smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1[N+](=O)[O-] ZINC000362696344 300210802 /nfs/dbraw/zinc/21/08/02/300210802.db2.gz YGNPJPQMVNEXOE-AWEZNQCLSA-N 2 2 348.403 1.000 20 5 ECBDLP COc1ccc(C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1[N+](=O)[O-] ZINC000362696344 300210806 /nfs/dbraw/zinc/21/08/06/300210806.db2.gz YGNPJPQMVNEXOE-AWEZNQCLSA-N 2 2 348.403 1.000 20 5 ECBDLP Cc1cc[nH+]c(N2CC[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)c1 ZINC000164038998 436928903 /nfs/dbraw/zinc/92/89/03/436928903.db2.gz JDPNCWVPUHOWQX-OAHLLOKOSA-N 2 2 346.391 0.678 20 5 ECBDLP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176236165 437136543 /nfs/dbraw/zinc/13/65/43/437136543.db2.gz ZJASJFJUIGEFGB-OAHLLOKOSA-N 2 2 336.440 0.893 20 5 ECBDLP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176236165 437136549 /nfs/dbraw/zinc/13/65/49/437136549.db2.gz ZJASJFJUIGEFGB-OAHLLOKOSA-N 2 2 336.440 0.893 20 5 ECBDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000366127772 438023698 /nfs/dbraw/zinc/02/36/98/438023698.db2.gz PNZXHUIGMMMNFG-GFCCVEGCSA-N 2 2 333.392 0.888 20 5 ECBDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000366127772 438023704 /nfs/dbraw/zinc/02/37/04/438023704.db2.gz PNZXHUIGMMMNFG-GFCCVEGCSA-N 2 2 333.392 0.888 20 5 ECBDLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000358229851 438186510 /nfs/dbraw/zinc/18/65/10/438186510.db2.gz XQUVLAKLFRMDMB-BXUZGUMPSA-N 2 2 342.421 0.413 20 5 ECBDLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000358229851 438186514 /nfs/dbraw/zinc/18/65/14/438186514.db2.gz XQUVLAKLFRMDMB-BXUZGUMPSA-N 2 2 342.421 0.413 20 5 ECBDLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000442751527 438622109 /nfs/dbraw/zinc/62/21/09/438622109.db2.gz CCHNHEWKASFPIK-VHSXEESVSA-N 2 2 336.348 0.931 20 5 ECBDLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000442751527 438622111 /nfs/dbraw/zinc/62/21/11/438622111.db2.gz CCHNHEWKASFPIK-VHSXEESVSA-N 2 2 336.348 0.931 20 5 ECBDLP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC[N@@H+]1CC[C@H](O)C1 ZINC000599093266 439355526 /nfs/dbraw/zinc/35/55/26/439355526.db2.gz OBFHOAJNLVSYFW-WFASDCNBSA-N 2 2 336.392 0.968 20 5 ECBDLP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC[N@H+]1CC[C@H](O)C1 ZINC000599093266 439355530 /nfs/dbraw/zinc/35/55/30/439355530.db2.gz OBFHOAJNLVSYFW-WFASDCNBSA-N 2 2 336.392 0.968 20 5 ECBDLP CN1CC[N@H+](C)C[C@H]1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000570273560 439407845 /nfs/dbraw/zinc/40/78/45/439407845.db2.gz PCCMDBWGXQQZFH-CYBMUJFWSA-N 2 2 335.408 0.759 20 5 ECBDLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000570273560 439407848 /nfs/dbraw/zinc/40/78/48/439407848.db2.gz PCCMDBWGXQQZFH-CYBMUJFWSA-N 2 2 335.408 0.759 20 5 ECBDLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000593905332 439492442 /nfs/dbraw/zinc/49/24/42/439492442.db2.gz CCPNAYMXKHQNAW-OAHLLOKOSA-N 2 2 335.408 0.522 20 5 ECBDLP C[NH+](C)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C[C@@H]1O ZINC000563393218 322314230 /nfs/dbraw/zinc/31/42/30/322314230.db2.gz CFCYUDXTTYHENW-GJZGRUSLSA-N 2 2 345.359 0.527 20 5 ECBDLP Cc1nc(NC[C@H]2CC[N@H+]2C)nc(NC[C@@H]2CC[NH+]2C)c1[N+](=O)[O-] ZINC000895769779 586203841 /nfs/dbraw/zinc/20/38/41/586203841.db2.gz IMUFBEPQDNMHOK-NWDGAFQWSA-N 2 2 335.412 0.925 20 5 ECBDLP Cc1nc(NC[C@H]2CC[N@@H+]2C)nc(NC[C@@H]2CC[NH+]2C)c1[N+](=O)[O-] ZINC000895769779 586203844 /nfs/dbraw/zinc/20/38/44/586203844.db2.gz IMUFBEPQDNMHOK-NWDGAFQWSA-N 2 2 335.412 0.925 20 5 ECBDLP Cc1nc(NC[C@H]2CC[NH+]2C)nc(NC[C@@H]2CC[N@@H+]2C)c1[N+](=O)[O-] ZINC000895769779 586203845 /nfs/dbraw/zinc/20/38/45/586203845.db2.gz IMUFBEPQDNMHOK-NWDGAFQWSA-N 2 2 335.412 0.925 20 5 ECBDLP Cc1nc(NC[C@H]2CC[NH+]2C)nc(NC[C@@H]2CC[N@H+]2C)c1[N+](=O)[O-] ZINC000895769779 586203847 /nfs/dbraw/zinc/20/38/47/586203847.db2.gz IMUFBEPQDNMHOK-NWDGAFQWSA-N 2 2 335.412 0.925 20 5 ECBDLP Cc1nc(NC[C@H]2CC[N@H+]2C)nc(NC[C@H]2CC[NH+]2C)c1[N+](=O)[O-] ZINC000895769781 586203906 /nfs/dbraw/zinc/20/39/06/586203906.db2.gz IMUFBEPQDNMHOK-VXGBXAGGSA-N 2 2 335.412 0.925 20 5 ECBDLP Cc1nc(NC[C@H]2CC[N@@H+]2C)nc(NC[C@H]2CC[NH+]2C)c1[N+](=O)[O-] ZINC000895769781 586203909 /nfs/dbraw/zinc/20/39/09/586203909.db2.gz IMUFBEPQDNMHOK-VXGBXAGGSA-N 2 2 335.412 0.925 20 5 ECBDLP Cc1nc(NC[C@H]2CC[NH+]2C)nc(NC[C@H]2CC[N@@H+]2C)c1[N+](=O)[O-] ZINC000895769781 586203912 /nfs/dbraw/zinc/20/39/12/586203912.db2.gz IMUFBEPQDNMHOK-VXGBXAGGSA-N 2 2 335.412 0.925 20 5 ECBDLP Cc1nc(NC[C@H]2CC[NH+]2C)nc(NC[C@H]2CC[N@H+]2C)c1[N+](=O)[O-] ZINC000895769781 586203914 /nfs/dbraw/zinc/20/39/14/586203914.db2.gz IMUFBEPQDNMHOK-VXGBXAGGSA-N 2 2 335.412 0.925 20 5 ECBDLP O=C(N1CC[NH2+]CC[NH2+]CC1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000900475948 586636842 /nfs/dbraw/zinc/63/68/42/586636842.db2.gz USOSRVMMQGAQGI-UHFFFAOYSA-N 2 2 344.318 0.588 20 5 ECBDLP C[N@@H+]1CCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)[C@H](C[NH3+])C1 ZINC000843357937 589063715 /nfs/dbraw/zinc/06/37/15/589063715.db2.gz UCXOLMGDYKQGEM-SNVBAGLBSA-N 2 2 326.328 0.214 20 5 ECBDLP C[N@H+]1CCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)[C@H](C[NH3+])C1 ZINC000843357937 589063716 /nfs/dbraw/zinc/06/37/16/589063716.db2.gz UCXOLMGDYKQGEM-SNVBAGLBSA-N 2 2 326.328 0.214 20 5 ECBDLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000879355726 590581924 /nfs/dbraw/zinc/58/19/24/590581924.db2.gz KUIRHELNYWRBTP-HNNXBMFYSA-N 2 2 336.392 0.334 20 5 ECBDLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000879355726 590581925 /nfs/dbraw/zinc/58/19/25/590581925.db2.gz KUIRHELNYWRBTP-HNNXBMFYSA-N 2 2 336.392 0.334 20 5 ECBDLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)C1 ZINC001020980904 752396255 /nfs/dbraw/zinc/39/62/55/752396255.db2.gz VYYKRJZRNSYVJZ-XYPYZODXSA-N 2 2 347.379 0.339 20 5 ECBDLP C[C@@H]1CN(Cc2c([N+](=O)[O-])ncn2C)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000374597449 301115912 /nfs/dbraw/zinc/11/59/12/301115912.db2.gz UVOCJADSJDLLQB-CYBMUJFWSA-N 2 2 336.440 0.929 20 5 ECBDLP C[C@@H]1CN(Cc2c([N+](=O)[O-])ncn2C)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000374597449 301115913 /nfs/dbraw/zinc/11/59/13/301115913.db2.gz UVOCJADSJDLLQB-CYBMUJFWSA-N 2 2 336.440 0.929 20 5 ECBDLP C[NH+](C)CC(=O)N1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000178856768 437234949 /nfs/dbraw/zinc/23/49/49/437234949.db2.gz BTYFHDLVGFQLMQ-OAHLLOKOSA-N 2 2 336.392 0.334 20 5 ECBDLP CN1CC[N@H+](C)C[C@H]1C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000579104042 438980818 /nfs/dbraw/zinc/98/08/18/438980818.db2.gz ZZMYSQDNTGLBLZ-ZIAGYGMSSA-N 2 2 338.408 0.170 20 5 ECBDLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000579104042 438980824 /nfs/dbraw/zinc/98/08/24/438980824.db2.gz ZZMYSQDNTGLBLZ-ZIAGYGMSSA-N 2 2 338.408 0.170 20 5 ECBDLP Cc1nc(N2CC[NH+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)cc[nH+]1 ZINC000183777667 235222977 /nfs/dbraw/zinc/22/29/77/235222977.db2.gz BQCJQMZJFBXKMZ-AWEZNQCLSA-N 2 2 347.379 0.073 20 5 ECBDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cc([N+](=O)[O-])cnc3N)C2)CC1 ZINC000363869552 300301412 /nfs/dbraw/zinc/30/14/12/300301412.db2.gz RISWRALBVJBVFF-LLVKDONJSA-N 2 2 348.407 0.470 20 5 ECBDLP O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000090550732 436433202 /nfs/dbraw/zinc/43/32/02/436433202.db2.gz FMGMGIRJMINDNK-AWEZNQCLSA-N 2 2 336.392 0.411 20 5 ECBDLP O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000090550732 436433204 /nfs/dbraw/zinc/43/32/04/436433204.db2.gz FMGMGIRJMINDNK-AWEZNQCLSA-N 2 2 336.392 0.411 20 5 ECBDLP Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(CO)([NH2+]C(C)C)CC1 ZINC000602835848 439141852 /nfs/dbraw/zinc/14/18/52/439141852.db2.gz JPUPASGUNBDZKC-UHFFFAOYSA-N 2 2 325.413 0.925 20 5 ECBDLP C[C@H]1C[NH2+]C[C@@H]([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000592439012 439230986 /nfs/dbraw/zinc/23/09/86/439230986.db2.gz XRYJJLVQWCWSGU-NEPJUHHUSA-N 2 2 342.421 0.461 20 5 ECBDLP CCO[C@@H]1C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@H]1C[NH3+] ZINC000593736604 439458907 /nfs/dbraw/zinc/45/89/07/439458907.db2.gz CHDFGICSROYQMI-CZUORRHYSA-N 2 2 348.403 0.780 20 5 ECBDLP CCO[C@@H]1C[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@H]1C[NH3+] ZINC000593736604 439458912 /nfs/dbraw/zinc/45/89/12/439458912.db2.gz CHDFGICSROYQMI-CZUORRHYSA-N 2 2 348.403 0.780 20 5 ECBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000347111760 321231568 /nfs/dbraw/zinc/23/15/68/321231568.db2.gz OQUOWPWRBRDWKJ-UHFFFAOYSA-N 2 2 336.392 0.857 20 5 ECBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000347111760 321231569 /nfs/dbraw/zinc/23/15/69/321231569.db2.gz OQUOWPWRBRDWKJ-UHFFFAOYSA-N 2 2 336.392 0.857 20 5 ECBDLP C[N@@H+]1CCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)[C@@H](C[NH3+])C1 ZINC000843357935 589063774 /nfs/dbraw/zinc/06/37/74/589063774.db2.gz UCXOLMGDYKQGEM-JTQLQIEISA-N 2 2 326.328 0.214 20 5 ECBDLP C[N@H+]1CCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)[C@@H](C[NH3+])C1 ZINC000843357935 589063776 /nfs/dbraw/zinc/06/37/76/589063776.db2.gz UCXOLMGDYKQGEM-JTQLQIEISA-N 2 2 326.328 0.214 20 5 ECBDLP Cn1cnc([N+](=O)[O-])c1C[NH2+]C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000997039626 743159563 /nfs/dbraw/zinc/15/95/63/743159563.db2.gz DVAAGPYEEMNPOQ-UHFFFAOYSA-N 2 2 347.379 0.375 20 5 ECBDLP Cc1cc[nH+]c(N2CC[NH+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)c1 ZINC000164038892 436929391 /nfs/dbraw/zinc/92/93/91/436929391.db2.gz JDPNCWVPUHOWQX-HNNXBMFYSA-N 2 2 346.391 0.678 20 5 ECBDLP C[C@H]1CN(c2ncc([N+](=O)[O-])c(N)n2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000374256730 438199569 /nfs/dbraw/zinc/19/95/69/438199569.db2.gz XFBBVAXJIYSVRC-NSHDSACASA-N 2 2 335.412 0.572 20 5 ECBDLP C[C@H]1CN(c2ncc([N+](=O)[O-])c(N)n2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000374256730 438199576 /nfs/dbraw/zinc/19/95/76/438199576.db2.gz XFBBVAXJIYSVRC-NSHDSACASA-N 2 2 335.412 0.572 20 5 ECBDLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000422940675 438619204 /nfs/dbraw/zinc/61/92/04/438619204.db2.gz TYWXZPISIHICBG-SMDDNHRTSA-N 2 2 342.421 0.461 20 5 ECBDLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000442751523 438621779 /nfs/dbraw/zinc/62/17/79/438621779.db2.gz CCHNHEWKASFPIK-NXEZZACHSA-N 2 2 336.348 0.931 20 5 ECBDLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000442751523 438621782 /nfs/dbraw/zinc/62/17/82/438621782.db2.gz CCHNHEWKASFPIK-NXEZZACHSA-N 2 2 336.348 0.931 20 5 ECBDLP O=C(N1CC[NH2+]CC1)N1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000600713694 439693379 /nfs/dbraw/zinc/69/33/79/439693379.db2.gz KSXNEXNJKGTPOP-UHFFFAOYSA-N 2 2 347.419 0.780 20 5 ECBDLP Cc1cc[nH+]cc1N1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000340107574 321017135 /nfs/dbraw/zinc/01/71/35/321017135.db2.gz YGNONZKYJMOSIY-OAHLLOKOSA-N 2 2 346.391 0.678 20 5 ECBDLP O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C[C@@H](O)C[NH+]3CCCC3)C2)nc1 ZINC000749323221 579336563 /nfs/dbraw/zinc/33/65/63/579336563.db2.gz FBCODCMYSQGKLC-HIFRSBDPSA-N 2 2 335.408 0.933 20 5 ECBDLP O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C[C@@H](O)C[NH+]3CCCC3)C2)nc1 ZINC000749323221 579336564 /nfs/dbraw/zinc/33/65/64/579336564.db2.gz FBCODCMYSQGKLC-HIFRSBDPSA-N 2 2 335.408 0.933 20 5 ECBDLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000863571511 590024528 /nfs/dbraw/zinc/02/45/28/590024528.db2.gz ZVKYZFOXEIIIOD-LSDHHAIUSA-N 2 2 336.392 0.558 20 5 ECBDLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000863571511 590024530 /nfs/dbraw/zinc/02/45/30/590024530.db2.gz ZVKYZFOXEIIIOD-LSDHHAIUSA-N 2 2 336.392 0.558 20 5 ECBDLP Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001020635305 751921973 /nfs/dbraw/zinc/92/19/73/751921973.db2.gz PZJLEQQFTPPJQH-MGCOHNPYSA-N 2 2 333.352 0.031 20 5 ECBDLP CC[N@H+](CCO)CCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450683981 211337693 /nfs/dbraw/zinc/33/76/93/211337693.db2.gz RAYBYQLQSICAKQ-UHFFFAOYSA-N 2 2 347.375 0.825 20 5 ECBDLP CC[N@@H+](CCO)CCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450683981 211337697 /nfs/dbraw/zinc/33/76/97/211337697.db2.gz RAYBYQLQSICAKQ-UHFFFAOYSA-N 2 2 347.375 0.825 20 5 ECBDLP C[NH+](C)CC(=O)N1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000178856753 437236173 /nfs/dbraw/zinc/23/61/73/437236173.db2.gz BTYFHDLVGFQLMQ-HNNXBMFYSA-N 2 2 336.392 0.334 20 5 ECBDLP O=C(NC[C@@H]1C[NH2+]CCO1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000423992653 437873983 /nfs/dbraw/zinc/87/39/83/437873983.db2.gz PEMJFFLFSBNFNY-LBPRGKRZSA-N 2 2 331.332 0.499 20 5 ECBDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)Cn3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000369273671 438446422 /nfs/dbraw/zinc/44/64/22/438446422.db2.gz IKSLYTQFULBQKJ-LBPRGKRZSA-N 2 2 336.396 0.076 20 5 ECBDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)Cn3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000369273671 438446428 /nfs/dbraw/zinc/44/64/28/438446428.db2.gz IKSLYTQFULBQKJ-LBPRGKRZSA-N 2 2 336.396 0.076 20 5 ECBDLP C[C@@H]([NH3+])[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCO1 ZINC000592307403 439198830 /nfs/dbraw/zinc/19/88/30/439198830.db2.gz HVIRRZJVJLKMDL-IAQYHMDHSA-N 2 2 345.359 0.969 20 5 ECBDLP [NH3+]Cc1cc(=O)[nH]c(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)n1 ZINC000600777697 439700829 /nfs/dbraw/zinc/70/08/29/439700829.db2.gz WCZDDCSETJKLCI-UHFFFAOYSA-N 2 2 347.331 0.610 20 5 ECBDLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000362840162 300226474 /nfs/dbraw/zinc/22/64/74/300226474.db2.gz RTWDLXOZIJKUOX-OAHLLOKOSA-N 2 2 348.403 0.870 20 5 ECBDLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000362840162 300226477 /nfs/dbraw/zinc/22/64/77/300226477.db2.gz RTWDLXOZIJKUOX-OAHLLOKOSA-N 2 2 348.403 0.870 20 5 ECBDLP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000131563071 436854331 /nfs/dbraw/zinc/85/43/31/436854331.db2.gz NEQUTNPJHPVFRT-ZDUSSCGKSA-N 2 2 336.396 0.205 20 5 ECBDLP NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000131563071 436854333 /nfs/dbraw/zinc/85/43/33/436854333.db2.gz NEQUTNPJHPVFRT-ZDUSSCGKSA-N 2 2 336.396 0.205 20 5 ECBDLP CN(c1ncc([N+](=O)[O-])c(N)n1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363063408 437766406 /nfs/dbraw/zinc/76/64/06/437766406.db2.gz AYTKAGJDSOBUII-GFCCVEGCSA-N 2 2 335.412 0.572 20 5 ECBDLP CN(c1ncc([N+](=O)[O-])c(N)n1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363063408 437766409 /nfs/dbraw/zinc/76/64/09/437766409.db2.gz AYTKAGJDSOBUII-GFCCVEGCSA-N 2 2 335.412 0.572 20 5 ECBDLP C[NH+]1CCN(C(=O)C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)CC1 ZINC000602966030 439171447 /nfs/dbraw/zinc/17/14/47/439171447.db2.gz VCZJLGJBFHNEPT-INIZCTEOSA-N 2 2 336.392 0.166 20 5 ECBDLP C[C@H]([NH3+])[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCO1 ZINC000592307405 439198775 /nfs/dbraw/zinc/19/87/75/439198775.db2.gz HVIRRZJVJLKMDL-XHDPSFHLSA-N 2 2 345.359 0.969 20 5 ECBDLP O=C([C@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1)N1CC[NH2+]CC1 ZINC000593724983 439455173 /nfs/dbraw/zinc/45/51/73/439455173.db2.gz DEWBKCKTIINNRH-ZDUSSCGKSA-N 2 2 348.403 0.944 20 5 ECBDLP O=C([C@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1)N1CC[NH2+]CC1 ZINC000593724983 439455170 /nfs/dbraw/zinc/45/51/70/439455170.db2.gz DEWBKCKTIINNRH-ZDUSSCGKSA-N 2 2 348.403 0.944 20 5 ECBDLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000593905330 439492566 /nfs/dbraw/zinc/49/25/66/439492566.db2.gz CCPNAYMXKHQNAW-HNNXBMFYSA-N 2 2 335.408 0.522 20 5 ECBDLP C[NH2+]CCOCC[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000600730328 439695223 /nfs/dbraw/zinc/69/52/23/439695223.db2.gz LULFMWWUEPYRQQ-UHFFFAOYSA-N 2 2 336.392 0.652 20 5 ECBDLP C[NH2+]CCOCC[N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000600730328 439695226 /nfs/dbraw/zinc/69/52/26/439695226.db2.gz LULFMWWUEPYRQQ-UHFFFAOYSA-N 2 2 336.392 0.652 20 5 ECBDLP C[NH+]1CCN(C[C@H](O)C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000819150264 587470652 /nfs/dbraw/zinc/47/06/52/587470652.db2.gz OJYHNTNYMOCQGA-CQSZACIVSA-N 2 2 342.827 0.946 20 5 ECBDLP C[NH+](C)CC1(O)CC[NH+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000931484759 611544880 /nfs/dbraw/zinc/54/48/80/611544880.db2.gz WVOFEMJAYTUJGS-UHFFFAOYSA-N 2 2 336.392 0.922 20 5 ECBDLP C[N@@H+]1CC[C@](O)(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000358041105 438130290 /nfs/dbraw/zinc/13/02/90/438130290.db2.gz FJWXKUJOSJDSSI-INIZCTEOSA-N 2 2 345.359 0.577 20 5 ECBDLP C[N@H+]1CC[C@](O)(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000358041105 438130293 /nfs/dbraw/zinc/13/02/93/438130293.db2.gz FJWXKUJOSJDSSI-INIZCTEOSA-N 2 2 345.359 0.577 20 5 ECBDLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000422940672 438619159 /nfs/dbraw/zinc/61/91/59/438619159.db2.gz TYWXZPISIHICBG-BXUZGUMPSA-N 2 2 342.421 0.461 20 5 ECBDLP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000594822194 439622244 /nfs/dbraw/zinc/62/22/44/439622244.db2.gz SBZHDSYJOYGSHJ-UHFFFAOYSA-N 2 2 345.425 0.152 20 5 ECBDLP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000594822194 439622246 /nfs/dbraw/zinc/62/22/46/439622246.db2.gz SBZHDSYJOYGSHJ-UHFFFAOYSA-N 2 2 345.425 0.152 20 5 ECBDLP Cn1cc[nH+]c1[C@H](NC[C@@H](O)C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000353499838 321395740 /nfs/dbraw/zinc/39/57/40/321395740.db2.gz DOGLEGLURRNEPB-HUUCEWRRSA-N 2 2 333.392 0.930 20 5 ECBDLP O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C2CCN(c3cccc[nH+]3)CC2)c1 ZINC000569669122 322660706 /nfs/dbraw/zinc/66/07/06/322660706.db2.gz ORGQWLFDMLXBTJ-OAHLLOKOSA-N 2 2 346.391 0.806 20 5 ECBDLP O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](C[C@H](O)C[NH+]3CCCC3)C2)nc1 ZINC000749323219 579336558 /nfs/dbraw/zinc/33/65/58/579336558.db2.gz FBCODCMYSQGKLC-DZGCQCFKSA-N 2 2 335.408 0.933 20 5 ECBDLP O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](C[C@H](O)C[NH+]3CCCC3)C2)nc1 ZINC000749323219 579336559 /nfs/dbraw/zinc/33/65/59/579336559.db2.gz FBCODCMYSQGKLC-DZGCQCFKSA-N 2 2 335.408 0.933 20 5 ECBDLP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000261719897 165231692 /nfs/dbraw/zinc/23/16/92/165231692.db2.gz QNIGVNLSQYRNIQ-LBPRGKRZSA-N 2 2 349.391 0.320 20 5 ECBDLP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000261719897 165231696 /nfs/dbraw/zinc/23/16/96/165231696.db2.gz QNIGVNLSQYRNIQ-LBPRGKRZSA-N 2 2 349.391 0.320 20 5 ECBDLP COc1ccc(NC(=O)CC[N@@H+]2CCO[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000358123773 438159867 /nfs/dbraw/zinc/15/98/67/438159867.db2.gz NOTLJRFBIHYBCJ-GFCCVEGCSA-N 2 2 338.364 0.592 20 5 ECBDLP COc1ccc(NC(=O)CC[N@H+]2CCO[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000358123773 438159869 /nfs/dbraw/zinc/15/98/69/438159869.db2.gz NOTLJRFBIHYBCJ-GFCCVEGCSA-N 2 2 338.364 0.592 20 5 ECBDLP C[NH+]1CCN(C(=O)C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)CC1 ZINC000369691339 438506570 /nfs/dbraw/zinc/50/65/70/438506570.db2.gz HKSHAKPTRFJWSM-UHFFFAOYSA-N 2 2 336.396 0.202 20 5 ECBDLP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422979030 438623802 /nfs/dbraw/zinc/62/38/02/438623802.db2.gz IQVRATVKBOGKJD-QWRGUYRKSA-N 2 2 328.394 0.343 20 5 ECBDLP C[N@@H+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C[NH3+])C1 ZINC000579474680 439010607 /nfs/dbraw/zinc/01/06/07/439010607.db2.gz IRSYZVNHSRBWQJ-LBPRGKRZSA-N 2 2 326.784 0.892 20 5 ECBDLP C[N@H+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C[NH3+])C1 ZINC000579474680 439010613 /nfs/dbraw/zinc/01/06/13/439010613.db2.gz IRSYZVNHSRBWQJ-LBPRGKRZSA-N 2 2 326.784 0.892 20 5 ECBDLP C[C@@H]1C[N@H+](Cc2cn(C)nc2[N+](=O)[O-])CC[C@H]1N1CC[NH+](C)CC1 ZINC000602485779 439098632 /nfs/dbraw/zinc/09/86/32/439098632.db2.gz ZKVKOHCKOBIWBB-UKRRQHHQSA-N 2 2 336.440 0.786 20 5 ECBDLP C[C@@H]1C[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])CC[C@H]1N1CC[NH+](C)CC1 ZINC000602485779 439098634 /nfs/dbraw/zinc/09/86/34/439098634.db2.gz ZKVKOHCKOBIWBB-UKRRQHHQSA-N 2 2 336.440 0.786 20 5 ECBDLP CN1CC[N@H+](C)C[C@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602544205 439108286 /nfs/dbraw/zinc/10/82/86/439108286.db2.gz FTXOCOSRSIAPBN-MRXNPFEDSA-N 2 2 348.451 0.794 20 5 ECBDLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602544205 439108291 /nfs/dbraw/zinc/10/82/91/439108291.db2.gz FTXOCOSRSIAPBN-MRXNPFEDSA-N 2 2 348.451 0.794 20 5 ECBDLP C[N@@H+]1CCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)[C@H](C[NH3+])C1 ZINC000567047107 439108627 /nfs/dbraw/zinc/10/86/27/439108627.db2.gz KHFYLMUHVVFMIQ-LLVKDONJSA-N 2 2 345.359 0.564 20 5 ECBDLP C[N@H+]1CCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)[C@H](C[NH3+])C1 ZINC000567047107 439108630 /nfs/dbraw/zinc/10/86/30/439108630.db2.gz KHFYLMUHVVFMIQ-LLVKDONJSA-N 2 2 345.359 0.564 20 5 ECBDLP O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C2CCN(c3cccc[nH+]3)CC2)c1 ZINC000569669121 322660784 /nfs/dbraw/zinc/66/07/84/322660784.db2.gz ORGQWLFDMLXBTJ-HNNXBMFYSA-N 2 2 346.391 0.806 20 5 ECBDLP CC(C)[NH2+]C1(CO)CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000571892241 322735861 /nfs/dbraw/zinc/73/58/61/322735861.db2.gz FDBPTIIFNXJFFL-UHFFFAOYSA-N 2 2 338.408 0.581 20 5 ECBDLP CC[N@H+](CCO)CCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000183988912 528547431 /nfs/dbraw/zinc/54/74/31/528547431.db2.gz IUUSDILRFBMWMA-UHFFFAOYSA-N 2 2 347.375 0.825 20 5 ECBDLP CC[N@@H+](CCO)CCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000183988912 528547434 /nfs/dbraw/zinc/54/74/34/528547434.db2.gz IUUSDILRFBMWMA-UHFFFAOYSA-N 2 2 347.375 0.825 20 5 ECBDLP Cn1cc[nH+]c1N1CC[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000266934605 437267162 /nfs/dbraw/zinc/26/71/62/437267162.db2.gz PJUNWJDFEGZFDZ-UHFFFAOYSA-N 2 2 344.375 0.749 20 5 ECBDLP [NH3+][C@@H]1CC[C@H]2C[N@H+](CC(=O)Nc3cc4c(cc3[N+](=O)[O-])OCO4)C[C@H]12 ZINC000351479260 438267050 /nfs/dbraw/zinc/26/70/50/438267050.db2.gz QXWZPUJKAKKNBW-GARJFASQSA-N 2 2 348.359 0.931 20 5 ECBDLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CC(=O)Nc3cc4c(cc3[N+](=O)[O-])OCO4)C[C@H]12 ZINC000351479260 438267055 /nfs/dbraw/zinc/26/70/55/438267055.db2.gz QXWZPUJKAKKNBW-GARJFASQSA-N 2 2 348.359 0.931 20 5 ECBDLP C[C@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]1 ZINC000422936409 438619307 /nfs/dbraw/zinc/61/93/07/438619307.db2.gz MIXCPOSLIYYOKE-FZMZJTMJSA-N 2 2 342.421 0.603 20 5 ECBDLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000422950014 438620052 /nfs/dbraw/zinc/62/00/52/438620052.db2.gz WZODHWYLOFDQBJ-BXUZGUMPSA-N 2 2 342.421 0.461 20 5 ECBDLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422979796 438623022 /nfs/dbraw/zinc/62/30/22/438623022.db2.gz KGWZKQPEDXBCRQ-VXGBXAGGSA-N 2 2 342.421 0.461 20 5 ECBDLP Cc1nc([N+](=O)[O-])cn1CC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000597989842 439206484 /nfs/dbraw/zinc/20/64/84/439206484.db2.gz KDXSLJBWSAPIOP-UHFFFAOYSA-N 2 2 326.401 0.099 20 5 ECBDLP Cc1nc([N+](=O)[O-])cn1CC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000597989842 439206486 /nfs/dbraw/zinc/20/64/86/439206486.db2.gz KDXSLJBWSAPIOP-UHFFFAOYSA-N 2 2 326.401 0.099 20 5 ECBDLP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC[N@@H+]1CC[C@H](O)C1 ZINC000599093247 439355212 /nfs/dbraw/zinc/35/52/12/439355212.db2.gz NEVZCRZJQPBSPU-DOMZBBRYSA-N 2 2 336.392 0.968 20 5 ECBDLP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC[N@H+]1CC[C@H](O)C1 ZINC000599093247 439355216 /nfs/dbraw/zinc/35/52/16/439355216.db2.gz NEVZCRZJQPBSPU-DOMZBBRYSA-N 2 2 336.392 0.968 20 5 ECBDLP [NH3+]C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCCO1 ZINC000568392284 322626707 /nfs/dbraw/zinc/62/67/07/322626707.db2.gz PWUACMJIDCOJBY-CYBMUJFWSA-N 2 2 345.359 0.970 20 5 ECBDLP CN(C(=O)c1c[nH]nc1[N+](=O)[O-])[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000619789008 546369614 /nfs/dbraw/zinc/36/96/14/546369614.db2.gz POTGZTSHTLUWSA-LBPRGKRZSA-N 2 2 336.396 0.558 20 5 ECBDLP CN(C(=O)c1c[nH]nc1[N+](=O)[O-])[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000619789008 546369616 /nfs/dbraw/zinc/36/96/16/546369616.db2.gz POTGZTSHTLUWSA-LBPRGKRZSA-N 2 2 336.396 0.558 20 5 ECBDLP Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001022976982 736351580 /nfs/dbraw/zinc/35/15/80/736351580.db2.gz PSUFHARWUXNAKE-PHIMTYICSA-N 2 2 347.379 0.041 20 5 ECBDLP [NH3+]CCOCC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000357070382 299511749 /nfs/dbraw/zinc/51/17/49/299511749.db2.gz BBSUJGSEKIAVPN-UHFFFAOYSA-N 2 2 328.394 0.389 20 5 ECBDLP C[N@@H+]1CCC[C@H](N2CC[NH+](CCn3cc([N+](=O)[O-])ccc3=O)CC2)C1 ZINC000090554346 436433374 /nfs/dbraw/zinc/43/33/74/436433374.db2.gz NMEDWBLPIZEAGW-HNNXBMFYSA-N 2 2 349.435 0.468 20 5 ECBDLP C[N@H+]1CCC[C@H](N2CC[NH+](CCn3cc([N+](=O)[O-])ccc3=O)CC2)C1 ZINC000090554346 436433377 /nfs/dbraw/zinc/43/33/77/436433377.db2.gz NMEDWBLPIZEAGW-HNNXBMFYSA-N 2 2 349.435 0.468 20 5 ECBDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000090003678 436426200 /nfs/dbraw/zinc/42/62/00/436426200.db2.gz RWHZIGKHXSBAMQ-ZFWWWQNUSA-N 2 2 348.407 0.840 20 5 ECBDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000090003678 436426202 /nfs/dbraw/zinc/42/62/02/436426202.db2.gz RWHZIGKHXSBAMQ-ZFWWWQNUSA-N 2 2 348.407 0.840 20 5 ECBDLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000358229854 438186665 /nfs/dbraw/zinc/18/66/65/438186665.db2.gz XQUVLAKLFRMDMB-RISCZKNCSA-N 2 2 342.421 0.413 20 5 ECBDLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000358229854 438186669 /nfs/dbraw/zinc/18/66/69/438186669.db2.gz XQUVLAKLFRMDMB-RISCZKNCSA-N 2 2 342.421 0.413 20 5 ECBDLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000422940674 438617914 /nfs/dbraw/zinc/61/79/14/438617914.db2.gz TYWXZPISIHICBG-RISCZKNCSA-N 2 2 342.421 0.461 20 5 ECBDLP CC(C)C[NH2+]C1(CO)CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000595512785 438812429 /nfs/dbraw/zinc/81/24/29/438812429.db2.gz YKNKNBYWHLEUKJ-UHFFFAOYSA-N 2 2 325.413 0.864 20 5 ECBDLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000516533150 438912489 /nfs/dbraw/zinc/91/24/89/438912489.db2.gz WCNJIQLSJKRPKZ-LSDHHAIUSA-N 2 2 341.412 0.099 20 5 ECBDLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000516533150 438912495 /nfs/dbraw/zinc/91/24/95/438912495.db2.gz WCNJIQLSJKRPKZ-LSDHHAIUSA-N 2 2 341.412 0.099 20 5 ECBDLP CN1CC[N@H+](C)C[C@H]1C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000579104040 438981113 /nfs/dbraw/zinc/98/11/13/438981113.db2.gz ZZMYSQDNTGLBLZ-KGLIPLIRSA-N 2 2 338.408 0.170 20 5 ECBDLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000579104040 438981117 /nfs/dbraw/zinc/98/11/17/438981117.db2.gz ZZMYSQDNTGLBLZ-KGLIPLIRSA-N 2 2 338.408 0.170 20 5 ECBDLP CC[N@H+](CCO)CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602617243 439117843 /nfs/dbraw/zinc/11/78/43/439117843.db2.gz BVAOSLVRHKKYML-UHFFFAOYSA-N 2 2 337.424 0.862 20 5 ECBDLP CC[N@@H+](CCO)CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602617243 439117846 /nfs/dbraw/zinc/11/78/46/439117846.db2.gz BVAOSLVRHKKYML-UHFFFAOYSA-N 2 2 337.424 0.862 20 5 ECBDLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000570273566 439407053 /nfs/dbraw/zinc/40/70/53/439407053.db2.gz PCCMDBWGXQQZFH-ZDUSSCGKSA-N 2 2 335.408 0.759 20 5 ECBDLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000570273566 439407058 /nfs/dbraw/zinc/40/70/58/439407058.db2.gz PCCMDBWGXQQZFH-ZDUSSCGKSA-N 2 2 335.408 0.759 20 5 ECBDLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000593902019 439489877 /nfs/dbraw/zinc/48/98/77/439489877.db2.gz MNNZWVLMXMHKOP-ZDUSSCGKSA-N 2 2 335.408 0.522 20 5 ECBDLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000593905982 439492804 /nfs/dbraw/zinc/49/28/04/439492804.db2.gz QVPGUXJKEXVHAU-AAEUAGOBSA-N 2 2 336.396 0.282 20 5 ECBDLP O=C(N1CC[NH2+]CC1)N1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000600712869 439694379 /nfs/dbraw/zinc/69/43/79/439694379.db2.gz BVYABOPZTRQFQM-UHFFFAOYSA-N 2 2 333.392 0.738 20 5 ECBDLP CN(C(=O)c1n[nH]cc1[N+](=O)[O-])[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000362115301 300163890 /nfs/dbraw/zinc/16/38/90/300163890.db2.gz CDIOCSMFCAGZMY-LBPRGKRZSA-N 2 2 336.396 0.558 20 5 ECBDLP CN(C(=O)c1n[nH]cc1[N+](=O)[O-])[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000362115301 300163893 /nfs/dbraw/zinc/16/38/93/300163893.db2.gz CDIOCSMFCAGZMY-LBPRGKRZSA-N 2 2 336.396 0.558 20 5 ECBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCO[C@H](C[NH3+])C1 ZINC000358131572 438163590 /nfs/dbraw/zinc/16/35/90/438163590.db2.gz VUBWKDPQYLHDND-GFCCVEGCSA-N 2 2 338.364 0.592 20 5 ECBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCO[C@H](C[NH3+])C1 ZINC000358131572 438163595 /nfs/dbraw/zinc/16/35/95/438163595.db2.gz VUBWKDPQYLHDND-GFCCVEGCSA-N 2 2 338.364 0.592 20 5 ECBDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccnc(N)c3[N+](=O)[O-])C2)CC1 ZINC000594287438 439535682 /nfs/dbraw/zinc/53/56/82/439535682.db2.gz AUMXQCYMSVKQIX-LLVKDONJSA-N 2 2 348.407 0.470 20 5 ECBDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccnc(N)c3[N+](=O)[O-])C2)CC1 ZINC000594287438 439535685 /nfs/dbraw/zinc/53/56/85/439535685.db2.gz AUMXQCYMSVKQIX-LLVKDONJSA-N 2 2 348.407 0.470 20 5 ECBDLP CN1CC[N@H+](C)C[C@H]1C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000573597858 439654608 /nfs/dbraw/zinc/65/46/08/439654608.db2.gz WZRBOQNXLRDDRC-CABCVRRESA-N 2 2 338.408 0.170 20 5 ECBDLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000573597858 439654613 /nfs/dbraw/zinc/65/46/13/439654613.db2.gz WZRBOQNXLRDDRC-CABCVRRESA-N 2 2 338.408 0.170 20 5 ECBDLP COC(=O)COc1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000261774159 165242629 /nfs/dbraw/zinc/24/26/29/165242629.db2.gz DZKXSZHNMBTKSI-BETUJISGSA-N 2 2 335.360 0.798 20 5 ECBDLP COC(=O)COc1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000261774159 165242631 /nfs/dbraw/zinc/24/26/31/165242631.db2.gz DZKXSZHNMBTKSI-BETUJISGSA-N 2 2 335.360 0.798 20 5 ECBDLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000162632475 436909995 /nfs/dbraw/zinc/90/99/95/436909995.db2.gz DAEFKPBRVPVMDU-ZDUSSCGKSA-N 2 2 336.396 0.030 20 5 ECBDLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000162632475 436910000 /nfs/dbraw/zinc/91/00/00/436910000.db2.gz DAEFKPBRVPVMDU-ZDUSSCGKSA-N 2 2 336.396 0.030 20 5 ECBDLP [NH3+][C@@H]1CC[C@H]2C[N@H+](CC(=O)Nc3cc4c(cc3[N+](=O)[O-])OCO4)C[C@@H]12 ZINC000351479262 438267081 /nfs/dbraw/zinc/26/70/81/438267081.db2.gz QXWZPUJKAKKNBW-HBNTYKKESA-N 2 2 348.359 0.931 20 5 ECBDLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CC(=O)Nc3cc4c(cc3[N+](=O)[O-])OCO4)C[C@@H]12 ZINC000351479262 438267084 /nfs/dbraw/zinc/26/70/84/438267084.db2.gz QXWZPUJKAKKNBW-HBNTYKKESA-N 2 2 348.359 0.931 20 5 ECBDLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000422950015 438620090 /nfs/dbraw/zinc/62/00/90/438620090.db2.gz WZODHWYLOFDQBJ-FZMZJTMJSA-N 2 2 342.421 0.461 20 5 ECBDLP COc1cc(C[N@H+](C)C[C@@H](O)C[NH3+])c([N+](=O)[O-])cc1OCC(F)F ZINC000415065996 438728748 /nfs/dbraw/zinc/72/87/48/438728748.db2.gz IGWGLXSKVATAJN-JTQLQIEISA-N 2 2 349.334 0.999 20 5 ECBDLP COc1cc(C[N@@H+](C)C[C@@H](O)C[NH3+])c([N+](=O)[O-])cc1OCC(F)F ZINC000415065996 438728750 /nfs/dbraw/zinc/72/87/50/438728750.db2.gz IGWGLXSKVATAJN-JTQLQIEISA-N 2 2 349.334 0.999 20 5 ECBDLP C[NH+]1CCC([N@@H+]2CC[C@@H](Nc3nccc(C(N)=O)c3[N+](=O)[O-])C2)CC1 ZINC000589572732 438877639 /nfs/dbraw/zinc/87/76/39/438877639.db2.gz WSTMZDBAWFHTLQ-LLVKDONJSA-N 2 2 348.407 0.669 20 5 ECBDLP C[NH+]1CCC([N@H+]2CC[C@@H](Nc3nccc(C(N)=O)c3[N+](=O)[O-])C2)CC1 ZINC000589572732 438877642 /nfs/dbraw/zinc/87/76/42/438877642.db2.gz WSTMZDBAWFHTLQ-LLVKDONJSA-N 2 2 348.407 0.669 20 5 ECBDLP COC(=O)COc1ccc(C[NH2+]CC23CC(C2)C[NH2+]3)cc1[N+](=O)[O-] ZINC000596101263 438925885 /nfs/dbraw/zinc/92/58/85/438925885.db2.gz DREFKIQFVWILQN-UHFFFAOYSA-N 2 2 335.360 0.988 20 5 ECBDLP CN(C)c1[nH+]cc(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)n1C ZINC000566791961 439088099 /nfs/dbraw/zinc/08/80/99/439088099.db2.gz HLKAXDHSOMXDLN-AWEZNQCLSA-N 2 2 349.391 0.924 20 5 ECBDLP O=[N+]([O-])c1ccc(N2CCC([NH2+]CC[N@H+]3CC[C@@H](O)C3)CC2)cn1 ZINC000602724250 439126636 /nfs/dbraw/zinc/12/66/36/439126636.db2.gz LZXKVRBGAZELNL-OAHLLOKOSA-N 2 2 335.408 0.615 20 5 ECBDLP O=[N+]([O-])c1ccc(N2CCC([NH2+]CC[N@@H+]3CC[C@@H](O)C3)CC2)cn1 ZINC000602724250 439126639 /nfs/dbraw/zinc/12/66/39/439126639.db2.gz LZXKVRBGAZELNL-OAHLLOKOSA-N 2 2 335.408 0.615 20 5 ECBDLP O=[N+]([O-])c1ccc(N2CCC([NH2+]CC[N@H+]3CC[C@H](O)C3)CC2)cn1 ZINC000602729989 439130065 /nfs/dbraw/zinc/13/00/65/439130065.db2.gz LZXKVRBGAZELNL-HNNXBMFYSA-N 2 2 335.408 0.615 20 5 ECBDLP O=[N+]([O-])c1ccc(N2CCC([NH2+]CC[N@@H+]3CC[C@H](O)C3)CC2)cn1 ZINC000602729989 439130069 /nfs/dbraw/zinc/13/00/69/439130069.db2.gz LZXKVRBGAZELNL-HNNXBMFYSA-N 2 2 335.408 0.615 20 5 ECBDLP C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CC(=O)N1CC[NH+](C)CC1 ZINC000602989206 439178500 /nfs/dbraw/zinc/17/85/00/439178500.db2.gz HIQQQPWOPZYJRR-UHFFFAOYSA-N 2 2 336.392 0.679 20 5 ECBDLP C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CC(=O)N1CC[NH+](C)CC1 ZINC000602989206 439178506 /nfs/dbraw/zinc/17/85/06/439178506.db2.gz HIQQQPWOPZYJRR-UHFFFAOYSA-N 2 2 336.392 0.679 20 5 ECBDLP COc1cc(C[N@H+](C)CC(=O)N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000602989045 439178846 /nfs/dbraw/zinc/17/88/46/439178846.db2.gz BOWINXMWJCRXRI-UHFFFAOYSA-N 2 2 336.392 0.809 20 5 ECBDLP COc1cc(C[N@@H+](C)CC(=O)N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000602989045 439178852 /nfs/dbraw/zinc/17/88/52/439178852.db2.gz BOWINXMWJCRXRI-UHFFFAOYSA-N 2 2 336.392 0.809 20 5 ECBDLP CN(C)c1[nH+]cc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])n1C ZINC000584586278 439603099 /nfs/dbraw/zinc/60/30/99/439603099.db2.gz SFSFQHZWGNZKMC-CYBMUJFWSA-N 2 2 349.391 0.924 20 5 ECBDLP C[NH+](C)CC(=O)N1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000051763597 214104170 /nfs/dbraw/zinc/10/41/70/214104170.db2.gz MLCWHVFUAFXRJE-UHFFFAOYSA-N 2 2 336.392 0.679 20 5 ECBDLP COc1ccc(NC(=O)CC[N@H+](CC[NH3+])CCO)c([N+](=O)[O-])c1 ZINC000420309123 209350432 /nfs/dbraw/zinc/35/04/32/209350432.db2.gz OGVZWOQCIBGHKT-UHFFFAOYSA-N 2 2 326.353 0.185 20 5 ECBDLP COc1ccc(NC(=O)CC[N@@H+](CC[NH3+])CCO)c([N+](=O)[O-])c1 ZINC000420309123 209350435 /nfs/dbraw/zinc/35/04/35/209350435.db2.gz OGVZWOQCIBGHKT-UHFFFAOYSA-N 2 2 326.353 0.185 20 5 ECBDLP CN1CC[NH2+]C[C@@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000591684184 439061155 /nfs/dbraw/zinc/06/11/55/439061155.db2.gz GGVNFBRUCNVZFK-CYBMUJFWSA-N 2 2 344.375 0.414 20 5 ECBDLP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594821146 439621646 /nfs/dbraw/zinc/62/16/46/439621646.db2.gz ITJNHUWTTGDMLI-UHFFFAOYSA-N 2 2 345.425 0.152 20 5 ECBDLP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594821146 439621649 /nfs/dbraw/zinc/62/16/49/439621649.db2.gz ITJNHUWTTGDMLI-UHFFFAOYSA-N 2 2 345.425 0.152 20 5 ECBDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000347511077 321242131 /nfs/dbraw/zinc/24/21/31/321242131.db2.gz AWBNTFZBJQPPRC-UHFFFAOYSA-N 2 2 338.412 0.426 20 5 ECBDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000347511077 321242133 /nfs/dbraw/zinc/24/21/33/321242133.db2.gz AWBNTFZBJQPPRC-UHFFFAOYSA-N 2 2 338.412 0.426 20 5 ECBDLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)C1 ZINC001023025116 736405425 /nfs/dbraw/zinc/40/54/25/736405425.db2.gz VYYKRJZRNSYVJZ-PHIMTYICSA-N 2 2 347.379 0.339 20 5 ECBDLP Cc1nc(N2CC[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)cc[nH+]1 ZINC000183777683 235222743 /nfs/dbraw/zinc/22/27/43/235222743.db2.gz BQCJQMZJFBXKMZ-CQSZACIVSA-N 2 2 347.379 0.073 20 5 ECBDLP C[NH+](C)C[C@](C)(O)CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450203806 211312142 /nfs/dbraw/zinc/31/21/42/211312142.db2.gz HYCDBMHGXFBJIK-MRXNPFEDSA-N 2 2 347.375 0.823 20 5 ECBDLP NC(=O)c1ccc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)c([N+](=O)[O-])c1 ZINC000261626406 165216690 /nfs/dbraw/zinc/21/66/90/165216690.db2.gz GUYOGXUNHUVMBW-CQSZACIVSA-N 2 2 333.392 0.173 20 5 ECBDLP NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000131140603 436847791 /nfs/dbraw/zinc/84/77/91/436847791.db2.gz IEHSHEZTTRQRBL-AWEZNQCLSA-N 2 2 336.396 0.205 20 5 ECBDLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000358034617 438126612 /nfs/dbraw/zinc/12/66/12/438126612.db2.gz HIKPOPMGOVRQGY-RISCZKNCSA-N 2 2 342.421 0.413 20 5 ECBDLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000358034617 438126615 /nfs/dbraw/zinc/12/66/15/438126615.db2.gz HIKPOPMGOVRQGY-RISCZKNCSA-N 2 2 342.421 0.413 20 5 ECBDLP C[NH+]1CCC([N@@H+]2CC[C@H](Nc3nccc(C(N)=O)c3[N+](=O)[O-])C2)CC1 ZINC000589572734 438878381 /nfs/dbraw/zinc/87/83/81/438878381.db2.gz WSTMZDBAWFHTLQ-NSHDSACASA-N 2 2 348.407 0.669 20 5 ECBDLP C[NH+]1CCC([N@H+]2CC[C@H](Nc3nccc(C(N)=O)c3[N+](=O)[O-])C2)CC1 ZINC000589572734 438878386 /nfs/dbraw/zinc/87/83/86/438878386.db2.gz WSTMZDBAWFHTLQ-NSHDSACASA-N 2 2 348.407 0.669 20 5 ECBDLP C[C@H]1C[N@H+](Cc2cn(C)nc2[N+](=O)[O-])CC[C@H]1N1CC[NH+](C)CC1 ZINC000602485777 439098112 /nfs/dbraw/zinc/09/81/12/439098112.db2.gz ZKVKOHCKOBIWBB-DZGCQCFKSA-N 2 2 336.440 0.786 20 5 ECBDLP C[C@H]1C[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])CC[C@H]1N1CC[NH+](C)CC1 ZINC000602485777 439098116 /nfs/dbraw/zinc/09/81/16/439098116.db2.gz ZKVKOHCKOBIWBB-DZGCQCFKSA-N 2 2 336.440 0.786 20 5 ECBDLP [NH3+]CC1(O)CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000583203179 439432377 /nfs/dbraw/zinc/43/23/77/439432377.db2.gz SIPCMXXIZSFKPV-UHFFFAOYSA-N 2 2 345.359 0.706 20 5 ECBDLP COc1cc(OCC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000572760143 439608947 /nfs/dbraw/zinc/60/89/47/439608947.db2.gz IMUSURZIMLPKNB-NSHDSACASA-N 2 2 338.364 0.084 20 5 ECBDLP COc1cc(OCC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000572760143 439608951 /nfs/dbraw/zinc/60/89/51/439608951.db2.gz IMUSURZIMLPKNB-NSHDSACASA-N 2 2 338.364 0.084 20 5 ECBDLP Cn1cc[nH+]c1[C@H](NC[C@H](O)C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000353499839 321395753 /nfs/dbraw/zinc/39/57/53/321395753.db2.gz DOGLEGLURRNEPB-LSDHHAIUSA-N 2 2 333.392 0.930 20 5 ECBDLP [NH3+]C1(C[NH2+]CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCC1 ZINC000843368431 589064055 /nfs/dbraw/zinc/06/40/55/589064055.db2.gz RCZUOKRUNHCMCL-UHFFFAOYSA-N 2 2 347.419 0.714 20 5 ECBDLP C[C@@H]1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1n1cc[nH+]c1 ZINC000269692041 263197390 /nfs/dbraw/zinc/19/73/90/263197390.db2.gz ILKISNMCIPXVRX-BPLDGKMQSA-N 2 2 334.380 0.932 20 5 ECBDLP C[C@@H]1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1n1cc[nH+]c1 ZINC000269692041 263197392 /nfs/dbraw/zinc/19/73/92/263197392.db2.gz ILKISNMCIPXVRX-BPLDGKMQSA-N 2 2 334.380 0.932 20 5 ECBDLP C[C@@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1n1cc[nH+]c1 ZINC000269692048 263197500 /nfs/dbraw/zinc/19/75/00/263197500.db2.gz ILKISNMCIPXVRX-VHDGCEQUSA-N 2 2 334.380 0.932 20 5 ECBDLP C[C@@H]1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1n1cc[nH+]c1 ZINC000269692048 263197502 /nfs/dbraw/zinc/19/75/02/263197502.db2.gz ILKISNMCIPXVRX-VHDGCEQUSA-N 2 2 334.380 0.932 20 5 ECBDLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000442751530 438621898 /nfs/dbraw/zinc/62/18/98/438621898.db2.gz CCHNHEWKASFPIK-ZJUUUORDSA-N 2 2 336.348 0.931 20 5 ECBDLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000442751530 438621901 /nfs/dbraw/zinc/62/19/01/438621901.db2.gz CCHNHEWKASFPIK-ZJUUUORDSA-N 2 2 336.348 0.931 20 5 ECBDLP [NH3+]C[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCCO1 ZINC000568392285 439244126 /nfs/dbraw/zinc/24/41/26/439244126.db2.gz PWUACMJIDCOJBY-ZDUSSCGKSA-N 2 2 345.359 0.970 20 5 ECBDLP O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCc2cn3ccccc3[nH+]2)c1 ZINC000572148837 439560730 /nfs/dbraw/zinc/56/07/30/439560730.db2.gz DYMHBLZXDBTLJR-CQSZACIVSA-N 2 2 330.348 0.632 20 5 ECBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000594736730 439599438 /nfs/dbraw/zinc/59/94/38/439599438.db2.gz QWAQQDNGCPNKRR-KGLIPLIRSA-N 2 2 334.376 0.737 20 5 ECBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000594736730 439599440 /nfs/dbraw/zinc/59/94/40/439599440.db2.gz QWAQQDNGCPNKRR-KGLIPLIRSA-N 2 2 334.376 0.737 20 5 ECBDLP [NH3+]CC1(O)CC[NH+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000842480599 589032135 /nfs/dbraw/zinc/03/21/35/589032135.db2.gz TXMOFCQWARULLR-UHFFFAOYSA-N 2 2 342.783 0.972 20 5 ECBDLP Cc1nc(NC[C@@H]2CC[N@H+]2C)nc(NC[C@@H]2CC[NH+]2C)c1[N+](=O)[O-] ZINC000895769780 586203934 /nfs/dbraw/zinc/20/39/34/586203934.db2.gz IMUFBEPQDNMHOK-RYUDHWBXSA-N 2 2 335.412 0.925 20 5 ECBDLP Cc1nc(NC[C@@H]2CC[N@@H+]2C)nc(NC[C@@H]2CC[NH+]2C)c1[N+](=O)[O-] ZINC000895769780 586203937 /nfs/dbraw/zinc/20/39/37/586203937.db2.gz IMUFBEPQDNMHOK-RYUDHWBXSA-N 2 2 335.412 0.925 20 5 ECBDLP Cc1nc(NC[C@@H]2CC[NH+]2C)nc(NC[C@@H]2CC[N@@H+]2C)c1[N+](=O)[O-] ZINC000895769780 586203939 /nfs/dbraw/zinc/20/39/39/586203939.db2.gz IMUFBEPQDNMHOK-RYUDHWBXSA-N 2 2 335.412 0.925 20 5 ECBDLP Cc1nc(NC[C@@H]2CC[NH+]2C)nc(NC[C@@H]2CC[N@H+]2C)c1[N+](=O)[O-] ZINC000895769780 586203942 /nfs/dbraw/zinc/20/39/42/586203942.db2.gz IMUFBEPQDNMHOK-RYUDHWBXSA-N 2 2 335.412 0.925 20 5 ECBDLP O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000090550733 436433589 /nfs/dbraw/zinc/43/35/89/436433589.db2.gz FMGMGIRJMINDNK-CQSZACIVSA-N 2 2 336.392 0.411 20 5 ECBDLP O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000090550733 436433593 /nfs/dbraw/zinc/43/35/93/436433593.db2.gz FMGMGIRJMINDNK-CQSZACIVSA-N 2 2 336.392 0.411 20 5 ECBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362825898 437756560 /nfs/dbraw/zinc/75/65/60/437756560.db2.gz KQOHEYDGQKMUJX-HNNXBMFYSA-N 2 2 348.403 1.000 20 5 ECBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362825898 437756561 /nfs/dbraw/zinc/75/65/61/437756561.db2.gz KQOHEYDGQKMUJX-HNNXBMFYSA-N 2 2 348.403 1.000 20 5 ECBDLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000358049878 438131237 /nfs/dbraw/zinc/13/12/37/438131237.db2.gz SFTSZKCMVYQGMQ-NEPJUHHUSA-N 2 2 342.421 0.413 20 5 ECBDLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000358049878 438131241 /nfs/dbraw/zinc/13/12/41/438131241.db2.gz SFTSZKCMVYQGMQ-NEPJUHHUSA-N 2 2 342.421 0.413 20 5 ECBDLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000358049889 438132572 /nfs/dbraw/zinc/13/25/72/438132572.db2.gz SFTSZKCMVYQGMQ-VXGBXAGGSA-N 2 2 342.421 0.413 20 5 ECBDLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000358049889 438132574 /nfs/dbraw/zinc/13/25/74/438132574.db2.gz SFTSZKCMVYQGMQ-VXGBXAGGSA-N 2 2 342.421 0.413 20 5 ECBDLP C[C@@H]1CN(c2ncc([N+](=O)[O-])c(N)n2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000374256727 438199745 /nfs/dbraw/zinc/19/97/45/438199745.db2.gz XFBBVAXJIYSVRC-LLVKDONJSA-N 2 2 335.412 0.572 20 5 ECBDLP C[C@@H]1CN(c2ncc([N+](=O)[O-])c(N)n2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000374256727 438199749 /nfs/dbraw/zinc/19/97/49/438199749.db2.gz XFBBVAXJIYSVRC-LLVKDONJSA-N 2 2 335.412 0.572 20 5 ECBDLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000422950016 438619812 /nfs/dbraw/zinc/61/98/12/438619812.db2.gz WZODHWYLOFDQBJ-RISCZKNCSA-N 2 2 342.421 0.461 20 5 ECBDLP Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000602785532 439134726 /nfs/dbraw/zinc/13/47/26/439134726.db2.gz WFUPXHVVSXCHPI-UHFFFAOYSA-N 2 2 325.413 0.878 20 5 ECBDLP Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000602785532 439134729 /nfs/dbraw/zinc/13/47/29/439134729.db2.gz WFUPXHVVSXCHPI-UHFFFAOYSA-N 2 2 325.413 0.878 20 5 ECBDLP O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCc2cn3c([nH+]2)CCCC3)c1 ZINC000581997916 439276150 /nfs/dbraw/zinc/27/61/50/439276150.db2.gz KFCOTVJRALGGGB-CQSZACIVSA-N 2 2 334.380 0.517 20 5 ECBDLP Cn1cc[nH+]c1[C@H](NC[C@H]1COCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000600710369 439694261 /nfs/dbraw/zinc/69/42/61/439694261.db2.gz NNSJXLGRMFZCTL-DZGCQCFKSA-N 2 2 331.376 0.996 20 5 ECBDLP O=C(NCC[N@H+]1CC[C@H](O)C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000600809161 546297117 /nfs/dbraw/zinc/29/71/17/546297117.db2.gz TZMAYFQKSALBNP-ZDUSSCGKSA-N 2 2 345.359 0.577 20 5 ECBDLP O=C(NCC[N@@H+]1CC[C@H](O)C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000600809161 546297121 /nfs/dbraw/zinc/29/71/21/546297121.db2.gz TZMAYFQKSALBNP-ZDUSSCGKSA-N 2 2 345.359 0.577 20 5 ECBDLP C[C@@H]1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1n1cc[nH+]c1 ZINC000269692051 263197476 /nfs/dbraw/zinc/19/74/76/263197476.db2.gz ILKISNMCIPXVRX-YUELXQCFSA-N 2 2 334.380 0.932 20 5 ECBDLP C[C@@H]1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1n1cc[nH+]c1 ZINC000269692051 263197478 /nfs/dbraw/zinc/19/74/78/263197478.db2.gz ILKISNMCIPXVRX-YUELXQCFSA-N 2 2 334.380 0.932 20 5 ECBDLP C[N@H+](C[C@@H](O)C[NH+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CC1 ZINC000351713987 438325062 /nfs/dbraw/zinc/32/50/62/438325062.db2.gz XYYCLJIOAJROIV-SWLSCSKDSA-N 2 2 335.408 0.931 20 5 ECBDLP C[N@@H+](C[C@@H](O)C[NH+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CC1 ZINC000351713987 438325066 /nfs/dbraw/zinc/32/50/66/438325066.db2.gz XYYCLJIOAJROIV-SWLSCSKDSA-N 2 2 335.408 0.931 20 5 ECBDLP C[NH+](C[C@@H](O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CC1 ZINC000351713987 438325070 /nfs/dbraw/zinc/32/50/70/438325070.db2.gz XYYCLJIOAJROIV-SWLSCSKDSA-N 2 2 335.408 0.931 20 5 ECBDLP C[NH+](C[C@@H](O)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CC1 ZINC000351713987 438325075 /nfs/dbraw/zinc/32/50/75/438325075.db2.gz XYYCLJIOAJROIV-SWLSCSKDSA-N 2 2 335.408 0.931 20 5 ECBDLP Cn1cc(C[NH2+]C[C@@H]2C[NH2+]CCN2C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000414977215 438725588 /nfs/dbraw/zinc/72/55/88/438725588.db2.gz POQHKQJKEUTIKB-INIZCTEOSA-N 2 2 344.419 0.989 20 5 ECBDLP C[N@@H+]1CCN(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H](C[NH3+])C1 ZINC000515460893 438868875 /nfs/dbraw/zinc/86/88/75/438868875.db2.gz SNUCDJYCIQPAFU-LLVKDONJSA-N 2 2 347.379 0.255 20 5 ECBDLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000516533149 438912815 /nfs/dbraw/zinc/91/28/15/438912815.db2.gz WCNJIQLSJKRPKZ-HUUCEWRRSA-N 2 2 341.412 0.099 20 5 ECBDLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000516533149 438912822 /nfs/dbraw/zinc/91/28/22/438912822.db2.gz WCNJIQLSJKRPKZ-HUUCEWRRSA-N 2 2 341.412 0.099 20 5 ECBDLP O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCc2cn3c([nH+]2)CCCC3)c1 ZINC000581997915 439276750 /nfs/dbraw/zinc/27/67/50/439276750.db2.gz KFCOTVJRALGGGB-AWEZNQCLSA-N 2 2 334.380 0.517 20 5 ECBDLP CN(C(=O)C[N@H+](C)CCN1CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC000592472307 439236445 /nfs/dbraw/zinc/23/64/45/439236445.db2.gz WKNUQODRWVTBPP-UHFFFAOYSA-N 2 2 335.408 0.395 20 5 ECBDLP CN(C(=O)C[N@@H+](C)CCN1CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC000592472307 439236448 /nfs/dbraw/zinc/23/64/48/439236448.db2.gz WKNUQODRWVTBPP-UHFFFAOYSA-N 2 2 335.408 0.395 20 5 ECBDLP Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001022775359 759098635 /nfs/dbraw/zinc/09/86/35/759098635.db2.gz PZJLEQQFTPPJQH-AOOOYVTPSA-N 2 2 333.352 0.031 20 5 ECBDLP CN(C)c1nc(N2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)cc[nH+]1 ZINC000357957520 299657973 /nfs/dbraw/zinc/65/79/73/299657973.db2.gz IIASVTLHVLSHRQ-UHFFFAOYSA-N 2 2 346.395 0.470 20 5 ECBDLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cc([N+](=O)[O-])n[nH]3)CC2)CC1 ZINC000286112720 264371331 /nfs/dbraw/zinc/37/13/31/264371331.db2.gz VJTJVJZRYQNADI-UHFFFAOYSA-N 2 2 336.396 0.606 20 5 ECBDLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000162486336 436908213 /nfs/dbraw/zinc/90/82/13/436908213.db2.gz WPDMJGPWBSYOLG-AWEZNQCLSA-N 2 2 336.396 0.030 20 5 ECBDLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000162486336 436908216 /nfs/dbraw/zinc/90/82/16/436908216.db2.gz WPDMJGPWBSYOLG-AWEZNQCLSA-N 2 2 336.396 0.030 20 5 ECBDLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000305695894 437162126 /nfs/dbraw/zinc/16/21/26/437162126.db2.gz RWHZIGKHXSBAMQ-UKRRQHHQSA-N 2 2 348.407 0.840 20 5 ECBDLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000305695894 437162130 /nfs/dbraw/zinc/16/21/30/437162130.db2.gz RWHZIGKHXSBAMQ-UKRRQHHQSA-N 2 2 348.407 0.840 20 5 ECBDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)C2)CC1 ZINC000373098408 438129778 /nfs/dbraw/zinc/12/97/78/438129778.db2.gz JFHASZZSLWVSTO-GFCCVEGCSA-N 2 2 349.391 0.594 20 5 ECBDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)C2)CC1 ZINC000373098408 438129784 /nfs/dbraw/zinc/12/97/84/438129784.db2.gz JFHASZZSLWVSTO-GFCCVEGCSA-N 2 2 349.391 0.594 20 5 ECBDLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000351864213 438352842 /nfs/dbraw/zinc/35/28/42/438352842.db2.gz WTJCOYFMNHOSGO-NXEZZACHSA-N 2 2 336.348 0.931 20 5 ECBDLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000351864213 438352845 /nfs/dbraw/zinc/35/28/45/438352845.db2.gz WTJCOYFMNHOSGO-NXEZZACHSA-N 2 2 336.348 0.931 20 5 ECBDLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000422950017 438619959 /nfs/dbraw/zinc/61/99/59/438619959.db2.gz WZODHWYLOFDQBJ-SMDDNHRTSA-N 2 2 342.421 0.461 20 5 ECBDLP C[N@@H+]1CCN(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H](C[NH3+])C1 ZINC000515460894 438869534 /nfs/dbraw/zinc/86/95/34/438869534.db2.gz SNUCDJYCIQPAFU-NSHDSACASA-N 2 2 347.379 0.255 20 5 ECBDLP Cc1cccn2cc(CC[NH2+]C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)[nH+]c12 ZINC000591748341 439080371 /nfs/dbraw/zinc/08/03/71/439080371.db2.gz SHUZWFRNGAFQFP-OAHLLOKOSA-N 2 2 344.375 0.941 20 5 ECBDLP Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000609571503 439578483 /nfs/dbraw/zinc/57/84/83/439578483.db2.gz BHJLQKFYJZHKMG-LBPRGKRZSA-N 2 2 335.408 0.832 20 5 ECBDLP Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000609571503 439578488 /nfs/dbraw/zinc/57/84/88/439578488.db2.gz BHJLQKFYJZHKMG-LBPRGKRZSA-N 2 2 335.408 0.832 20 5 ECBDLP COC(=O)COc1ccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000616137258 439812133 /nfs/dbraw/zinc/81/21/33/439812133.db2.gz DZKXSZHNMBTKSI-CHWSQXEVSA-N 2 2 335.360 0.798 20 5 ECBDLP C[NH2+]CCC[N@H+](C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000842477397 589031910 /nfs/dbraw/zinc/03/19/10/589031910.db2.gz UDKHQNADISISHG-UHFFFAOYSA-N 2 2 349.435 0.785 20 5 ECBDLP C[NH2+]CCC[N@@H+](C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000842477397 589031911 /nfs/dbraw/zinc/03/19/11/589031911.db2.gz UDKHQNADISISHG-UHFFFAOYSA-N 2 2 349.435 0.785 20 5 ECBDLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923332852 611230270 /nfs/dbraw/zinc/23/02/70/611230270.db2.gz MYZPBJJRMRMBLJ-HZPDHXFCSA-N 2 2 348.403 0.524 20 5 ECBDLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923332852 611230272 /nfs/dbraw/zinc/23/02/72/611230272.db2.gz MYZPBJJRMRMBLJ-HZPDHXFCSA-N 2 2 348.403 0.524 20 5 ECBDLP Cc1ncc([N+](=O)[O-])n1CC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000824956591 611285377 /nfs/dbraw/zinc/28/53/77/611285377.db2.gz HQYBTVFPDXUEAN-UHFFFAOYSA-N 2 2 326.401 0.099 20 5 ECBDLP Cc1ncc([N+](=O)[O-])n1CC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000824956591 611285378 /nfs/dbraw/zinc/28/53/78/611285378.db2.gz HQYBTVFPDXUEAN-UHFFFAOYSA-N 2 2 326.401 0.099 20 5 ECBDLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000362827139 300224150 /nfs/dbraw/zinc/22/41/50/300224150.db2.gz SFXUCNCMGZRRKC-OAHLLOKOSA-N 2 2 348.403 0.870 20 5 ECBDLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000362827139 300224151 /nfs/dbraw/zinc/22/41/51/300224151.db2.gz SFXUCNCMGZRRKC-OAHLLOKOSA-N 2 2 348.403 0.870 20 5 ECBDLP [NH3+][C@H]1CCC[C@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422979031 438623262 /nfs/dbraw/zinc/62/32/62/438623262.db2.gz IQVRATVKBOGKJD-WDEREUQCSA-N 2 2 328.394 0.343 20 5 ECBDLP C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000842475902 589031805 /nfs/dbraw/zinc/03/18/05/589031805.db2.gz WFXOXYAVNRIMJS-WPRPVWTQSA-N 2 2 330.772 0.827 20 5 ECBDLP C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000842475902 589031806 /nfs/dbraw/zinc/03/18/06/589031806.db2.gz WFXOXYAVNRIMJS-WPRPVWTQSA-N 2 2 330.772 0.827 20 5 ECBDLP C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)C[C@H](O)C[NH3+] ZINC000842475901 589031978 /nfs/dbraw/zinc/03/19/78/589031978.db2.gz WFXOXYAVNRIMJS-WCBMZHEXSA-N 2 2 330.772 0.827 20 5 ECBDLP C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000842475901 589031980 /nfs/dbraw/zinc/03/19/80/589031980.db2.gz WFXOXYAVNRIMJS-WCBMZHEXSA-N 2 2 330.772 0.827 20 5 ECBDLP C[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)CCN1C1CC[NH+](C)CC1 ZINC000332159502 297009987 /nfs/dbraw/zinc/00/99/87/297009987.db2.gz QJUCLCBDNRQDEG-AWEZNQCLSA-N 2 2 336.440 0.892 20 5 ECBDLP C[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CCN1C1CC[NH+](C)CC1 ZINC000332159502 297009989 /nfs/dbraw/zinc/00/99/89/297009989.db2.gz QJUCLCBDNRQDEG-AWEZNQCLSA-N 2 2 336.440 0.892 20 5 ECBDLP C[C@H]1CN(CCn2cc([N+](=O)[O-])cn2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000332159502 297009990 /nfs/dbraw/zinc/00/99/90/297009990.db2.gz QJUCLCBDNRQDEG-AWEZNQCLSA-N 2 2 336.440 0.892 20 5 ECBDLP C[C@H]1CN(CCn2cc([N+](=O)[O-])cn2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000332159502 297009992 /nfs/dbraw/zinc/00/99/92/297009992.db2.gz QJUCLCBDNRQDEG-AWEZNQCLSA-N 2 2 336.440 0.892 20 5 ECBDLP C[C@@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]1 ZINC000422984470 438624971 /nfs/dbraw/zinc/62/49/71/438624971.db2.gz XWIOLUVIZBGZJE-NEPJUHHUSA-N 2 2 342.421 0.603 20 5 ECBDLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602544204 439108810 /nfs/dbraw/zinc/10/88/10/439108810.db2.gz FTXOCOSRSIAPBN-INIZCTEOSA-N 2 2 348.451 0.794 20 5 ECBDLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602544204 439108814 /nfs/dbraw/zinc/10/88/14/439108814.db2.gz FTXOCOSRSIAPBN-INIZCTEOSA-N 2 2 348.451 0.794 20 5 ECBDLP C[N@@H+]1CCN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1 ZINC000521216444 439110992 /nfs/dbraw/zinc/11/09/92/439110992.db2.gz NKZJSHHZQGCIKF-ZDUSSCGKSA-N 2 2 337.380 0.258 20 5 ECBDLP C[N@H+]1CCN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1 ZINC000521216444 439110998 /nfs/dbraw/zinc/11/09/98/439110998.db2.gz NKZJSHHZQGCIKF-ZDUSSCGKSA-N 2 2 337.380 0.258 20 5 ECBDLP CN1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000582061406 439286183 /nfs/dbraw/zinc/28/61/83/439286183.db2.gz QCEWLKPKSWVRKW-CYBMUJFWSA-N 2 2 344.375 0.495 20 5 ECBDLP C[C@@H]1C[N@@H+](CCC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000583603188 439485703 /nfs/dbraw/zinc/48/57/03/439485703.db2.gz KHLDJMUSZHPRIF-GUTXKFCHSA-N 2 2 341.412 0.241 20 5 ECBDLP C[C@@H]1C[N@H+](CCC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000583603188 439485708 /nfs/dbraw/zinc/48/57/08/439485708.db2.gz KHLDJMUSZHPRIF-GUTXKFCHSA-N 2 2 341.412 0.241 20 5 ECBDLP O=C(N1CC[NH2+]CC1)N1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000600714945 439693849 /nfs/dbraw/zinc/69/38/49/439693849.db2.gz VXMAVFIZMYLPEU-UHFFFAOYSA-N 2 2 333.392 0.738 20 5 ECBDLP Cn1cc[nH+]c1[C@@H](NC[C@@H]1COCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000600710370 439694272 /nfs/dbraw/zinc/69/42/72/439694272.db2.gz NNSJXLGRMFZCTL-HIFRSBDPSA-N 2 2 331.376 0.996 20 5 ECBDLP CN1CC[NH2+]C[C@@H]1CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000420283033 209348234 /nfs/dbraw/zinc/34/82/34/209348234.db2.gz XCISZTSEGISFIW-OAHLLOKOSA-N 2 2 349.435 0.743 20 5 ECBDLP C[N@@H+]1CCN(C2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)C(=O)C1 ZINC000374750483 301124243 /nfs/dbraw/zinc/12/42/43/301124243.db2.gz MLXQJUNFMVVTGL-UHFFFAOYSA-N 2 2 336.396 0.030 20 5 ECBDLP C[N@H+]1CCN(C2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)C(=O)C1 ZINC000374750483 301124244 /nfs/dbraw/zinc/12/42/44/301124244.db2.gz MLXQJUNFMVVTGL-UHFFFAOYSA-N 2 2 336.396 0.030 20 5 ECBDLP CN(Cc1c([N+](=O)[O-])ncn1C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000367622239 438230480 /nfs/dbraw/zinc/23/04/80/438230480.db2.gz GSYUAIKECQYQIK-CQSZACIVSA-N 2 2 336.440 0.929 20 5 ECBDLP CN(Cc1c([N+](=O)[O-])ncn1C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000367622239 438230484 /nfs/dbraw/zinc/23/04/84/438230484.db2.gz GSYUAIKECQYQIK-CQSZACIVSA-N 2 2 336.440 0.929 20 5 ECBDLP O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)c1 ZINC000568346935 439239535 /nfs/dbraw/zinc/23/95/35/439239535.db2.gz IGWRVDICWAONLH-AWEZNQCLSA-N 2 2 347.375 0.880 20 5 ECBDLP COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000583133216 439424197 /nfs/dbraw/zinc/42/41/97/439424197.db2.gz ZYKOUPUTCUWQEZ-ZDUSSCGKSA-N 2 2 337.380 0.388 20 5 ECBDLP COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000583133216 439424202 /nfs/dbraw/zinc/42/42/02/439424202.db2.gz ZYKOUPUTCUWQEZ-ZDUSSCGKSA-N 2 2 337.380 0.388 20 5 ECBDLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000573597864 439655202 /nfs/dbraw/zinc/65/52/02/439655202.db2.gz WZRBOQNXLRDDRC-LSDHHAIUSA-N 2 2 338.408 0.170 20 5 ECBDLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000573597864 439655205 /nfs/dbraw/zinc/65/52/05/439655205.db2.gz WZRBOQNXLRDDRC-LSDHHAIUSA-N 2 2 338.408 0.170 20 5 ECBDLP Cn1cc[nH+]c1[C@@H](NC[C@H]1COCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000600710372 439694138 /nfs/dbraw/zinc/69/41/38/439694138.db2.gz NNSJXLGRMFZCTL-ZFWWWQNUSA-N 2 2 331.376 0.996 20 5 ECBDLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923332853 611230116 /nfs/dbraw/zinc/23/01/16/611230116.db2.gz MYZPBJJRMRMBLJ-JKSUJKDBSA-N 2 2 348.403 0.524 20 5 ECBDLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923332853 611230117 /nfs/dbraw/zinc/23/01/17/611230117.db2.gz MYZPBJJRMRMBLJ-JKSUJKDBSA-N 2 2 348.403 0.524 20 5 ECBDLP O=C1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CN1CC[NH+]1CCOCC1 ZINC000178903061 437238767 /nfs/dbraw/zinc/23/87/67/437238767.db2.gz MLXWDFOJWKVHQN-HNNXBMFYSA-N 2 2 348.403 0.618 20 5 ECBDLP C[N@H+](CC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000387465001 438422725 /nfs/dbraw/zinc/42/27/25/438422725.db2.gz SITNQVHOROYTSH-MRXNPFEDSA-N 2 2 333.392 0.874 20 5 ECBDLP C[N@@H+](CC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000387465001 438422731 /nfs/dbraw/zinc/42/27/31/438422731.db2.gz SITNQVHOROYTSH-MRXNPFEDSA-N 2 2 333.392 0.874 20 5 ECBDLP C[NH+](C)CCC[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CCO1 ZINC000595905340 438885766 /nfs/dbraw/zinc/88/57/66/438885766.db2.gz BZGXOPGEKKDRKE-HNNXBMFYSA-N 2 2 338.408 0.799 20 5 ECBDLP C[NH+](C)CCC[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)CCO1 ZINC000595905340 438885771 /nfs/dbraw/zinc/88/57/71/438885771.db2.gz BZGXOPGEKKDRKE-HNNXBMFYSA-N 2 2 338.408 0.799 20 5 ECBDLP NC(=O)c1ccc(C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC000580692060 439118519 /nfs/dbraw/zinc/11/85/19/439118519.db2.gz HLNFADVTHIUDPN-UHFFFAOYSA-N 2 2 330.348 0.739 20 5 ECBDLP C[C@H]1C[NH2+]C[C@H]([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000592439020 439230302 /nfs/dbraw/zinc/23/03/02/439230302.db2.gz XRYJJLVQWCWSGU-VXGBXAGGSA-N 2 2 342.421 0.461 20 5 ECBDLP C[N@@H+]1CC[C@](O)(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000450622535 211336785 /nfs/dbraw/zinc/33/67/85/211336785.db2.gz KDLHKIIUMKZGRR-INIZCTEOSA-N 2 2 345.359 0.577 20 5 ECBDLP C[N@H+]1CC[C@](O)(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000450622535 211336788 /nfs/dbraw/zinc/33/67/88/211336788.db2.gz KDLHKIIUMKZGRR-INIZCTEOSA-N 2 2 345.359 0.577 20 5 ECBDLP [NH3+]CC1CC[NH+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000430637194 210393042 /nfs/dbraw/zinc/39/30/42/210393042.db2.gz KSUUNLLBHPIMSY-UHFFFAOYSA-N 2 2 336.348 0.933 20 5 ECBDLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000090003679 436425230 /nfs/dbraw/zinc/42/52/30/436425230.db2.gz RWHZIGKHXSBAMQ-HIFRSBDPSA-N 2 2 348.407 0.840 20 5 ECBDLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000090003679 436425233 /nfs/dbraw/zinc/42/52/33/436425233.db2.gz RWHZIGKHXSBAMQ-HIFRSBDPSA-N 2 2 348.407 0.840 20 5 ECBDLP NC(=O)[C@H]1CCC[N@H+]1C1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000131140390 436848269 /nfs/dbraw/zinc/84/82/69/436848269.db2.gz IEHSHEZTTRQRBL-CQSZACIVSA-N 2 2 336.396 0.205 20 5 ECBDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000366127773 438023122 /nfs/dbraw/zinc/02/31/22/438023122.db2.gz PNZXHUIGMMMNFG-LBPRGKRZSA-N 2 2 333.392 0.888 20 5 ECBDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000366127773 438023124 /nfs/dbraw/zinc/02/31/24/438023124.db2.gz PNZXHUIGMMMNFG-LBPRGKRZSA-N 2 2 333.392 0.888 20 5 ECBDLP C[N@H+](C[C@@H](O)C[NH+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CC1 ZINC000351713986 438324255 /nfs/dbraw/zinc/32/42/55/438324255.db2.gz XYYCLJIOAJROIV-IUODEOHRSA-N 2 2 335.408 0.931 20 5 ECBDLP C[N@@H+](C[C@@H](O)C[NH+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CC1 ZINC000351713986 438324259 /nfs/dbraw/zinc/32/42/59/438324259.db2.gz XYYCLJIOAJROIV-IUODEOHRSA-N 2 2 335.408 0.931 20 5 ECBDLP C[NH+](C[C@@H](O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CC1 ZINC000351713986 438324264 /nfs/dbraw/zinc/32/42/64/438324264.db2.gz XYYCLJIOAJROIV-IUODEOHRSA-N 2 2 335.408 0.931 20 5 ECBDLP C[NH+](C[C@@H](O)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CC1 ZINC000351713986 438324267 /nfs/dbraw/zinc/32/42/67/438324267.db2.gz XYYCLJIOAJROIV-IUODEOHRSA-N 2 2 335.408 0.931 20 5 ECBDLP C[N@@H+]1CCN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000521216443 439110323 /nfs/dbraw/zinc/11/03/23/439110323.db2.gz NKZJSHHZQGCIKF-CYBMUJFWSA-N 2 2 337.380 0.258 20 5 ECBDLP C[N@H+]1CCN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000521216443 439110329 /nfs/dbraw/zinc/11/03/29/439110329.db2.gz NKZJSHHZQGCIKF-CYBMUJFWSA-N 2 2 337.380 0.258 20 5 ECBDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000597989566 439207900 /nfs/dbraw/zinc/20/79/00/439207900.db2.gz GIBINVSKRDTSJH-UHFFFAOYSA-N 2 2 341.387 0.929 20 5 ECBDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000597989566 439207906 /nfs/dbraw/zinc/20/79/06/439207906.db2.gz GIBINVSKRDTSJH-UHFFFAOYSA-N 2 2 341.387 0.929 20 5 ECBDLP Cc1nn(C)c(C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1[N+](=O)[O-] ZINC000597990363 439209343 /nfs/dbraw/zinc/20/93/43/439209343.db2.gz UEALDLNHBSGHDY-UHFFFAOYSA-N 2 2 326.401 0.250 20 5 ECBDLP Cc1nn(C)c(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1[N+](=O)[O-] ZINC000597990363 439209346 /nfs/dbraw/zinc/20/93/46/439209346.db2.gz UEALDLNHBSGHDY-UHFFFAOYSA-N 2 2 326.401 0.250 20 5 ECBDLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000593905997 439492501 /nfs/dbraw/zinc/49/25/01/439492501.db2.gz QVPGUXJKEXVHAU-YPMHNXCESA-N 2 2 336.396 0.282 20 5 ECBDLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000593926494 439496643 /nfs/dbraw/zinc/49/66/43/439496643.db2.gz WYTRMNXQDMTCQZ-LBPRGKRZSA-N 2 2 332.364 1.202 20 5 ECBDLP CN1CC[N@H+](C)C[C@H]1C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000573597863 439655450 /nfs/dbraw/zinc/65/54/50/439655450.db2.gz WZRBOQNXLRDDRC-HUUCEWRRSA-N 2 2 338.408 0.170 20 5 ECBDLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000573597863 439655454 /nfs/dbraw/zinc/65/54/54/439655454.db2.gz WZRBOQNXLRDDRC-HUUCEWRRSA-N 2 2 338.408 0.170 20 5 ECBDLP O=C(NCC[N@H+]1CC[C@@H](O)C1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000600531427 439674653 /nfs/dbraw/zinc/67/46/53/439674653.db2.gz DZUACLWNMMYPQU-CYBMUJFWSA-N 2 2 345.359 0.577 20 5 ECBDLP O=C(NCC[N@@H+]1CC[C@@H](O)C1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000600531427 439674656 /nfs/dbraw/zinc/67/46/56/439674656.db2.gz DZUACLWNMMYPQU-CYBMUJFWSA-N 2 2 345.359 0.577 20 5 ECBDLP Cn1cc[nH+]c1[C@@H](NC[C@H](O)C[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000353504159 321395966 /nfs/dbraw/zinc/39/59/66/321395966.db2.gz QKEYAMKXGJGLLJ-GJZGRUSLSA-N 2 2 333.392 0.930 20 5 ECBDLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000846669097 589217619 /nfs/dbraw/zinc/21/76/19/589217619.db2.gz XFBLHAUTJHQTBO-OAHLLOKOSA-N 2 2 335.408 0.522 20 5 ECBDLP O=C1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CN1CC[NH+]1CCOCC1 ZINC000178903083 437237160 /nfs/dbraw/zinc/23/71/60/437237160.db2.gz OSTIGUWZXCUROQ-HNNXBMFYSA-N 2 2 348.403 0.618 20 5 ECBDLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422979793 438623764 /nfs/dbraw/zinc/62/37/64/438623764.db2.gz KGWZKQPEDXBCRQ-NEPJUHHUSA-N 2 2 342.421 0.461 20 5 ECBDLP Cc1cn2c([nH+]1)[C@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CCC2 ZINC000591757160 439083218 /nfs/dbraw/zinc/08/32/18/439083218.db2.gz MONQHSVGGUORPC-JSGCOSHPSA-N 2 2 334.380 0.824 20 5 ECBDLP Cn1cc[nH+]c1[C@H](NC[C@@H]1COCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000600710371 439693677 /nfs/dbraw/zinc/69/36/77/439693677.db2.gz NNSJXLGRMFZCTL-UKRRQHHQSA-N 2 2 331.376 0.996 20 5 ECBDLP O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C[C@H](O)C[NH+]3CCCC3)C2)nc1 ZINC000749323223 579336570 /nfs/dbraw/zinc/33/65/70/579336570.db2.gz FBCODCMYSQGKLC-UKRRQHHQSA-N 2 2 335.408 0.933 20 5 ECBDLP O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C[C@H](O)C[NH+]3CCCC3)C2)nc1 ZINC000749323223 579336571 /nfs/dbraw/zinc/33/65/71/579336571.db2.gz FBCODCMYSQGKLC-UKRRQHHQSA-N 2 2 335.408 0.933 20 5 ECBDLP O=C(NC[C@@H]1C[NH2+]CCCO1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000449708714 211294275 /nfs/dbraw/zinc/29/42/75/211294275.db2.gz WCFQJTONSZDBFK-ZDUSSCGKSA-N 2 2 345.359 0.889 20 5 ECBDLP C[NH+]1CCC([N@@H+]2CC[C@H](Nc3ncc([N+](=O)[O-])cc3C(N)=O)C2)CC1 ZINC000363031732 300242192 /nfs/dbraw/zinc/24/21/92/300242192.db2.gz PZWODCFYXGLGTM-NSHDSACASA-N 2 2 348.407 0.669 20 5 ECBDLP C[NH+]1CCC([N@H+]2CC[C@H](Nc3ncc([N+](=O)[O-])cc3C(N)=O)C2)CC1 ZINC000363031732 300242196 /nfs/dbraw/zinc/24/21/96/300242196.db2.gz PZWODCFYXGLGTM-NSHDSACASA-N 2 2 348.407 0.669 20 5 ECBDLP C[N@@H+]1CCC[C@@H](N2CC[NH+](CCn3cc([N+](=O)[O-])ccc3=O)CC2)C1 ZINC000090554347 436432931 /nfs/dbraw/zinc/43/29/31/436432931.db2.gz NMEDWBLPIZEAGW-OAHLLOKOSA-N 2 2 349.435 0.468 20 5 ECBDLP C[N@H+]1CCC[C@@H](N2CC[NH+](CCn3cc([N+](=O)[O-])ccc3=O)CC2)C1 ZINC000090554347 436432936 /nfs/dbraw/zinc/43/29/36/436432936.db2.gz NMEDWBLPIZEAGW-OAHLLOKOSA-N 2 2 349.435 0.468 20 5 ECBDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)Cn3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000369273670 438446568 /nfs/dbraw/zinc/44/65/68/438446568.db2.gz IKSLYTQFULBQKJ-GFCCVEGCSA-N 2 2 336.396 0.076 20 5 ECBDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)Cn3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000369273670 438446570 /nfs/dbraw/zinc/44/65/70/438446570.db2.gz IKSLYTQFULBQKJ-GFCCVEGCSA-N 2 2 336.396 0.076 20 5 ECBDLP Cn1cc(C[NH2+]C[C@H]2C[NH2+]CCN2C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000414977216 438724205 /nfs/dbraw/zinc/72/42/05/438724205.db2.gz POQHKQJKEUTIKB-MRXNPFEDSA-N 2 2 344.419 0.989 20 5 ECBDLP COc1cc(C[N@H+](C)C[C@@H](O)C[NH3+])c([N+](=O)[O-])cc1OC(F)F ZINC000415068015 438729187 /nfs/dbraw/zinc/72/91/87/438729187.db2.gz LXXBWCUHFZFVEW-VIFPVBQESA-N 2 2 335.307 0.956 20 5 ECBDLP COc1cc(C[N@@H+](C)C[C@@H](O)C[NH3+])c([N+](=O)[O-])cc1OC(F)F ZINC000415068015 438729188 /nfs/dbraw/zinc/72/91/88/438729188.db2.gz LXXBWCUHFZFVEW-VIFPVBQESA-N 2 2 335.307 0.956 20 5 ECBDLP CN1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000582061407 439287368 /nfs/dbraw/zinc/28/73/68/439287368.db2.gz QCEWLKPKSWVRKW-ZDUSSCGKSA-N 2 2 344.375 0.495 20 5 ECBDLP O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2cccnc2-n2cc[nH+]c2)c1 ZINC000818947945 587461589 /nfs/dbraw/zinc/46/15/89/587461589.db2.gz VEPKZQUZGBHNFT-AWEZNQCLSA-N 2 2 343.347 0.523 20 5 ECBDLP C[N@H+](CCO)CCNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000884825190 590930382 /nfs/dbraw/zinc/93/03/82/590930382.db2.gz KNHPWMZHVVNFAX-UHFFFAOYSA-N 2 2 338.408 0.763 20 5 ECBDLP C[N@@H+](CCO)CCNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000884825190 590930386 /nfs/dbraw/zinc/93/03/86/590930386.db2.gz KNHPWMZHVVNFAX-UHFFFAOYSA-N 2 2 338.408 0.763 20 5 ECBDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000356449834 299391150 /nfs/dbraw/zinc/39/11/50/299391150.db2.gz VBCZVEBIGWDUSH-UHFFFAOYSA-N 2 2 338.412 0.426 20 5 ECBDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000356449834 299391152 /nfs/dbraw/zinc/39/11/52/299391152.db2.gz VBCZVEBIGWDUSH-UHFFFAOYSA-N 2 2 338.412 0.426 20 5 ECBDLP Cc1nc(N2CC[NH+](C)CC2)nc(N2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000159716864 436863695 /nfs/dbraw/zinc/86/36/95/436863695.db2.gz TWCWAKAFAFIUDU-UHFFFAOYSA-N 2 2 335.412 0.197 20 5 ECBDLP O=C(C[NH+]1CCCC1)N1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176229751 437135201 /nfs/dbraw/zinc/13/52/01/437135201.db2.gz GDFDQKRWDLXREK-UHFFFAOYSA-N 2 2 336.396 0.031 20 5 ECBDLP CN(Cc1c([N+](=O)[O-])ncn1C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000367622238 438229609 /nfs/dbraw/zinc/22/96/09/438229609.db2.gz GSYUAIKECQYQIK-AWEZNQCLSA-N 2 2 336.440 0.929 20 5 ECBDLP CN(Cc1c([N+](=O)[O-])ncn1C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000367622238 438229613 /nfs/dbraw/zinc/22/96/13/438229613.db2.gz GSYUAIKECQYQIK-AWEZNQCLSA-N 2 2 336.440 0.929 20 5 ECBDLP COC(=O)COc1ccc(C[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)cc1[N+](=O)[O-] ZINC000591281911 438995945 /nfs/dbraw/zinc/99/59/45/438995945.db2.gz UWLOYKAVASWOIS-RYUDHWBXSA-N 2 2 341.339 0.936 20 5 ECBDLP C[N@H+](CCOc1cccc([N+](=O)[O-])c1)CC(=O)N1CC[NH+](C)CC1 ZINC000602989601 439178137 /nfs/dbraw/zinc/17/81/37/439178137.db2.gz VXNUDAVYNZTHPY-UHFFFAOYSA-N 2 2 336.392 0.679 20 5 ECBDLP C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)CC(=O)N1CC[NH+](C)CC1 ZINC000602989601 439178142 /nfs/dbraw/zinc/17/81/42/439178142.db2.gz VXNUDAVYNZTHPY-UHFFFAOYSA-N 2 2 336.392 0.679 20 5 ECBDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000597989922 439206666 /nfs/dbraw/zinc/20/66/66/439206666.db2.gz NNSJUVUIKJIKEQ-UHFFFAOYSA-N 2 2 325.369 0.309 20 5 ECBDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000597989922 439206673 /nfs/dbraw/zinc/20/66/73/439206673.db2.gz NNSJUVUIKJIKEQ-UHFFFAOYSA-N 2 2 325.369 0.309 20 5 ECBDLP C[N@H+](CCN1CC[NH2+]CC1)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000592472098 439236569 /nfs/dbraw/zinc/23/65/69/439236569.db2.gz KZSAQTKBHAGVOJ-UHFFFAOYSA-N 2 2 346.391 0.982 20 5 ECBDLP C[N@@H+](CCN1CC[NH2+]CC1)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000592472098 439236571 /nfs/dbraw/zinc/23/65/71/439236571.db2.gz KZSAQTKBHAGVOJ-UHFFFAOYSA-N 2 2 346.391 0.982 20 5 ECBDLP Cn1cc[nH+]c1[C@H](NC[C@H]1COCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000600709832 439694103 /nfs/dbraw/zinc/69/41/03/439694103.db2.gz KFGDQNQRDJIGEE-DZGCQCFKSA-N 2 2 331.376 0.996 20 5 ECBDLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000430631386 210393623 /nfs/dbraw/zinc/39/36/23/210393623.db2.gz BGNVENUAGCPIAO-UHFFFAOYSA-N 2 2 333.348 0.600 20 5 ECBDLP C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000430631386 210393619 /nfs/dbraw/zinc/39/36/19/210393619.db2.gz BGNVENUAGCPIAO-UHFFFAOYSA-N 2 2 333.348 0.600 20 5 ECBDLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000362831002 300225278 /nfs/dbraw/zinc/22/52/78/300225278.db2.gz OANPJLXIHLSRNH-CQSZACIVSA-N 2 2 348.403 0.870 20 5 ECBDLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000362831002 300225280 /nfs/dbraw/zinc/22/52/80/300225280.db2.gz OANPJLXIHLSRNH-CQSZACIVSA-N 2 2 348.403 0.870 20 5 ECBDLP C[C@H]1CN(Cc2c([N+](=O)[O-])ncn2C)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000374597450 301115793 /nfs/dbraw/zinc/11/57/93/301115793.db2.gz UVOCJADSJDLLQB-ZDUSSCGKSA-N 2 2 336.440 0.929 20 5 ECBDLP C[C@H]1CN(Cc2c([N+](=O)[O-])ncn2C)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000374597450 301115795 /nfs/dbraw/zinc/11/57/95/301115795.db2.gz UVOCJADSJDLLQB-ZDUSSCGKSA-N 2 2 336.440 0.929 20 5 ECBDLP O=C1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CN1CC[NH+]1CCOCC1 ZINC000178907836 437238627 /nfs/dbraw/zinc/23/86/27/437238627.db2.gz ZHRPPLJNAAXOAU-HNNXBMFYSA-N 2 2 348.403 0.618 20 5 ECBDLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000846669094 589217680 /nfs/dbraw/zinc/21/76/80/589217680.db2.gz XFBLHAUTJHQTBO-HNNXBMFYSA-N 2 2 335.408 0.522 20 5 ECBDLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000362831001 300225881 /nfs/dbraw/zinc/22/58/81/300225881.db2.gz OANPJLXIHLSRNH-AWEZNQCLSA-N 2 2 348.403 0.870 20 5 ECBDLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000362831001 300225883 /nfs/dbraw/zinc/22/58/83/300225883.db2.gz OANPJLXIHLSRNH-AWEZNQCLSA-N 2 2 348.403 0.870 20 5 ECBDLP CCC[NH+]1CCC([NH+]2CCN(c3ncc([N+](=O)[O-])c(N)n3)CC2)CC1 ZINC000362704384 437750693 /nfs/dbraw/zinc/75/06/93/437750693.db2.gz UAZCBDCRYZUYGJ-UHFFFAOYSA-N 2 2 349.439 0.963 20 5 ECBDLP C[NH+]1CCC([NH+]2CCC(CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC000371084436 437883066 /nfs/dbraw/zinc/88/30/66/437883066.db2.gz GZOZQXGGFNWQNE-HZPDHXFCSA-N 2 2 338.452 0.964 20 5 ECBDLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CC(=O)Nc3cc4c(cc3[N+](=O)[O-])OCO4)C[C@@H]12 ZINC000351479261 438266247 /nfs/dbraw/zinc/26/62/47/438266247.db2.gz QXWZPUJKAKKNBW-GMTAPVOTSA-N 2 2 348.359 0.931 20 5 ECBDLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC(=O)Nc3cc4c(cc3[N+](=O)[O-])OCO4)C[C@@H]12 ZINC000351479261 438266249 /nfs/dbraw/zinc/26/62/49/438266249.db2.gz QXWZPUJKAKKNBW-GMTAPVOTSA-N 2 2 348.359 0.931 20 5 ECBDLP C[NH+]1CCN(C[C@@H](O)C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000569475887 439336671 /nfs/dbraw/zinc/33/66/71/439336671.db2.gz NUAUMWDLCURQTD-ZDUSSCGKSA-N 2 2 348.407 0.169 20 5 ECBDLP Cn1cc([N+](=O)[O-])c(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)n1 ZINC000611538490 439705289 /nfs/dbraw/zinc/70/52/89/439705289.db2.gz QSZMCQAFQVGLKL-UHFFFAOYSA-N 2 2 345.363 0.727 20 5 ECBDLP Cc1noc(C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000595408337 439724366 /nfs/dbraw/zinc/72/43/66/439724366.db2.gz JCGYIYJBOYNZJM-UHFFFAOYSA-N 2 2 340.380 0.550 20 5 ECBDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000855418029 589630894 /nfs/dbraw/zinc/63/08/94/589630894.db2.gz TZLHMHRMXDXHHF-OAHLLOKOSA-N 2 2 338.408 0.628 20 5 ECBDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000855418029 589630895 /nfs/dbraw/zinc/63/08/95/589630895.db2.gz TZLHMHRMXDXHHF-OAHLLOKOSA-N 2 2 338.408 0.628 20 5 ECBDLP Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001020819207 752209945 /nfs/dbraw/zinc/20/99/45/752209945.db2.gz SUXMIWSYLZZRQS-MGCOHNPYSA-N 2 2 333.352 0.031 20 5 ECBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362825899 437755719 /nfs/dbraw/zinc/75/57/19/437755719.db2.gz KQOHEYDGQKMUJX-OAHLLOKOSA-N 2 2 348.403 1.000 20 5 ECBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362825899 437755721 /nfs/dbraw/zinc/75/57/21/437755721.db2.gz KQOHEYDGQKMUJX-OAHLLOKOSA-N 2 2 348.403 1.000 20 5 ECBDLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000442751526 438622437 /nfs/dbraw/zinc/62/24/37/438622437.db2.gz CCHNHEWKASFPIK-UWVGGRQHSA-N 2 2 336.348 0.931 20 5 ECBDLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000442751526 438622438 /nfs/dbraw/zinc/62/24/38/438622438.db2.gz CCHNHEWKASFPIK-UWVGGRQHSA-N 2 2 336.348 0.931 20 5 ECBDLP O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC000415075375 438728048 /nfs/dbraw/zinc/72/80/48/438728048.db2.gz DWOHRFKEISCKQF-LLVKDONJSA-N 2 2 328.394 0.215 20 5 ECBDLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000597943303 439202810 /nfs/dbraw/zinc/20/28/10/439202810.db2.gz XJFLBSGZTWORFB-NSHDSACASA-N 2 2 339.396 0.697 20 5 ECBDLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000597943303 439202812 /nfs/dbraw/zinc/20/28/12/439202812.db2.gz XJFLBSGZTWORFB-NSHDSACASA-N 2 2 339.396 0.697 20 5 ECBDLP C[N@H+](CCN1CC[NH2+]CC1)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000592472077 439236138 /nfs/dbraw/zinc/23/61/38/439236138.db2.gz IDQVJCBROCJBDD-UHFFFAOYSA-N 2 2 347.419 0.321 20 5 ECBDLP C[N@@H+](CCN1CC[NH2+]CC1)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000592472077 439236143 /nfs/dbraw/zinc/23/61/43/439236143.db2.gz IDQVJCBROCJBDD-UHFFFAOYSA-N 2 2 347.419 0.321 20 5 ECBDLP Cn1cc[nH+]c1[C@@H](NC[C@@H]1COCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000600709840 439693752 /nfs/dbraw/zinc/69/37/52/439693752.db2.gz KFGDQNQRDJIGEE-HIFRSBDPSA-N 2 2 331.376 0.996 20 5 ECBDLP O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000562370488 322271631 /nfs/dbraw/zinc/27/16/31/322271631.db2.gz PUUOUDAVFIQCCK-CYBMUJFWSA-N 2 2 347.375 0.880 20 5 ECBDLP C[NH+]1CCN(C[C@@H](O)C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000819150261 587470545 /nfs/dbraw/zinc/47/05/45/587470545.db2.gz OJYHNTNYMOCQGA-AWEZNQCLSA-N 2 2 342.827 0.946 20 5 ECBDLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000372330218 438070689 /nfs/dbraw/zinc/07/06/89/438070689.db2.gz KGCDGNVWCFIULS-ZDUSSCGKSA-N 2 2 336.396 0.202 20 5 ECBDLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000372330218 438070691 /nfs/dbraw/zinc/07/06/91/438070691.db2.gz KGCDGNVWCFIULS-ZDUSSCGKSA-N 2 2 336.396 0.202 20 5 ECBDLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422979795 438623348 /nfs/dbraw/zinc/62/33/48/438623348.db2.gz KGWZKQPEDXBCRQ-RYUDHWBXSA-N 2 2 342.421 0.461 20 5 ECBDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccnc(N)c3[N+](=O)[O-])C2)CC1 ZINC000594287439 439536137 /nfs/dbraw/zinc/53/61/37/439536137.db2.gz AUMXQCYMSVKQIX-NSHDSACASA-N 2 2 348.407 0.470 20 5 ECBDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccnc(N)c3[N+](=O)[O-])C2)CC1 ZINC000594287439 439536142 /nfs/dbraw/zinc/53/61/42/439536142.db2.gz AUMXQCYMSVKQIX-NSHDSACASA-N 2 2 348.407 0.470 20 5 ECBDLP CN(C)c1[nH+]cc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])n1C ZINC000584586279 439603361 /nfs/dbraw/zinc/60/33/61/439603361.db2.gz SFSFQHZWGNZKMC-ZDUSSCGKSA-N 2 2 349.391 0.924 20 5 ECBDLP Cn1c[nH+]c(CC[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000564858389 322401019 /nfs/dbraw/zinc/40/10/19/322401019.db2.gz CDWBBIXLKQTMKP-UHFFFAOYSA-N 2 2 338.389 0.934 20 5 ECBDLP O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](C[C@@H](O)C[NH+]3CCCC3)C2)nc1 ZINC000749323225 579336505 /nfs/dbraw/zinc/33/65/05/579336505.db2.gz FBCODCMYSQGKLC-ZFWWWQNUSA-N 2 2 335.408 0.933 20 5 ECBDLP O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](C[C@@H](O)C[NH+]3CCCC3)C2)nc1 ZINC000749323225 579336507 /nfs/dbraw/zinc/33/65/07/579336507.db2.gz FBCODCMYSQGKLC-ZFWWWQNUSA-N 2 2 335.408 0.933 20 5 ECBDLP COC(=O)CCC[NH+]1CCC([NH2+]CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000271772820 263328803 /nfs/dbraw/zinc/32/88/03/263328803.db2.gz FRKBIEMBVAKJKY-UHFFFAOYSA-N 2 2 339.396 0.799 20 5 ECBDLP [NH3+]C[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCO1 ZINC000274715689 436863391 /nfs/dbraw/zinc/86/33/91/436863391.db2.gz AMAGJDZZBKZPRM-LBPRGKRZSA-N 2 2 331.332 0.580 20 5 ECBDLP C[NH+]1CCC([NH+]2CCC(CCNC(=O)[C@@H]3C[C@@H]3[N+](=O)[O-])CC2)CC1 ZINC000371084434 437884268 /nfs/dbraw/zinc/88/42/68/437884268.db2.gz GZOZQXGGFNWQNE-CVEARBPZSA-N 2 2 338.452 0.964 20 5 ECBDLP C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CC[NH+](CCO)CC1 ZINC000357649286 438037217 /nfs/dbraw/zinc/03/72/17/438037217.db2.gz PBMXVXMHVOYJDK-UHFFFAOYSA-N 2 2 336.392 0.582 20 5 ECBDLP C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CC[NH+](CCO)CC1 ZINC000357649286 438037219 /nfs/dbraw/zinc/03/72/19/438037219.db2.gz PBMXVXMHVOYJDK-UHFFFAOYSA-N 2 2 336.392 0.582 20 5 ECBDLP C[C@H]([NH3+])[C@H]1CC[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000351864214 438351655 /nfs/dbraw/zinc/35/16/55/438351655.db2.gz WTJCOYFMNHOSGO-UWVGGRQHSA-N 2 2 336.348 0.931 20 5 ECBDLP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000351864214 438351658 /nfs/dbraw/zinc/35/16/58/438351658.db2.gz WTJCOYFMNHOSGO-UWVGGRQHSA-N 2 2 336.348 0.931 20 5 ECBDLP C[C@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]1 ZINC000422949494 438619821 /nfs/dbraw/zinc/61/98/21/438619821.db2.gz VHOGZNZNRGYQLF-FZMZJTMJSA-N 2 2 342.421 0.603 20 5 ECBDLP O=C(C[NH2+]C1(CO)CC[NH2+]CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000595902822 438880797 /nfs/dbraw/zinc/88/07/97/438880797.db2.gz SFSOCSPJOJUDOL-UHFFFAOYSA-N 2 2 334.376 0.188 20 5 ECBDLP C[NH+](C)C[C@H](CO)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000597652711 439149397 /nfs/dbraw/zinc/14/93/97/439149397.db2.gz FMZDBIBPORVUCH-GFCCVEGCSA-N 2 2 333.348 0.433 20 5 ECBDLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000863570457 590024424 /nfs/dbraw/zinc/02/44/24/590024424.db2.gz HOCPSVPZAMTCKG-LSDHHAIUSA-N 2 2 336.392 0.558 20 5 ECBDLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000863570457 590024427 /nfs/dbraw/zinc/02/44/27/590024427.db2.gz HOCPSVPZAMTCKG-LSDHHAIUSA-N 2 2 336.392 0.558 20 5 ECBDLP O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC000415075376 438728562 /nfs/dbraw/zinc/72/85/62/438728562.db2.gz DWOHRFKEISCKQF-NSHDSACASA-N 2 2 328.394 0.215 20 5 ECBDLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3cn(C)nc3[N+](=O)[O-])C2)CC1 ZINC000602487368 439099120 /nfs/dbraw/zinc/09/91/20/439099120.db2.gz XCUVIXOLTSUTLU-HNNXBMFYSA-N 2 2 336.440 0.929 20 5 ECBDLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3cn(C)nc3[N+](=O)[O-])C2)CC1 ZINC000602487368 439099124 /nfs/dbraw/zinc/09/91/24/439099124.db2.gz XCUVIXOLTSUTLU-HNNXBMFYSA-N 2 2 336.440 0.929 20 5 ECBDLP Cc1cccn2cc(CC[NH2+]C[C@H](O)Cn3cc([N+](=O)[O-])cn3)[nH+]c12 ZINC000591748340 439079362 /nfs/dbraw/zinc/07/93/62/439079362.db2.gz SHUZWFRNGAFQFP-HNNXBMFYSA-N 2 2 344.375 0.941 20 5 ECBDLP Cc1n[nH]c(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000609571778 439577304 /nfs/dbraw/zinc/57/73/04/439577304.db2.gz JKQHNNDACNPOCC-LLVKDONJSA-N 2 2 336.396 0.525 20 5 ECBDLP Cc1n[nH]c(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000609571778 439577308 /nfs/dbraw/zinc/57/73/08/439577308.db2.gz JKQHNNDACNPOCC-LLVKDONJSA-N 2 2 336.396 0.525 20 5 ECBDLP Cn1cc[nH+]c1[C@@H](NC[C@H]1COCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000600709849 439694438 /nfs/dbraw/zinc/69/44/38/439694438.db2.gz KFGDQNQRDJIGEE-ZFWWWQNUSA-N 2 2 331.376 0.996 20 5 ECBDLP O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000562370489 322271512 /nfs/dbraw/zinc/27/15/12/322271512.db2.gz PUUOUDAVFIQCCK-ZDUSSCGKSA-N 2 2 347.375 0.880 20 5 ECBDLP C[NH+](C)CC(=O)N1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776580372 579284705 /nfs/dbraw/zinc/28/47/05/579284705.db2.gz XKHLPLDFADZGOH-OAHLLOKOSA-N 2 2 336.392 0.334 20 5 ECBDLP O=[N+]([O-])c1ccn(CC[N@H+]2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)n1 ZINC000903510063 586781094 /nfs/dbraw/zinc/78/10/94/586781094.db2.gz MNLNEAJAFWADMF-GASCZTMLSA-N 2 2 334.424 0.692 20 5 ECBDLP O=[N+]([O-])c1ccn(CC[N@@H+]2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)n1 ZINC000903510063 586781095 /nfs/dbraw/zinc/78/10/95/586781095.db2.gz MNLNEAJAFWADMF-GASCZTMLSA-N 2 2 334.424 0.692 20 5 ECBDLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000422940673 438618668 /nfs/dbraw/zinc/61/86/68/438618668.db2.gz TYWXZPISIHICBG-FZMZJTMJSA-N 2 2 342.421 0.461 20 5 ECBDLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000579104039 438980446 /nfs/dbraw/zinc/98/04/46/438980446.db2.gz ZZMYSQDNTGLBLZ-KBPBESRZSA-N 2 2 338.408 0.170 20 5 ECBDLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000579104039 438980450 /nfs/dbraw/zinc/98/04/50/438980450.db2.gz ZZMYSQDNTGLBLZ-KBPBESRZSA-N 2 2 338.408 0.170 20 5 ECBDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000597989237 439207731 /nfs/dbraw/zinc/20/77/31/439207731.db2.gz ACYRYZSUEQAQSF-UHFFFAOYSA-N 2 2 340.428 0.526 20 5 ECBDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000597989237 439207735 /nfs/dbraw/zinc/20/77/35/439207735.db2.gz ACYRYZSUEQAQSF-UHFFFAOYSA-N 2 2 340.428 0.526 20 5 ECBDLP CNc1nccc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1[N+](=O)[O-] ZINC000597990483 439208893 /nfs/dbraw/zinc/20/88/93/439208893.db2.gz XCGPRLCHLDKSCX-UHFFFAOYSA-N 2 2 338.412 0.645 20 5 ECBDLP CNc1nccc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1[N+](=O)[O-] ZINC000597990483 439208897 /nfs/dbraw/zinc/20/88/97/439208897.db2.gz XCGPRLCHLDKSCX-UHFFFAOYSA-N 2 2 338.412 0.645 20 5 ECBDLP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC[N@@H+]1CC[C@H](O)C1 ZINC000599093248 439355990 /nfs/dbraw/zinc/35/59/90/439355990.db2.gz NEVZCRZJQPBSPU-WFASDCNBSA-N 2 2 336.392 0.968 20 5 ECBDLP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC[N@H+]1CC[C@H](O)C1 ZINC000599093248 439355992 /nfs/dbraw/zinc/35/59/92/439355992.db2.gz NEVZCRZJQPBSPU-WFASDCNBSA-N 2 2 336.392 0.968 20 5 ECBDLP C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)C[C@H](O)C[NH3+] ZINC000842475899 589031945 /nfs/dbraw/zinc/03/19/45/589031945.db2.gz WFXOXYAVNRIMJS-PSASIEDQSA-N 2 2 330.772 0.827 20 5 ECBDLP C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000842475899 589031946 /nfs/dbraw/zinc/03/19/46/589031946.db2.gz WFXOXYAVNRIMJS-PSASIEDQSA-N 2 2 330.772 0.827 20 5 ECBDLP O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)c1 ZINC000818951581 587461660 /nfs/dbraw/zinc/46/16/60/587461660.db2.gz KHZVFJFBNDABMN-CQSZACIVSA-N 2 2 343.347 0.523 20 5 ECBDLP Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001022889635 759258472 /nfs/dbraw/zinc/25/84/72/759258472.db2.gz SUXMIWSYLZZRQS-AOOOYVTPSA-N 2 2 333.352 0.031 20 5 ECBDLP O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000369335440 300728614 /nfs/dbraw/zinc/72/86/14/300728614.db2.gz QFRVCNAHTCIIFI-CABCVRRESA-N 2 2 343.343 0.593 20 5 ECBDLP C[NH+]1CCC([NH+]2CCC(CCNC(=O)[C@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC000371084437 437884339 /nfs/dbraw/zinc/88/43/39/437884339.db2.gz GZOZQXGGFNWQNE-JKSUJKDBSA-N 2 2 338.452 0.964 20 5 ECBDLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000358049882 438132742 /nfs/dbraw/zinc/13/27/42/438132742.db2.gz SFTSZKCMVYQGMQ-NWDGAFQWSA-N 2 2 342.421 0.413 20 5 ECBDLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000358049882 438132746 /nfs/dbraw/zinc/13/27/46/438132746.db2.gz SFTSZKCMVYQGMQ-NWDGAFQWSA-N 2 2 342.421 0.413 20 5 ECBDLP C[N@H+](C[C@H](O)C[NH+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CC1 ZINC000351713988 438325493 /nfs/dbraw/zinc/32/54/93/438325493.db2.gz XYYCLJIOAJROIV-WFASDCNBSA-N 2 2 335.408 0.931 20 5 ECBDLP C[N@@H+](C[C@H](O)C[NH+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CC1 ZINC000351713988 438325496 /nfs/dbraw/zinc/32/54/96/438325496.db2.gz XYYCLJIOAJROIV-WFASDCNBSA-N 2 2 335.408 0.931 20 5 ECBDLP C[NH+](C[C@H](O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CC1 ZINC000351713988 438325499 /nfs/dbraw/zinc/32/54/99/438325499.db2.gz XYYCLJIOAJROIV-WFASDCNBSA-N 2 2 335.408 0.931 20 5 ECBDLP C[NH+](C[C@H](O)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CC1 ZINC000351713988 438325501 /nfs/dbraw/zinc/32/55/01/438325501.db2.gz XYYCLJIOAJROIV-WFASDCNBSA-N 2 2 335.408 0.931 20 5 ECBDLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000516533148 438911818 /nfs/dbraw/zinc/91/18/18/438911818.db2.gz WCNJIQLSJKRPKZ-GJZGRUSLSA-N 2 2 341.412 0.099 20 5 ECBDLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000516533148 438911824 /nfs/dbraw/zinc/91/18/24/438911824.db2.gz WCNJIQLSJKRPKZ-GJZGRUSLSA-N 2 2 341.412 0.099 20 5 ECBDLP CCO[C@@H]1C[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000593736766 439458851 /nfs/dbraw/zinc/45/88/51/439458851.db2.gz HVINGAAWSQQLGZ-IUODEOHRSA-N 2 2 336.392 0.853 20 5 ECBDLP CCO[C@@H]1C[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000593736766 439458859 /nfs/dbraw/zinc/45/88/59/439458859.db2.gz HVINGAAWSQQLGZ-IUODEOHRSA-N 2 2 336.392 0.853 20 5 ECBDLP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000594822271 439622213 /nfs/dbraw/zinc/62/22/13/439622213.db2.gz UZWQHTUUGMRBNQ-UHFFFAOYSA-N 2 2 344.437 0.757 20 5 ECBDLP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000594822271 439622216 /nfs/dbraw/zinc/62/22/16/439622216.db2.gz UZWQHTUUGMRBNQ-UHFFFAOYSA-N 2 2 344.437 0.757 20 5 ECBDLP Cc1cc[nH+]cc1N1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000340107573 321017159 /nfs/dbraw/zinc/01/71/59/321017159.db2.gz YGNONZKYJMOSIY-HNNXBMFYSA-N 2 2 346.391 0.678 20 5 ECBDLP C[N@@H+]1CCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)[C@@H](C[NH3+])C1 ZINC000834306666 588894859 /nfs/dbraw/zinc/89/48/59/588894859.db2.gz AHZXAPVQNOQVTR-ZDUSSCGKSA-N 2 2 332.364 0.046 20 5 ECBDLP C[N@H+]1CCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)[C@@H](C[NH3+])C1 ZINC000834306666 588894861 /nfs/dbraw/zinc/89/48/61/588894861.db2.gz AHZXAPVQNOQVTR-ZDUSSCGKSA-N 2 2 332.364 0.046 20 5 ECBDLP O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)c1 ZINC000818951580 587461529 /nfs/dbraw/zinc/46/15/29/587461529.db2.gz KHZVFJFBNDABMN-AWEZNQCLSA-N 2 2 343.347 0.523 20 5 ECBDLP Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000345191530 298128532 /nfs/dbraw/zinc/12/85/32/298128532.db2.gz SIPJVIKQYQVVRZ-UHFFFAOYSA-N 2 2 338.412 0.218 20 5 ECBDLP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000351864215 438351768 /nfs/dbraw/zinc/35/17/68/438351768.db2.gz WTJCOYFMNHOSGO-VHSXEESVSA-N 2 2 336.348 0.931 20 5 ECBDLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000351864215 438351769 /nfs/dbraw/zinc/35/17/69/438351769.db2.gz WTJCOYFMNHOSGO-VHSXEESVSA-N 2 2 336.348 0.931 20 5 ECBDLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3c([N+](=O)[O-])ncn3C)C2)CC1 ZINC000370047681 438547101 /nfs/dbraw/zinc/54/71/01/438547101.db2.gz ZJUNXVOYNBASDO-CQSZACIVSA-N 2 2 336.440 0.929 20 5 ECBDLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3c([N+](=O)[O-])ncn3C)C2)CC1 ZINC000370047681 438547103 /nfs/dbraw/zinc/54/71/03/438547103.db2.gz ZJUNXVOYNBASDO-CQSZACIVSA-N 2 2 336.440 0.929 20 5 ECBDLP COc1ccc(CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000518496559 439000676 /nfs/dbraw/zinc/00/06/76/439000676.db2.gz QMPDGUZZBOTKQQ-GFCCVEGCSA-N 2 2 337.380 0.388 20 5 ECBDLP COc1ccc(CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000518496559 439000682 /nfs/dbraw/zinc/00/06/82/439000682.db2.gz QMPDGUZZBOTKQQ-GFCCVEGCSA-N 2 2 337.380 0.388 20 5 ECBDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000112921358 436634287 /nfs/dbraw/zinc/63/42/87/436634287.db2.gz RHIZEVJWBNPRMR-UHFFFAOYSA-N 2 2 338.412 0.276 20 5 ECBDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000112921358 436634288 /nfs/dbraw/zinc/63/42/88/436634288.db2.gz RHIZEVJWBNPRMR-UHFFFAOYSA-N 2 2 338.412 0.276 20 5 ECBDLP O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000424046423 437882433 /nfs/dbraw/zinc/88/24/33/437882433.db2.gz QFRVCNAHTCIIFI-LSDHHAIUSA-N 2 2 343.343 0.593 20 5 ECBDLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422979794 438623528 /nfs/dbraw/zinc/62/35/28/438623528.db2.gz KGWZKQPEDXBCRQ-NWDGAFQWSA-N 2 2 342.421 0.461 20 5 ECBDLP CC(C)C[C@H]([NH3+])C[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000415084084 438728022 /nfs/dbraw/zinc/72/80/22/438728022.db2.gz QXCLWVRZUFQGCR-LBPRGKRZSA-N 2 2 344.437 0.836 20 5 ECBDLP O=C([C@@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1)N1CC[NH2+]CC1 ZINC000593724982 439455047 /nfs/dbraw/zinc/45/50/47/439455047.db2.gz DEWBKCKTIINNRH-CYBMUJFWSA-N 2 2 348.403 0.944 20 5 ECBDLP O=C([C@@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1)N1CC[NH2+]CC1 ZINC000593724982 439455052 /nfs/dbraw/zinc/45/50/52/439455052.db2.gz DEWBKCKTIINNRH-CYBMUJFWSA-N 2 2 348.403 0.944 20 5 ECBDLP CN(C)c1[nH+]cc(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)n1C ZINC000566791964 322554488 /nfs/dbraw/zinc/55/44/88/322554488.db2.gz HLKAXDHSOMXDLN-CQSZACIVSA-N 2 2 349.391 0.924 20 5 ECBDLP C[N@@H+]1CCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)[C@H](C[NH3+])C1 ZINC000834306665 588894905 /nfs/dbraw/zinc/89/49/05/588894905.db2.gz AHZXAPVQNOQVTR-CYBMUJFWSA-N 2 2 332.364 0.046 20 5 ECBDLP C[N@H+]1CCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)[C@H](C[NH3+])C1 ZINC000834306665 588894906 /nfs/dbraw/zinc/89/49/06/588894906.db2.gz AHZXAPVQNOQVTR-CYBMUJFWSA-N 2 2 332.364 0.046 20 5 ECBDLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000863570456 590024236 /nfs/dbraw/zinc/02/42/36/590024236.db2.gz HOCPSVPZAMTCKG-GJZGRUSLSA-N 2 2 336.392 0.558 20 5 ECBDLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000863570456 590024237 /nfs/dbraw/zinc/02/42/37/590024237.db2.gz HOCPSVPZAMTCKG-GJZGRUSLSA-N 2 2 336.392 0.558 20 5 ECBDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000193620189 263167524 /nfs/dbraw/zinc/16/75/24/263167524.db2.gz MSWOTZXDLQAZJN-UHFFFAOYSA-N 2 2 338.412 0.276 20 5 ECBDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000193620189 263167525 /nfs/dbraw/zinc/16/75/25/263167525.db2.gz MSWOTZXDLQAZJN-UHFFFAOYSA-N 2 2 338.412 0.276 20 5 ECBDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cc([N+](=O)[O-])cnc3N)C2)CC1 ZINC000363869554 300301597 /nfs/dbraw/zinc/30/15/97/300301597.db2.gz RISWRALBVJBVFF-NSHDSACASA-N 2 2 348.407 0.470 20 5 ECBDLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000372330217 438069236 /nfs/dbraw/zinc/06/92/36/438069236.db2.gz KGCDGNVWCFIULS-CYBMUJFWSA-N 2 2 336.396 0.202 20 5 ECBDLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000372330217 438069239 /nfs/dbraw/zinc/06/92/39/438069239.db2.gz KGCDGNVWCFIULS-CYBMUJFWSA-N 2 2 336.396 0.202 20 5 ECBDLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CC(=O)Nc3cc4c(cc3[N+](=O)[O-])OCO4)C[C@H]12 ZINC000351479263 438266940 /nfs/dbraw/zinc/26/69/40/438266940.db2.gz QXWZPUJKAKKNBW-OUAUKWLOSA-N 2 2 348.359 0.931 20 5 ECBDLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC(=O)Nc3cc4c(cc3[N+](=O)[O-])OCO4)C[C@H]12 ZINC000351479263 438266944 /nfs/dbraw/zinc/26/69/44/438266944.db2.gz QXWZPUJKAKKNBW-OUAUKWLOSA-N 2 2 348.359 0.931 20 5 ECBDLP CC(C)C[C@@H]([NH3+])C[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000415084083 438729216 /nfs/dbraw/zinc/72/92/16/438729216.db2.gz QXCLWVRZUFQGCR-GFCCVEGCSA-N 2 2 344.437 0.836 20 5 ECBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C1(CO)CC[NH2+]CC1 ZINC000595901626 438881325 /nfs/dbraw/zinc/88/13/25/438881325.db2.gz GDLLTJGYUUBXEE-UHFFFAOYSA-N 2 2 338.364 0.246 20 5 ECBDLP COc1ccc(CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000518496560 439000899 /nfs/dbraw/zinc/00/08/99/439000899.db2.gz QMPDGUZZBOTKQQ-LBPRGKRZSA-N 2 2 337.380 0.388 20 5 ECBDLP COc1ccc(CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000518496560 439000902 /nfs/dbraw/zinc/00/09/02/439000902.db2.gz QMPDGUZZBOTKQQ-LBPRGKRZSA-N 2 2 337.380 0.388 20 5 ECBDLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3cn(C)nc3[N+](=O)[O-])C2)CC1 ZINC000602487370 439097739 /nfs/dbraw/zinc/09/77/39/439097739.db2.gz XCUVIXOLTSUTLU-OAHLLOKOSA-N 2 2 336.440 0.929 20 5 ECBDLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cn(C)nc3[N+](=O)[O-])C2)CC1 ZINC000602487370 439097744 /nfs/dbraw/zinc/09/77/44/439097744.db2.gz XCUVIXOLTSUTLU-OAHLLOKOSA-N 2 2 336.440 0.929 20 5 ECBDLP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000592165260 439169032 /nfs/dbraw/zinc/16/90/32/439169032.db2.gz CWHVJRRAZPZPOO-UHFFFAOYSA-N 2 2 344.437 0.757 20 5 ECBDLP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000592165260 439169038 /nfs/dbraw/zinc/16/90/38/439169038.db2.gz CWHVJRRAZPZPOO-UHFFFAOYSA-N 2 2 344.437 0.757 20 5 ECBDLP O=[N+]([O-])c1cc2c(cc1C[NH+]1CCN([C@H]3CC[NH2+]C3)CC1)OCCO2 ZINC000592434884 439227128 /nfs/dbraw/zinc/22/71/28/439227128.db2.gz PYRZZEUNKOXUEC-AWEZNQCLSA-N 2 2 348.403 0.846 20 5 ECBDLP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC[N@@H+]1CC[C@@H](O)C1 ZINC000599085231 439353485 /nfs/dbraw/zinc/35/34/85/439353485.db2.gz NEVZCRZJQPBSPU-SWLSCSKDSA-N 2 2 336.392 0.968 20 5 ECBDLP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC[N@H+]1CC[C@@H](O)C1 ZINC000599085231 439353489 /nfs/dbraw/zinc/35/34/89/439353489.db2.gz NEVZCRZJQPBSPU-SWLSCSKDSA-N 2 2 336.392 0.968 20 5 ECBDLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000593926493 439496689 /nfs/dbraw/zinc/49/66/89/439496689.db2.gz WYTRMNXQDMTCQZ-GFCCVEGCSA-N 2 2 332.364 1.202 20 5 ECBDLP O=[N+]([O-])CC[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000905112400 586871205 /nfs/dbraw/zinc/87/12/05/586871205.db2.gz YXPKGFDRILPAQU-CYBMUJFWSA-N 2 2 336.396 0.148 20 5 ECBDLP C[NH+](C)C[C@@](C)(O)CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450203796 211312227 /nfs/dbraw/zinc/31/22/27/211312227.db2.gz HYCDBMHGXFBJIK-INIZCTEOSA-N 2 2 347.375 0.823 20 5 ECBDLP Cc1nc([N+](=O)[O-])cn1CC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000267239505 437308896 /nfs/dbraw/zinc/30/88/96/437308896.db2.gz KIGCUXOCNZTLHQ-UHFFFAOYSA-N 2 2 338.412 0.242 20 5 ECBDLP CN(c1ncc([N+](=O)[O-])c(N)n1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363063409 437766657 /nfs/dbraw/zinc/76/66/57/437766657.db2.gz AYTKAGJDSOBUII-LBPRGKRZSA-N 2 2 335.412 0.572 20 5 ECBDLP CN(c1ncc([N+](=O)[O-])c(N)n1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363063409 437766660 /nfs/dbraw/zinc/76/66/60/437766660.db2.gz AYTKAGJDSOBUII-LBPRGKRZSA-N 2 2 335.412 0.572 20 5 ECBDLP C[C@@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]1 ZINC000422936411 438618809 /nfs/dbraw/zinc/61/88/09/438618809.db2.gz MIXCPOSLIYYOKE-RISCZKNCSA-N 2 2 342.421 0.603 20 5 ECBDLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CCC2 ZINC000591757162 439081593 /nfs/dbraw/zinc/08/15/93/439081593.db2.gz MONQHSVGGUORPC-TZMCWYRMSA-N 2 2 334.380 0.824 20 5 ECBDLP Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000602790496 439134069 /nfs/dbraw/zinc/13/40/69/439134069.db2.gz JVNGXLTTXQGSPE-HNNXBMFYSA-N 2 2 336.440 0.812 20 5 ECBDLP Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000602790496 439134075 /nfs/dbraw/zinc/13/40/75/439134075.db2.gz JVNGXLTTXQGSPE-HNNXBMFYSA-N 2 2 336.440 0.812 20 5 ECBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000592472052 439236786 /nfs/dbraw/zinc/23/67/86/439236786.db2.gz GCTSAOLCRZMGEN-UHFFFAOYSA-N 2 2 335.408 0.679 20 5 ECBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000592472052 439236789 /nfs/dbraw/zinc/23/67/89/439236789.db2.gz GCTSAOLCRZMGEN-UHFFFAOYSA-N 2 2 335.408 0.679 20 5 ECBDLP C[N@H+](CCOCC[NH3+])CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000600739271 439696885 /nfs/dbraw/zinc/69/68/85/439696885.db2.gz AWFRWONETZRUMA-UHFFFAOYSA-N 2 2 331.394 0.276 20 5 ECBDLP C[N@@H+](CCOCC[NH3+])CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000600739271 439696889 /nfs/dbraw/zinc/69/68/89/439696889.db2.gz AWFRWONETZRUMA-UHFFFAOYSA-N 2 2 331.394 0.276 20 5 ECBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)CCOCC[NH3+] ZINC000600732540 439697051 /nfs/dbraw/zinc/69/70/51/439697051.db2.gz CONKMUOVGARLDP-UHFFFAOYSA-N 2 2 326.353 0.449 20 5 ECBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)CCOCC[NH3+] ZINC000600732540 439697054 /nfs/dbraw/zinc/69/70/54/439697054.db2.gz CONKMUOVGARLDP-UHFFFAOYSA-N 2 2 326.353 0.449 20 5 ECBDLP O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000595865134 438872331 /nfs/dbraw/zinc/87/23/31/438872331.db2.gz ZQWBMDCPDHKXND-HNNXBMFYSA-N 2 2 336.392 0.288 20 5 ECBDLP O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000595865134 438872332 /nfs/dbraw/zinc/87/23/32/438872332.db2.gz ZQWBMDCPDHKXND-HNNXBMFYSA-N 2 2 336.392 0.288 20 5 ECBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000592471984 439234027 /nfs/dbraw/zinc/23/40/27/439234027.db2.gz BPTJBSQAIGIYIY-UHFFFAOYSA-N 2 2 335.408 0.679 20 5 ECBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000592471984 439234030 /nfs/dbraw/zinc/23/40/30/439234030.db2.gz BPTJBSQAIGIYIY-UHFFFAOYSA-N 2 2 335.408 0.679 20 5 ECBDLP COc1cc(C[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)c([N+](=O)[O-])cc1OC ZINC000600771774 439700376 /nfs/dbraw/zinc/70/03/76/439700376.db2.gz BBEJGSGFKHGTQG-UHFFFAOYSA-N 2 2 349.347 0.856 20 5 ECBDLP COc1ccc(NC(=O)C[N@H+](C)CCOCC[NH3+])c([N+](=O)[O-])c1 ZINC000600735497 439696874 /nfs/dbraw/zinc/69/68/74/439696874.db2.gz UZOXDNSXQBAMKT-UHFFFAOYSA-N 2 2 326.353 0.449 20 5 ECBDLP COc1ccc(NC(=O)C[N@@H+](C)CCOCC[NH3+])c([N+](=O)[O-])c1 ZINC000600735497 439696877 /nfs/dbraw/zinc/69/68/77/439696877.db2.gz UZOXDNSXQBAMKT-UHFFFAOYSA-N 2 2 326.353 0.449 20 5 ECBDLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000879355280 590581249 /nfs/dbraw/zinc/58/12/49/590581249.db2.gz BJGHQXGKJXEQAU-OAHLLOKOSA-N 2 2 336.392 0.334 20 5 ECBDLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000879355280 590581251 /nfs/dbraw/zinc/58/12/51/590581251.db2.gz BJGHQXGKJXEQAU-OAHLLOKOSA-N 2 2 336.392 0.334 20 5 ECBDLP CN1CC[NH2+]C[C@H]1CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000420283027 209348225 /nfs/dbraw/zinc/34/82/25/209348225.db2.gz XCISZTSEGISFIW-HNNXBMFYSA-N 2 2 349.435 0.743 20 5 ECBDLP CCO[C@@H]1C[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1C[NH3+] ZINC000593736584 439458089 /nfs/dbraw/zinc/45/80/89/439458089.db2.gz BTGZMWIFYXBKDK-DAXOMENPSA-N 2 2 348.403 0.996 20 5 ECBDLP CCO[C@@H]1C[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1C[NH3+] ZINC000593736584 439458092 /nfs/dbraw/zinc/45/80/92/439458092.db2.gz BTGZMWIFYXBKDK-DAXOMENPSA-N 2 2 348.403 0.996 20 5 ECBDLP Cn1cnc([N+](=O)[O-])c1C[NH2+]C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000997413893 743580937 /nfs/dbraw/zinc/58/09/37/743580937.db2.gz UMIZPESUEXNMQN-UHFFFAOYSA-N 2 2 347.379 0.306 20 5 ECBDLP C[NH+](C)C[C@](C)(O)CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000178712008 232399672 /nfs/dbraw/zinc/39/96/72/232399672.db2.gz ABURAVQTGAIATR-MRXNPFEDSA-N 2 2 347.375 0.823 20 5 ECBDLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3c[nH]nc3[N+](=O)[O-])CC2)CC1 ZINC000549189315 302337324 /nfs/dbraw/zinc/33/73/24/302337324.db2.gz DPROJSBGEUCURY-UHFFFAOYSA-N 2 2 336.396 0.606 20 5 ECBDLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000162632337 436911095 /nfs/dbraw/zinc/91/10/95/436911095.db2.gz DAEFKPBRVPVMDU-CYBMUJFWSA-N 2 2 336.396 0.030 20 5 ECBDLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000162632337 436911099 /nfs/dbraw/zinc/91/10/99/436911099.db2.gz DAEFKPBRVPVMDU-CYBMUJFWSA-N 2 2 336.396 0.030 20 5 ECBDLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000358034618 438128195 /nfs/dbraw/zinc/12/81/95/438128195.db2.gz HIKPOPMGOVRQGY-SMDDNHRTSA-N 2 2 342.421 0.413 20 5 ECBDLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000358034618 438128192 /nfs/dbraw/zinc/12/81/92/438128192.db2.gz HIKPOPMGOVRQGY-SMDDNHRTSA-N 2 2 342.421 0.413 20 5 ECBDLP O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000431172286 438148654 /nfs/dbraw/zinc/14/86/54/438148654.db2.gz WOCORRRPDAMKRU-ZFWWWQNUSA-N 2 2 333.348 0.701 20 5 ECBDLP O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000431172286 438148657 /nfs/dbraw/zinc/14/86/57/438148657.db2.gz WOCORRRPDAMKRU-ZFWWWQNUSA-N 2 2 333.348 0.701 20 5 ECBDLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000358229855 438187334 /nfs/dbraw/zinc/18/73/34/438187334.db2.gz XQUVLAKLFRMDMB-SMDDNHRTSA-N 2 2 342.421 0.413 20 5 ECBDLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000358229855 438187336 /nfs/dbraw/zinc/18/73/36/438187336.db2.gz XQUVLAKLFRMDMB-SMDDNHRTSA-N 2 2 342.421 0.413 20 5 ECBDLP CC[NH+]1CCC([N@@H+]2CCCN(c3ncc([N+](=O)[O-])c(N)n3)CC2)CC1 ZINC000420625562 438414371 /nfs/dbraw/zinc/41/43/71/438414371.db2.gz KQRXJIWTRKQPEB-UHFFFAOYSA-N 2 2 349.439 0.963 20 5 ECBDLP CC[NH+]1CCC([N@H+]2CCCN(c3ncc([N+](=O)[O-])c(N)n3)CC2)CC1 ZINC000420625562 438414376 /nfs/dbraw/zinc/41/43/76/438414376.db2.gz KQRXJIWTRKQPEB-UHFFFAOYSA-N 2 2 349.439 0.963 20 5 ECBDLP COc1cc(C[N@H+](C)C[C@H](O)C[NH3+])c([N+](=O)[O-])cc1OC(F)F ZINC000415068010 438728382 /nfs/dbraw/zinc/72/83/82/438728382.db2.gz LXXBWCUHFZFVEW-SECBINFHSA-N 2 2 335.307 0.956 20 5 ECBDLP COc1cc(C[N@@H+](C)C[C@H](O)C[NH3+])c([N+](=O)[O-])cc1OC(F)F ZINC000415068010 438728386 /nfs/dbraw/zinc/72/83/86/438728386.db2.gz LXXBWCUHFZFVEW-SECBINFHSA-N 2 2 335.307 0.956 20 5 ECBDLP O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCOC2(C[NH2+]C2)C1 ZINC000596097209 438925822 /nfs/dbraw/zinc/92/58/22/438925822.db2.gz GEMVRIRUAZSBSN-UHFFFAOYSA-N 2 2 343.343 0.595 20 5 ECBDLP CCc1n[nH]c(C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1[N+](=O)[O-] ZINC000597989638 439206917 /nfs/dbraw/zinc/20/69/17/439206917.db2.gz HGPFGBNXQPJSRV-UHFFFAOYSA-N 2 2 326.401 0.494 20 5 ECBDLP CCc1n[nH]c(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1[N+](=O)[O-] ZINC000597989638 439206923 /nfs/dbraw/zinc/20/69/23/439206923.db2.gz HGPFGBNXQPJSRV-UHFFFAOYSA-N 2 2 326.401 0.494 20 5 ECBDLP Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001020930363 752353648 /nfs/dbraw/zinc/35/36/48/752353648.db2.gz PSUFHARWUXNAKE-XYPYZODXSA-N 2 2 347.379 0.041 20 5 ECBDLP C[N@H+](CCCO)C1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000090549510 436433046 /nfs/dbraw/zinc/43/30/46/436433046.db2.gz LZYBEASBMNAPKG-UHFFFAOYSA-N 2 2 338.408 0.535 20 5 ECBDLP C[N@@H+](CCCO)C1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000090549510 436433048 /nfs/dbraw/zinc/43/30/48/436433048.db2.gz LZYBEASBMNAPKG-UHFFFAOYSA-N 2 2 338.408 0.535 20 5 ECBDLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000121331613 436713820 /nfs/dbraw/zinc/71/38/20/436713820.db2.gz LAEMXKBSPGDDIL-CYBMUJFWSA-N 2 2 348.407 0.250 20 5 ECBDLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000121331613 436713822 /nfs/dbraw/zinc/71/38/22/436713822.db2.gz LAEMXKBSPGDDIL-CYBMUJFWSA-N 2 2 348.407 0.250 20 5 ECBDLP COc1cc(C[N@H+](C)C[C@H](O)C[NH3+])c([N+](=O)[O-])cc1OCC(F)F ZINC000415065998 438729163 /nfs/dbraw/zinc/72/91/63/438729163.db2.gz IGWGLXSKVATAJN-SNVBAGLBSA-N 2 2 349.334 0.999 20 5 ECBDLP COc1cc(C[N@@H+](C)C[C@H](O)C[NH3+])c([N+](=O)[O-])cc1OCC(F)F ZINC000415065998 438729171 /nfs/dbraw/zinc/72/91/71/438729171.db2.gz IGWGLXSKVATAJN-SNVBAGLBSA-N 2 2 349.334 0.999 20 5 ECBDLP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422979029 283576023 /nfs/dbraw/zinc/57/60/23/283576023.db2.gz IQVRATVKBOGKJD-MNOVXSKESA-N 2 2 328.394 0.343 20 5 ECBDLP C[C@@](C[NH3+])([NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1CC1 ZINC000430600776 210385975 /nfs/dbraw/zinc/38/59/75/210385975.db2.gz YNBKMALJRLLIPZ-HNNXBMFYSA-N 2 2 336.348 0.979 20 5 ECBDLP C[C@](C[NH3+])([NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1CC1 ZINC000430600778 210385849 /nfs/dbraw/zinc/38/58/49/210385849.db2.gz YNBKMALJRLLIPZ-OAHLLOKOSA-N 2 2 336.348 0.979 20 5 ECBDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)C2)CC1 ZINC000373098409 438130237 /nfs/dbraw/zinc/13/02/37/438130237.db2.gz JFHASZZSLWVSTO-LBPRGKRZSA-N 2 2 349.391 0.594 20 5 ECBDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)C2)CC1 ZINC000373098409 438130240 /nfs/dbraw/zinc/13/02/40/438130240.db2.gz JFHASZZSLWVSTO-LBPRGKRZSA-N 2 2 349.391 0.594 20 5 ECBDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000598765749 439314091 /nfs/dbraw/zinc/31/40/91/439314091.db2.gz GLVGPOWRTHQTTM-UHFFFAOYSA-N 2 2 325.369 0.309 20 5 ECBDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000598765749 439314094 /nfs/dbraw/zinc/31/40/94/439314094.db2.gz GLVGPOWRTHQTTM-UHFFFAOYSA-N 2 2 325.369 0.309 20 5 ECBDLP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC[N@@H+]1CC[C@@H](O)C1 ZINC000599085260 439354181 /nfs/dbraw/zinc/35/41/81/439354181.db2.gz OBFHOAJNLVSYFW-IUODEOHRSA-N 2 2 336.392 0.968 20 5 ECBDLP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC[N@H+]1CC[C@@H](O)C1 ZINC000599085260 439354185 /nfs/dbraw/zinc/35/41/85/439354185.db2.gz OBFHOAJNLVSYFW-IUODEOHRSA-N 2 2 336.392 0.968 20 5 ECBDLP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000261719894 165230529 /nfs/dbraw/zinc/23/05/29/165230529.db2.gz QNIGVNLSQYRNIQ-GFCCVEGCSA-N 2 2 349.391 0.320 20 5 ECBDLP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000261719894 165230535 /nfs/dbraw/zinc/23/05/35/165230535.db2.gz QNIGVNLSQYRNIQ-GFCCVEGCSA-N 2 2 349.391 0.320 20 5 ECBDLP O=C1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CN1CC[NH+]1CCOCC1 ZINC000178907828 437238018 /nfs/dbraw/zinc/23/80/18/437238018.db2.gz ZHRPPLJNAAXOAU-OAHLLOKOSA-N 2 2 348.403 0.618 20 5 ECBDLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000573597862 439654386 /nfs/dbraw/zinc/65/43/86/439654386.db2.gz WZRBOQNXLRDDRC-GJZGRUSLSA-N 2 2 338.408 0.170 20 5 ECBDLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000573597862 439654389 /nfs/dbraw/zinc/65/43/89/439654389.db2.gz WZRBOQNXLRDDRC-GJZGRUSLSA-N 2 2 338.408 0.170 20 5 ECBDLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000879355279 590581446 /nfs/dbraw/zinc/58/14/46/590581446.db2.gz BJGHQXGKJXEQAU-HNNXBMFYSA-N 2 2 336.392 0.334 20 5 ECBDLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000879355279 590581448 /nfs/dbraw/zinc/58/14/48/590581448.db2.gz BJGHQXGKJXEQAU-HNNXBMFYSA-N 2 2 336.392 0.334 20 5 ECBDLP C[NH+](C)C1CC[NH+](CCNc2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000267238416 437308217 /nfs/dbraw/zinc/30/82/17/437308217.db2.gz XIJWDKGLANSQEL-UHFFFAOYSA-N 2 2 336.396 0.527 20 5 ECBDLP O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000365682877 437950672 /nfs/dbraw/zinc/95/06/72/437950672.db2.gz WOCORRRPDAMKRU-UKRRQHHQSA-N 2 2 333.348 0.701 20 5 ECBDLP C[C@@H]([NH3+])[C@H]1CC[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000351864216 438352339 /nfs/dbraw/zinc/35/23/39/438352339.db2.gz WTJCOYFMNHOSGO-ZJUUUORDSA-N 2 2 336.348 0.931 20 5 ECBDLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000351864216 438352340 /nfs/dbraw/zinc/35/23/40/438352340.db2.gz WTJCOYFMNHOSGO-ZJUUUORDSA-N 2 2 336.348 0.931 20 5 ECBDLP C[C@@H]1C[N@H+](Cc2cn(C)nc2[N+](=O)[O-])CC[C@@H]1N1CC[NH+](C)CC1 ZINC000602485778 439098285 /nfs/dbraw/zinc/09/82/85/439098285.db2.gz ZKVKOHCKOBIWBB-HIFRSBDPSA-N 2 2 336.440 0.786 20 5 ECBDLP C[C@@H]1C[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])CC[C@@H]1N1CC[NH+](C)CC1 ZINC000602485778 439098292 /nfs/dbraw/zinc/09/82/92/439098292.db2.gz ZKVKOHCKOBIWBB-HIFRSBDPSA-N 2 2 336.440 0.786 20 5 ECBDLP C[C@@H]1C[NH+](CCC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H](C)O1 ZINC000583603190 439487462 /nfs/dbraw/zinc/48/74/62/439487462.db2.gz KHLDJMUSZHPRIF-UMVBOHGHSA-N 2 2 341.412 0.241 20 5 ECBDLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000593905991 439492395 /nfs/dbraw/zinc/49/23/95/439492395.db2.gz QVPGUXJKEXVHAU-WCQYABFASA-N 2 2 336.396 0.282 20 5 ECBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000594736731 439599886 /nfs/dbraw/zinc/59/98/86/439599886.db2.gz QWAQQDNGCPNKRR-UONOGXRCSA-N 2 2 334.376 0.737 20 5 ECBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000594736731 439599889 /nfs/dbraw/zinc/59/98/89/439599889.db2.gz QWAQQDNGCPNKRR-UONOGXRCSA-N 2 2 334.376 0.737 20 5 ECBDLP CN(C(=O)c1cc([N+](=O)[O-])n[nH]1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000586779742 439661594 /nfs/dbraw/zinc/66/15/94/439661594.db2.gz PZJUEHYOTLBNRH-LBPRGKRZSA-N 2 2 336.396 0.558 20 5 ECBDLP CN(C(=O)c1cc([N+](=O)[O-])n[nH]1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000586779742 439661595 /nfs/dbraw/zinc/66/15/95/439661595.db2.gz PZJUEHYOTLBNRH-LBPRGKRZSA-N 2 2 336.396 0.558 20 5 ECBDLP C[NH+]1CCC([N@@H+]2CC[C@@H](Nc3ncc([N+](=O)[O-])cc3C(N)=O)C2)CC1 ZINC000363031731 300242272 /nfs/dbraw/zinc/24/22/72/300242272.db2.gz PZWODCFYXGLGTM-LLVKDONJSA-N 2 2 348.407 0.669 20 5 ECBDLP C[NH+]1CCC([N@H+]2CC[C@@H](Nc3ncc([N+](=O)[O-])cc3C(N)=O)C2)CC1 ZINC000363031731 300242273 /nfs/dbraw/zinc/24/22/73/300242273.db2.gz PZWODCFYXGLGTM-LLVKDONJSA-N 2 2 348.407 0.669 20 5 ECBDLP C[N@@H+]1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1 ZINC000162534150 436909000 /nfs/dbraw/zinc/90/90/00/436909000.db2.gz JEBZYRDJAWEXOP-HNNXBMFYSA-N 2 2 335.408 0.888 20 5 ECBDLP C[N@H+]1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1 ZINC000162534150 436909004 /nfs/dbraw/zinc/90/90/04/436909004.db2.gz JEBZYRDJAWEXOP-HNNXBMFYSA-N 2 2 335.408 0.888 20 5 ECBDLP O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000431172285 438148024 /nfs/dbraw/zinc/14/80/24/438148024.db2.gz WOCORRRPDAMKRU-HIFRSBDPSA-N 2 2 333.348 0.701 20 5 ECBDLP O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000431172285 438148027 /nfs/dbraw/zinc/14/80/27/438148027.db2.gz WOCORRRPDAMKRU-HIFRSBDPSA-N 2 2 333.348 0.701 20 5 ECBDLP COc1cc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c([N+](=O)[O-])cc1OC ZINC000358164960 438172963 /nfs/dbraw/zinc/17/29/63/438172963.db2.gz NTRSQMUZVPIWMO-HNNXBMFYSA-N 2 2 325.365 0.768 20 5 ECBDLP COc1cc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c([N+](=O)[O-])cc1OC ZINC000358164960 438172967 /nfs/dbraw/zinc/17/29/67/438172967.db2.gz NTRSQMUZVPIWMO-HNNXBMFYSA-N 2 2 325.365 0.768 20 5 ECBDLP C[N@@H+]1CCN(C2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)C(=O)C1 ZINC000378599079 438407678 /nfs/dbraw/zinc/40/76/78/438407678.db2.gz UEZLJOVWXZEDLQ-UHFFFAOYSA-N 2 2 336.396 0.030 20 5 ECBDLP C[N@H+]1CCN(C2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)C(=O)C1 ZINC000378599079 438407682 /nfs/dbraw/zinc/40/76/82/438407682.db2.gz UEZLJOVWXZEDLQ-UHFFFAOYSA-N 2 2 336.396 0.030 20 5 ECBDLP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420968781 438454797 /nfs/dbraw/zinc/45/47/97/438454797.db2.gz AEVSYEQNBRJAKT-UHFFFAOYSA-N 2 2 344.437 0.757 20 5 ECBDLP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420968781 438454801 /nfs/dbraw/zinc/45/48/01/438454801.db2.gz AEVSYEQNBRJAKT-UHFFFAOYSA-N 2 2 344.437 0.757 20 5 ECBDLP C[NH+](C)C[C@@H](CO)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000588866691 438846197 /nfs/dbraw/zinc/84/61/97/438846197.db2.gz PWLFEVKGPGMPES-LBPRGKRZSA-N 2 2 333.348 0.433 20 5 ECBDLP O=C(C[NH2+]C1(CO)CC[NH2+]CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000595897298 438880743 /nfs/dbraw/zinc/88/07/43/438880743.db2.gz SWGPLHRCPRUYKR-UHFFFAOYSA-N 2 2 342.783 0.891 20 5 ECBDLP C[C@@H]([NH3+])[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCO1 ZINC000592307402 439197801 /nfs/dbraw/zinc/19/78/01/439197801.db2.gz HVIRRZJVJLKMDL-ABAIWWIYSA-N 2 2 345.359 0.969 20 5 ECBDLP CCn1cc([N+](=O)[O-])c(C(=O)NCC[N@H+](C)CCC[NH+](C)C)n1 ZINC000597990147 439206552 /nfs/dbraw/zinc/20/65/52/439206552.db2.gz OMRJVCALUKXGAP-UHFFFAOYSA-N 2 2 326.401 0.425 20 5 ECBDLP CCn1cc([N+](=O)[O-])c(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)n1 ZINC000597990147 439206556 /nfs/dbraw/zinc/20/65/56/439206556.db2.gz OMRJVCALUKXGAP-UHFFFAOYSA-N 2 2 326.401 0.425 20 5 ECBDLP C[NH+]1CCN(C[C@H](O)C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000569475886 439338449 /nfs/dbraw/zinc/33/84/49/439338449.db2.gz NUAUMWDLCURQTD-CYBMUJFWSA-N 2 2 348.407 0.169 20 5 ECBDLP CC[NH+](CC)CC(=O)N1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174846791 528084937 /nfs/dbraw/zinc/08/49/37/528084937.db2.gz GACHBSYENGWZSW-UHFFFAOYSA-N 2 2 338.412 0.277 20 5 ECBDLP C[NH+]1CCN(c2nc(N3CC[NH+](C)CC3)c([N+](=O)[O-])s2)CC1 ZINC000078601733 436273596 /nfs/dbraw/zinc/27/35/96/436273596.db2.gz HQFGIUUAWLUUEE-UHFFFAOYSA-N 2 2 326.426 0.555 20 5 ECBDLP C[NH+]1CCC([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000177261839 437176464 /nfs/dbraw/zinc/17/64/64/437176464.db2.gz VQHRNZDVSDSLBE-UHFFFAOYSA-N 2 2 342.421 0.557 20 5 ECBDLP O=C1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CN1CC[NH+]1CCOCC1 ZINC000178903052 437237577 /nfs/dbraw/zinc/23/75/77/437237577.db2.gz MLXWDFOJWKVHQN-OAHLLOKOSA-N 2 2 348.403 0.618 20 5 ECBDLP CN1CC[NH2+]C[C@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000591684185 439060106 /nfs/dbraw/zinc/06/01/06/439060106.db2.gz GGVNFBRUCNVZFK-ZDUSSCGKSA-N 2 2 344.375 0.414 20 5 ECBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000591727535 439078121 /nfs/dbraw/zinc/07/81/21/439078121.db2.gz HGBQWTZOTCSRTE-HNNXBMFYSA-N 2 2 338.408 0.301 20 5 ECBDLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CCC2 ZINC000591757161 439082128 /nfs/dbraw/zinc/08/21/28/439082128.db2.gz MONQHSVGGUORPC-OCCSQVGLSA-N 2 2 334.380 0.824 20 5 ECBDLP C[NH+]1CCC2(CC1)C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CCO2 ZINC000592184740 439174486 /nfs/dbraw/zinc/17/44/86/439174486.db2.gz OLYNLZGJNPKMEW-UHFFFAOYSA-N 2 2 348.403 0.990 20 5 ECBDLP C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CCO2 ZINC000592184740 439174489 /nfs/dbraw/zinc/17/44/89/439174489.db2.gz OLYNLZGJNPKMEW-UHFFFAOYSA-N 2 2 348.403 0.990 20 5 ECBDLP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC[N@@H+]1CC[C@@H](O)C1 ZINC000599085261 439353365 /nfs/dbraw/zinc/35/33/65/439353365.db2.gz OBFHOAJNLVSYFW-SWLSCSKDSA-N 2 2 336.392 0.968 20 5 ECBDLP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC[N@H+]1CC[C@@H](O)C1 ZINC000599085261 439353369 /nfs/dbraw/zinc/35/33/69/439353369.db2.gz OBFHOAJNLVSYFW-SWLSCSKDSA-N 2 2 336.392 0.968 20 5 ECBDLP COc1cc(OCC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000572760142 439608394 /nfs/dbraw/zinc/60/83/94/439608394.db2.gz IMUSURZIMLPKNB-LLVKDONJSA-N 2 2 338.364 0.084 20 5 ECBDLP COc1cc(OCC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000572760142 439608396 /nfs/dbraw/zinc/60/83/96/439608396.db2.gz IMUSURZIMLPKNB-LLVKDONJSA-N 2 2 338.364 0.084 20 5 ECBDLP C[N@H+](CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CC([NH3+])C1 ZINC000843387764 589065659 /nfs/dbraw/zinc/06/56/59/589065659.db2.gz NVCSIHPDCQXZJI-UHFFFAOYSA-N 2 2 347.419 0.665 20 5 ECBDLP C[N@@H+](CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CC([NH3+])C1 ZINC000843387764 589065661 /nfs/dbraw/zinc/06/56/61/589065661.db2.gz NVCSIHPDCQXZJI-UHFFFAOYSA-N 2 2 347.419 0.665 20 5 ECBDLP C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)CCN1C1CC[NH+](C)CC1 ZINC000332159506 297010088 /nfs/dbraw/zinc/01/00/88/297010088.db2.gz QJUCLCBDNRQDEG-CQSZACIVSA-N 2 2 336.440 0.892 20 5 ECBDLP C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CCN1C1CC[NH+](C)CC1 ZINC000332159506 297010091 /nfs/dbraw/zinc/01/00/91/297010091.db2.gz QJUCLCBDNRQDEG-CQSZACIVSA-N 2 2 336.440 0.892 20 5 ECBDLP C[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000332159506 297010093 /nfs/dbraw/zinc/01/00/93/297010093.db2.gz QJUCLCBDNRQDEG-CQSZACIVSA-N 2 2 336.440 0.892 20 5 ECBDLP C[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000332159506 297010095 /nfs/dbraw/zinc/01/00/95/297010095.db2.gz QJUCLCBDNRQDEG-CQSZACIVSA-N 2 2 336.440 0.892 20 5 ECBDLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000162486204 436906745 /nfs/dbraw/zinc/90/67/45/436906745.db2.gz WPDMJGPWBSYOLG-CQSZACIVSA-N 2 2 336.396 0.030 20 5 ECBDLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000162486204 436906749 /nfs/dbraw/zinc/90/67/49/436906749.db2.gz WPDMJGPWBSYOLG-CQSZACIVSA-N 2 2 336.396 0.030 20 5 ECBDLP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176236183 437136425 /nfs/dbraw/zinc/13/64/25/437136425.db2.gz ZJASJFJUIGEFGB-HNNXBMFYSA-N 2 2 336.440 0.893 20 5 ECBDLP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176236183 437136427 /nfs/dbraw/zinc/13/64/27/437136427.db2.gz ZJASJFJUIGEFGB-HNNXBMFYSA-N 2 2 336.440 0.893 20 5 ECBDLP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422979028 438623238 /nfs/dbraw/zinc/62/32/38/438623238.db2.gz IQVRATVKBOGKJD-GHMZBOCLSA-N 2 2 328.394 0.343 20 5 ECBDLP C[C@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]1 ZINC000422984471 438624785 /nfs/dbraw/zinc/62/47/85/438624785.db2.gz XWIOLUVIZBGZJE-NWDGAFQWSA-N 2 2 342.421 0.603 20 5 ECBDLP C[NH+](C)CCC[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CCO1 ZINC000595905341 438885748 /nfs/dbraw/zinc/88/57/48/438885748.db2.gz BZGXOPGEKKDRKE-OAHLLOKOSA-N 2 2 338.408 0.799 20 5 ECBDLP C[NH+](C)CCC[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)CCO1 ZINC000595905341 438885753 /nfs/dbraw/zinc/88/57/53/438885753.db2.gz BZGXOPGEKKDRKE-OAHLLOKOSA-N 2 2 338.408 0.799 20 5 ECBDLP COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000583133215 439423237 /nfs/dbraw/zinc/42/32/37/439423237.db2.gz ZYKOUPUTCUWQEZ-CYBMUJFWSA-N 2 2 337.380 0.388 20 5 ECBDLP COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000583133215 439423241 /nfs/dbraw/zinc/42/32/41/439423241.db2.gz ZYKOUPUTCUWQEZ-CYBMUJFWSA-N 2 2 337.380 0.388 20 5 ECBDLP Cn1cc[nH+]c1[C@@H](NC[C@H](O)C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000353499837 321395569 /nfs/dbraw/zinc/39/55/69/321395569.db2.gz DOGLEGLURRNEPB-GJZGRUSLSA-N 2 2 333.392 0.930 20 5 ECBDLP Cn1cc[nH+]c1[C@H](NC[C@H](O)C[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000353504161 321396051 /nfs/dbraw/zinc/39/60/51/321396051.db2.gz QKEYAMKXGJGLLJ-LSDHHAIUSA-N 2 2 333.392 0.930 20 5 ECBDLP CN(C(=O)c1c[nH]nc1[N+](=O)[O-])[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000619789007 546369263 /nfs/dbraw/zinc/36/92/63/546369263.db2.gz POTGZTSHTLUWSA-GFCCVEGCSA-N 2 2 336.396 0.558 20 5 ECBDLP CN(C(=O)c1c[nH]nc1[N+](=O)[O-])[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000619789007 546369268 /nfs/dbraw/zinc/36/92/68/546369268.db2.gz POTGZTSHTLUWSA-GFCCVEGCSA-N 2 2 336.396 0.558 20 5 ECBDLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923332850 611230196 /nfs/dbraw/zinc/23/01/96/611230196.db2.gz MYZPBJJRMRMBLJ-CVEARBPZSA-N 2 2 348.403 0.524 20 5 ECBDLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923332850 611230198 /nfs/dbraw/zinc/23/01/98/611230198.db2.gz MYZPBJJRMRMBLJ-CVEARBPZSA-N 2 2 348.403 0.524 20 5 ECBDLP Cn1cnc([N+](=O)[O-])c1C[NH2+]C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000997126168 743265098 /nfs/dbraw/zinc/26/50/98/743265098.db2.gz NUVCDRUIPOKBPC-UHFFFAOYSA-N 2 2 347.379 0.375 20 5 ECBDLP O=C(NCCN1CC[NH2+]CC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000238088074 296725654 /nfs/dbraw/zinc/72/56/54/296725654.db2.gz IRKCHECTUVMCNV-UHFFFAOYSA-N 2 2 344.375 0.416 20 5 ECBDLP Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000374872745 301130714 /nfs/dbraw/zinc/13/07/14/301130714.db2.gz FHJONCPONDTXDQ-AWEZNQCLSA-N 2 2 336.440 0.930 20 5 ECBDLP Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000374872745 301130715 /nfs/dbraw/zinc/13/07/15/301130715.db2.gz FHJONCPONDTXDQ-AWEZNQCLSA-N 2 2 336.440 0.930 20 5 ECBDLP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000174716664 437085987 /nfs/dbraw/zinc/08/59/87/437085987.db2.gz UGJVCCQMQJKSOE-UHFFFAOYSA-N 2 2 349.435 0.763 20 5 ECBDLP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000174716664 437085990 /nfs/dbraw/zinc/08/59/90/437085990.db2.gz UGJVCCQMQJKSOE-UHFFFAOYSA-N 2 2 349.435 0.763 20 5 ECBDLP C[NH+]1CCC([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000177262130 437175884 /nfs/dbraw/zinc/17/58/84/437175884.db2.gz PVYXKXDBEJGMDG-UHFFFAOYSA-N 2 2 342.421 0.557 20 5 ECBDLP C[NH+]1CCC([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000177347348 437179953 /nfs/dbraw/zinc/17/99/53/437179953.db2.gz ONXARZNSIXCQAN-UHFFFAOYSA-N 2 2 342.421 0.557 20 5 ECBDLP C[NH+]1CCC([NH+]2CCC(CCNC(=O)[C@H]3C[C@@H]3[N+](=O)[O-])CC2)CC1 ZINC000371084435 437883606 /nfs/dbraw/zinc/88/36/06/437883606.db2.gz GZOZQXGGFNWQNE-HOTGVXAUSA-N 2 2 338.452 0.964 20 5 ECBDLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000352707077 438462570 /nfs/dbraw/zinc/46/25/70/438462570.db2.gz PWJANFSTQXWYFX-UHFFFAOYSA-N 2 2 348.403 0.953 20 5 ECBDLP C[NH+]1CCN(C(=O)CC[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000352707077 438462573 /nfs/dbraw/zinc/46/25/73/438462573.db2.gz PWJANFSTQXWYFX-UHFFFAOYSA-N 2 2 348.403 0.953 20 5 ECBDLP C[C@@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CCC[NH2+]1 ZINC000422936407 438619052 /nfs/dbraw/zinc/61/90/52/438619052.db2.gz MIXCPOSLIYYOKE-BXUZGUMPSA-N 2 2 342.421 0.603 20 5 ECBDLP C[NH+](C)C[C@H](CO)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000588866689 438846252 /nfs/dbraw/zinc/84/62/52/438846252.db2.gz PWLFEVKGPGMPES-GFCCVEGCSA-N 2 2 333.348 0.433 20 5 ECBDLP C[N@@H+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@H](C[NH3+])C1 ZINC000579474679 439011003 /nfs/dbraw/zinc/01/10/03/439011003.db2.gz IRSYZVNHSRBWQJ-GFCCVEGCSA-N 2 2 326.784 0.892 20 5 ECBDLP C[N@H+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@H](C[NH3+])C1 ZINC000579474679 439011008 /nfs/dbraw/zinc/01/10/08/439011008.db2.gz IRSYZVNHSRBWQJ-GFCCVEGCSA-N 2 2 326.784 0.892 20 5 ECBDLP C[C@@H]1C[NH2+]C[C@@H]([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000592439018 439230516 /nfs/dbraw/zinc/23/05/16/439230516.db2.gz XRYJJLVQWCWSGU-RYUDHWBXSA-N 2 2 342.421 0.461 20 5 ECBDLP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC[N@@H+]1CC[C@@H](O)C1 ZINC000599085130 439354230 /nfs/dbraw/zinc/35/42/30/439354230.db2.gz NEVZCRZJQPBSPU-IUODEOHRSA-N 2 2 336.392 0.968 20 5 ECBDLP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC[N@H+]1CC[C@@H](O)C1 ZINC000599085130 439354234 /nfs/dbraw/zinc/35/42/34/439354234.db2.gz NEVZCRZJQPBSPU-IUODEOHRSA-N 2 2 336.392 0.968 20 5 ECBDLP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC[N@@H+]1CC[C@H](O)C1 ZINC000599093265 439356058 /nfs/dbraw/zinc/35/60/58/439356058.db2.gz OBFHOAJNLVSYFW-DOMZBBRYSA-N 2 2 336.392 0.968 20 5 ECBDLP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC[N@H+]1CC[C@H](O)C1 ZINC000599093265 439356061 /nfs/dbraw/zinc/35/60/61/439356061.db2.gz OBFHOAJNLVSYFW-DOMZBBRYSA-N 2 2 336.392 0.968 20 5 ECBDLP C[N@H+](CCOCC[NH3+])CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000600732524 439697986 /nfs/dbraw/zinc/69/79/86/439697986.db2.gz CMTRFBKQIRVBKK-UHFFFAOYSA-N 2 2 340.336 0.169 20 5 ECBDLP C[N@@H+](CCOCC[NH3+])CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000600732524 439697989 /nfs/dbraw/zinc/69/79/89/439697989.db2.gz CMTRFBKQIRVBKK-UHFFFAOYSA-N 2 2 340.336 0.169 20 5 ECBDLP Cn1cc[nH+]c1[C@@H](NC[C@@H](O)C[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000353504158 321395960 /nfs/dbraw/zinc/39/59/60/321395960.db2.gz QKEYAMKXGJGLLJ-CABCVRRESA-N 2 2 333.392 0.930 20 5 ECBDLP O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2cccnc2-n2cc[nH+]c2)c1 ZINC000818947947 587461653 /nfs/dbraw/zinc/46/16/53/587461653.db2.gz VEPKZQUZGBHNFT-CQSZACIVSA-N 2 2 343.347 0.523 20 5 ECBDLP NC(=O)c1ccc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)c([N+](=O)[O-])c1 ZINC000261626405 165217866 /nfs/dbraw/zinc/21/78/66/165217866.db2.gz GUYOGXUNHUVMBW-AWEZNQCLSA-N 2 2 333.392 0.173 20 5 ECBDLP CN(C(=O)c1n[nH]cc1[N+](=O)[O-])[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000362115300 300164032 /nfs/dbraw/zinc/16/40/32/300164032.db2.gz CDIOCSMFCAGZMY-GFCCVEGCSA-N 2 2 336.396 0.558 20 5 ECBDLP CN(C(=O)c1n[nH]cc1[N+](=O)[O-])[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000362115300 300164033 /nfs/dbraw/zinc/16/40/33/300164033.db2.gz CDIOCSMFCAGZMY-GFCCVEGCSA-N 2 2 336.396 0.558 20 5 ECBDLP COCC[NH2+]CCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000237338287 436730790 /nfs/dbraw/zinc/73/07/90/436730790.db2.gz HJQSLNUUFKNILY-UHFFFAOYSA-N 2 2 333.348 0.746 20 5 ECBDLP O=C1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CN1CC[NH+]1CCOCC1 ZINC000178903073 437237883 /nfs/dbraw/zinc/23/78/83/437237883.db2.gz OSTIGUWZXCUROQ-OAHLLOKOSA-N 2 2 348.403 0.618 20 5 ECBDLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000358034616 438127827 /nfs/dbraw/zinc/12/78/27/438127827.db2.gz HIKPOPMGOVRQGY-FZMZJTMJSA-N 2 2 342.421 0.413 20 5 ECBDLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000358034616 438127828 /nfs/dbraw/zinc/12/78/28/438127828.db2.gz HIKPOPMGOVRQGY-FZMZJTMJSA-N 2 2 342.421 0.413 20 5 ECBDLP C[N@H+](CC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000387464998 438423032 /nfs/dbraw/zinc/42/30/32/438423032.db2.gz SITNQVHOROYTSH-INIZCTEOSA-N 2 2 333.392 0.874 20 5 ECBDLP C[N@@H+](CC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000387464998 438423037 /nfs/dbraw/zinc/42/30/37/438423037.db2.gz SITNQVHOROYTSH-INIZCTEOSA-N 2 2 333.392 0.874 20 5 ECBDLP CC(C)(C)[NH2+]CC[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000415073331 438728423 /nfs/dbraw/zinc/72/84/23/438728423.db2.gz AWJIBKVNKXDHHQ-UHFFFAOYSA-N 2 2 344.437 0.851 20 5 ECBDLP O=C(C[NH2+]C1(CO)CC[NH2+]CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595903607 438881473 /nfs/dbraw/zinc/88/14/73/438881473.db2.gz YMXOIOOUUJIQEN-UHFFFAOYSA-N 2 2 342.783 0.891 20 5 ECBDLP COc1ccc(C[N@H+](C)CC(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000611316199 439689610 /nfs/dbraw/zinc/68/96/10/439689610.db2.gz PLSMEIHFLSFLDE-UHFFFAOYSA-N 2 2 336.392 0.809 20 5 ECBDLP COc1ccc(C[N@@H+](C)CC(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000611316199 439689611 /nfs/dbraw/zinc/68/96/11/439689611.db2.gz PLSMEIHFLSFLDE-UHFFFAOYSA-N 2 2 336.392 0.809 20 5 ECBDLP C[C@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]1 ZINC000422949496 279471007 /nfs/dbraw/zinc/47/10/07/279471007.db2.gz VHOGZNZNRGYQLF-SMDDNHRTSA-N 2 2 342.421 0.603 20 5 ECBDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cc([N+](=O)[O-])c[nH]c3=O)C2)CC1 ZINC000369251962 438443465 /nfs/dbraw/zinc/44/34/65/438443465.db2.gz DGAOZSLXZYJSMM-LLVKDONJSA-N 2 2 349.391 0.594 20 5 ECBDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cc([N+](=O)[O-])c[nH]c3=O)C2)CC1 ZINC000369251962 438443468 /nfs/dbraw/zinc/44/34/68/438443468.db2.gz DGAOZSLXZYJSMM-LLVKDONJSA-N 2 2 349.391 0.594 20 5 ECBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000592472082 439235788 /nfs/dbraw/zinc/23/57/88/439235788.db2.gz ISNPWKKVHKZAMN-UHFFFAOYSA-N 2 2 335.408 0.679 20 5 ECBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000592472082 439235792 /nfs/dbraw/zinc/23/57/92/439235792.db2.gz ISNPWKKVHKZAMN-UHFFFAOYSA-N 2 2 335.408 0.679 20 5 ECBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000594736729 439599170 /nfs/dbraw/zinc/59/91/70/439599170.db2.gz QWAQQDNGCPNKRR-KBPBESRZSA-N 2 2 334.376 0.737 20 5 ECBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000594736729 439599175 /nfs/dbraw/zinc/59/91/75/439599175.db2.gz QWAQQDNGCPNKRR-KBPBESRZSA-N 2 2 334.376 0.737 20 5 ECBDLP Cc1nc(NC[C@@H]2CC[N@H+]2C)nc(NC[C@H]2CC[NH+]2C)c1[N+](=O)[O-] ZINC000895769778 586204330 /nfs/dbraw/zinc/20/43/30/586204330.db2.gz IMUFBEPQDNMHOK-NEPJUHHUSA-N 2 2 335.412 0.925 20 5 ECBDLP Cc1nc(NC[C@@H]2CC[N@@H+]2C)nc(NC[C@H]2CC[NH+]2C)c1[N+](=O)[O-] ZINC000895769778 586204334 /nfs/dbraw/zinc/20/43/34/586204334.db2.gz IMUFBEPQDNMHOK-NEPJUHHUSA-N 2 2 335.412 0.925 20 5 ECBDLP Cc1nc(NC[C@@H]2CC[NH+]2C)nc(NC[C@H]2CC[N@@H+]2C)c1[N+](=O)[O-] ZINC000895769778 586204336 /nfs/dbraw/zinc/20/43/36/586204336.db2.gz IMUFBEPQDNMHOK-NEPJUHHUSA-N 2 2 335.412 0.925 20 5 ECBDLP Cc1nc(NC[C@@H]2CC[NH+]2C)nc(NC[C@H]2CC[N@H+]2C)c1[N+](=O)[O-] ZINC000895769778 586204338 /nfs/dbraw/zinc/20/43/38/586204338.db2.gz IMUFBEPQDNMHOK-NEPJUHHUSA-N 2 2 335.412 0.925 20 5 ECBDLP O=[N+]([O-])CC[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000905112402 586871276 /nfs/dbraw/zinc/87/12/76/586871276.db2.gz YXPKGFDRILPAQU-ZDUSSCGKSA-N 2 2 336.396 0.148 20 5 ECBDLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000362827138 300223985 /nfs/dbraw/zinc/22/39/85/300223985.db2.gz SFXUCNCMGZRRKC-HNNXBMFYSA-N 2 2 348.403 0.870 20 5 ECBDLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000362827138 300223988 /nfs/dbraw/zinc/22/39/88/300223988.db2.gz SFXUCNCMGZRRKC-HNNXBMFYSA-N 2 2 348.403 0.870 20 5 ECBDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cc([N+](=O)[O-])c[nH]c3=O)C2)CC1 ZINC000369251963 438442981 /nfs/dbraw/zinc/44/29/81/438442981.db2.gz DGAOZSLXZYJSMM-NSHDSACASA-N 2 2 349.391 0.594 20 5 ECBDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cc([N+](=O)[O-])c[nH]c3=O)C2)CC1 ZINC000369251963 438442985 /nfs/dbraw/zinc/44/29/85/438442985.db2.gz DGAOZSLXZYJSMM-NSHDSACASA-N 2 2 349.391 0.594 20 5 ECBDLP O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCc2cn3ccccc3[nH+]2)c1 ZINC000572148836 439561481 /nfs/dbraw/zinc/56/14/81/439561481.db2.gz DYMHBLZXDBTLJR-AWEZNQCLSA-N 2 2 330.348 0.632 20 5 ECBDLP C[NH+](C)CC(=O)N1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776580371 579284658 /nfs/dbraw/zinc/28/46/58/579284658.db2.gz XKHLPLDFADZGOH-HNNXBMFYSA-N 2 2 336.392 0.334 20 5 ECBDLP C[C@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CCC[NH2+]1 ZINC000422936412 209677513 /nfs/dbraw/zinc/67/75/13/209677513.db2.gz MIXCPOSLIYYOKE-SMDDNHRTSA-N 2 2 342.421 0.603 20 5 ECBDLP C[NH+]1CCN(C(=O)C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000093159067 218199875 /nfs/dbraw/zinc/19/98/75/218199875.db2.gz NJFNFDUEIFEYAJ-UHFFFAOYSA-N 2 2 347.419 0.491 20 5 ECBDLP C[C@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]1 ZINC000422984472 438624280 /nfs/dbraw/zinc/62/42/80/438624280.db2.gz XWIOLUVIZBGZJE-RYUDHWBXSA-N 2 2 342.421 0.603 20 5 ECBDLP C[N@H+](CCOc1ccccc1[N+](=O)[O-])CC(=O)N1CC[NH+](C)CC1 ZINC000602989681 439177205 /nfs/dbraw/zinc/17/72/05/439177205.db2.gz ZCLKCWQZOFCKSC-UHFFFAOYSA-N 2 2 336.392 0.679 20 5 ECBDLP C[N@@H+](CCOc1ccccc1[N+](=O)[O-])CC(=O)N1CC[NH+](C)CC1 ZINC000602989681 439177210 /nfs/dbraw/zinc/17/72/10/439177210.db2.gz ZCLKCWQZOFCKSC-UHFFFAOYSA-N 2 2 336.392 0.679 20 5 ECBDLP Cn1cc[nH+]c1[C@@H](NC[C@@H](O)C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000353499836 321395646 /nfs/dbraw/zinc/39/56/46/321395646.db2.gz DOGLEGLURRNEPB-CABCVRRESA-N 2 2 333.392 0.930 20 5 ECBDLP CN(C)c1[nH+]cc(C[NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)n1C ZINC000840896333 588974776 /nfs/dbraw/zinc/97/47/76/588974776.db2.gz AYKYEJMGYADFGH-HUUCEWRRSA-N 2 2 349.391 0.578 20 5 ECBDLP C[N@H+](CCC[NH3+])CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000843351496 589063033 /nfs/dbraw/zinc/06/30/33/589063033.db2.gz YHQHAJGCDZKCTP-UHFFFAOYSA-N 2 2 335.408 0.524 20 5 ECBDLP C[N@@H+](CCC[NH3+])CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000843351496 589063035 /nfs/dbraw/zinc/06/30/35/589063035.db2.gz YHQHAJGCDZKCTP-UHFFFAOYSA-N 2 2 335.408 0.524 20 5 ECBDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000855418028 589630666 /nfs/dbraw/zinc/63/06/66/589630666.db2.gz TZLHMHRMXDXHHF-HNNXBMFYSA-N 2 2 338.408 0.628 20 5 ECBDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000855418028 589630668 /nfs/dbraw/zinc/63/06/68/589630668.db2.gz TZLHMHRMXDXHHF-HNNXBMFYSA-N 2 2 338.408 0.628 20 5 ECBDLP Cn1cnc([N+](=O)[O-])c1C[NH2+]C[C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000984958372 747168821 /nfs/dbraw/zinc/16/88/21/747168821.db2.gz HMIWNPDQTUGLEC-XYPYZODXSA-N 2 2 347.379 0.279 20 5 ECBDLP C[NH+](C)C[C@@](C)(O)CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000178712024 232398107 /nfs/dbraw/zinc/39/81/07/232398107.db2.gz ABURAVQTGAIATR-INIZCTEOSA-N 2 2 347.375 0.823 20 5 ECBDLP C[C@@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1n1cc[nH+]c1 ZINC000269692044 263197572 /nfs/dbraw/zinc/19/75/72/263197572.db2.gz ILKISNMCIPXVRX-SNPRPXQTSA-N 2 2 334.380 0.932 20 5 ECBDLP C[C@@H]1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1n1cc[nH+]c1 ZINC000269692044 263197574 /nfs/dbraw/zinc/19/75/74/263197574.db2.gz ILKISNMCIPXVRX-SNPRPXQTSA-N 2 2 334.380 0.932 20 5 ECBDLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3[nH]ncc3[N+](=O)[O-])CC2)CC1 ZINC000332149578 297008736 /nfs/dbraw/zinc/00/87/36/297008736.db2.gz PVLPENKYWZILOM-UHFFFAOYSA-N 2 2 336.396 0.606 20 5 ECBDLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3n[nH]cc3[N+](=O)[O-])CC2)CC1 ZINC000332149578 297008738 /nfs/dbraw/zinc/00/87/38/297008738.db2.gz PVLPENKYWZILOM-UHFFFAOYSA-N 2 2 336.396 0.606 20 5 ECBDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000305695890 437161793 /nfs/dbraw/zinc/16/17/93/437161793.db2.gz RWHZIGKHXSBAMQ-DZGCQCFKSA-N 2 2 348.407 0.840 20 5 ECBDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000305695890 437161797 /nfs/dbraw/zinc/16/17/97/437161797.db2.gz RWHZIGKHXSBAMQ-DZGCQCFKSA-N 2 2 348.407 0.840 20 5 ECBDLP O=C(NC[C@H]1C[NH2+]CCO1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000423992652 437874008 /nfs/dbraw/zinc/87/40/08/437874008.db2.gz PEMJFFLFSBNFNY-GFCCVEGCSA-N 2 2 331.332 0.499 20 5 ECBDLP O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000365682868 437950070 /nfs/dbraw/zinc/95/00/70/437950070.db2.gz WOCORRRPDAMKRU-DZGCQCFKSA-N 2 2 333.348 0.701 20 5 ECBDLP CC(C)C[NH2+]C1(CO)CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000595512181 438812613 /nfs/dbraw/zinc/81/26/13/438812613.db2.gz QTGZSAGAHVDFRX-UHFFFAOYSA-N 2 2 325.413 0.864 20 5 ECBDLP C[NH+]1CCN(C(=O)C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)CC1 ZINC000602966031 439170810 /nfs/dbraw/zinc/17/08/10/439170810.db2.gz VCZJLGJBFHNEPT-MRXNPFEDSA-N 2 2 336.392 0.166 20 5 ECBDLP Cn1c(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000609571821 439577535 /nfs/dbraw/zinc/57/75/35/439577535.db2.gz LTWQJDZEODCCCT-LBPRGKRZSA-N 2 2 335.408 0.832 20 5 ECBDLP Cn1c(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000609571821 439577540 /nfs/dbraw/zinc/57/75/40/439577540.db2.gz LTWQJDZEODCCCT-LBPRGKRZSA-N 2 2 335.408 0.832 20 5 ECBDLP Cn1c(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000609571820 439578370 /nfs/dbraw/zinc/57/83/70/439578370.db2.gz LTWQJDZEODCCCT-GFCCVEGCSA-N 2 2 335.408 0.832 20 5 ECBDLP Cn1c(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000609571820 439578376 /nfs/dbraw/zinc/57/83/76/439578376.db2.gz LTWQJDZEODCCCT-GFCCVEGCSA-N 2 2 335.408 0.832 20 5 ECBDLP CN(C(=O)c1cc([N+](=O)[O-])n[nH]1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000586779741 439661469 /nfs/dbraw/zinc/66/14/69/439661469.db2.gz PZJUEHYOTLBNRH-GFCCVEGCSA-N 2 2 336.396 0.558 20 5 ECBDLP CN(C(=O)c1cc([N+](=O)[O-])n[nH]1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000586779741 439661471 /nfs/dbraw/zinc/66/14/71/439661471.db2.gz PZJUEHYOTLBNRH-GFCCVEGCSA-N 2 2 336.396 0.558 20 5 ECBDLP O=C(NCC[N@H+]1CC[C@H](O)C1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000600807467 439704536 /nfs/dbraw/zinc/70/45/36/439704536.db2.gz DZUACLWNMMYPQU-ZDUSSCGKSA-N 2 2 345.359 0.577 20 5 ECBDLP O=C(NCC[N@@H+]1CC[C@H](O)C1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000600807467 439704538 /nfs/dbraw/zinc/70/45/38/439704538.db2.gz DZUACLWNMMYPQU-ZDUSSCGKSA-N 2 2 345.359 0.577 20 5 ECBDLP O=C(NCC[N@H+]1CC[C@@H](O)C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000600534204 546297146 /nfs/dbraw/zinc/29/71/46/546297146.db2.gz TZMAYFQKSALBNP-CYBMUJFWSA-N 2 2 345.359 0.577 20 5 ECBDLP O=C(NCC[N@@H+]1CC[C@@H](O)C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000600534204 546297150 /nfs/dbraw/zinc/29/71/50/546297150.db2.gz TZMAYFQKSALBNP-CYBMUJFWSA-N 2 2 345.359 0.577 20 5 ECBDLP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+]CC[N+](=O)[O-])c1 ZINC000905053610 586865426 /nfs/dbraw/zinc/86/54/26/586865426.db2.gz AVIYMRZNEVVJIT-UHFFFAOYSA-N 2 2 336.392 0.714 20 5 ECBDLP O=C(NC[C@H]1C[NH2+]CCCO1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000449708713 211293724 /nfs/dbraw/zinc/29/37/24/211293724.db2.gz WCFQJTONSZDBFK-CYBMUJFWSA-N 2 2 345.359 0.889 20 5 ECBDLP O=C(C[NH+]1CCCC1)N1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174845957 263151493 /nfs/dbraw/zinc/15/14/93/263151493.db2.gz UBDAQKJFBDVGDI-UHFFFAOYSA-N 2 2 336.396 0.031 20 5 ECBDLP COc1ccc(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1[N+](=O)[O-] ZINC000362696345 300210837 /nfs/dbraw/zinc/21/08/37/300210837.db2.gz YGNPJPQMVNEXOE-CQSZACIVSA-N 2 2 348.403 1.000 20 5 ECBDLP COc1ccc(C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1[N+](=O)[O-] ZINC000362696345 300210840 /nfs/dbraw/zinc/21/08/40/300210840.db2.gz YGNPJPQMVNEXOE-CQSZACIVSA-N 2 2 348.403 1.000 20 5 ECBDLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000362840160 300226190 /nfs/dbraw/zinc/22/61/90/300226190.db2.gz RTWDLXOZIJKUOX-HNNXBMFYSA-N 2 2 348.403 0.870 20 5 ECBDLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000362840160 300226194 /nfs/dbraw/zinc/22/61/94/300226194.db2.gz RTWDLXOZIJKUOX-HNNXBMFYSA-N 2 2 348.403 0.870 20 5 ECBDLP C[N@@H+]1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000162534030 436907221 /nfs/dbraw/zinc/90/72/21/436907221.db2.gz JEBZYRDJAWEXOP-OAHLLOKOSA-N 2 2 335.408 0.888 20 5 ECBDLP C[N@H+]1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000162534030 436907226 /nfs/dbraw/zinc/90/72/26/436907226.db2.gz JEBZYRDJAWEXOP-OAHLLOKOSA-N 2 2 335.408 0.888 20 5 ECBDLP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174853067 437090820 /nfs/dbraw/zinc/09/08/20/437090820.db2.gz LJBWCOJXBCHMLX-OAHLLOKOSA-N 2 2 336.440 0.893 20 5 ECBDLP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174853067 437090823 /nfs/dbraw/zinc/09/08/23/437090823.db2.gz LJBWCOJXBCHMLX-OAHLLOKOSA-N 2 2 336.440 0.893 20 5 ECBDLP C[NH+](C)C1CC[NH+](CCNC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000267285297 437314392 /nfs/dbraw/zinc/31/43/92/437314392.db2.gz UCFSOVGBFDWOMI-UHFFFAOYSA-N 2 2 335.408 0.933 20 5 ECBDLP C[C@@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]1 ZINC000422984473 438625053 /nfs/dbraw/zinc/62/50/53/438625053.db2.gz XWIOLUVIZBGZJE-VXGBXAGGSA-N 2 2 342.421 0.603 20 5 ECBDLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000516533147 438912928 /nfs/dbraw/zinc/91/29/28/438912928.db2.gz WCNJIQLSJKRPKZ-CABCVRRESA-N 2 2 341.412 0.099 20 5 ECBDLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000516533147 438912931 /nfs/dbraw/zinc/91/29/31/438912931.db2.gz WCNJIQLSJKRPKZ-CABCVRRESA-N 2 2 341.412 0.099 20 5 ECBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000591727536 439078281 /nfs/dbraw/zinc/07/82/81/439078281.db2.gz HGBQWTZOTCSRTE-OAHLLOKOSA-N 2 2 338.408 0.301 20 5 ECBDLP C[NH+](C)C[C@@H](CO)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000597652712 439149599 /nfs/dbraw/zinc/14/95/99/439149599.db2.gz FMZDBIBPORVUCH-LBPRGKRZSA-N 2 2 333.348 0.433 20 5 ECBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](CC[NH3+])CCO ZINC000342401733 321089838 /nfs/dbraw/zinc/08/98/38/321089838.db2.gz PFQCDDZZAWQRRS-UHFFFAOYSA-N 2 2 326.353 0.185 20 5 ECBDLP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](CC[NH3+])CCO ZINC000342401733 321089840 /nfs/dbraw/zinc/08/98/40/321089840.db2.gz PFQCDDZZAWQRRS-UHFFFAOYSA-N 2 2 326.353 0.185 20 5 ECBDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000855414546 589630678 /nfs/dbraw/zinc/63/06/78/589630678.db2.gz GVYAKPREYRRPOW-UHFFFAOYSA-N 2 2 341.387 0.929 20 5 ECBDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000855414546 589630679 /nfs/dbraw/zinc/63/06/79/589630679.db2.gz GVYAKPREYRRPOW-UHFFFAOYSA-N 2 2 341.387 0.929 20 5 ECBDLP O=[N+]([O-])c1ncccc1C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000886103122 590797392 /nfs/dbraw/zinc/79/73/92/590797392.db2.gz ZEPWNUYEVUBTPA-UHFFFAOYSA-N 2 2 336.392 0.649 20 5 ECBDLP Cn1cnc([N+](=O)[O-])c1C[NH2+]C[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000985167681 747497641 /nfs/dbraw/zinc/49/76/41/747497641.db2.gz OSMTXKBNWIQSDW-HAQNSBGRSA-N 2 2 347.379 0.209 20 5 ECBDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)Cn3ccc([N+](=O)[O-])n3)C2)CC1 ZINC000362712863 300212499 /nfs/dbraw/zinc/21/24/99/300212499.db2.gz YDLABCRMKWQWFV-LBPRGKRZSA-N 2 2 336.396 0.076 20 5 ECBDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)Cn3ccc([N+](=O)[O-])n3)C2)CC1 ZINC000362712863 300212501 /nfs/dbraw/zinc/21/25/01/300212501.db2.gz YDLABCRMKWQWFV-LBPRGKRZSA-N 2 2 336.396 0.076 20 5 ECBDLP C[NH+](C)C1CC[NH+](CCNC(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000267239540 437309041 /nfs/dbraw/zinc/30/90/41/437309041.db2.gz KJLKTFKXVAKAAV-UHFFFAOYSA-N 2 2 338.412 0.324 20 5 ECBDLP COc1ccc(NC(=O)C[NH2+]C2(CO)CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000595902843 438882348 /nfs/dbraw/zinc/88/23/48/438882348.db2.gz UUIKYQSYHNYLHE-UHFFFAOYSA-N 2 2 338.364 0.246 20 5 ECBDLP CCO[C@@H]1C[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1C[NH3+] ZINC000593736587 439459051 /nfs/dbraw/zinc/45/90/51/439459051.db2.gz BTGZMWIFYXBKDK-UHOFOFEASA-N 2 2 348.403 0.996 20 5 ECBDLP CCO[C@@H]1C[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1C[NH3+] ZINC000593736587 439459053 /nfs/dbraw/zinc/45/90/53/439459053.db2.gz BTGZMWIFYXBKDK-UHOFOFEASA-N 2 2 348.403 0.996 20 5 ECBDLP O=C(CC[NH2+]CC[NH+]1CCC(O)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000563811018 322346235 /nfs/dbraw/zinc/34/62/35/322346235.db2.gz QCNLIASOHPPMOR-UHFFFAOYSA-N 2 2 336.392 0.970 20 5 ECBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](CC[NH3+])CCO ZINC000420314309 209352089 /nfs/dbraw/zinc/35/20/89/209352089.db2.gz VOKXDEYJNOOTDK-UHFFFAOYSA-N 2 2 326.353 0.185 20 5 ECBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](CC[NH3+])CCO ZINC000420314309 209352091 /nfs/dbraw/zinc/35/20/91/209352091.db2.gz VOKXDEYJNOOTDK-UHFFFAOYSA-N 2 2 326.353 0.185 20 5 ECBDLP C[NH+](C)CC(=O)N1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000065222976 296609019 /nfs/dbraw/zinc/60/90/19/296609019.db2.gz HWYIUPTXTWQOKB-UHFFFAOYSA-N 2 2 336.392 0.679 20 5 ECBDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)Cn3ccc([N+](=O)[O-])n3)C2)CC1 ZINC000362712862 300212567 /nfs/dbraw/zinc/21/25/67/300212567.db2.gz YDLABCRMKWQWFV-GFCCVEGCSA-N 2 2 336.396 0.076 20 5 ECBDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)Cn3ccc([N+](=O)[O-])n3)C2)CC1 ZINC000362712862 300212569 /nfs/dbraw/zinc/21/25/69/300212569.db2.gz YDLABCRMKWQWFV-GFCCVEGCSA-N 2 2 336.396 0.076 20 5 ECBDLP CC[NH+]1CCN(c2ncnc(N3CC[NH+](CC)CC3)c2[N+](=O)[O-])CC1 ZINC000040610553 436267654 /nfs/dbraw/zinc/26/76/54/436267654.db2.gz PTIBWPVFFZUTHG-UHFFFAOYSA-N 2 2 349.439 0.669 20 5 ECBDLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000121331434 436713778 /nfs/dbraw/zinc/71/37/78/436713778.db2.gz LAEMXKBSPGDDIL-ZDUSSCGKSA-N 2 2 348.407 0.250 20 5 ECBDLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000121331434 436713782 /nfs/dbraw/zinc/71/37/82/436713782.db2.gz LAEMXKBSPGDDIL-ZDUSSCGKSA-N 2 2 348.407 0.250 20 5 ECBDLP C[NH+]1CCC([NH+]2CCC(Nc3ncc([N+](=O)[O-])c(N)n3)CC2)CC1 ZINC000299467805 437080170 /nfs/dbraw/zinc/08/01/70/437080170.db2.gz LVVDWYOHVIVZQC-UHFFFAOYSA-N 2 2 335.412 0.938 20 5 ECBDLP CC[NH+](CC)CC(=O)N1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176230422 437134725 /nfs/dbraw/zinc/13/47/25/437134725.db2.gz HJTLYOWYDKWSSR-UHFFFAOYSA-N 2 2 338.412 0.277 20 5 ECBDLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000358034608 438127304 /nfs/dbraw/zinc/12/73/04/438127304.db2.gz HIKPOPMGOVRQGY-BXUZGUMPSA-N 2 2 342.421 0.413 20 5 ECBDLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000358034608 438127308 /nfs/dbraw/zinc/12/73/08/438127308.db2.gz HIKPOPMGOVRQGY-BXUZGUMPSA-N 2 2 342.421 0.413 20 5 ECBDLP C[N@H+](C[C@H](O)C[NH+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CC1 ZINC000351713985 438324882 /nfs/dbraw/zinc/32/48/82/438324882.db2.gz XYYCLJIOAJROIV-DOMZBBRYSA-N 2 2 335.408 0.931 20 5 ECBDLP C[N@@H+](C[C@H](O)C[NH+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CC1 ZINC000351713985 438324886 /nfs/dbraw/zinc/32/48/86/438324886.db2.gz XYYCLJIOAJROIV-DOMZBBRYSA-N 2 2 335.408 0.931 20 5 ECBDLP C[NH+](C[C@H](O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CC1 ZINC000351713985 438324890 /nfs/dbraw/zinc/32/48/90/438324890.db2.gz XYYCLJIOAJROIV-DOMZBBRYSA-N 2 2 335.408 0.931 20 5 ECBDLP C[NH+](C[C@H](O)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CC1 ZINC000351713985 438324893 /nfs/dbraw/zinc/32/48/93/438324893.db2.gz XYYCLJIOAJROIV-DOMZBBRYSA-N 2 2 335.408 0.931 20 5 ECBDLP O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000574917388 438728229 /nfs/dbraw/zinc/72/82/29/438728229.db2.gz VQKCPIRBLBCHIL-UHFFFAOYSA-N 2 2 347.419 0.258 20 5 ECBDLP C[N@@H+]1CCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)[C@@H](C[NH3+])C1 ZINC000567047108 439108714 /nfs/dbraw/zinc/10/87/14/439108714.db2.gz KHFYLMUHVVFMIQ-NSHDSACASA-N 2 2 345.359 0.564 20 5 ECBDLP C[N@H+]1CCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)[C@@H](C[NH3+])C1 ZINC000567047108 439108718 /nfs/dbraw/zinc/10/87/18/439108718.db2.gz KHFYLMUHVVFMIQ-NSHDSACASA-N 2 2 345.359 0.564 20 5 ECBDLP C[C@H]([NH3+])[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCO1 ZINC000592307404 439198270 /nfs/dbraw/zinc/19/82/70/439198270.db2.gz HVIRRZJVJLKMDL-NHYWBVRUSA-N 2 2 345.359 0.969 20 5 ECBDLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000863571510 590024390 /nfs/dbraw/zinc/02/43/90/590024390.db2.gz ZVKYZFOXEIIIOD-GJZGRUSLSA-N 2 2 336.392 0.558 20 5 ECBDLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000863571510 590024391 /nfs/dbraw/zinc/02/43/91/590024391.db2.gz ZVKYZFOXEIIIOD-GJZGRUSLSA-N 2 2 336.392 0.558 20 5 ECBDLP Cc1n[nH]c(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000264960728 247087941 /nfs/dbraw/zinc/08/79/41/247087941.db2.gz ZPBYDENIPRUAIR-UHFFFAOYSA-N 2 2 338.412 0.724 20 5 ECBDLP Cc1n[nH]c(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000264960728 247087946 /nfs/dbraw/zinc/08/79/46/247087946.db2.gz ZPBYDENIPRUAIR-UHFFFAOYSA-N 2 2 338.412 0.724 20 5 ECBDLP Cc1[nH]nc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000264960728 247087950 /nfs/dbraw/zinc/08/79/50/247087950.db2.gz ZPBYDENIPRUAIR-UHFFFAOYSA-N 2 2 338.412 0.724 20 5 ECBDLP Cc1[nH]nc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000264960728 247087954 /nfs/dbraw/zinc/08/79/54/247087954.db2.gz ZPBYDENIPRUAIR-UHFFFAOYSA-N 2 2 338.412 0.724 20 5 ECBDLP NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000131562837 436855720 /nfs/dbraw/zinc/85/57/20/436855720.db2.gz NEQUTNPJHPVFRT-CYBMUJFWSA-N 2 2 336.396 0.205 20 5 ECBDLP NC(=O)[C@H]1CCC[N@H+]1C1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000131562837 436855722 /nfs/dbraw/zinc/85/57/22/436855722.db2.gz NEQUTNPJHPVFRT-CYBMUJFWSA-N 2 2 336.396 0.205 20 5 ECBDLP C[C@@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]1 ZINC000422949495 438620017 /nfs/dbraw/zinc/62/00/17/438620017.db2.gz VHOGZNZNRGYQLF-RISCZKNCSA-N 2 2 342.421 0.603 20 5 ECBDLP O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C2(CO)CC[NH2+]CC2)cc1 ZINC000595896558 438878718 /nfs/dbraw/zinc/87/87/18/438878718.db2.gz GANMFVZEXRJCOM-UHFFFAOYSA-N 2 2 343.405 0.073 20 5 ECBDLP C[C@H]1C[N@H+](Cc2cn(C)nc2[N+](=O)[O-])CC[C@@H]1N1CC[NH+](C)CC1 ZINC000602485780 439098464 /nfs/dbraw/zinc/09/84/64/439098464.db2.gz ZKVKOHCKOBIWBB-ZFWWWQNUSA-N 2 2 336.440 0.786 20 5 ECBDLP C[C@H]1C[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])CC[C@@H]1N1CC[NH+](C)CC1 ZINC000602485780 439098467 /nfs/dbraw/zinc/09/84/67/439098467.db2.gz ZKVKOHCKOBIWBB-ZFWWWQNUSA-N 2 2 336.440 0.786 20 5 ECBDLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000598750118 439311008 /nfs/dbraw/zinc/31/10/08/439311008.db2.gz RTOQDYVMBYVLTI-NSHDSACASA-N 2 2 339.396 0.697 20 5 ECBDLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000598750118 439311011 /nfs/dbraw/zinc/31/10/11/439311011.db2.gz RTOQDYVMBYVLTI-NSHDSACASA-N 2 2 339.396 0.697 20 5 ECBDLP C[NH+](C)CC(=O)N1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000046063645 436384432 /nfs/dbraw/zinc/38/44/32/436384432.db2.gz OZVABENJVXQOMF-UHFFFAOYSA-N 2 2 336.392 0.679 20 5 ECBDLP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174853077 437089780 /nfs/dbraw/zinc/08/97/80/437089780.db2.gz LJBWCOJXBCHMLX-HNNXBMFYSA-N 2 2 336.440 0.893 20 5 ECBDLP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174853077 437089783 /nfs/dbraw/zinc/08/97/83/437089783.db2.gz LJBWCOJXBCHMLX-HNNXBMFYSA-N 2 2 336.440 0.893 20 5 ECBDLP COc1cc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)c([N+](=O)[O-])cc1OC ZINC000358164962 438173025 /nfs/dbraw/zinc/17/30/25/438173025.db2.gz NTRSQMUZVPIWMO-OAHLLOKOSA-N 2 2 325.365 0.768 20 5 ECBDLP COc1cc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c([N+](=O)[O-])cc1OC ZINC000358164962 438173028 /nfs/dbraw/zinc/17/30/28/438173028.db2.gz NTRSQMUZVPIWMO-OAHLLOKOSA-N 2 2 325.365 0.768 20 5 ECBDLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3c([N+](=O)[O-])ncn3C)C2)CC1 ZINC000370047680 438546786 /nfs/dbraw/zinc/54/67/86/438546786.db2.gz ZJUNXVOYNBASDO-AWEZNQCLSA-N 2 2 336.440 0.929 20 5 ECBDLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3c([N+](=O)[O-])ncn3C)C2)CC1 ZINC000370047680 438546788 /nfs/dbraw/zinc/54/67/88/438546788.db2.gz ZJUNXVOYNBASDO-AWEZNQCLSA-N 2 2 336.440 0.929 20 5 ECBDLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000579104041 438980710 /nfs/dbraw/zinc/98/07/10/438980710.db2.gz ZZMYSQDNTGLBLZ-UONOGXRCSA-N 2 2 338.408 0.170 20 5 ECBDLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000579104041 438980715 /nfs/dbraw/zinc/98/07/15/438980715.db2.gz ZZMYSQDNTGLBLZ-UONOGXRCSA-N 2 2 338.408 0.170 20 5 ECBDLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000593980909 439502676 /nfs/dbraw/zinc/50/26/76/439502676.db2.gz CZUILVPHODTUFT-AWEZNQCLSA-N 2 2 341.412 0.367 20 5 ECBDLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000593980909 439502681 /nfs/dbraw/zinc/50/26/81/439502681.db2.gz CZUILVPHODTUFT-AWEZNQCLSA-N 2 2 341.412 0.367 20 5 ECBDLP Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000609571499 439577981 /nfs/dbraw/zinc/57/79/81/439577981.db2.gz BHJLQKFYJZHKMG-GFCCVEGCSA-N 2 2 335.408 0.832 20 5 ECBDLP Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000609571499 439577987 /nfs/dbraw/zinc/57/79/87/439577987.db2.gz BHJLQKFYJZHKMG-GFCCVEGCSA-N 2 2 335.408 0.832 20 5 ECBDLP [NH3+]C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCO1 ZINC000274715686 436863803 /nfs/dbraw/zinc/86/38/03/436863803.db2.gz AMAGJDZZBKZPRM-GFCCVEGCSA-N 2 2 331.332 0.580 20 5 ECBDLP COc1ccc(NC(=O)CC[N@@H+]2CCO[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000358123774 438159957 /nfs/dbraw/zinc/15/99/57/438159957.db2.gz NOTLJRFBIHYBCJ-LBPRGKRZSA-N 2 2 338.364 0.592 20 5 ECBDLP COc1ccc(NC(=O)CC[N@H+]2CCO[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000358123774 438159959 /nfs/dbraw/zinc/15/99/59/438159959.db2.gz NOTLJRFBIHYBCJ-LBPRGKRZSA-N 2 2 338.364 0.592 20 5 ECBDLP Cc1cn2c([nH+]1)[C@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CCC2 ZINC000591757159 439081573 /nfs/dbraw/zinc/08/15/73/439081573.db2.gz MONQHSVGGUORPC-GXTWGEPZSA-N 2 2 334.380 0.824 20 5 ECBDLP Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000602790497 439135220 /nfs/dbraw/zinc/13/52/20/439135220.db2.gz JVNGXLTTXQGSPE-OAHLLOKOSA-N 2 2 336.440 0.812 20 5 ECBDLP Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000602790497 439135224 /nfs/dbraw/zinc/13/52/24/439135224.db2.gz JVNGXLTTXQGSPE-OAHLLOKOSA-N 2 2 336.440 0.812 20 5 ECBDLP CC[NH+]1CCN(c2ncc([N+](=O)[O-])c(N3CC[NH+](CC)CC3)n2)CC1 ZINC000603263486 439221890 /nfs/dbraw/zinc/22/18/90/439221890.db2.gz ACRFRNUEFFCBET-UHFFFAOYSA-N 2 2 349.439 0.669 20 5 ECBDLP C[C@@H]1C[NH+](CCC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H](C)O1 ZINC000583603189 439485975 /nfs/dbraw/zinc/48/59/75/439485975.db2.gz KHLDJMUSZHPRIF-NFAWXSAZSA-N 2 2 341.412 0.241 20 5 ECBDLP Cc1n[nH]c(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000609571779 439577946 /nfs/dbraw/zinc/57/79/46/439577946.db2.gz JKQHNNDACNPOCC-NSHDSACASA-N 2 2 336.396 0.525 20 5 ECBDLP Cc1n[nH]c(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000609571779 439577950 /nfs/dbraw/zinc/57/79/50/439577950.db2.gz JKQHNNDACNPOCC-NSHDSACASA-N 2 2 336.396 0.525 20 5 ECBDLP O=C(N1CC[NH2+]CC[NH2+]CC1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000900476020 586637018 /nfs/dbraw/zinc/63/70/18/586637018.db2.gz WCIMQENLRHKOHL-UHFFFAOYSA-N 2 2 344.318 0.588 20 5 ECBDLP O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000595865138 438873328 /nfs/dbraw/zinc/87/33/28/438873328.db2.gz ZQWBMDCPDHKXND-OAHLLOKOSA-N 2 2 336.392 0.288 20 5 ECBDLP O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000595865138 438873333 /nfs/dbraw/zinc/87/33/33/438873333.db2.gz ZQWBMDCPDHKXND-OAHLLOKOSA-N 2 2 336.392 0.288 20 5 ECBDLP O=[N+]([O-])c1cc2c(cc1C[NH+]1CCN([C@@H]3CC[NH2+]C3)CC1)OCCO2 ZINC000592434885 439226959 /nfs/dbraw/zinc/22/69/59/439226959.db2.gz PYRZZEUNKOXUEC-CQSZACIVSA-N 2 2 348.403 0.846 20 5 ECBDLP C[C@@H]1C[NH2+]C[C@H]([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000592439016 439231043 /nfs/dbraw/zinc/23/10/43/439231043.db2.gz XRYJJLVQWCWSGU-NWDGAFQWSA-N 2 2 342.421 0.461 20 5 ECBDLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000593905985 439492206 /nfs/dbraw/zinc/49/22/06/439492206.db2.gz QVPGUXJKEXVHAU-DGCLKSJQSA-N 2 2 336.396 0.282 20 5 ECBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000594736732 439598431 /nfs/dbraw/zinc/59/84/31/439598431.db2.gz QWAQQDNGCPNKRR-ZIAGYGMSSA-N 2 2 334.376 0.737 20 5 ECBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000594736732 439598436 /nfs/dbraw/zinc/59/84/36/439598436.db2.gz QWAQQDNGCPNKRR-ZIAGYGMSSA-N 2 2 334.376 0.737 20 5 ECBDLP Cn1cc[nH+]c1[C@H](NC[C@@H]1COCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000600709846 439693780 /nfs/dbraw/zinc/69/37/80/439693780.db2.gz KFGDQNQRDJIGEE-UKRRQHHQSA-N 2 2 331.376 0.996 20 5 ECBDLP COC(=O)COc1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000616137259 439812060 /nfs/dbraw/zinc/81/20/60/439812060.db2.gz DZKXSZHNMBTKSI-STQMWFEESA-N 2 2 335.360 0.798 20 5 ECBDLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000879355727 590581482 /nfs/dbraw/zinc/58/14/82/590581482.db2.gz KUIRHELNYWRBTP-OAHLLOKOSA-N 2 2 336.392 0.334 20 5 ECBDLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000879355727 590581485 /nfs/dbraw/zinc/58/14/85/590581485.db2.gz KUIRHELNYWRBTP-OAHLLOKOSA-N 2 2 336.392 0.334 20 5 ECBDLP O=[N+]([O-])c1c(NCC2([NH+]3CCCC3)COC2)ncnc1C1C[NH2+]C1 ZINC001168443892 766743701 /nfs/dbraw/zinc/74/37/01/766743701.db2.gz BAVBUISHCPYPHI-UHFFFAOYSA-N 2 2 334.380 0.348 20 5 ECBDLP Cn1cc[nH+]c1N1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000090564487 436432339 /nfs/dbraw/zinc/43/23/39/436432339.db2.gz PSILRMMRSNAUES-UHFFFAOYSA-N 2 2 332.364 0.312 20 5 ECBDLP C[N@H+](CCN1CC[NH2+]CC1)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000592472006 439234039 /nfs/dbraw/zinc/23/40/39/439234039.db2.gz CPOCWMXYAXVKPR-UHFFFAOYSA-N 2 2 346.391 0.982 20 5 ECBDLP C[N@@H+](CCN1CC[NH2+]CC1)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000592472006 439234041 /nfs/dbraw/zinc/23/40/41/439234041.db2.gz CPOCWMXYAXVKPR-UHFFFAOYSA-N 2 2 346.391 0.982 20 5 ECBDLP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000594822256 439622325 /nfs/dbraw/zinc/62/23/25/439622325.db2.gz UFFYUNPAQNJLHC-UHFFFAOYSA-N 2 2 345.425 0.152 20 5 ECBDLP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000594822256 439622328 /nfs/dbraw/zinc/62/23/28/439622328.db2.gz UFFYUNPAQNJLHC-UHFFFAOYSA-N 2 2 345.425 0.152 20 5 ECBDLP Cn1cc[nH+]c1[C@H](NC[C@@H](O)C[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000353504160 321395971 /nfs/dbraw/zinc/39/59/71/321395971.db2.gz QKEYAMKXGJGLLJ-HUUCEWRRSA-N 2 2 333.392 0.930 20 5 ECBDLP C[N@@H+]1CC[C@@](O)(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000450622536 211336228 /nfs/dbraw/zinc/33/62/28/211336228.db2.gz KDLHKIIUMKZGRR-MRXNPFEDSA-N 2 2 345.359 0.577 20 5 ECBDLP C[N@H+]1CC[C@@](O)(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000450622536 211336232 /nfs/dbraw/zinc/33/62/32/211336232.db2.gz KDLHKIIUMKZGRR-MRXNPFEDSA-N 2 2 345.359 0.577 20 5 ECBDLP C[C@@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]1 ZINC000422949493 438620173 /nfs/dbraw/zinc/62/01/73/438620173.db2.gz VHOGZNZNRGYQLF-BXUZGUMPSA-N 2 2 342.421 0.603 20 5 ECBDLP Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000602837549 439143328 /nfs/dbraw/zinc/14/33/28/439143328.db2.gz ORSOYKKQHCGLQG-UHFFFAOYSA-N 2 2 337.424 0.926 20 5 ECBDLP O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)c1 ZINC000568346936 439239129 /nfs/dbraw/zinc/23/91/29/439239129.db2.gz IGWRVDICWAONLH-CQSZACIVSA-N 2 2 347.375 0.880 20 5 ECBDLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000593980910 439503356 /nfs/dbraw/zinc/50/33/56/439503356.db2.gz CZUILVPHODTUFT-CQSZACIVSA-N 2 2 341.412 0.367 20 5 ECBDLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000593980910 439503359 /nfs/dbraw/zinc/50/33/59/439503359.db2.gz CZUILVPHODTUFT-CQSZACIVSA-N 2 2 341.412 0.367 20 5 ECBDLP C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000842475900 589031890 /nfs/dbraw/zinc/03/18/90/589031890.db2.gz WFXOXYAVNRIMJS-SCZZXKLOSA-N 2 2 330.772 0.827 20 5 ECBDLP C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000842475900 589031892 /nfs/dbraw/zinc/03/18/92/589031892.db2.gz WFXOXYAVNRIMJS-SCZZXKLOSA-N 2 2 330.772 0.827 20 5 ECBDLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923332851 611230235 /nfs/dbraw/zinc/23/02/35/611230235.db2.gz MYZPBJJRMRMBLJ-HOTGVXAUSA-N 2 2 348.403 0.524 20 5 ECBDLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923332851 611230237 /nfs/dbraw/zinc/23/02/37/611230237.db2.gz MYZPBJJRMRMBLJ-HOTGVXAUSA-N 2 2 348.403 0.524 20 5 ECBDLP Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000374872747 301130623 /nfs/dbraw/zinc/13/06/23/301130623.db2.gz FHJONCPONDTXDQ-CQSZACIVSA-N 2 2 336.440 0.930 20 5 ECBDLP Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000374872747 301130626 /nfs/dbraw/zinc/13/06/26/301130626.db2.gz FHJONCPONDTXDQ-CQSZACIVSA-N 2 2 336.440 0.930 20 5 ECBDLP C[N@@H+]1CC[C@@](O)(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000358041107 438129766 /nfs/dbraw/zinc/12/97/66/438129766.db2.gz FJWXKUJOSJDSSI-MRXNPFEDSA-N 2 2 345.359 0.577 20 5 ECBDLP C[N@H+]1CC[C@@](O)(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000358041107 438129770 /nfs/dbraw/zinc/12/97/70/438129770.db2.gz FJWXKUJOSJDSSI-MRXNPFEDSA-N 2 2 345.359 0.577 20 5 ECBDLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000358049887 438132515 /nfs/dbraw/zinc/13/25/15/438132515.db2.gz SFTSZKCMVYQGMQ-RYUDHWBXSA-N 2 2 342.421 0.413 20 5 ECBDLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000358049887 438132521 /nfs/dbraw/zinc/13/25/21/438132521.db2.gz SFTSZKCMVYQGMQ-RYUDHWBXSA-N 2 2 342.421 0.413 20 5 ECBDLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000358229853 438186233 /nfs/dbraw/zinc/18/62/33/438186233.db2.gz XQUVLAKLFRMDMB-FZMZJTMJSA-N 2 2 342.421 0.413 20 5 ECBDLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000358229853 438186238 /nfs/dbraw/zinc/18/62/38/438186238.db2.gz XQUVLAKLFRMDMB-FZMZJTMJSA-N 2 2 342.421 0.413 20 5 ECBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCO[C@@H](C[NH3+])C1 ZINC000358131573 438163406 /nfs/dbraw/zinc/16/34/06/438163406.db2.gz VUBWKDPQYLHDND-LBPRGKRZSA-N 2 2 338.364 0.592 20 5 ECBDLP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCO[C@@H](C[NH3+])C1 ZINC000358131573 438163410 /nfs/dbraw/zinc/16/34/10/438163410.db2.gz VUBWKDPQYLHDND-LBPRGKRZSA-N 2 2 338.364 0.592 20 5 ECBDLP C[C@@H]1C[N@@H+](CCC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000583603191 439487379 /nfs/dbraw/zinc/48/73/79/439487379.db2.gz KHLDJMUSZHPRIF-VNHYZAJKSA-N 2 2 341.412 0.241 20 5 ECBDLP C[C@@H]1C[N@H+](CCC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000583603191 439487385 /nfs/dbraw/zinc/48/73/85/439487385.db2.gz KHLDJMUSZHPRIF-VNHYZAJKSA-N 2 2 341.412 0.241 20 5 ECBDLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000593902018 439489905 /nfs/dbraw/zinc/48/99/05/439489905.db2.gz MNNZWVLMXMHKOP-CYBMUJFWSA-N 2 2 335.408 0.522 20 5 ECBDLP