.db2.gz SRLASKAMHGKNNQ-OAHLLOKOSA-N 0 1 375.812 3.886 20 5 GHBDMN CN(C)[C@H]1CCOc2c(NC(=O)C(F)(F)c3ccc([N+](=O)[O-])cc3)cccc21 ZINC000790239109 879541655 /nfs/dbraw/zinc/54/16/55/879541655.db2.gz DGMGJZFZQJZJFW-INIZCTEOSA-N 0 1 391.374 3.711 20 5 GHBDMN O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3ccc(SC(F)F)cc3)C2)nc1 ZINC000112656539 880065281 /nfs/dbraw/zinc/06/52/81/880065281.db2.gz ZSINTIAOBVXZPR-ZDUSSCGKSA-N 0 1 380.420 3.991 20 5 GHBDMN Cc1nc(-c2ccccc2)[nH]c1C(=O)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000791730041 880660224 /nfs/dbraw/zinc/66/02/24/880660224.db2.gz XOPHDKWKVQTXBA-UHFFFAOYSA-N 0 1 382.332 3.559 20 5 GHBDMN C[C@H](N[C@@H](C)c1cccc(N2CCCS2(=O)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000173334353 881099606 /nfs/dbraw/zinc/09/96/06/881099606.db2.gz IMUBDECYYCZKNB-GJZGRUSLSA-N 0 1 389.477 3.547 20 5 GHBDMN COc1ccccc1CN(Cc1cccs1)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000064336204 883136391 /nfs/dbraw/zinc/13/63/91/883136391.db2.gz IRKIJJXOVIAWFD-UHFFFAOYSA-N 0 1 386.433 3.539 20 5 GHBDMN CCCc1[nH]nc(C(=O)N(C)C[C@H]2CCCO[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000609476876 883239460 /nfs/dbraw/zinc/23/94/60/883239460.db2.gz SFPFAWJZKVRHES-BEFAXECRSA-N 0 1 386.452 3.510 20 5 GHBDMN O=[N+]([O-])c1ccc2ncnc(N3CCCN(Cc4ccc(Cl)cc4)CC3)c2c1 ZINC000609849341 883728514 /nfs/dbraw/zinc/72/85/14/883728514.db2.gz MQWXTLVABFOENS-UHFFFAOYSA-N 0 1 397.866 3.904 20 5 GHBDMN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCc1cc(-c2ccccc2)on1 ZINC000154781110 884128706 /nfs/dbraw/zinc/12/87/06/884128706.db2.gz AQPYBQUWFHCZFU-AWEZNQCLSA-N 0 1 380.404 3.757 20 5 GHBDMN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000859929974 884180329 /nfs/dbraw/zinc/18/03/29/884180329.db2.gz NWJYFGPRGGMHMW-OYSPMZIOSA-N 0 1 395.459 3.666 20 5 GHBDMN COc1ccc(NC(=O)CCN(C)Cc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000026224938 884189434 /nfs/dbraw/zinc/18/94/34/884189434.db2.gz NXJQKQYORAJZAI-UHFFFAOYSA-N 0 1 377.828 3.717 20 5 GHBDMN Cc1cccc2nc(CNC(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)[nH]c21 ZINC000498407205 884332858 /nfs/dbraw/zinc/33/28/58/884332858.db2.gz VJHSTPLAAXGCJO-UHFFFAOYSA-N 0 1 393.428 3.833 20 5 GHBDMN Cc1nc(-c2ccc(NS(=O)(=O)c3cc([N+](=O)[O-])cc(C)c3C)cc2)co1 ZINC000026540362 884420473 /nfs/dbraw/zinc/42/04/73/884420473.db2.gz GBMYWKMAWDIEAW-UHFFFAOYSA-N 0 1 387.417 3.976 20 5 GHBDMN Cc1nc2cc(NS(=O)(=O)c3cc([N+](=O)[O-])c(C)cc3Cl)ccc2o1 ZINC000176579523 884786629 /nfs/dbraw/zinc/78/66/29/884786629.db2.gz CXPOTMJYCJJDJU-UHFFFAOYSA-N 0 1 381.797 3.807 20 5 GHBDMN CC(C)(C)N1CC[C@@](F)(C(=O)O[C@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)C1 ZINC000861444729 885510408 /nfs/dbraw/zinc/51/04/08/885510408.db2.gz BVIUVJWHGRKYDM-CJNGLKHVSA-N 0 1 392.349 3.954 20 5 GHBDMN Cc1ccc(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-] ZINC000139100894 885717721 /nfs/dbraw/zinc/71/77/21/885717721.db2.gz QLXDSCDCXWFZEQ-UHFFFAOYSA-N 0 1 387.867 3.951 20 5 GHBDMN CC[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)N1CCc2ccccc2C1 ZINC000032446807 886545158 /nfs/dbraw/zinc/54/51/58/886545158.db2.gz PIACDMJOYOLORI-INIZCTEOSA-N 0 1 387.867 3.815 20 5 GHBDMN CC(C)(C)c1nc2ccc(NC(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)cc2[nH]1 ZINC000032465751 886678761 /nfs/dbraw/zinc/67/87/61/886678761.db2.gz PDZXMLHCGRPWQP-UHFFFAOYSA-N 0 1 396.403 3.792 20 5 GHBDMN O=C1[C@@H](c2ccc([N+](=O)[O-])cc2)CCN1CN1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000863321543 887031754 /nfs/dbraw/zinc/03/17/54/887031754.db2.gz ZFRYCZINVULUBY-WSWWRLHASA-N 0 1 391.471 3.604 20 5 GHBDMN O=[N+]([O-])c1cn(CN2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)nc1-c1ccncc1 ZINC000863321493 887032629 /nfs/dbraw/zinc/03/26/29/887032629.db2.gz XKSAFQCDSOOTJA-GBESFXJTSA-N 0 1 375.432 3.546 20 5 GHBDMN Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)ccc1Br ZINC000032586115 887415056 /nfs/dbraw/zinc/41/50/56/887415056.db2.gz SAWGRWWRBDPZAY-UHFFFAOYSA-N 0 1 385.239 3.775 20 5 GHBDMN CSC1(CN2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)CC1 ZINC000809567941 887548949 /nfs/dbraw/zinc/54/89/49/887548949.db2.gz RPMAVUJAKGHBQX-UHFFFAOYSA-N 0 1 375.416 3.631 20 5 GHBDMN CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000153761675 887758854 /nfs/dbraw/zinc/75/88/54/887758854.db2.gz TVOCJVLMSIEYFU-OKZBNKHCSA-N 0 1 397.258 3.525 20 5 GHBDMN Cc1cc(F)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000194155192 888063660 /nfs/dbraw/zinc/06/36/60/888063660.db2.gz ZIFMHCZRMXCBKY-UHFFFAOYSA-N 0 1 389.202 3.606 20 5 GHBDMN CC(C)(C)OC(=O)N1CC[C@@H](NCc2c(F)cc([N+](=O)[O-])cc2F)C(C)(C)C1 ZINC000796060268 913213785 /nfs/dbraw/zinc/21/37/85/913213785.db2.gz BVROOSZTVFEXKV-MRXNPFEDSA-N 0 1 399.438 3.998 20 5 GHBDMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)c([N+](=O)[O-])c1 ZINC000916108310 888716831 /nfs/dbraw/zinc/71/68/31/888716831.db2.gz UWBGSXYENHBAJC-UHFFFAOYSA-N 0 1 392.176 3.611 20 5 GHBDMN O=C(OCc1c(F)c(F)c(Br)c(F)c1F)c1ccc([N+](=O)[O-])[nH]1 ZINC000810752907 888851751 /nfs/dbraw/zinc/85/17/51/888851751.db2.gz VJCCNFGCRGZQJF-UHFFFAOYSA-N 0 1 397.078 3.599 20 5 GHBDMN Cc1nn(CN2CC[C@@H](COCc3ccccc3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000121226478 889036039 /nfs/dbraw/zinc/03/60/39/889036039.db2.gz FGKUPQGERGQPOR-GOSISDBHSA-N 0 1 380.448 3.749 20 5 GHBDMN CCN1CC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1SCC1CCCC1 ZINC001132801315 889588482 /nfs/dbraw/zinc/58/84/82/889588482.db2.gz ONLWJUDCJSUIMZ-INIZCTEOSA-N 0 1 377.510 3.701 20 5 GHBDMN O=[N+]([O-])c1ccc(OCCNCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc1 ZINC000811477972 889664506 /nfs/dbraw/zinc/66/45/06/889664506.db2.gz JSVSOETWUAUSQT-UHFFFAOYSA-N 0 1 386.191 3.978 20 5 GHBDMN Cc1nn(CN2CC[C@@]3(C2)CCc2ccccc2O3)c2cc([N+](=O)[O-])ccc12 ZINC000811782296 889955301 /nfs/dbraw/zinc/95/53/01/889955301.db2.gz NCWLMZISKMCGBJ-OAQYLSRUSA-N 0 1 378.432 3.680 20 5 GHBDMN O=C(NC[C@H]1CCCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1)C(F)(F)F ZINC000811855867 890051436 /nfs/dbraw/zinc/05/14/36/890051436.db2.gz GZTHZGFLDHHIBC-SECBINFHSA-N 0 1 399.291 3.509 20 5 GHBDMN CC(C)c1[nH]nc(C(=O)N2CCCC[C@@H]2c2nc3ccccc3n2C)c1[N+](=O)[O-] ZINC000533235005 890076574 /nfs/dbraw/zinc/07/65/74/890076574.db2.gz QDKKYWMZBLPBTR-OAHLLOKOSA-N 0 1 396.451 3.695 20 5 GHBDMN CCC[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1C[C@H](OCC)C12CCCC2 ZINC000533292723 890208440 /nfs/dbraw/zinc/20/84/40/890208440.db2.gz DNZWDWUMXISYJQ-OALUTQOASA-N 0 1 389.496 3.644 20 5 GHBDMN O=C(CN1CC[C@H](c2ccc(Cl)cc2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000533303233 890250673 /nfs/dbraw/zinc/25/06/73/890250673.db2.gz XVLWSBZEQRWDMF-INIZCTEOSA-N 0 1 385.851 3.627 20 5 GHBDMN Cc1cc(NC(=O)N(C)C2CCN(CCC(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000455081059 890278678 /nfs/dbraw/zinc/27/86/78/890278678.db2.gz GTPJAJJBMWLTBI-UHFFFAOYSA-N 0 1 388.390 3.784 20 5 GHBDMN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(OCc2ccccc2)nc1 ZINC000533466502 890625263 /nfs/dbraw/zinc/62/52/63/890625263.db2.gz MTIXHIFHQRZHMQ-UHFFFAOYSA-N 0 1 399.428 3.678 20 5 GHBDMN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC(=Cc3cccc(F)c3)CC2)c1 ZINC000533540144 890799764 /nfs/dbraw/zinc/79/97/64/890799764.db2.gz SPVKZHASNPJNMD-FQEVSTJZSA-N 0 1 386.423 3.653 20 5 GHBDMN CCN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[C@H](C)[C@@H](O)c1ccccc1 ZINC000812850141 891041917 /nfs/dbraw/zinc/04/19/17/891041917.db2.gz LWGOCSBSUMKNHO-AUUYWEPGSA-N 0 1 382.420 3.589 20 5 GHBDMN C[C@@H](N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(C(F)(F)F)nc1 ZINC000871934503 891090930 /nfs/dbraw/zinc/09/09/30/891090930.db2.gz HRYYMQIUTWDXQJ-MNOVXSKESA-N 0 1 382.342 3.686 20 5 GHBDMN COc1ccc(CCCN(C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1 ZINC000497493131 891733557 /nfs/dbraw/zinc/73/35/57/891733557.db2.gz SZLOQFFMRONBLY-UHFFFAOYSA-N 0 1 382.420 3.718 20 5 GHBDMN COc1cc(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)ccc1OCCC(C)C ZINC000475992951 891900703 /nfs/dbraw/zinc/90/07/03/891900703.db2.gz BDRNKCOUPCODBS-UHFFFAOYSA-N 0 1 388.420 3.664 20 5 GHBDMN C[C@@H](N[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc2c(c1)OCO2 ZINC000192465254 892501910 /nfs/dbraw/zinc/50/19/10/892501910.db2.gz WVQLQGICZZPHFH-MNOVXSKESA-N 0 1 391.811 3.655 20 5 GHBDMN Cc1ccc(Br)c(S(=O)(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000497861458 892575236 /nfs/dbraw/zinc/57/52/36/892575236.db2.gz WJPASSLVVYJFKF-UHFFFAOYSA-N 0 1 385.239 3.775 20 5 GHBDMN CC(C)(C)OC(=O)N1C[C@@H]2CCN(Cc3csc([N+](=O)[O-])c3)CC[C@@H]2C1 ZINC000814676267 893056266 /nfs/dbraw/zinc/05/62/66/893056266.db2.gz GDTULXHVKHCISO-GASCZTMLSA-N 0 1 381.498 3.735 20 5 GHBDMN O=C(NC[C@@H](c1ccccc1)N1CCCC1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778221273 893381318 /nfs/dbraw/zinc/38/13/18/893381318.db2.gz KSHCTCYMNLWFDY-SFHVURJKSA-N 0 1 389.402 3.640 20 5 GHBDMN O=C(NC[C@H](c1ccccc1)N1CCCC1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778221272 893381867 /nfs/dbraw/zinc/38/18/67/893381867.db2.gz KSHCTCYMNLWFDY-GOSISDBHSA-N 0 1 389.402 3.640 20 5 GHBDMN Cc1nc(NS(=O)(=O)Cc2cc(Cl)cc(Cl)c2)ccc1[N+](=O)[O-] ZINC000194677846 893893927 /nfs/dbraw/zinc/89/39/27/893893927.db2.gz LUACJQWGMKOZPI-UHFFFAOYSA-N 0 1 376.221 3.547 20 5 GHBDMN C[C@H](NCc1cc(Cl)c2c(c1)OCCCO2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815590137 894029641 /nfs/dbraw/zinc/02/96/41/894029641.db2.gz MZWQTKIRTUYIKM-NSHDSACASA-N 0 1 377.828 3.843 20 5 GHBDMN CCOc1cc(N[C@@H](C)CN2CCN(c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC001185466911 913891157 /nfs/dbraw/zinc/89/11/57/913891157.db2.gz MWYBEFMZVOAAID-KRWDZBQOSA-N 0 1 384.480 3.616 20 5 GHBDMN Cc1ccc(-c2cc(-c3nc(Cc4ccc([N+](=O)[O-])cn4)no3)[nH]n2)c(C)c1 ZINC000564267639 894793833 /nfs/dbraw/zinc/79/38/33/894793833.db2.gz DTBPMGFPSRYQHJ-UHFFFAOYSA-N 0 1 376.376 3.638 20 5 GHBDMN CCO[C@@H]1C[C@@H](NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])[C@H]1n1cccn1 ZINC000816672503 895017480 /nfs/dbraw/zinc/01/74/80/895017480.db2.gz BPDMBFALUAKAJU-IIAWOOMASA-N 0 1 385.251 3.606 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc2oc(CN3CCCC3)nc2c1 ZINC000816765215 895058080 /nfs/dbraw/zinc/05/80/80/895058080.db2.gz WVGXJVCKOWBAOB-UHFFFAOYSA-N 0 1 380.404 3.893 20 5 GHBDMN Cc1c(C(=O)Nc2ccc3oc(CN4CCCC4)nc3c2)cccc1[N+](=O)[O-] ZINC000816765327 895058317 /nfs/dbraw/zinc/05/83/17/895058317.db2.gz AYMNSPGVIBWWDO-UHFFFAOYSA-N 0 1 380.404 3.893 20 5 GHBDMN O=[N+]([O-])c1cccc(-c2ccc(CN3CCC[C@H]([C@@H](O)C(F)(F)F)C3)o2)c1 ZINC000565814009 895904220 /nfs/dbraw/zinc/90/42/20/895904220.db2.gz VNAFUVFJJUORNK-SUMWQHHRSA-N 0 1 384.354 3.990 20 5 GHBDMN C[C@@H]1C[C@H](CCNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000566293278 896221327 /nfs/dbraw/zinc/22/13/27/896221327.db2.gz LJXNNMHMGXFAKG-APWZRJJASA-N 0 1 397.475 3.935 20 5 GHBDMN Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2CCCN(Cc3ccccc3)CC2)c1F ZINC000820114086 897168460 /nfs/dbraw/zinc/16/84/60/897168460.db2.gz IWGLJBHFLYUZFO-UHFFFAOYSA-N 0 1 389.402 3.530 20 5 GHBDMN CC(C)(C)c1ccc(-c2nc([C@H]3CN4CCC[C@]4(C)CO3)no2)cc1[N+](=O)[O-] ZINC000569530003 898751491 /nfs/dbraw/zinc/75/14/91/898751491.db2.gz FXKOXVKIZXHPBW-OXQOHEQNSA-N 0 1 386.452 3.868 20 5 GHBDMN Cc1cc([N+](=O)[O-])c(F)c(C(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)c1F ZINC000823268331 898930230 /nfs/dbraw/zinc/93/02/30/898930230.db2.gz HZYFSWHADJWWRX-ZFWWWQNUSA-N 0 1 389.402 3.747 20 5 GHBDMN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](c3ncc(C(F)(F)F)[nH]3)C2)c1 ZINC000332364675 899607887 /nfs/dbraw/zinc/60/78/87/899607887.db2.gz VTBLYDMAVJBJNC-LLVKDONJSA-N 0 1 382.342 3.665 20 5 GHBDMN Cc1cc(N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000571049269 899724003 /nfs/dbraw/zinc/72/40/03/899724003.db2.gz GRKICJLOPJTIGS-AWEZNQCLSA-N 0 1 384.436 3.518 20 5 GHBDMN O=[N+]([O-])c1ccc([C@@H]2CCCN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)cc1 ZINC000824820354 899826051 /nfs/dbraw/zinc/82/60/51/899826051.db2.gz DJAKQPZWAQBBPT-OAHLLOKOSA-N 0 1 399.403 3.749 20 5 GHBDMN CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H](O)c1ccccc1Br ZINC000825338788 900103196 /nfs/dbraw/zinc/10/31/96/900103196.db2.gz UPYWYJKAOFFMLW-MRXNPFEDSA-N 0 1 395.253 3.579 20 5 GHBDMN C[C@@H]1CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)c2ccc(F)cc2O1 ZINC001137033654 900155390 /nfs/dbraw/zinc/15/53/90/900155390.db2.gz KPENXXSCXANVAX-LLVKDONJSA-N 0 1 382.351 3.552 20 5 GHBDMN Cc1ccc(CNc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])c(N2CCCC2)[nH+]1 ZINC000844209276 900604174 /nfs/dbraw/zinc/60/41/74/900604174.db2.gz JWNCLKINVAENIG-TWGQIWQCSA-N 0 1 382.420 3.608 20 5 GHBDMN CCC(C)(C)N1CCN(C(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)CC1 ZINC001144205206 901284675 /nfs/dbraw/zinc/28/46/75/901284675.db2.gz KVDGTANWAQAXQZ-UHFFFAOYSA-N 0 1 392.258 3.987 20 5 GHBDMN CCc1csc(CC2CCN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000847035590 903387722 /nfs/dbraw/zinc/38/77/22/903387722.db2.gz QSFBCEBOVDIOBE-GOSISDBHSA-N 0 1 375.494 3.602 20 5 GHBDMN CCOc1ccc([C@H](C)NCc2ccccc2CN2CCCC2=O)cc1[N+](=O)[O-] ZINC000152843825 904306323 /nfs/dbraw/zinc/30/63/23/904306323.db2.gz YCKACOVVWMDPJQ-INIZCTEOSA-N 0 1 397.475 3.967 20 5 GHBDMN CN1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H](Cc2ccccc2)C1 ZINC001171735184 905017026 /nfs/dbraw/zinc/01/70/26/905017026.db2.gz PPMJTNSQDGASTH-NRFANRHFSA-N 0 1 392.459 3.609 20 5 GHBDMN CC(C)(C)OC(=O)[C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)Cc2ccccc21 ZINC001171910854 905140860 /nfs/dbraw/zinc/14/08/60/905140860.db2.gz ALEDTBMPCRXWJK-HXUWFJFHSA-N 0 1 398.459 3.915 20 5 GHBDMN O=[N+]([O-])c1cc(F)c(N2CCC(NCc3ncc(Cl)s3)CC2)c(F)c1 ZINC001173008895 906083561 /nfs/dbraw/zinc/08/35/61/906083561.db2.gz LQDOCKCFCQJFNT-UHFFFAOYSA-N 0 1 388.827 3.742 20 5 GHBDMN Cc1ccc([C@@H](C)N[C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1[N+](=O)[O-] ZINC000177603933 906177846 /nfs/dbraw/zinc/17/78/46/906177846.db2.gz OSAXPHBORPPVBX-HUUCEWRRSA-N 0 1 391.493 3.565 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N[C@H](c2ccccc2)c2cccnn2)c1F ZINC001173186379 906268433 /nfs/dbraw/zinc/26/84/33/906268433.db2.gz ROFNCWKFCCTTBU-SPLOXXLWSA-N 0 1 396.422 3.843 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CCC[C@@H](Oc3cccnc3)C2)c1F ZINC001173189219 906269115 /nfs/dbraw/zinc/26/91/15/906269115.db2.gz JPNBFBVFZGZBNK-GDBMZVCRSA-N 0 1 389.427 3.612 20 5 GHBDMN COc1ccc(F)c(CN[C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])c1F ZINC001173190170 906272038 /nfs/dbraw/zinc/27/20/38/906272038.db2.gz UZXLJPSXVTVJSV-JTQLQIEISA-N 0 1 384.354 3.750 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CCC(n3nccc3C)CC2)c1F ZINC001173194015 906279328 /nfs/dbraw/zinc/27/93/28/906279328.db2.gz WOCQNTXZLYUSDE-CQSZACIVSA-N 0 1 376.432 3.516 20 5 GHBDMN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCCn2cnc(COCC3CC3)c2C1 ZINC001173226963 906308896 /nfs/dbraw/zinc/30/88/96/906308896.db2.gz NABPVFNKBIHXBM-INIZCTEOSA-N 0 1 384.480 3.555 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000179769097 906591853 /nfs/dbraw/zinc/59/18/53/906591853.db2.gz AODLBDULQLHPCN-CQSZACIVSA-N 0 1 396.447 3.541 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2nc(CN3CCC[C@]3(CO)c3ccccc3)co2)cc1 ZINC001176959720 908329317 /nfs/dbraw/zinc/32/93/17/908329317.db2.gz OLOQQPZQPTYJIK-NRFANRHFSA-N 0 1 379.416 3.733 20 5 GHBDMN CCCn1ccnc1CCCN(C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000191499849 908632417 /nfs/dbraw/zinc/63/24/17/908632417.db2.gz QEKFBYRKRKCZNS-UHFFFAOYSA-N 0 1 383.452 3.921 20 5 GHBDMN O=C1Nc2ccccc2CC[C@H]1NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC001179044802 909360272 /nfs/dbraw/zinc/36/02/72/909360272.db2.gz QRYVTYUCDDGPPN-GOSISDBHSA-N 0 1 377.400 3.898 20 5 GHBDMN O=[N+]([O-])c1cccc(Br)c1CNCC[C@H]1CC[C@H](C(F)(F)F)O1 ZINC001179559623 909594875 /nfs/dbraw/zinc/59/48/75/909594875.db2.gz OADRTXGZTBRLJS-NOZJJQNGSA-N 0 1 397.191 3.947 20 5 GHBDMN O=C(Nc1cc(Cl)cc2c[nH]nc21)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001180391476 910110298 /nfs/dbraw/zinc/11/02/98/910110298.db2.gz MPXJDLYMZOVEON-UHFFFAOYSA-N 0 1 382.767 3.767 20 5 GHBDMN CC[C@@H](N[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1ccccc1OC ZINC000775078951 914986503 /nfs/dbraw/zinc/98/65/03/914986503.db2.gz ZFWIXGLLDIDPNI-XJKSGUPXSA-N 0 1 387.436 3.680 20 5 GHBDMN CC(C)(C)OC(=O)N1CCC[C@]2(CCN(Cc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000802010152 921753712 /nfs/dbraw/zinc/75/37/12/921753712.db2.gz CIFPTLRDVHUTCF-HXUWFJFHSA-N 0 1 375.469 3.818 20 5 GHBDMN O=C([O-])C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C1CC1 ZINC000901974356 921782210 /nfs/dbraw/zinc/78/22/10/921782210.db2.gz FCBYYVPMWLGYAY-UHFFFAOYSA-N 0 1 395.209 3.666 20 5 GHBDMN O=C([O-])C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C1CC1 ZINC000901974356 921782216 /nfs/dbraw/zinc/78/22/16/921782216.db2.gz FCBYYVPMWLGYAY-UHFFFAOYSA-N 0 1 395.209 3.666 20 5 GHBDMN COC(=O)c1ccc([N+](=O)[O-])c(CSc2nc(-c3ccc(C)cc3)n[nH]2)c1 ZINC001188169312 915790978 /nfs/dbraw/zinc/79/09/78/915790978.db2.gz HVSSRZXZMIBFII-UHFFFAOYSA-N 0 1 384.417 3.767 20 5 GHBDMN COc1cc([C@@H](C)N[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc(OC)c1OC ZINC000293832238 916407697 /nfs/dbraw/zinc/40/76/97/916407697.db2.gz SKQMDTCBBQUBAE-NWDGAFQWSA-N 0 1 375.425 3.615 20 5 GHBDMN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(C(C)(C)C)c1O ZINC000775296560 916849026 /nfs/dbraw/zinc/84/90/26/916849026.db2.gz YYNPFUZHVRHPDS-UHFFFAOYSA-N 0 1 382.413 3.846 20 5 GHBDMN Cc1c(CN[C@H](C)c2cc(F)ccc2N2CCC(O)CC2)cccc1[N+](=O)[O-] ZINC000775357892 917145760 /nfs/dbraw/zinc/14/57/60/917145760.db2.gz YRTCWVQNXYOIEJ-OAHLLOKOSA-N 0 1 387.455 3.854 20 5 GHBDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])n[nH]1 ZINC000295605377 917378310 /nfs/dbraw/zinc/37/83/10/917378310.db2.gz CTEJBVOOGALESV-RKDXNWHRSA-N 0 1 385.346 3.736 20 5 GHBDMN CCOc1ccc(NC(=O)CN(C)[C@@H](C)Cc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC001191121252 917766506 /nfs/dbraw/zinc/76/65/06/917766506.db2.gz ITPVMWQFDLHTMD-INIZCTEOSA-N 0 1 385.464 3.803 20 5 GHBDMN Cc1cccc([C@@H]2CCCN2CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1C ZINC001191145131 917811507 /nfs/dbraw/zinc/81/15/07/917811507.db2.gz MBBBWHYGXGAMSA-FQEVSTJZSA-N 0 1 379.460 3.938 20 5 GHBDMN O=C(C1CC1)N1CCCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000119056321 919601622 /nfs/dbraw/zinc/60/16/22/919601622.db2.gz WJQKWJOAXSUOMB-UHFFFAOYSA-N 0 1 385.489 3.768 20 5 GHBDMN O=C(COC(=O)c1ccc([N+](=O)[O-])[nH]1)Nc1ccc(Oc2ccccc2)cc1 ZINC000726365109 926640467 /nfs/dbraw/zinc/64/04/67/926640467.db2.gz WFLSXZNGDGRQFW-UHFFFAOYSA-N 0 1 381.344 3.511 20 5 GHBDMN CC(C)(C)c1ccc(C(=O)NCc2n[nH]c(-c3ccccc3)n2)cc1[N+](=O)[O-] ZINC000726775606 926848742 /nfs/dbraw/zinc/84/87/42/926848742.db2.gz RUUIOXNKOHITON-UHFFFAOYSA-N 0 1 379.420 3.607 20 5 GHBDMN CC(C)(C)c1ccc(C(=O)NCc2nc(-c3ccccc3)n[nH]2)cc1[N+](=O)[O-] ZINC000726775606 926848752 /nfs/dbraw/zinc/84/87/52/926848752.db2.gz RUUIOXNKOHITON-UHFFFAOYSA-N 0 1 379.420 3.607 20 5 GHBDMN C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000750079126 927424079 /nfs/dbraw/zinc/42/40/79/927424079.db2.gz HGWMGNRRXXXKOK-OAHLLOKOSA-N 0 1 387.867 3.985 20 5 GHBDMN O=C(Nc1c[nH]nc1[C@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1)C1CCCC1 ZINC000374806697 927542828 /nfs/dbraw/zinc/54/28/28/927542828.db2.gz NBFNXVYWEMWGTF-KRWDZBQOSA-N 0 1 397.479 3.826 20 5 GHBDMN O=C(Oc1cccc([N+](=O)[O-])c1)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000751041075 927998197 /nfs/dbraw/zinc/99/81/97/927998197.db2.gz VYZYEPXVEOAMPV-SFHVURJKSA-N 0 1 394.349 3.955 20 5 GHBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN(C)C[C@@H]2CCCOC2)cc1OC ZINC000543846039 928494099 /nfs/dbraw/zinc/49/40/99/928494099.db2.gz YVIXDSHHGOSANX-HOTGVXAUSA-N 0 1 380.485 3.887 20 5 GHBDMN C[C@H](NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1c(F)cccc1Cl ZINC000751977042 928524674 /nfs/dbraw/zinc/52/46/74/928524674.db2.gz IZDWMXGSUSUARA-QMMMGPOBSA-N 0 1 376.768 3.566 20 5 GHBDMN CC[C@H]1CN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CCN1Cc1ccccc1 ZINC000758940285 930222605 /nfs/dbraw/zinc/22/26/05/930222605.db2.gz MXTIXMRPAIFOQJ-SFHVURJKSA-N 0 1 394.475 3.580 20 5 GHBDMN Cc1cc(N2CCC([C@@](C)(O)C(F)(F)F)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000547341940 930933259 /nfs/dbraw/zinc/93/32/59/930933259.db2.gz JCCDTPKGUUPEEJ-QGZVFWFLSA-N 0 1 383.370 3.981 20 5 GHBDMN O=[N+]([O-])c1ccc(-c2cnn(CN3CCC(CCCn4ccnc4)CC3)c2)cc1 ZINC000782943606 931370134 /nfs/dbraw/zinc/37/01/34/931370134.db2.gz XHCKHVQUEKSBDX-UHFFFAOYSA-N 0 1 394.479 3.805 20 5 GHBDMN Cc1ccc(C[N@@H+](CCO)Cc2ccc(Br)c([N+](=O)[O-])c2)cc1 ZINC000783603284 931592920 /nfs/dbraw/zinc/59/29/20/931592920.db2.gz PHZJGANBTMPHRX-UHFFFAOYSA-N 0 1 379.254 3.660 20 5 GHBDMN Cc1ccc(CN(CCO)Cc2ccc(Br)c([N+](=O)[O-])c2)cc1 ZINC000783603284 931592929 /nfs/dbraw/zinc/59/29/29/931592929.db2.gz PHZJGANBTMPHRX-UHFFFAOYSA-N 0 1 379.254 3.660 20 5 GHBDMN COc1cc(/C=C2/C(=O)Nc3c2cccc3Br)cc([N+](=O)[O-])c1O ZINC000783714442 931627273 /nfs/dbraw/zinc/62/72/73/931627273.db2.gz KNVDARYJUWVSGC-BJMVGYQFSA-N 0 1 391.177 3.564 20 5 GHBDMN COc1ccc([C@@H](C)[NH2+]Cc2cc([O-])ccc2[N+](=O)[O-])cc1Br ZINC000559147033 932462046 /nfs/dbraw/zinc/46/20/46/932462046.db2.gz KFCPZIFJYKVHMR-SNVBAGLBSA-N 0 1 381.226 3.922 20 5 GHBDMN C[C@@H](N[C@@H](C)c1ccc(-n2cccn2)c(F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000559339453 932613038 /nfs/dbraw/zinc/61/30/38/932613038.db2.gz LCHNXZIFMXNGJQ-UONOGXRCSA-N 0 1 397.410 3.597 20 5 GHBDMN O=[N+]([O-])c1ccn(CCN2CCCC[C@H]2Cc2ccccc2Br)n1 ZINC000559478981 932699077 /nfs/dbraw/zinc/69/90/77/932699077.db2.gz HAAHHYJRYXJXCE-HNNXBMFYSA-N 0 1 393.285 3.651 20 5 GHBDMN Cc1cccc(CN2CCCC[C@H]2C(=O)N2CCc3c2cccc3[N+](=O)[O-])c1 ZINC001116105506 933337595 /nfs/dbraw/zinc/33/75/95/933337595.db2.gz XVQJDYOKBSTFOM-NRFANRHFSA-N 0 1 379.460 3.847 20 5 GHBDMN CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC001116345804 933497242 /nfs/dbraw/zinc/49/72/42/933497242.db2.gz HMWXBRCQAVTGLJ-UHFFFAOYSA-N 0 1 379.298 3.784 20 5 GHBDMN COc1ccc(CCCN(C)Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)cc1 ZINC000777953621 934358822 /nfs/dbraw/zinc/35/88/22/934358822.db2.gz IGIRRHXNBHROMK-UHFFFAOYSA-N 0 1 380.448 3.989 20 5 GHBDMN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC000777953861 934369536 /nfs/dbraw/zinc/36/95/36/934369536.db2.gz AWMHPXFPXFZBHD-PBHICJAKSA-N 0 1 389.402 3.638 20 5 GHBDMN CCc1[nH]nc(C(=O)N2CC=C(c3cccc4ccccc43)CC2)c1[N+](=O)[O-] ZINC000561708754 934384932 /nfs/dbraw/zinc/38/49/32/934384932.db2.gz DMAJPBNWNKHMAA-UHFFFAOYSA-N 0 1 376.416 3.963 20 5 GHBDMN Cc1[nH]nc(C(=O)N2CCC(c3c(Cl)cccc3Cl)CC2)c1[N+](=O)[O-] ZINC000562207085 934759653 /nfs/dbraw/zinc/75/96/53/934759653.db2.gz KPIKXYAXGXEBAK-UHFFFAOYSA-N 0 1 383.235 3.953 20 5 GHBDMN C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NCc1c(F)cc([N+](=O)[O-])cc1F ZINC000829661687 935841097 /nfs/dbraw/zinc/84/10/97/935841097.db2.gz GQOYOMPTAREUKR-BDJLRTHQSA-N 0 1 385.411 3.608 20 5 GHBDMN Cc1cc(Cl)c(S(=O)(=O)Nc2ccc([C@@H]3CCOC3)cc2)cc1[N+](=O)[O-] ZINC000830008484 935889303 /nfs/dbraw/zinc/88/93/03/935889303.db2.gz CPNWBEDFZCAEMX-CYBMUJFWSA-N 0 1 396.852 3.861 20 5 GHBDMN CC[C@@H](C)COc1cc([N+](=O)[O-])c(C[N@H+]2C[C@H](C)[C@@](C)(C(=O)[O-])C2)cc1OC ZINC001594964178 982717558 /nfs/dbraw/zinc/71/75/58/982717558.db2.gz FXWARCQVWQWHJA-CKNLXJGOSA-N 0 1 394.468 3.571 20 5 GHBDMN CCC[N@@H+](Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)[C@@H]1CCc2ccccc2C1 ZINC001595899116 982948549 /nfs/dbraw/zinc/94/85/49/982948549.db2.gz DPCYRWKFCKWQIY-LJQANCHMSA-N 0 1 398.459 3.828 20 5 GHBDMN CC[N@@H+](Cc1ccc(Cl)cc1)Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001596359377 983834266 /nfs/dbraw/zinc/83/42/66/983834266.db2.gz GJMIWJAHYXXXOS-UHFFFAOYSA-N 0 1 378.812 3.734 20 5 GHBDMN CN(C)c1cccc(-c2noc(-c3cc(-c4cccc([N+](=O)[O-])c4)n[nH]3)n2)c1 ZINC001212995427 1032289522 /nfs/dbraw/zinc/28/95/22/1032289522.db2.gz ZBZNBQZSWHNEQP-UHFFFAOYSA-N 0 1 376.376 3.768 20 5 GHBDMN CCOC(=O)c1ccc(OC(C(=O)c2ccco2)c2ccco2)c([N+](=O)[O-])c1 ZINC001227297078 1032359834 /nfs/dbraw/zinc/35/98/34/1032359834.db2.gz KFTAJDQDYJKIDT-SFHVURJKSA-N 0 1 385.328 3.961 20 5 GHBDMN CCOC(=O)c1ccc(O[C@H](C(=O)c2ccco2)c2ccco2)c([N+](=O)[O-])c1 ZINC001227297078 1032359845 /nfs/dbraw/zinc/35/98/45/1032359845.db2.gz KFTAJDQDYJKIDT-SFHVURJKSA-N 0 1 385.328 3.961 20 5 GHBDMN O=c1oc2cc([O-])ccc2c2oc3cc(O[C@@H]4CCc5[nH+]ccn5C4)ccc3c21 ZINC001227516800 1032449085 /nfs/dbraw/zinc/44/90/85/1032449085.db2.gz FMBQGTUJBZRJDG-CQSZACIVSA-N 0 1 388.379 3.988 20 5 GHBDMN Cc1cc([N+](=O)[O-])ccc1CNCC(=O)Nc1ccc(Br)cc1C ZINC000570009871 1019548876 /nfs/dbraw/zinc/54/88/76/1019548876.db2.gz JNBCORCMLYFMOX-UHFFFAOYSA-N 0 1 392.253 3.702 20 5 GHBDMN COc1ccc2c(c1)C1(CC1)CN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C2 ZINC000571843907 1019719398 /nfs/dbraw/zinc/71/93/98/1019719398.db2.gz QKTINXDKUSXHRU-UHFFFAOYSA-N 0 1 395.459 3.788 20 5 GHBDMN O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccccc1Nc1ccncc1 ZINC001156431678 1033030969 /nfs/dbraw/zinc/03/09/69/1033030969.db2.gz AMMKBIWJXSNEII-UHFFFAOYSA-N 0 1 382.807 3.990 20 5 GHBDMN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC000754026345 1022431845 /nfs/dbraw/zinc/43/18/45/1022431845.db2.gz PPJPIAOYBPYNAZ-WLGQOEQESA-N 0 1 383.448 3.935 20 5 GHBDMN CCOc1cc(CN2CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000755067987 1023059408 /nfs/dbraw/zinc/05/94/08/1023059408.db2.gz VTGHYGMDZAIMLH-ZBFHGGJFSA-N 0 1 393.484 3.729 20 5 GHBDMN Cc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)cc1Cl ZINC000836782507 1023363556 /nfs/dbraw/zinc/36/35/56/1023363556.db2.gz WJWQIHHOHWAMHT-LBPRGKRZSA-N 0 1 389.843 3.572 20 5 GHBDMN Cc1nc2ccccc2n1C[C@H]1CCCN1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000755765857 1023368337 /nfs/dbraw/zinc/36/83/37/1023368337.db2.gz XRGBPFVXZGKXLB-GOSISDBHSA-N 0 1 390.447 3.725 20 5 GHBDMN CC(C)Oc1cc(COc2nc(C(F)(F)F)cc(O)c2[N+](=O)[O-])c(F)cn1 ZINC001228859570 1033143140 /nfs/dbraw/zinc/14/31/40/1033143140.db2.gz KZOWFHVRAYNMFB-UHFFFAOYSA-N 0 1 391.277 3.615 20 5 GHBDMN Cc1cccc([C@H]2CCN(C(=O)c3cc(-c4ccc([N+](=O)[O-])cc4)[nH]n3)C2)c1 ZINC001138179788 1024314101 /nfs/dbraw/zinc/31/41/01/1024314101.db2.gz ZTKYFXIBSWPYNJ-KRWDZBQOSA-N 0 1 376.416 3.923 20 5 GHBDMN O=[N+]([O-])c1cccc(OCCN2CCC([C@H](O)c3cc(F)ccc3F)CC2)c1 ZINC000839160954 1025667041 /nfs/dbraw/zinc/66/70/41/1025667041.db2.gz XGHVJASGZPQZFQ-FQEVSTJZSA-N 0 1 392.402 3.697 20 5 GHBDMN COC(=O)[C@@](C)(Nc1cc2ccc(Cl)nc2cc1[N+](=O)[O-])C(F)(F)F ZINC001162259737 1025694712 /nfs/dbraw/zinc/69/47/12/1025694712.db2.gz CSZCDQZUYMLTGD-CYBMUJFWSA-N 0 1 377.706 3.702 20 5 GHBDMN CC(C)(C)c1ccc(Oc2ccc(CN[C@@H]3COC[C@@H]3O)cc2[N+](=O)[O-])cc1 ZINC001203332534 1027279076 /nfs/dbraw/zinc/27/90/76/1027279076.db2.gz VXEXCPLSDWTUCB-MJGOQNOKSA-N 0 1 386.448 3.534 20 5 GHBDMN COc1ccc(I)cc1Nc1ccc(O)c([N+](=O)[O-])c1 ZINC001210398019 1027488668 /nfs/dbraw/zinc/48/86/68/1027488668.db2.gz MPUPUSVDQDGIPK-UHFFFAOYSA-N 0 1 386.145 3.657 20 5 GHBDMN O=C(OCc1ccccc1)c1cc(Nc2nonc2C2CC2)cc([N+](=O)[O-])c1 ZINC001211407764 1027945916 /nfs/dbraw/zinc/94/59/16/1027945916.db2.gz XMJLZGBXDPHBJV-UHFFFAOYSA-N 0 1 380.360 3.956 20 5 GHBDMN O=[N+]([O-])c1ccc(OC[C@H]2CN(Cc3ccccc3)CCCO2)c(F)c1F ZINC000842076445 1029057056 /nfs/dbraw/zinc/05/70/56/1029057056.db2.gz NHUWRUGINUREBV-OAHLLOKOSA-N 0 1 378.375 3.543 20 5 GHBDMN O=[N+]([O-])c1ccc(F)cc1-c1nc(-c2ncccc2/C=C/N2CCCC2)no1 ZINC001215773172 1029387586 /nfs/dbraw/zinc/38/75/86/1029387586.db2.gz ANAMIPZMRWTKMS-YRNVUSSQSA-N 0 1 381.367 3.912 20 5 GHBDMN Nc1ccc2cc3ccc(Nc4cncc(CN5CCOCC5)c4)cc3nc2c1 ZINC001216606083 1029700283 /nfs/dbraw/zinc/70/02/83/1029700283.db2.gz GGUXRPLFLKMCIO-UHFFFAOYSA-N 0 1 385.471 3.941 20 5 GHBDMN Cc1cc(C)c([N+](=O)[O-])cc1-c1nc(-c2cccc(N3CCN(C)CC3)c2)no1 ZINC001216835650 1029955636 /nfs/dbraw/zinc/95/56/36/1029955636.db2.gz ZTKSHEJPTNFECI-UHFFFAOYSA-N 0 1 393.447 3.680 20 5 GHBDMN Cc1ccc(C(=O)c2cc([O-])c(O[C@H]3CCC34CC[NH2+]CC4)c([N+](=O)[O-])c2)cc1 ZINC001218083544 1030761540 /nfs/dbraw/zinc/76/15/40/1030761540.db2.gz ROGKMMBVDFWASM-IBGZPJMESA-N 0 1 396.443 3.751 20 5 GHBDMN CCOC(=O)c1ccc(CO[C@H]2CC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001223964706 1030830200 /nfs/dbraw/zinc/83/02/00/1030830200.db2.gz WBAUSQUPIFTBRD-IBGZPJMESA-N 0 1 384.432 3.563 20 5 GHBDMN Cc1c(CNC(=O)N2C[C@@H](C)N(Cc3ccccc3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC001226215748 1031857969 /nfs/dbraw/zinc/85/79/69/1031857969.db2.gz FFFKUERDWPHIEX-IAGOWNOFSA-N 0 1 396.491 3.708 20 5 GHBDMN Cc1ccc([C@H](CNC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)N2CCCC2)o1 ZINC001205641304 1033507168 /nfs/dbraw/zinc/50/71/68/1033507168.db2.gz CSWPEYNKGOYRCY-INIZCTEOSA-N 0 1 376.388 3.594 20 5 GHBDMN COc1cc(F)c(F)cc1-c1noc(-c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)n1 ZINC001213008694 1033604225 /nfs/dbraw/zinc/60/42/25/1033604225.db2.gz YLHXVXFJKJGOFK-UHFFFAOYSA-N 0 1 399.313 3.989 20 5 GHBDMN N[C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)N1CCC[C@@](O)(CF)CC1 ZINC001157793565 1033774144 /nfs/dbraw/zinc/77/41/44/1033774144.db2.gz ORSIQXASZWQPBO-UPVQGACJSA-N 0 1 394.490 3.576 20 5 GHBDMN O=[N+]([O-])c1cccc2ncnc(O[C@@H]3CCCN(Cc4ccccc4F)C3)c21 ZINC001231054411 1034368500 /nfs/dbraw/zinc/36/85/00/1034368500.db2.gz AMXVROALPZYKRU-OAHLLOKOSA-N 0 1 382.395 3.721 20 5 GHBDMN C[C@@H](c1ccccn1)N1CCC[C@@H](Oc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC001231056491 1034369373 /nfs/dbraw/zinc/36/93/73/1034369373.db2.gz SSJVBVMDDMSFAT-LSDHHAIUSA-N 0 1 379.420 3.537 20 5 GHBDMN Cc1cc(O)c([N+](=O)[O-])c(O[C@@H](C(=O)OCc2ccccc2)c2ccccc2)n1 ZINC001231261034 1034489476 /nfs/dbraw/zinc/48/94/76/1034489476.db2.gz XOAQHARGLCWGLK-LJQANCHMSA-N 0 1 394.383 3.867 20 5 GHBDMN O=C(NCc1n[nH]c(C2CC2)n1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC001159380346 1034572262 /nfs/dbraw/zinc/57/22/62/1034572262.db2.gz OYPVDIFEOAKNHN-UHFFFAOYSA-N 0 1 395.444 3.672 20 5 GHBDMN CC(C)(C)OC(=O)N1C[C@@H]2CN(Cc3ccc4ccc5cccnc5c4n3)C[C@@H]21 ZINC001232225319 1035171278 /nfs/dbraw/zinc/17/12/78/1035171278.db2.gz ATZLLJCZPKWKJA-HKUYNNGSSA-N 0 1 390.487 3.834 20 5 GHBDMN COC(C)(C)c1nsc(NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])n1 ZINC001462062020 1069974509 /nfs/dbraw/zinc/97/45/09/1069974509.db2.gz UUIABSPAVZSVKA-UHFFFAOYSA-N 0 1 390.343 3.599 20 5 GHBDMN O=[N+]([O-])c1cccc(OCc2nc(-c3ncccc3/C=C/N3CCCC3)no2)c1 ZINC001247469922 1038205248 /nfs/dbraw/zinc/20/52/48/1038205248.db2.gz LEHOGJQNECGVIH-XYOKQWHBSA-N 0 1 393.403 3.685 20 5 GHBDMN C[C@@H](C[N+](C)(C)C)Oc1cc(C(=O)OC(C)(C)C)cc([O-])c1Br ZINC001233530973 1039416803 /nfs/dbraw/zinc/41/68/03/1039416803.db2.gz PTOQNZZQTGDYHC-NSHDSACASA-O 0 1 389.310 3.584 20 5 GHBDMN COc1cc(CC[N+](=O)[O-])ccc1O[C@@H]1CCCN(Cc2ccccc2F)C1 ZINC001233984161 1039742919 /nfs/dbraw/zinc/74/29/19/1039742919.db2.gz DNZAVJURSLDHRR-GOSISDBHSA-N 0 1 388.439 3.697 20 5 GHBDMN COC(=O)c1ccc(O[C@H]2CCCN(Cc3ccccc3F)C2)cc1[N+](=O)[O-] ZINC001234058350 1039792254 /nfs/dbraw/zinc/79/22/54/1039792254.db2.gz OMLKFTJGXXIAPG-INIZCTEOSA-N 0 1 388.395 3.564 20 5 GHBDMN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001254553768 1040323558 /nfs/dbraw/zinc/32/35/58/1040323558.db2.gz YVLVROGSTBOGQF-INIZCTEOSA-N 0 1 389.496 3.859 20 5 GHBDMN COc1ccc2ccccc2c1CCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001462691760 1070474940 /nfs/dbraw/zinc/47/49/40/1070474940.db2.gz HVENSYVMWCJATJ-UHFFFAOYSA-N 0 1 390.399 3.605 20 5 GHBDMN COc1ccc(C2(CNC(=O)c3cc(O)cc([N+](=O)[O-])c3)CCCCC2)cc1 ZINC001292013289 1043565622 /nfs/dbraw/zinc/56/56/22/1043565622.db2.gz OEVJVDQNNOJELD-UHFFFAOYSA-N 0 1 384.432 3.941 20 5 GHBDMN CCN(CC)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1SC)c1ccco1 ZINC001292282223 1043663957 /nfs/dbraw/zinc/66/39/57/1043663957.db2.gz UHNVIGRZCVDUBX-HNNXBMFYSA-N 0 1 377.466 3.723 20 5 GHBDMN C[C@H]1CN(CCc2nnc(-c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)o2)C[C@H](C)O1 ZINC001258118080 1044405824 /nfs/dbraw/zinc/40/58/24/1044405824.db2.gz ANRHWGBFZDCUDK-KBPBESRZSA-N 0 1 398.419 3.557 20 5 GHBDMN C[C@H](C(=O)N1CCC(c2ncc(C(F)(F)F)[nH]2)CC1)c1cccc([N+](=O)[O-])c1 ZINC001304048864 1047572709 /nfs/dbraw/zinc/57/27/09/1047572709.db2.gz OPNGNMWNHCGILX-NSHDSACASA-N 0 1 396.369 3.846 20 5 GHBDMN COc1cc(CN2CC[C@H](Nc3ccc(Cl)cc3[N+](=O)[O-])C2)cc(OC)c1 ZINC001306995053 1048996995 /nfs/dbraw/zinc/99/69/95/1048996995.db2.gz JPYWBUGJQGKBHK-HNNXBMFYSA-N 0 1 391.855 3.952 20 5 GHBDMN CC[C@H]1CN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC[C@@H]1c1ccccc1 ZINC001307519140 1049363318 /nfs/dbraw/zinc/36/33/18/1049363318.db2.gz AXEKADNEIWANIY-UWJYYQICSA-N 0 1 393.487 4.000 20 5 GHBDMN COc1ccc([N+](=O)[O-])c(C(=O)Nc2c(F)ccc(Br)c2F)c1 ZINC001289428204 1049485058 /nfs/dbraw/zinc/48/50/58/1049485058.db2.gz ZEIYATOWVKPFHF-UHFFFAOYSA-N 0 1 387.136 3.896 20 5 GHBDMN O=[N+]([O-])c1ccccc1CCNCc1nc2cc(Br)ccc2o1 ZINC001308389521 1049964890 /nfs/dbraw/zinc/96/48/90/1049964890.db2.gz CVEJTUNSRHVTRV-UHFFFAOYSA-N 0 1 376.210 3.831 20 5 GHBDMN O=[N+]([O-])c1cccc(Br)c1CNCCc1nc2c(s1)CCC2 ZINC001308514302 1049995261 /nfs/dbraw/zinc/99/52/61/1049995261.db2.gz WGJOBACEAGNZCO-UHFFFAOYSA-N 0 1 382.283 3.635 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(CN2CCC[C@@H](n3ccnn3)C2)o1 ZINC001328041747 1050370398 /nfs/dbraw/zinc/37/03/98/1050370398.db2.gz PJSFCBQJQJWWJQ-CQSZACIVSA-N 0 1 387.827 3.937 20 5 GHBDMN CC[C@H](NS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)c1ccccn1 ZINC001309873257 1051016430 /nfs/dbraw/zinc/01/64/30/1051016430.db2.gz WCNMOAPPSWKCAG-JTQLQIEISA-N 0 1 390.248 3.726 20 5 GHBDMN CC(C)(C)[C@@H]1CCC[C@@H]1NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC001475381183 1051377337 /nfs/dbraw/zinc/37/73/37/1051377337.db2.gz FUOSRZOIFKQTIH-PWSUYJOCSA-N 0 1 378.853 3.880 20 5 GHBDMN O=[N+]([O-])c1ccc(CN2CCC[C@@H](C[C@H]3CCOC3)C2)c(Br)c1 ZINC001342948734 1053452956 /nfs/dbraw/zinc/45/29/56/1053452956.db2.gz FZIOTOSLWAEVLR-UONOGXRCSA-N 0 1 383.286 3.996 20 5 GHBDMN Cc1ccc(CN2CCCN(C(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC001317976525 1054336771 /nfs/dbraw/zinc/33/67/71/1054336771.db2.gz LTKBFMFEGANCOJ-GOSISDBHSA-N 0 1 396.491 3.882 20 5 GHBDMN Cc1cccc(CN2CCCC[C@@H]2C(=O)NCCc2ccc([N+](=O)[O-])cc2)c1 ZINC001318644800 1054767588 /nfs/dbraw/zinc/76/75/88/1054767588.db2.gz UTOZZTSEUWLHTD-OAQYLSRUSA-N 0 1 381.476 3.617 20 5 GHBDMN CC[C@H](N[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1ccc(F)cc1 ZINC001320152764 1055677515 /nfs/dbraw/zinc/67/75/15/1055677515.db2.gz GDKBGKOJZJFILX-LRDDRELGSA-N 0 1 375.400 3.810 20 5 GHBDMN CNc1ccc(C(=O)N(C)[C@H](C)c2nc3ccc(Cl)cc3[nH]2)cc1[N+](=O)[O-] ZINC001449985531 1060497868 /nfs/dbraw/zinc/49/78/68/1060497868.db2.gz SWZNPRDIOJCGBP-SNVBAGLBSA-N 0 1 387.827 3.999 20 5 GHBDMN CC(C)CCSc1ccc(C(=O)N2CC[C@H](N3CCC3)C2)cc1[N+](=O)[O-] ZINC001453786797 1061207176 /nfs/dbraw/zinc/20/71/76/1061207176.db2.gz URSPFMZAWRODQZ-INIZCTEOSA-N 0 1 377.510 3.653 20 5 GHBDMN O=C(C=Cc1ccc([N+](=O)[O-])cc1)N1CCc2nc[nH]c2[C@@H]1c1ccc(F)cc1 ZINC001455314118 1062102449 /nfs/dbraw/zinc/10/24/49/1062102449.db2.gz IEEHSNCBIPLUCT-UJEPJJAZSA-N 0 1 392.390 3.645 20 5 GHBDMN CC[C@H](c1ccccc1)N1CCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC001435310177 1062497576 /nfs/dbraw/zinc/49/75/76/1062497576.db2.gz UJNBGCFPAPPODT-LJQANCHMSA-N 0 1 385.439 3.572 20 5 GHBDMN C[C@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3ccc4cncn4c3)cc2[N+](=O)[O-])C1 ZINC001456439763 1062683238 /nfs/dbraw/zinc/68/32/38/1062683238.db2.gz VCWCYBMGSAUVLX-GJZGRUSLSA-N 0 1 393.447 3.977 20 5 GHBDMN O=C(CCc1cc(F)ccc1[N+](=O)[O-])NC[C@H](c1ccco1)N1CCCCC1 ZINC001349247908 1063611133 /nfs/dbraw/zinc/61/11/33/1063611133.db2.gz BZAAVXNZHMOEBI-GOSISDBHSA-N 0 1 389.427 3.603 20 5 GHBDMN CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CCN(CC)[C@@H](C)C2)cc1OC ZINC001459773188 1064210161 /nfs/dbraw/zinc/21/01/61/1064210161.db2.gz ZGKQMYJGBHMLEN-CVEARBPZSA-N 0 1 379.501 3.554 20 5 GHBDMN CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCN(CC)[C@H](C)C2)cc1OC ZINC001459773205 1064210420 /nfs/dbraw/zinc/21/04/20/1064210420.db2.gz ZGKQMYJGBHMLEN-JKSUJKDBSA-N 0 1 379.501 3.554 20 5 GHBDMN COc1ccc([C@@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C2CCC2)cc1 ZINC001464724044 1065177228 /nfs/dbraw/zinc/17/72/28/1065177228.db2.gz QPQXQKQATZWXNO-KRWDZBQOSA-N 0 1 394.424 3.562 20 5 GHBDMN CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC001465075687 1065375068 /nfs/dbraw/zinc/37/50/68/1065375068.db2.gz DLCCRZJZMSCKPN-LBPRGKRZSA-N 0 1 383.876 3.584 20 5 GHBDMN Cc1ccc([C@H]2C[C@@H](C)N(CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C2)cc1 ZINC001473431530 1067559180 /nfs/dbraw/zinc/55/91/80/1067559180.db2.gz GCVGOTQXQBBMOU-APWZRJJASA-N 0 1 379.460 3.670 20 5 GHBDMN Cc1[nH]nc(C(=O)Nc2nnc(-c3cc(Cl)cc(Cl)c3)s2)c1[N+](=O)[O-] ZINC001470019957 1068526896 /nfs/dbraw/zinc/52/68/96/1068526896.db2.gz INXBXSHYCGKSJC-UHFFFAOYSA-N 0 1 399.219 3.704 20 5 GHBDMN CCN(CCOc1ccccc1C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC001460282149 1068905642 /nfs/dbraw/zinc/90/56/42/1068905642.db2.gz DNDFGMHYYBGJQD-KRWDZBQOSA-N 0 1 385.464 3.940 20 5 GHBDMN CC(C)(C)O[C@@H]1C[C@@H](NCc2nnc(-c3ccccc3[N+](=O)[O-])o2)C12CCC2 ZINC001460437190 1068965048 /nfs/dbraw/zinc/96/50/48/1068965048.db2.gz VIGVGTPSWOOZIR-HZPDHXFCSA-N 0 1 386.452 3.861 20 5 GHBDMN COc1cc(NC[C@@H]2CCCC[C@@H]2N2CCOCC2)c(Cl)cc1[N+](=O)[O-] ZINC001472878104 1073708668 /nfs/dbraw/zinc/70/86/68/1073708668.db2.gz KHTXSTVBIDGZCU-BBRMVZONSA-N 0 1 383.876 3.560 20 5 GHBDMN CCOC(=O)[C@]1(C(C)C)CCN(Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC001473426631 1073960298 /nfs/dbraw/zinc/96/02/98/1073960298.db2.gz FUQCEWUMFAVWSA-QGZVFWFLSA-N 0 1 399.285 3.769 20 5 GHBDMN CN(Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)[C@H](CO)CC(C)(C)C ZINC001473476779 1073982956 /nfs/dbraw/zinc/98/29/56/1073982956.db2.gz UWGCRQPFXQLFJP-LBPRGKRZSA-N 0 1 382.848 3.527 20 5 GHBDMN COc1cc([N+](=O)[O-])ccc1CN1CC[C@@H](C)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001473526459 1074002235 /nfs/dbraw/zinc/00/22/35/1074002235.db2.gz GIHVIYZPVNYDDS-ZBFHGGJFSA-N 0 1 393.484 3.586 20 5 GHBDMN CC1(C)[C@H](c2ccccc2F)CCN1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001473726529 1074110798 /nfs/dbraw/zinc/11/07/98/1074110798.db2.gz HCBCTLQIGVADDL-SFHVURJKSA-N 0 1 397.450 3.891 20 5 GHBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCc2cc(F)c(Br)cc2C1 ZINC001473826472 1074161851 /nfs/dbraw/zinc/16/18/51/1074161851.db2.gz GUHXNLQFFNXSCY-UHFFFAOYSA-N 0 1 381.201 3.760 20 5 GHBDMN O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)NC[C@H]2CCC=CCCC2)c1 ZINC001475770320 1075018226 /nfs/dbraw/zinc/01/82/26/1075018226.db2.gz PJGUHOFEVFXMAP-NSHDSACASA-N 0 1 376.837 3.802 20 5 GHBDMN C[N@@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)[C@H](C(=O)[O-])c1ccccc1 ZINC000833694436 604645473 /nfs/dbraw/zinc/64/54/73/604645473.db2.gz QYVSFABBSRRUKS-HNNXBMFYSA-N 0 1 379.210 3.615 20 5 GHBDMN