smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@](CO)(Cc1ccccc1F)[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000865716418 1126115734 /nfs/dbraw/zinc/11/57/34/1126115734.db2.gz SMERSZKFUBEIRU-QGZVFWFLSA-N 1 2 334.347 2.523 10 5 EFBELO O=C(NCC=C(Cl)Cl)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001570868183 1086577953 /nfs/dbraw/zinc/57/79/53/1086577953.db2.gz SGKGYZHJFJBMSB-UHFFFAOYSA-N 1 2 341.154 2.829 10 5 EFBELO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCc2c[nH]c(C(C)C)[nH+]2)c1 ZINC001647824556 1089888841 /nfs/dbraw/zinc/88/88/41/1089888841.db2.gz JVRVTSKEMQHOMQ-UHFFFAOYSA-N 1 2 346.387 2.835 10 5 EFBELO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCc2c[nH+]c(C(C)C)[nH]2)c1 ZINC001647824556 1089888856 /nfs/dbraw/zinc/88/88/56/1089888856.db2.gz JVRVTSKEMQHOMQ-UHFFFAOYSA-N 1 2 346.387 2.835 10 5 EFBELO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CO)c2ccc(F)cc2F)cc1F ZINC001647836990 1089891408 /nfs/dbraw/zinc/89/14/08/1089891408.db2.gz CZVFZBJNOCSIIB-AWEZNQCLSA-N 1 2 326.274 2.835 10 5 EFBELO O=C1OC[C@@H]2C[N@@H+](Cc3cc(Cl)cc(Cl)c3[N+](=O)[O-])C[C@H]12 ZINC001647942773 1089914555 /nfs/dbraw/zinc/91/45/55/1089914555.db2.gz QYYUVALMBLPOTB-WPRPVWTQSA-N 1 2 331.155 2.506 10 5 EFBELO O=C1OC[C@@H]2C[N@H+](Cc3cc(Cl)cc(Cl)c3[N+](=O)[O-])C[C@H]12 ZINC001647942773 1089914574 /nfs/dbraw/zinc/91/45/74/1089914574.db2.gz QYYUVALMBLPOTB-WPRPVWTQSA-N 1 2 331.155 2.506 10 5 EFBELO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCc2nc[nH]c2C12CCCCC2 ZINC001648312159 1089981095 /nfs/dbraw/zinc/98/10/95/1089981095.db2.gz SBEGASCCBCBITA-UHFFFAOYSA-N 1 2 344.419 2.541 10 5 EFBELO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCc2nc[nH]c2C12CCCCC2 ZINC001648312159 1089981101 /nfs/dbraw/zinc/98/11/01/1089981101.db2.gz SBEGASCCBCBITA-UHFFFAOYSA-N 1 2 344.419 2.541 10 5 EFBELO Cn1c[nH+]c(CCNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c1 ZINC001584478966 1092181920 /nfs/dbraw/zinc/18/19/20/1092181920.db2.gz ZMOFUOXKURFQSE-UHFFFAOYSA-N 1 2 330.369 2.516 10 5 EFBELO Cc1nnc(N2CC[NH+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)s1 ZINC001648372105 1092207877 /nfs/dbraw/zinc/20/78/77/1092207877.db2.gz QLTHGRPODOSAMC-LBPRGKRZSA-N 1 2 347.444 2.946 10 5 EFBELO C[C@@H]1Cc2cnccc2N1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001586733499 1092755429 /nfs/dbraw/zinc/75/54/29/1092755429.db2.gz UULBHQVEAXOSFX-GFCCVEGCSA-N 1 2 349.350 2.767 10 5 EFBELO C[C@H](CC(=O)Nc1nccc2ccc([N+](=O)[O-])cc21)n1cc[nH+]c1 ZINC001586998755 1092775543 /nfs/dbraw/zinc/77/55/43/1092775543.db2.gz BMDOWVVGFKZAGH-LLVKDONJSA-N 1 2 325.328 2.929 10 5 EFBELO O=C(NCc1[nH]c2c([nH+]1)CCCC2)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001597584593 1094603044 /nfs/dbraw/zinc/60/30/44/1094603044.db2.gz GSSBLJCXLSPKJK-ZIAGYGMSSA-N 1 2 340.383 2.617 10 5 EFBELO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC001611515247 1099018643 /nfs/dbraw/zinc/01/86/43/1099018643.db2.gz DQMNTBJODUNACB-CHWSQXEVSA-N 1 2 337.339 2.619 10 5 EFBELO CCc1cc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)nc(CC)[nH+]1 ZINC001611721294 1099030771 /nfs/dbraw/zinc/03/07/71/1099030771.db2.gz PZIQNYYGORLUHX-UHFFFAOYSA-N 1 2 341.415 2.836 10 5 EFBELO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCN(Cc2ccno2)CC1 ZINC001620536494 1099359245 /nfs/dbraw/zinc/35/92/45/1099359245.db2.gz WRDLPGDVSLVGHN-CQSZACIVSA-N 1 2 330.388 2.770 10 5 EFBELO O=C(Nc1ccc2n[nH]cc2c1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001623998192 1099649572 /nfs/dbraw/zinc/64/95/72/1099649572.db2.gz PZGFONRCQHEDQV-UHFFFAOYSA-N 1 2 348.322 2.909 10 5 EFBELO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC[N@@H+]2C[C@@H](F)C[C@H]2C1 ZINC001624764440 1099727332 /nfs/dbraw/zinc/72/73/32/1099727332.db2.gz MUMKEYSOLKYLLL-AAEUAGOBSA-N 1 2 349.387 2.678 10 5 EFBELO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC[N@H+]2C[C@@H](F)C[C@H]2C1 ZINC001624764440 1099727341 /nfs/dbraw/zinc/72/73/41/1099727341.db2.gz MUMKEYSOLKYLLL-AAEUAGOBSA-N 1 2 349.387 2.678 10 5 EFBELO O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)c1ccc([N+](=O)[O-])cc1O ZINC001626345412 1099863693 /nfs/dbraw/zinc/86/36/93/1099863693.db2.gz OTOPHLYWZIAKJC-OAHLLOKOSA-N 1 2 347.415 2.827 10 5 EFBELO O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)c1ccc([N+](=O)[O-])cc1O ZINC001626345412 1099863699 /nfs/dbraw/zinc/86/36/99/1099863699.db2.gz OTOPHLYWZIAKJC-OAHLLOKOSA-N 1 2 347.415 2.827 10 5 EFBELO CO[C@@H]1CCCC[C@@H]1OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000044732920 1100323969 /nfs/dbraw/zinc/32/39/69/1100323969.db2.gz YCQVPQNUWCUWBX-CVEARBPZSA-N 1 2 345.355 2.895 10 5 EFBELO C[NH+](C)CCc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC001632236419 1100461701 /nfs/dbraw/zinc/46/17/01/1100461701.db2.gz NXRJDHDCCSIMMP-UHFFFAOYSA-N 1 2 329.356 2.657 10 5 EFBELO O=C(N[C@@H]1CCn2c[nH+]cc21)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001634085523 1100583858 /nfs/dbraw/zinc/58/38/58/1100583858.db2.gz YLWBYJHGOPQWAA-SNVBAGLBSA-N 1 2 341.154 2.973 10 5 EFBELO CC(C)(C(=O)NCc1[nH]c2c([nH+]1)CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC001635854540 1100684597 /nfs/dbraw/zinc/68/45/97/1100684597.db2.gz HHHRJFQLDWVKQA-UHFFFAOYSA-N 1 2 342.399 2.791 10 5 EFBELO O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)c1cc([N+](=O)[O-])c[nH]1 ZINC001641358601 1101128306 /nfs/dbraw/zinc/12/83/06/1101128306.db2.gz ADNVVOCGGPEDSU-UHFFFAOYSA-N 1 2 345.746 2.692 10 5 EFBELO O=C(NCCn1c[nH+]cc1-c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC001641777723 1101164877 /nfs/dbraw/zinc/16/48/77/1101164877.db2.gz UCVYXRWYWMVYPG-UHFFFAOYSA-N 1 2 336.351 2.888 10 5 EFBELO CCOC(=O)c1cc([N+](=O)[O-])c(NCc2c[nH+]c(CC)[nH]2)cc1C ZINC001651460380 1101333410 /nfs/dbraw/zinc/33/34/10/1101333410.db2.gz MITICWSQHRDCRY-UHFFFAOYSA-N 1 2 332.360 2.978 10 5 EFBELO CCOC(=O)c1cc([N+](=O)[O-])c(NCc2c[nH]c(CC)[nH+]2)cc1C ZINC001651460380 1101333426 /nfs/dbraw/zinc/33/34/26/1101333426.db2.gz MITICWSQHRDCRY-UHFFFAOYSA-N 1 2 332.360 2.978 10 5 EFBELO CC(C)(C)OC(=O)N1CC[N@H+](CC[N+](=O)[O-])C2(CCCCC2)C1 ZINC001657636118 1102399523 /nfs/dbraw/zinc/39/95/23/1102399523.db2.gz ZJXHODBCYIGFQZ-UHFFFAOYSA-N 1 2 327.425 2.519 10 5 EFBELO CC(C)(C)OC(=O)N1CC[N@@H+](CC[N+](=O)[O-])C2(CCCCC2)C1 ZINC001657636118 1102399536 /nfs/dbraw/zinc/39/95/36/1102399536.db2.gz ZJXHODBCYIGFQZ-UHFFFAOYSA-N 1 2 327.425 2.519 10 5 EFBELO CC(C)(C)OC[C@H]1CCC[N@@H+]1Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000905724364 1103559349 /nfs/dbraw/zinc/55/93/49/1103559349.db2.gz IGTHSAHEAOARMQ-CYBMUJFWSA-N 1 2 349.387 2.740 10 5 EFBELO CC(C)(C)OC[C@H]1CCC[N@H+]1Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000905724364 1103559358 /nfs/dbraw/zinc/55/93/58/1103559358.db2.gz IGTHSAHEAOARMQ-CYBMUJFWSA-N 1 2 349.387 2.740 10 5 EFBELO CCC[N@H+](CCNC(=O)C1CCC1)Cc1csc([N+](=O)[O-])c1 ZINC001663648690 1104181959 /nfs/dbraw/zinc/18/19/59/1104181959.db2.gz BQAURWDYZBODJD-UHFFFAOYSA-N 1 2 325.434 2.785 10 5 EFBELO CCC[N@@H+](CCNC(=O)C1CCC1)Cc1csc([N+](=O)[O-])c1 ZINC001663648690 1104181968 /nfs/dbraw/zinc/18/19/68/1104181968.db2.gz BQAURWDYZBODJD-UHFFFAOYSA-N 1 2 325.434 2.785 10 5 EFBELO CCNc1cc(CNC(=O)NCc2cccc([N+](=O)[O-])c2C)cc[nH+]1 ZINC001680072917 1107783957 /nfs/dbraw/zinc/78/39/57/1107783957.db2.gz HZZLFKLUVUEAHK-UHFFFAOYSA-N 1 2 343.387 2.729 10 5 EFBELO O=C(N[C@@H]1CCC[N@H+](CCF)C1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000898490582 1108971887 /nfs/dbraw/zinc/97/18/87/1108971887.db2.gz ULYRSCBWMRDZJK-GFCCVEGCSA-N 1 2 335.335 2.505 10 5 EFBELO O=C(N[C@@H]1CCC[N@@H+](CCF)C1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000898490582 1108971892 /nfs/dbraw/zinc/97/18/92/1108971892.db2.gz ULYRSCBWMRDZJK-GFCCVEGCSA-N 1 2 335.335 2.505 10 5 EFBELO Cc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[N@H+](CCF)C2)cc1Cl ZINC000898502148 1108986891 /nfs/dbraw/zinc/98/68/91/1108986891.db2.gz AYLDPTLWOMSRKH-NSHDSACASA-N 1 2 343.786 2.720 10 5 EFBELO Cc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[N@@H+](CCF)C2)cc1Cl ZINC000898502148 1108986894 /nfs/dbraw/zinc/98/68/94/1108986894.db2.gz AYLDPTLWOMSRKH-NSHDSACASA-N 1 2 343.786 2.720 10 5 EFBELO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000898898741 1109121753 /nfs/dbraw/zinc/12/17/53/1109121753.db2.gz AXGUWPLEFSXTPN-LBPRGKRZSA-N 1 2 348.428 2.823 10 5 EFBELO CCc1cnc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)o1 ZINC001126906068 1109366460 /nfs/dbraw/zinc/36/64/60/1109366460.db2.gz NVXOMBSDQIJIJD-UHFFFAOYSA-N 1 2 327.300 2.583 10 5 EFBELO CC1(C)C(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1(C)C ZINC001126910627 1109516914 /nfs/dbraw/zinc/51/69/14/1109516914.db2.gz ARDIYVWWRUNTHP-UHFFFAOYSA-N 1 2 328.372 2.945 10 5 EFBELO Cc1ncc(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)s1 ZINC001127325744 1111440354 /nfs/dbraw/zinc/44/03/54/1111440354.db2.gz YCNTUWVXUQUICR-UHFFFAOYSA-N 1 2 329.341 2.798 10 5 EFBELO C[C@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])[C@H](c1ccccc1)[NH+](C)C ZINC000356261023 299244316 /nfs/dbraw/zinc/24/43/16/299244316.db2.gz VNXXXPKOFLPCSE-YVEFUNNKSA-N 1 2 343.383 2.722 10 5 EFBELO C[C@@H]1[C@@H](O)CCC[N@@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000295003902 201348388 /nfs/dbraw/zinc/34/83/88/201348388.db2.gz LPIKVZGCOZOIDD-RNCFNFMXSA-N 1 2 329.194 2.703 10 5 EFBELO C[C@@H]1[C@@H](O)CCC[N@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000295003902 201348390 /nfs/dbraw/zinc/34/83/90/201348390.db2.gz LPIKVZGCOZOIDD-RNCFNFMXSA-N 1 2 329.194 2.703 10 5 EFBELO O=[N+]([O-])c1ccc(O)cc1C[NH2+]C1(CO)C2CC3CC(C2)CC1C3 ZINC000412002385 243066219 /nfs/dbraw/zinc/06/62/19/243066219.db2.gz KUZVZUWNGUKGGH-UHFFFAOYSA-N 1 2 332.400 2.577 10 5 EFBELO CC(C)Cn1cc[nH+]c1CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412129895 243161055 /nfs/dbraw/zinc/16/10/55/243161055.db2.gz NTFDRPXHWKDWIQ-JKSUJKDBSA-N 1 2 342.399 2.867 10 5 EFBELO COC(=O)c1cc(-c2cc(C)[nH+]c(C)c2)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000020352342 212121808 /nfs/dbraw/zinc/12/18/08/212121808.db2.gz NJPJWFVVKPHABE-UHFFFAOYSA-N 1 2 344.323 2.847 10 5 EFBELO CCc1nsc(N2CC[NH+]([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000076062532 203334322 /nfs/dbraw/zinc/33/43/22/203334322.db2.gz UQNRJJGMDFYBFZ-GFCCVEGCSA-N 1 2 347.444 2.892 10 5 EFBELO CC[C@H](NC(=O)[C@@H](C)[NH+]1CCSCC1)c1cccc([N+](=O)[O-])c1 ZINC000095446920 203744289 /nfs/dbraw/zinc/74/42/89/203744289.db2.gz GDCQFHWYQBBRNL-DOMZBBRYSA-N 1 2 337.445 2.599 10 5 EFBELO CN(c1cccnn1)C1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000105807172 204162054 /nfs/dbraw/zinc/16/20/54/204162054.db2.gz WTAMBARTUSIQBK-UHFFFAOYSA-N 1 2 333.417 2.547 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000125382059 205008273 /nfs/dbraw/zinc/00/82/73/205008273.db2.gz XQSFWJMCSAYSRF-LRDDRELGSA-N 1 2 328.372 2.823 10 5 EFBELO Cc1cc(N2[C@@H]3CC[C@H]2CC(O)C3)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000160813257 206313797 /nfs/dbraw/zinc/31/37/97/206313797.db2.gz UYFNRTGSARVNIN-XYPWUTKMSA-N 1 2 340.383 2.852 10 5 EFBELO O=[N+]([O-])c1cc(C[N@@H+]2C[C@@H](c3ccccc3)[C@](F)(CO)C2)cs1 ZINC000449432038 251024562 /nfs/dbraw/zinc/02/45/62/251024562.db2.gz ZWWZNXXEXYAFIH-GOEBONIOSA-N 1 2 336.388 2.956 10 5 EFBELO O=[N+]([O-])c1cc(C[N@H+]2C[C@@H](c3ccccc3)[C@](F)(CO)C2)cs1 ZINC000449432038 251024566 /nfs/dbraw/zinc/02/45/66/251024566.db2.gz ZWWZNXXEXYAFIH-GOEBONIOSA-N 1 2 336.388 2.956 10 5 EFBELO CC(C)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000450092844 251258075 /nfs/dbraw/zinc/25/80/75/251258075.db2.gz RZIKPGCNMZXULS-CQSZACIVSA-N 1 2 328.372 2.899 10 5 EFBELO O=[N+]([O-])c1cc(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)ccc1Cl ZINC000246783944 285086887 /nfs/dbraw/zinc/08/68/87/285086887.db2.gz QXDVGMHXAMEIMO-TZMCWYRMSA-N 1 2 328.821 2.955 10 5 EFBELO O=[N+]([O-])c1cc(C[N@H+]2CCS[C@@H]3COCC[C@H]32)ccc1Cl ZINC000246783944 285086888 /nfs/dbraw/zinc/08/68/88/285086888.db2.gz QXDVGMHXAMEIMO-TZMCWYRMSA-N 1 2 328.821 2.955 10 5 EFBELO COc1c(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c(C)nn1C ZINC000154262858 533414592 /nfs/dbraw/zinc/41/45/92/533414592.db2.gz YHAQUXCVJHCSFH-UHFFFAOYSA-N 1 2 330.388 2.810 10 5 EFBELO COc1c(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c(C)nn1C ZINC000154262858 533414596 /nfs/dbraw/zinc/41/45/96/533414596.db2.gz YHAQUXCVJHCSFH-UHFFFAOYSA-N 1 2 330.388 2.810 10 5 EFBELO C[NH+]1CCN(c2ncnc(Nc3cccc(Cl)c3)c2[N+](=O)[O-])CC1 ZINC000040610437 132404059 /nfs/dbraw/zinc/40/40/59/132404059.db2.gz QCGZIYKPMFRLIS-UHFFFAOYSA-N 1 2 348.794 2.534 10 5 EFBELO O=C(NC1CCN(c2cccc[nH+]2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000054794079 141353888 /nfs/dbraw/zinc/35/38/88/141353888.db2.gz LMLSXTZQZZTWEH-UHFFFAOYSA-N 1 2 344.346 2.528 10 5 EFBELO Cc1cc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc([N+](=O)[O-])c1 ZINC000121814633 141363489 /nfs/dbraw/zinc/36/34/89/141363489.db2.gz FUGCGKCRVXNCFC-UHFFFAOYSA-N 1 2 339.395 2.861 10 5 EFBELO Cc1ccn2cc(CNC(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)[nH+]c2c1 ZINC000338870747 141688416 /nfs/dbraw/zinc/68/84/16/141688416.db2.gz YKAVNIQSKZBARW-UHFFFAOYSA-N 1 2 349.350 2.962 10 5 EFBELO Cc1ccc([C@@H](CNC(=O)c2cc(O)ccc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000346293750 142184723 /nfs/dbraw/zinc/18/47/23/142184723.db2.gz YECVJRWLYYIMMH-QGZVFWFLSA-N 1 2 343.383 2.642 10 5 EFBELO O=C(NC1CCN(c2cccc[nH+]2)CC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344188636 145387668 /nfs/dbraw/zinc/38/76/68/145387668.db2.gz KJASBXOAQNJNOH-UHFFFAOYSA-N 1 2 344.346 2.528 10 5 EFBELO COc1cccc2c1[nH+]c(NCc1ccc([N+](=O)[O-])cc1C)n2C ZINC000349082591 146049638 /nfs/dbraw/zinc/04/96/38/146049638.db2.gz MITDMGHDOLLTRP-UHFFFAOYSA-N 1 2 326.356 2.833 10 5 EFBELO COc1cccc2c1[nH+]c(NCc1ccc([N+](=O)[O-])cc1F)n2C ZINC000349084056 146049902 /nfs/dbraw/zinc/04/99/02/146049902.db2.gz UBDBNWAZEOEQSP-UHFFFAOYSA-N 1 2 330.319 2.663 10 5 EFBELO Cc1cn2cc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)ccc2[nH+]1 ZINC000350730244 146084681 /nfs/dbraw/zinc/08/46/81/146084681.db2.gz RGKUTXRSNQRZPC-UHFFFAOYSA-N 1 2 346.368 2.660 10 5 EFBELO COc1ccc(OCCC[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)cc1 ZINC000353048311 146385293 /nfs/dbraw/zinc/38/52/93/146385293.db2.gz ULZAMCLRHAYVRQ-UHFFFAOYSA-N 1 2 343.383 2.826 10 5 EFBELO COc1ccc(OCCC[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)cc1 ZINC000353048311 146385295 /nfs/dbraw/zinc/38/52/95/146385295.db2.gz ULZAMCLRHAYVRQ-UHFFFAOYSA-N 1 2 343.383 2.826 10 5 EFBELO COc1ccc(NC(=O)NCc2[nH+]ccn2CC(C)C)cc1[N+](=O)[O-] ZINC000360395784 148351259 /nfs/dbraw/zinc/35/12/59/148351259.db2.gz PMDIUZYVNYAOPH-UHFFFAOYSA-N 1 2 347.375 2.778 10 5 EFBELO CCOc1ccc(NC(=O)C[N@@H+]2C[C@H]3CCCC[C@H]32)c([N+](=O)[O-])c1 ZINC000368091132 150033902 /nfs/dbraw/zinc/03/39/02/150033902.db2.gz VPCGJTGMYHALSG-IUODEOHRSA-N 1 2 333.388 2.806 10 5 EFBELO CCOc1ccc(NC(=O)C[N@H+]2C[C@H]3CCCC[C@H]32)c([N+](=O)[O-])c1 ZINC000368091132 150033904 /nfs/dbraw/zinc/03/39/04/150033904.db2.gz VPCGJTGMYHALSG-IUODEOHRSA-N 1 2 333.388 2.806 10 5 EFBELO CC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000368674527 150179235 /nfs/dbraw/zinc/17/92/35/150179235.db2.gz ACHUEVDASUVAJE-UHFFFAOYSA-N 1 2 337.339 2.990 10 5 EFBELO O=[N+]([O-])c1ccc2nc(NCc3ccnc(-n4cc[nH+]c4)c3)ccc2c1 ZINC000368675789 150179806 /nfs/dbraw/zinc/17/98/06/150179806.db2.gz NWCDKIHYCJWKOB-UHFFFAOYSA-N 1 2 346.350 2.758 10 5 EFBELO Cc1cc(F)cc([C@@]2(F)CC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000374323586 151322485 /nfs/dbraw/zinc/32/24/85/151322485.db2.gz IGIAWOXTUQQWKF-MRXNPFEDSA-N 1 2 336.342 2.810 10 5 EFBELO Cc1cc(F)cc([C@@]2(F)CC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000374323586 151322487 /nfs/dbraw/zinc/32/24/87/151322487.db2.gz IGIAWOXTUQQWKF-MRXNPFEDSA-N 1 2 336.342 2.810 10 5 EFBELO O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000378081576 152004882 /nfs/dbraw/zinc/00/48/82/152004882.db2.gz YYUJSVTZWIESED-UHFFFAOYSA-N 1 2 343.387 2.526 10 5 EFBELO O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378081576 152004884 /nfs/dbraw/zinc/00/48/84/152004884.db2.gz YYUJSVTZWIESED-UHFFFAOYSA-N 1 2 343.387 2.526 10 5 EFBELO Cc1nn(C)c(C)c1[C@H]1COCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000378391057 152073821 /nfs/dbraw/zinc/07/38/21/152073821.db2.gz QWSOQFKJGUHQEI-QGZVFWFLSA-N 1 2 344.415 2.561 10 5 EFBELO Cc1nn(C)c(C)c1[C@H]1COCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000378391057 152073824 /nfs/dbraw/zinc/07/38/24/152073824.db2.gz QWSOQFKJGUHQEI-QGZVFWFLSA-N 1 2 344.415 2.561 10 5 EFBELO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000408067548 152147790 /nfs/dbraw/zinc/14/77/90/152147790.db2.gz CYGUZDPVHSXKMI-MGPQQGTHSA-N 1 2 347.415 2.778 10 5 EFBELO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000122833545 222167077 /nfs/dbraw/zinc/16/70/77/222167077.db2.gz GCCDMJAMWANRDT-WBMJQRKESA-N 1 2 344.371 2.523 10 5 EFBELO CCC1(CC)C[N@H+](CCOc2cccc([N+](=O)[O-])c2)CC[S@@]1=O ZINC000185268388 265040542 /nfs/dbraw/zinc/04/05/42/265040542.db2.gz DDNQWFBBSSWAJW-QHCPKHFHSA-N 1 2 340.445 2.597 10 5 EFBELO CCC1(CC)C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CC[S@@]1=O ZINC000185268388 265040543 /nfs/dbraw/zinc/04/05/43/265040543.db2.gz DDNQWFBBSSWAJW-QHCPKHFHSA-N 1 2 340.445 2.597 10 5 EFBELO COc1c(C)c[nH+]c(CN(C)C(=O)c2cc([N+](=O)[O-])cnc2C)c1C ZINC000195000287 265398943 /nfs/dbraw/zinc/39/89/43/265398943.db2.gz VGMJBDOLDGOODK-UHFFFAOYSA-N 1 2 344.371 2.591 10 5 EFBELO C[C@@H](NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1ccccc1[N+](=O)[O-] ZINC000271670732 266037354 /nfs/dbraw/zinc/03/73/54/266037354.db2.gz MXFDNAYRFKMCMC-GFCCVEGCSA-N 1 2 343.387 2.968 10 5 EFBELO C[NH+](C)[C@H](CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)c1ccco1 ZINC000280669646 273353659 /nfs/dbraw/zinc/35/36/59/273353659.db2.gz CJDXAXNIYVTJCS-CYBMUJFWSA-N 1 2 343.343 2.551 10 5 EFBELO C[N@H+](CCCNC(=O)c1cccc(O)c1[N+](=O)[O-])Cc1ccccc1 ZINC000280713050 273358535 /nfs/dbraw/zinc/35/85/35/273358535.db2.gz GSJMQVGEHNIUSU-UHFFFAOYSA-N 1 2 343.383 2.552 10 5 EFBELO C[N@@H+](CCCNC(=O)c1cccc(O)c1[N+](=O)[O-])Cc1ccccc1 ZINC000280713050 273358536 /nfs/dbraw/zinc/35/85/36/273358536.db2.gz GSJMQVGEHNIUSU-UHFFFAOYSA-N 1 2 343.383 2.552 10 5 EFBELO CC[NH+](CC)[C@@H](CNC(=O)c1cccc(O)c1[N+](=O)[O-])c1ccco1 ZINC000280825159 273371076 /nfs/dbraw/zinc/37/10/76/273371076.db2.gz SCSTZMGNMJPUIV-ZDUSSCGKSA-N 1 2 347.371 2.706 10 5 EFBELO Cc1cc[nH+]cc1N1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000340104210 281489403 /nfs/dbraw/zinc/48/94/03/281489403.db2.gz ITJIAGVVSLZFGN-UHFFFAOYSA-N 1 2 330.363 2.760 10 5 EFBELO C[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C[C@@H]1CCCCO1 ZINC000126016474 293024697 /nfs/dbraw/zinc/02/46/97/293024697.db2.gz FMSZKEBEXTUKEO-AWEZNQCLSA-N 1 2 332.360 2.646 10 5 EFBELO C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C[C@@H]1CCCCO1 ZINC000126016474 293024701 /nfs/dbraw/zinc/02/47/01/293024701.db2.gz FMSZKEBEXTUKEO-AWEZNQCLSA-N 1 2 332.360 2.646 10 5 EFBELO C[C@@H]1CCC[C@H](C)N1C(=O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153249487 293367668 /nfs/dbraw/zinc/36/76/68/293367668.db2.gz DUUCRHPDYRYFLE-OKILXGFUSA-N 1 2 331.416 2.742 10 5 EFBELO C[C@@H]1CCC[C@H](C)N1C(=O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153249487 293367671 /nfs/dbraw/zinc/36/76/71/293367671.db2.gz DUUCRHPDYRYFLE-OKILXGFUSA-N 1 2 331.416 2.742 10 5 EFBELO C[C@@H](C(=O)NC1CCCCC1)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153294850 293369233 /nfs/dbraw/zinc/36/92/33/293369233.db2.gz DPQNOPUZOPTDEH-ZDUSSCGKSA-N 1 2 331.416 2.790 10 5 EFBELO C[C@@H](C(=O)NC1CCCCC1)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153294850 293369235 /nfs/dbraw/zinc/36/92/35/293369235.db2.gz DPQNOPUZOPTDEH-ZDUSSCGKSA-N 1 2 331.416 2.790 10 5 EFBELO CC[C@H]1CCCCN1C(=O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153397314 293373611 /nfs/dbraw/zinc/37/36/11/293373611.db2.gz DICXYVJGHKKYCY-HNNXBMFYSA-N 1 2 331.416 2.744 10 5 EFBELO CC[C@H]1CCCCN1C(=O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153397314 293373613 /nfs/dbraw/zinc/37/36/13/293373613.db2.gz DICXYVJGHKKYCY-HNNXBMFYSA-N 1 2 331.416 2.744 10 5 EFBELO CC[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)CCN1CC(F)F ZINC000153624060 293384570 /nfs/dbraw/zinc/38/45/70/293384570.db2.gz BVWPEYOTYVHSCG-ZDUSSCGKSA-N 1 2 343.374 2.765 10 5 EFBELO CC[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)CCN1CC(F)F ZINC000153624060 293384573 /nfs/dbraw/zinc/38/45/73/293384573.db2.gz BVWPEYOTYVHSCG-ZDUSSCGKSA-N 1 2 343.374 2.765 10 5 EFBELO Cn1cc[nH+]c1[C@H]1N(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1(C)C ZINC000296374025 295466298 /nfs/dbraw/zinc/46/62/98/295466298.db2.gz SWWLRAWSYLWZHO-CYBMUJFWSA-N 1 2 326.360 2.792 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000299670448 311109490 /nfs/dbraw/zinc/10/94/90/311109490.db2.gz SLPDVEIUQITYBB-UHFFFAOYSA-N 1 2 340.383 2.828 10 5 EFBELO Cc1cc([NH+]2CCCC2)ccc1Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000301083588 311118115 /nfs/dbraw/zinc/11/81/15/311118115.db2.gz JSVMYFDTDCUAQD-UHFFFAOYSA-N 1 2 341.371 2.741 10 5 EFBELO COC(=O)[C@H](C)CNc1cc(C)[nH+]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301259034 311127586 /nfs/dbraw/zinc/12/75/86/311127586.db2.gz UNHZCVHSXTYMEZ-SNVBAGLBSA-N 1 2 330.344 2.581 10 5 EFBELO Cc1cc(NCC[C@H](C)[S@@](C)=O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301690485 311152455 /nfs/dbraw/zinc/15/24/55/311152455.db2.gz KAQLXXASNJFJKR-FNODVLLQSA-N 1 2 348.428 2.929 10 5 EFBELO Cc1cc(N[C@@](C)(CO)C2CC2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000301689608 311152633 /nfs/dbraw/zinc/15/26/33/311152633.db2.gz WXDUPZXWPCSLGH-KRWDZBQOSA-N 1 2 328.372 2.933 10 5 EFBELO COc1cc(F)c([N+](=O)[O-])c(N[C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000301756970 311156829 /nfs/dbraw/zinc/15/68/29/311156829.db2.gz AJBWEMQRRVQVTA-NSHDSACASA-N 1 2 332.335 2.828 10 5 EFBELO Cc1cc(N2CC[C@@H](C)[C@@H](O)C2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000301959247 311168849 /nfs/dbraw/zinc/16/88/49/311168849.db2.gz OWTKZJFTIJTYOW-ABAIWWIYSA-N 1 2 328.372 2.567 10 5 EFBELO C[C@H](O)C[N@@H+]1CCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000302049033 311174610 /nfs/dbraw/zinc/17/46/10/311174610.db2.gz WMRZJLBWFGQVLX-ZJUUUORDSA-N 1 2 348.230 2.793 10 5 EFBELO C[C@H](O)C[N@H+]1CCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000302049033 311174611 /nfs/dbraw/zinc/17/46/11/311174611.db2.gz WMRZJLBWFGQVLX-ZJUUUORDSA-N 1 2 348.230 2.793 10 5 EFBELO CC[C@@H]1C[C@H](Nc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CCO1 ZINC000420640669 312377767 /nfs/dbraw/zinc/37/77/67/312377767.db2.gz RDHFMMAYJMTCOV-HZPDHXFCSA-N 1 2 349.431 2.797 10 5 EFBELO C[C@@](CO)([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1cccc(O)c1 ZINC000451043238 312804634 /nfs/dbraw/zinc/80/46/34/312804634.db2.gz SCLDRCLDSMAINU-INIZCTEOSA-N 1 2 336.775 2.951 10 5 EFBELO O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000505875814 315467699 /nfs/dbraw/zinc/46/76/99/315467699.db2.gz BOWDPVRCZVZIEZ-UHFFFAOYSA-N 1 2 331.347 2.762 10 5 EFBELO CC[N@H+](C)[C@H](C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000183903902 323350548 /nfs/dbraw/zinc/35/05/48/323350548.db2.gz ZWDFLBNJEROTGS-INIZCTEOSA-N 1 2 329.356 2.932 10 5 EFBELO CC[N@@H+](C)[C@H](C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000183903902 323350552 /nfs/dbraw/zinc/35/05/52/323350552.db2.gz ZWDFLBNJEROTGS-INIZCTEOSA-N 1 2 329.356 2.932 10 5 EFBELO Cc1csc([C@@H](C)[NH2+][C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)n1 ZINC000184242333 323360788 /nfs/dbraw/zinc/36/07/88/323360788.db2.gz JAROYSFIWRDGKC-RISCZKNCSA-N 1 2 346.412 2.816 10 5 EFBELO Cc1csc([C@@H](C)[NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000184278061 323361256 /nfs/dbraw/zinc/36/12/56/323361256.db2.gz NWCTWVQTEXIWEJ-LLVKDONJSA-N 1 2 334.401 2.673 10 5 EFBELO CCn1cc[nH+]c1CNC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000296515197 323538090 /nfs/dbraw/zinc/53/80/90/323538090.db2.gz OVJFPNXDJHYPOZ-LBPRGKRZSA-N 1 2 331.376 2.680 10 5 EFBELO CC[C@H](NC(=O)[C@H](C)[NH+]1CCSCC1)c1cccc([N+](=O)[O-])c1 ZINC000095446921 473206231 /nfs/dbraw/zinc/20/62/31/473206231.db2.gz GDCQFHWYQBBRNL-WFASDCNBSA-N 1 2 337.445 2.599 10 5 EFBELO Cc1cc(NCCNC(=O)c2csc([N+](=O)[O-])c2)nc(C(C)C)[nH+]1 ZINC000600363903 468540565 /nfs/dbraw/zinc/54/05/65/468540565.db2.gz CXUUFHNMKMBEKY-UHFFFAOYSA-N 1 2 349.416 2.720 10 5 EFBELO COCc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000125232317 473378691 /nfs/dbraw/zinc/37/86/91/473378691.db2.gz FJQHDCRLGADJNT-GXTWGEPZSA-N 1 2 345.403 2.827 10 5 EFBELO CCc1cc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)no1 ZINC000610076001 469978660 /nfs/dbraw/zinc/97/86/60/469978660.db2.gz XAPKLTCFMGTDRF-UHFFFAOYSA-N 1 2 327.300 2.583 10 5 EFBELO CC1(C)SC[C@@H]1Nc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000338423402 475890017 /nfs/dbraw/zinc/89/00/17/475890017.db2.gz NLDFCVFYVXOXSO-HNNXBMFYSA-N 1 2 337.445 2.733 10 5 EFBELO Cc1ccc(NC(=O)C[N@@H+]2CCc3sccc3C2)cc1[N+](=O)[O-] ZINC000008763058 471704993 /nfs/dbraw/zinc/70/49/93/471704993.db2.gz KAUZUCMRTQYKIN-UHFFFAOYSA-N 1 2 331.397 2.962 10 5 EFBELO Cc1ccc(NC(=O)C[N@H+]2CCc3sccc3C2)cc1[N+](=O)[O-] ZINC000008763058 471704998 /nfs/dbraw/zinc/70/49/98/471704998.db2.gz KAUZUCMRTQYKIN-UHFFFAOYSA-N 1 2 331.397 2.962 10 5 EFBELO CN(C)c1cc(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc[nH+]1 ZINC000040512576 472035782 /nfs/dbraw/zinc/03/57/82/472035782.db2.gz KFRKUEZMKGLCQO-UHFFFAOYSA-N 1 2 334.763 2.639 10 5 EFBELO COc1cccc(N2CC[NH+](Cc3csc([N+](=O)[O-])c3)CC2)c1 ZINC000054152778 472063295 /nfs/dbraw/zinc/06/32/95/472063295.db2.gz AYFQMIFWYOFDRC-UHFFFAOYSA-N 1 2 333.413 2.987 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(OCC(C)C)CC1 ZINC000054323397 472076432 /nfs/dbraw/zinc/07/64/32/472076432.db2.gz WPUGBRVLSYLEFU-UHFFFAOYSA-N 1 2 349.431 2.979 10 5 EFBELO Cc1c(CNC(=O)Nc2ccc3[nH+]ccn3c2)cccc1[N+](=O)[O-] ZINC000616786179 479977135 /nfs/dbraw/zinc/97/71/35/479977135.db2.gz NHGXMCGSPIKCOI-UHFFFAOYSA-N 1 2 325.328 2.873 10 5 EFBELO COc1cc(C[N@@H+]2CCC[C@H](OC(F)F)C2)c([N+](=O)[O-])cc1F ZINC000613384318 479982633 /nfs/dbraw/zinc/98/26/33/479982633.db2.gz WZFRKKDFPYSOIF-JTQLQIEISA-N 1 2 334.294 2.946 10 5 EFBELO COc1cc(C[N@H+]2CCC[C@H](OC(F)F)C2)c([N+](=O)[O-])cc1F ZINC000613384318 479982637 /nfs/dbraw/zinc/98/26/37/479982637.db2.gz WZFRKKDFPYSOIF-JTQLQIEISA-N 1 2 334.294 2.946 10 5 EFBELO CCc1nc(C2([NH2+]C[C@@H](O)c3cccc([N+](=O)[O-])c3)CCCC2)no1 ZINC000154379569 472424817 /nfs/dbraw/zinc/42/48/17/472424817.db2.gz LMIZJIMCPKXMEE-CQSZACIVSA-N 1 2 346.387 2.633 10 5 EFBELO CN(C)c1[nH+]cccc1CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000032686757 472454079 /nfs/dbraw/zinc/45/40/79/472454079.db2.gz NMLGCKUBMRBIOI-UHFFFAOYSA-N 1 2 334.763 2.639 10 5 EFBELO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000129200947 472529238 /nfs/dbraw/zinc/52/92/38/472529238.db2.gz ZNKKUNZJDJLGSD-UHFFFAOYSA-N 1 2 341.371 2.734 10 5 EFBELO C[C@H](CNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1)[NH+]1CCOCC1 ZINC000090070495 472589410 /nfs/dbraw/zinc/58/94/10/472589410.db2.gz QOBOXKYHMXQHMC-CQSZACIVSA-N 1 2 342.399 2.789 10 5 EFBELO O=[N+]([O-])c1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cs1 ZINC000047264405 472680429 /nfs/dbraw/zinc/68/04/29/472680429.db2.gz HRHABRZFNIWULN-UHFFFAOYSA-N 1 2 348.384 2.887 10 5 EFBELO CCC(=O)N[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000104680539 472681714 /nfs/dbraw/zinc/68/17/14/472681714.db2.gz XECLQTNIBXQEOE-OAHLLOKOSA-N 1 2 349.431 2.873 10 5 EFBELO CCC(=O)N[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000104680539 472681718 /nfs/dbraw/zinc/68/17/18/472681718.db2.gz XECLQTNIBXQEOE-OAHLLOKOSA-N 1 2 349.431 2.873 10 5 EFBELO Cc1ccc(C[N@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)o1 ZINC000078621945 472743210 /nfs/dbraw/zinc/74/32/10/472743210.db2.gz DQTGBEBKCGQDPA-UHFFFAOYSA-N 1 2 329.356 2.517 10 5 EFBELO Cc1ccc(C[N@@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)o1 ZINC000078621945 472743215 /nfs/dbraw/zinc/74/32/15/472743215.db2.gz DQTGBEBKCGQDPA-UHFFFAOYSA-N 1 2 329.356 2.517 10 5 EFBELO COc1cccc([C@H](Nc2ccc([N+](=O)[O-])nc2)c2[nH+]ccn2C)c1 ZINC000073050253 472765354 /nfs/dbraw/zinc/76/53/54/472765354.db2.gz JPEVPNWNCKTYLF-INIZCTEOSA-N 1 2 339.355 2.933 10 5 EFBELO CC[C@@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)c1cccc([N+](=O)[O-])c1 ZINC000133165843 472778515 /nfs/dbraw/zinc/77/85/15/472778515.db2.gz UDDRMSICQOEGGV-CZUORRHYSA-N 1 2 328.372 2.621 10 5 EFBELO CN(c1cccnn1)C1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000105807521 472779973 /nfs/dbraw/zinc/77/99/73/472779973.db2.gz SPGAWOJZROSBCE-UHFFFAOYSA-N 1 2 345.378 2.625 10 5 EFBELO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCO[C@H]4CCCC[C@@H]43)n2)c1 ZINC000048249635 472840076 /nfs/dbraw/zinc/84/00/76/472840076.db2.gz BJLCAZZXSGCWOB-GJZGRUSLSA-N 1 2 344.371 2.788 10 5 EFBELO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCO[C@H]4CCCC[C@@H]43)n2)c1 ZINC000048249635 472840080 /nfs/dbraw/zinc/84/00/80/472840080.db2.gz BJLCAZZXSGCWOB-GJZGRUSLSA-N 1 2 344.371 2.788 10 5 EFBELO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCO[C@@H]4CCCC[C@@H]43)n2)c1 ZINC000048249639 472840172 /nfs/dbraw/zinc/84/01/72/472840172.db2.gz BJLCAZZXSGCWOB-LSDHHAIUSA-N 1 2 344.371 2.788 10 5 EFBELO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCO[C@@H]4CCCC[C@@H]43)n2)c1 ZINC000048249639 472840177 /nfs/dbraw/zinc/84/01/77/472840177.db2.gz BJLCAZZXSGCWOB-LSDHHAIUSA-N 1 2 344.371 2.788 10 5 EFBELO CN(C)c1[nH+]cccc1N(C)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000079740254 472916618 /nfs/dbraw/zinc/91/66/18/472916618.db2.gz BRIVRWMSHUXJLH-UHFFFAOYSA-N 1 2 343.387 2.521 10 5 EFBELO Cc1cc(N2CC[C@H](C)[C@H](O)C2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000092977433 473015123 /nfs/dbraw/zinc/01/51/23/473015123.db2.gz OWTKZJFTIJTYOW-XHDPSFHLSA-N 1 2 328.372 2.567 10 5 EFBELO Cc1cc(N2CC[C@@H](C)[C@H](O)C2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000092977434 473015413 /nfs/dbraw/zinc/01/54/13/473015413.db2.gz OWTKZJFTIJTYOW-IAQYHMDHSA-N 1 2 328.372 2.567 10 5 EFBELO O=[N+]([O-])c1cc(C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)c2c(c1)COCO2 ZINC000051995993 473077566 /nfs/dbraw/zinc/07/75/66/473077566.db2.gz KPGNJRASZDWHGY-JKSUJKDBSA-N 1 2 334.372 2.605 10 5 EFBELO O=[N+]([O-])c1cc(C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)c2c(c1)COCO2 ZINC000051995993 473077569 /nfs/dbraw/zinc/07/75/69/473077569.db2.gz KPGNJRASZDWHGY-JKSUJKDBSA-N 1 2 334.372 2.605 10 5 EFBELO COC(=O)[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000123270652 473119466 /nfs/dbraw/zinc/11/94/66/473119466.db2.gz IJVXSNAJHMMLQH-SNVBAGLBSA-N 1 2 344.314 2.581 10 5 EFBELO COC(=O)[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000123270652 473119469 /nfs/dbraw/zinc/11/94/69/473119469.db2.gz IJVXSNAJHMMLQH-SNVBAGLBSA-N 1 2 344.314 2.581 10 5 EFBELO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(C)o2)c([N+](=O)[O-])c1 ZINC000052712156 473140699 /nfs/dbraw/zinc/14/06/99/473140699.db2.gz VCGMWMDYMQTEAA-GFCCVEGCSA-N 1 2 347.371 2.964 10 5 EFBELO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(C)o2)c([N+](=O)[O-])c1 ZINC000052712156 473140705 /nfs/dbraw/zinc/14/07/05/473140705.db2.gz VCGMWMDYMQTEAA-GFCCVEGCSA-N 1 2 347.371 2.964 10 5 EFBELO CC(C)c1nc([C@@H]2CCC[N@@H+]2C[C@H](O)c2cccc([N+](=O)[O-])c2)no1 ZINC000137017216 473190934 /nfs/dbraw/zinc/19/09/34/473190934.db2.gz BHBRBUQZXZMAQN-GJZGRUSLSA-N 1 2 346.387 2.972 10 5 EFBELO CC(C)c1nc([C@@H]2CCC[N@H+]2C[C@H](O)c2cccc([N+](=O)[O-])c2)no1 ZINC000137017216 473190941 /nfs/dbraw/zinc/19/09/41/473190941.db2.gz BHBRBUQZXZMAQN-GJZGRUSLSA-N 1 2 346.387 2.972 10 5 EFBELO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000114484762 473474134 /nfs/dbraw/zinc/47/41/34/473474134.db2.gz POWYWBRJSLJLHV-MRXNPFEDSA-N 1 2 343.387 2.792 10 5 EFBELO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000114484762 473474136 /nfs/dbraw/zinc/47/41/36/473474136.db2.gz POWYWBRJSLJLHV-MRXNPFEDSA-N 1 2 343.387 2.792 10 5 EFBELO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000114484764 473474542 /nfs/dbraw/zinc/47/45/42/473474542.db2.gz POWYWBRJSLJLHV-INIZCTEOSA-N 1 2 343.387 2.792 10 5 EFBELO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000114484764 473474545 /nfs/dbraw/zinc/47/45/45/473474545.db2.gz POWYWBRJSLJLHV-INIZCTEOSA-N 1 2 343.387 2.792 10 5 EFBELO Cc1nc(C[N@@H+]2CCCN(c3ncc([N+](=O)[O-])s3)CC2)cs1 ZINC000192451425 473681965 /nfs/dbraw/zinc/68/19/65/473681965.db2.gz XZZOMQPRULQOGP-UHFFFAOYSA-N 1 2 339.446 2.529 10 5 EFBELO Cc1nc(C[N@H+]2CCCN(c3ncc([N+](=O)[O-])s3)CC2)cs1 ZINC000192451425 473681967 /nfs/dbraw/zinc/68/19/67/473681967.db2.gz XZZOMQPRULQOGP-UHFFFAOYSA-N 1 2 339.446 2.529 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000173398136 473825878 /nfs/dbraw/zinc/82/58/78/473825878.db2.gz NKWMCSCXWLWCPF-MRXNPFEDSA-N 1 2 343.387 2.792 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000173398136 473825886 /nfs/dbraw/zinc/82/58/86/473825886.db2.gz NKWMCSCXWLWCPF-MRXNPFEDSA-N 1 2 343.387 2.792 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000173398147 473826532 /nfs/dbraw/zinc/82/65/32/473826532.db2.gz NKWMCSCXWLWCPF-INIZCTEOSA-N 1 2 343.387 2.792 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000173398147 473826541 /nfs/dbraw/zinc/82/65/41/473826541.db2.gz NKWMCSCXWLWCPF-INIZCTEOSA-N 1 2 343.387 2.792 10 5 EFBELO C[C@H](NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000263752193 473834345 /nfs/dbraw/zinc/83/43/45/473834345.db2.gz FPUKTQBVFJBWQU-LBPRGKRZSA-N 1 2 343.387 2.968 10 5 EFBELO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000194839689 473961417 /nfs/dbraw/zinc/96/14/17/473961417.db2.gz CJPYPHSANFLJBX-WFASDCNBSA-N 1 2 328.372 2.823 10 5 EFBELO Cc1noc(C)c1C[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000183285249 474367334 /nfs/dbraw/zinc/36/73/34/474367334.db2.gz DJCNEEIRNOJWAB-UHFFFAOYSA-N 1 2 344.415 2.826 10 5 EFBELO Cc1noc(C)c1CN1CC[NH+](Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000183285249 474367341 /nfs/dbraw/zinc/36/73/41/474367341.db2.gz DJCNEEIRNOJWAB-UHFFFAOYSA-N 1 2 344.415 2.826 10 5 EFBELO O=C1C[C@H](c2ccccc2)[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CCN1 ZINC000276320467 474494880 /nfs/dbraw/zinc/49/48/80/474494880.db2.gz OOSAWZYDOODJJL-QGZVFWFLSA-N 1 2 343.358 2.797 10 5 EFBELO O=C1C[C@H](c2ccccc2)[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CCN1 ZINC000276320467 474494884 /nfs/dbraw/zinc/49/48/84/474494884.db2.gz OOSAWZYDOODJJL-QGZVFWFLSA-N 1 2 343.358 2.797 10 5 EFBELO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609131024 480115412 /nfs/dbraw/zinc/11/54/12/480115412.db2.gz GMRJWOOVQNGHBL-LBPRGKRZSA-N 1 2 334.763 2.922 10 5 EFBELO O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CC[NH+](C2CC2)CC1 ZINC000291544496 474615276 /nfs/dbraw/zinc/61/52/76/474615276.db2.gz PJRLRNFMYRKASP-UHFFFAOYSA-N 1 2 344.198 2.822 10 5 EFBELO Cc1ccc2[nH+]c(CNC(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)cn2c1 ZINC000338889652 474705577 /nfs/dbraw/zinc/70/55/77/474705577.db2.gz ICRREPSYHHDWEA-UHFFFAOYSA-N 1 2 349.350 2.962 10 5 EFBELO COc1ncc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c(C)n1 ZINC000337195053 474773022 /nfs/dbraw/zinc/77/30/22/474773022.db2.gz WPEYHMURXIUINN-UHFFFAOYSA-N 1 2 328.372 2.866 10 5 EFBELO COc1ncc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c(C)n1 ZINC000337195053 474773029 /nfs/dbraw/zinc/77/30/29/474773029.db2.gz WPEYHMURXIUINN-UHFFFAOYSA-N 1 2 328.372 2.866 10 5 EFBELO C[C@@H]([NH2+][C@@H](C)c1nnnn1-c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000340918213 474776671 /nfs/dbraw/zinc/77/66/71/474776671.db2.gz LVAIMSFASBRTEH-OLZOCXBDSA-N 1 2 338.371 2.982 10 5 EFBELO O=[N+]([O-])c1ccc(O)cc1C[N@H+](C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC000339054156 474885534 /nfs/dbraw/zinc/88/55/34/474885534.db2.gz NZIZNZXZEGXUHW-HIFRSBDPSA-N 1 2 338.429 2.787 10 5 EFBELO O=[N+]([O-])c1ccc(O)cc1C[N@@H+](C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC000339054156 474885540 /nfs/dbraw/zinc/88/55/40/474885540.db2.gz NZIZNZXZEGXUHW-HIFRSBDPSA-N 1 2 338.429 2.787 10 5 EFBELO C[C@@H]1[C@@H](C)C[N@@H+]1CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000293305121 474917055 /nfs/dbraw/zinc/91/70/55/474917055.db2.gz FCSHJOPFFQWQGW-WDEREUQCSA-N 1 2 346.412 2.997 10 5 EFBELO C[C@@H]1[C@@H](C)C[N@H+]1CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000293305121 474917061 /nfs/dbraw/zinc/91/70/61/474917061.db2.gz FCSHJOPFFQWQGW-WDEREUQCSA-N 1 2 346.412 2.997 10 5 EFBELO C[C@@H]1C[N@H+](CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)[C@H]1C ZINC000293305108 474917962 /nfs/dbraw/zinc/91/79/62/474917962.db2.gz FCSHJOPFFQWQGW-MNOVXSKESA-N 1 2 346.412 2.997 10 5 EFBELO C[C@@H]1C[N@@H+](CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)[C@H]1C ZINC000293305108 474917969 /nfs/dbraw/zinc/91/79/69/474917969.db2.gz FCSHJOPFFQWQGW-MNOVXSKESA-N 1 2 346.412 2.997 10 5 EFBELO O=[N+]([O-])c1ccc(C[N@@H+]2CCO[C@]3(CCCOC3)C2)c(Cl)c1 ZINC000285328758 474974583 /nfs/dbraw/zinc/97/45/83/474974583.db2.gz NRVSSXDOUZFCMV-OAHLLOKOSA-N 1 2 326.780 2.630 10 5 EFBELO O=[N+]([O-])c1ccc(C[N@H+]2CCO[C@]3(CCCOC3)C2)c(Cl)c1 ZINC000285328758 474974589 /nfs/dbraw/zinc/97/45/89/474974589.db2.gz NRVSSXDOUZFCMV-OAHLLOKOSA-N 1 2 326.780 2.630 10 5 EFBELO C[C@H]1C[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC(=O)N1C ZINC000337542060 475110335 /nfs/dbraw/zinc/11/03/35/475110335.db2.gz LMOMRFAZYIOZIR-LBPRGKRZSA-N 1 2 329.356 2.517 10 5 EFBELO C[C@H]1C[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC(=O)N1C ZINC000337542060 475110344 /nfs/dbraw/zinc/11/03/44/475110344.db2.gz LMOMRFAZYIOZIR-LBPRGKRZSA-N 1 2 329.356 2.517 10 5 EFBELO C[NH+](C)CCc1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000352429015 475286552 /nfs/dbraw/zinc/28/65/52/475286552.db2.gz VOUCRCOJJIOUJG-UHFFFAOYSA-N 1 2 329.356 2.657 10 5 EFBELO CC(C)(C)c1ccc(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)cc1[N+](=O)[O-] ZINC000361278310 475322812 /nfs/dbraw/zinc/32/28/12/475322812.db2.gz LHWRIAYPCCXFBI-LBPRGKRZSA-N 1 2 342.399 2.903 10 5 EFBELO CC(C)(C)c1ccc(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)cc1[N+](=O)[O-] ZINC000361278310 475322819 /nfs/dbraw/zinc/32/28/19/475322819.db2.gz LHWRIAYPCCXFBI-LBPRGKRZSA-N 1 2 342.399 2.903 10 5 EFBELO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000348228317 475504380 /nfs/dbraw/zinc/50/43/80/475504380.db2.gz KKDOVFOHOHTXEG-ZJUUUORDSA-N 1 2 331.294 2.806 10 5 EFBELO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000348228317 475504387 /nfs/dbraw/zinc/50/43/87/475504387.db2.gz KKDOVFOHOHTXEG-ZJUUUORDSA-N 1 2 331.294 2.806 10 5 EFBELO Cc1nc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cs1 ZINC000338135315 475615258 /nfs/dbraw/zinc/61/52/58/475615258.db2.gz RETJIGVHQZOBQB-UHFFFAOYSA-N 1 2 329.341 2.798 10 5 EFBELO O=[N+]([O-])c1ccc(C[N@@H+]2CCO[C@H](COc3ccccc3)C2)cc1 ZINC000361657611 475637932 /nfs/dbraw/zinc/63/79/32/475637932.db2.gz CXUCYGUNJVMGIE-SFHVURJKSA-N 1 2 328.368 2.875 10 5 EFBELO O=[N+]([O-])c1ccc(C[N@H+]2CCO[C@H](COc3ccccc3)C2)cc1 ZINC000361657611 475637935 /nfs/dbraw/zinc/63/79/35/475637935.db2.gz CXUCYGUNJVMGIE-SFHVURJKSA-N 1 2 328.368 2.875 10 5 EFBELO CC(=O)c1cc(N2CCN(c3c[nH+]ccc3C)CC2)ccc1[N+](=O)[O-] ZINC000343061048 475731622 /nfs/dbraw/zinc/73/16/22/475731622.db2.gz CJNGTMKWEVTORR-UHFFFAOYSA-N 1 2 340.383 2.827 10 5 EFBELO CC[N@H+](CC(=O)N1CCCCCC1)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000353200025 475764159 /nfs/dbraw/zinc/76/41/59/475764159.db2.gz HUJHLAREDUGYLU-UHFFFAOYSA-N 1 2 349.431 2.828 10 5 EFBELO CC[N@@H+](CC(=O)N1CCCCCC1)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000353200025 475764165 /nfs/dbraw/zinc/76/41/65/475764165.db2.gz HUJHLAREDUGYLU-UHFFFAOYSA-N 1 2 349.431 2.828 10 5 EFBELO CCn1cc[nH+]c1CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000298169051 476005570 /nfs/dbraw/zinc/00/55/70/476005570.db2.gz QMQFOPROYZFGOP-UHFFFAOYSA-N 1 2 331.376 2.546 10 5 EFBELO COc1c(C(=O)Nc2ccc3[nH+]c(C)cn3c2)cccc1[N+](=O)[O-] ZINC000355542595 476018662 /nfs/dbraw/zinc/01/86/62/476018662.db2.gz KJNGAODTYNAAIR-UHFFFAOYSA-N 1 2 326.312 2.812 10 5 EFBELO C[C@@]12CC[N@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C[C@@H]1C2(F)F ZINC000298427394 476088949 /nfs/dbraw/zinc/08/89/49/476088949.db2.gz YDOJYBJRANBELD-GXTWGEPZSA-N 1 2 325.315 2.510 10 5 EFBELO C[C@@]12CC[N@@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C[C@@H]1C2(F)F ZINC000298427394 476088952 /nfs/dbraw/zinc/08/89/52/476088952.db2.gz YDOJYBJRANBELD-GXTWGEPZSA-N 1 2 325.315 2.510 10 5 EFBELO Cn1c[nH+]cc1Cc1noc(C(C)(C)c2ccccc2[N+](=O)[O-])n1 ZINC000350521646 476230276 /nfs/dbraw/zinc/23/02/76/476230276.db2.gz BKXSXZFEIOYQGC-UHFFFAOYSA-N 1 2 327.344 2.628 10 5 EFBELO CC(C)Cn1cc[nH+]c1CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000357273789 476311785 /nfs/dbraw/zinc/31/17/85/476311785.db2.gz AJIIOQPQWSDIDE-UHFFFAOYSA-N 1 2 341.371 2.859 10 5 EFBELO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ncc(Br)cn1 ZINC000353895600 476316337 /nfs/dbraw/zinc/31/63/37/476316337.db2.gz CRCPENSHWPWYNO-SECBINFHSA-N 1 2 337.177 2.998 10 5 EFBELO Cc1cc(CC[NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)on1 ZINC000353978462 476344730 /nfs/dbraw/zinc/34/47/30/476344730.db2.gz LGOAJXVDARSOHK-INIZCTEOSA-N 1 2 341.371 2.546 10 5 EFBELO CCOc1ccc(C(=O)Nc2cccc3[nH+]ccn32)cc1[N+](=O)[O-] ZINC000357433946 476380197 /nfs/dbraw/zinc/38/01/97/476380197.db2.gz DPIGNLICYWWWPL-UHFFFAOYSA-N 1 2 326.312 2.894 10 5 EFBELO O=[N+]([O-])c1ccc(-c2noc(Cc3cn4c([nH+]3)CCCC4)n2)cc1 ZINC000351460279 476467378 /nfs/dbraw/zinc/46/73/78/476467378.db2.gz YOXQBTJOTYBTDS-UHFFFAOYSA-N 1 2 325.328 2.768 10 5 EFBELO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000377748130 476559052 /nfs/dbraw/zinc/55/90/52/476559052.db2.gz STLCPAVIETWFJJ-NSHDSACASA-N 1 2 329.360 2.614 10 5 EFBELO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000377748130 476559056 /nfs/dbraw/zinc/55/90/56/476559056.db2.gz STLCPAVIETWFJJ-NSHDSACASA-N 1 2 329.360 2.614 10 5 EFBELO COc1cccc(NCc2cccnc2-n2cc[nH+]c2)c1[N+](=O)[O-] ZINC000378062008 476681825 /nfs/dbraw/zinc/68/18/25/476681825.db2.gz UAYGRTCVAOUNIB-UHFFFAOYSA-N 1 2 325.328 2.796 10 5 EFBELO Cc1cc(N2CCO[C@@H](C3CC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000375332704 476784735 /nfs/dbraw/zinc/78/47/35/476784735.db2.gz NDEMMCQUFMJMHZ-MRXNPFEDSA-N 1 2 340.383 2.975 10 5 EFBELO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@]2(CCO[C@H](C)C2)O1 ZINC000430280442 476800819 /nfs/dbraw/zinc/80/08/19/476800819.db2.gz PKSLRMBVGFNWIW-PBFPGSCMSA-N 1 2 338.379 2.892 10 5 EFBELO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@]2(CCO[C@H](C)C2)O1 ZINC000430280442 476800825 /nfs/dbraw/zinc/80/08/25/476800825.db2.gz PKSLRMBVGFNWIW-PBFPGSCMSA-N 1 2 338.379 2.892 10 5 EFBELO O=[N+]([O-])c1ccc(OCc2c[nH+]cn2Cc2ccccc2)cc1CO ZINC000431861432 477111891 /nfs/dbraw/zinc/11/18/91/477111891.db2.gz LNBDECWWDACKHL-UHFFFAOYSA-N 1 2 339.351 2.911 10 5 EFBELO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000376194535 477221351 /nfs/dbraw/zinc/22/13/51/477221351.db2.gz IVRUNLFHDMIJPH-UHFFFAOYSA-N 1 2 345.359 2.738 10 5 EFBELO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000376194535 477221357 /nfs/dbraw/zinc/22/13/57/477221357.db2.gz IVRUNLFHDMIJPH-UHFFFAOYSA-N 1 2 345.359 2.738 10 5 EFBELO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000371356178 477262059 /nfs/dbraw/zinc/26/20/59/477262059.db2.gz VYXCWCOTTXHHDH-SNVBAGLBSA-N 1 2 346.412 2.717 10 5 EFBELO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000371356178 477262064 /nfs/dbraw/zinc/26/20/64/477262064.db2.gz VYXCWCOTTXHHDH-SNVBAGLBSA-N 1 2 346.412 2.717 10 5 EFBELO CCc1cc(N[C@H]2CCOC[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000432867437 477281906 /nfs/dbraw/zinc/28/19/06/477281906.db2.gz VXBMLOCSCVQNSL-LRDDRELGSA-N 1 2 342.399 2.873 10 5 EFBELO CCn1cc[nH+]c1[C@H](C)NC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000454765296 477367211 /nfs/dbraw/zinc/36/72/11/477367211.db2.gz QFOYLCPKUHLRIJ-NEPJUHHUSA-N 1 2 331.376 2.933 10 5 EFBELO C[C@H](NC(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21)c1ccccc1[N+](=O)[O-] ZINC000454779108 477374222 /nfs/dbraw/zinc/37/42/22/477374222.db2.gz ZXTWJUIMOPXNCF-NTZNESFSSA-N 1 2 329.360 2.858 10 5 EFBELO CC1=C[C@@H](C)CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000436001241 477404472 /nfs/dbraw/zinc/40/44/72/477404472.db2.gz BCLDORCJTRLQDY-GFCCVEGCSA-N 1 2 326.356 2.819 10 5 EFBELO COC(=O)[C@H]1CSCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000412062848 477407030 /nfs/dbraw/zinc/40/70/30/477407030.db2.gz BSSWSBKQJLNRFB-LLVKDONJSA-N 1 2 344.820 2.586 10 5 EFBELO COC(=O)[C@H]1CSCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000412062848 477407039 /nfs/dbraw/zinc/40/70/39/477407039.db2.gz BSSWSBKQJLNRFB-LLVKDONJSA-N 1 2 344.820 2.586 10 5 EFBELO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCc1ccccc1[N+](=O)[O-])C2 ZINC000376622227 477433009 /nfs/dbraw/zinc/43/30/09/477433009.db2.gz INPBFFCQEPUZCX-LBPRGKRZSA-N 1 2 342.399 2.863 10 5 EFBELO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCc1ccccc1[N+](=O)[O-])CC2 ZINC000376622227 477433016 /nfs/dbraw/zinc/43/30/16/477433016.db2.gz INPBFFCQEPUZCX-LBPRGKRZSA-N 1 2 342.399 2.863 10 5 EFBELO Cc1cn2c([nH+]1)CN(c1ccc(Br)cc1[N+](=O)[O-])CC2 ZINC000371708310 477457274 /nfs/dbraw/zinc/45/72/74/477457274.db2.gz RWSMXCOZFNJXRA-UHFFFAOYSA-N 1 2 337.177 2.882 10 5 EFBELO CCn1c2ccc(F)cc2[nH+]c1Cn1c(C)c([N+](=O)[O-])ccc1=O ZINC000412999168 477466784 /nfs/dbraw/zinc/46/67/84/477466784.db2.gz DQYBERSBFPTLLV-UHFFFAOYSA-N 1 2 330.319 2.622 10 5 EFBELO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000371735685 477468487 /nfs/dbraw/zinc/46/84/87/477468487.db2.gz LFCIWMVLZPHIGV-UHFFFAOYSA-N 1 2 346.412 2.868 10 5 EFBELO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCO[C@@H](C3CCCCC3)C2)c1 ZINC000371828620 477514778 /nfs/dbraw/zinc/51/47/78/477514778.db2.gz KMJKFXIRWOVIGG-QZTJIDSGSA-N 1 2 334.416 2.909 10 5 EFBELO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCO[C@@H](C3CCCCC3)C2)c1 ZINC000371828620 477514781 /nfs/dbraw/zinc/51/47/81/477514781.db2.gz 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347.371 2.703 10 5 EFBELO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000601235299 478740790 /nfs/dbraw/zinc/74/07/90/478740790.db2.gz OSQUWBODHPEHFM-CMPLNLGQSA-N 1 2 341.289 2.750 10 5 EFBELO CC[C@H]1C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])CCN1CC(F)F ZINC000595405728 478764357 /nfs/dbraw/zinc/76/43/57/478764357.db2.gz YZHZERCJIOYOJG-ZDUSSCGKSA-N 1 2 331.338 2.895 10 5 EFBELO CC[C@H]1C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])CCN1CC(F)F ZINC000595405728 478764365 /nfs/dbraw/zinc/76/43/65/478764365.db2.gz YZHZERCJIOYOJG-ZDUSSCGKSA-N 1 2 331.338 2.895 10 5 EFBELO CCOC(=O)c1c(C)n[nH]c1C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000595427074 478773639 /nfs/dbraw/zinc/77/36/39/478773639.db2.gz WWBDEYLHGPHYNQ-SNVBAGLBSA-N 1 2 332.360 2.654 10 5 EFBELO O=[N+]([O-])c1ccccc1C[N@@H+](Cc1cnc[nH]1)[C@H]1CC[C@H](O)CC1 ZINC000592133086 478791156 /nfs/dbraw/zinc/79/11/56/478791156.db2.gz SGJXHQFZKGCKCR-WKILWMFISA-N 1 2 330.388 2.624 10 5 EFBELO O=[N+]([O-])c1ccccc1C[N@H+](Cc1cnc[nH]1)[C@H]1CC[C@H](O)CC1 ZINC000592133086 478791164 /nfs/dbraw/zinc/79/11/64/478791164.db2.gz SGJXHQFZKGCKCR-WKILWMFISA-N 1 2 330.388 2.624 10 5 EFBELO O=[N+]([O-])c1ccccc1C[N@@H+](Cc1c[nH]cn1)[C@H]1CC[C@H](O)CC1 ZINC000592133086 478791168 /nfs/dbraw/zinc/79/11/68/478791168.db2.gz SGJXHQFZKGCKCR-WKILWMFISA-N 1 2 330.388 2.624 10 5 EFBELO O=[N+]([O-])c1ccccc1C[N@H+](Cc1c[nH]cn1)[C@H]1CC[C@H](O)CC1 ZINC000592133086 478791177 /nfs/dbraw/zinc/79/11/77/478791177.db2.gz SGJXHQFZKGCKCR-WKILWMFISA-N 1 2 330.388 2.624 10 5 EFBELO CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1CC1 ZINC000598381301 478796412 /nfs/dbraw/zinc/79/64/12/478796412.db2.gz NSCZUBCUAHLBEK-MRXNPFEDSA-N 1 2 328.372 2.945 10 5 EFBELO CC(C)[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CC1 ZINC000598381363 478796660 /nfs/dbraw/zinc/79/66/60/478796660.db2.gz LFJLBPGJHOVWEV-INIZCTEOSA-N 1 2 328.372 2.945 10 5 EFBELO CCc1cccc(OCC[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)c1 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ZINC000593057319 479148562 /nfs/dbraw/zinc/14/85/62/479148562.db2.gz FNDNJQFYIOWQPY-CABCVRRESA-N 1 2 336.388 2.771 10 5 EFBELO CC[C@@H]1CO[C@@H](CC)C[N@H+]1Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000593057319 479148565 /nfs/dbraw/zinc/14/85/65/479148565.db2.gz FNDNJQFYIOWQPY-CABCVRRESA-N 1 2 336.388 2.771 10 5 EFBELO CCO[C@@]1(C)C[C@H]1[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000599074618 479150966 /nfs/dbraw/zinc/15/09/66/479150966.db2.gz YIJMSLUCTKIYAF-VYDXJSESSA-N 1 2 330.388 2.575 10 5 EFBELO Cn1cc([C@H]2C[N@H+](Cc3cc(O)ccc3[N+](=O)[O-])CC2(C)C)cn1 ZINC000573814707 479151360 /nfs/dbraw/zinc/15/13/60/479151360.db2.gz ULQDSKCPVCBNQE-OAHLLOKOSA-N 1 2 330.388 2.660 10 5 EFBELO Cn1cc([C@H]2C[N@@H+](Cc3cc(O)ccc3[N+](=O)[O-])CC2(C)C)cn1 ZINC000573814707 479151366 /nfs/dbraw/zinc/15/13/66/479151366.db2.gz ULQDSKCPVCBNQE-OAHLLOKOSA-N 1 2 330.388 2.660 10 5 EFBELO C[C@@H]1OCC[C@@]12CN(c1ccc3c[nH+]ccc3c1[N+](=O)[O-])C[C@@H](C)O2 ZINC000599078926 479152009 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O=[N+]([O-])c1cc(C[N@H+](Cc2ccccc2)[C@@]2(CO)CCOC2)cs1 ZINC000599398003 479283414 /nfs/dbraw/zinc/28/34/14/479283414.db2.gz QWIVLGWQIFRWIN-QGZVFWFLSA-N 1 2 348.424 2.810 10 5 EFBELO O=[N+]([O-])c1cc(C[N@@H+](Cc2ccccc2)[C@@]2(CO)CCOC2)cs1 ZINC000599398003 479283418 /nfs/dbraw/zinc/28/34/18/479283418.db2.gz QWIVLGWQIFRWIN-QGZVFWFLSA-N 1 2 348.424 2.810 10 5 EFBELO COc1cc(NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)c(Cl)cc1[N+](=O)[O-] ZINC000596428765 479292130 /nfs/dbraw/zinc/29/21/30/479292130.db2.gz HSLDHONWAREAJK-QWRGUYRKSA-N 1 2 343.811 2.778 10 5 EFBELO COc1cc(NCC[N@H+]2C[C@H](C)OC[C@@H]2C)c(Cl)cc1[N+](=O)[O-] ZINC000596428765 479292134 /nfs/dbraw/zinc/29/21/34/479292134.db2.gz HSLDHONWAREAJK-QWRGUYRKSA-N 1 2 343.811 2.778 10 5 EFBELO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000611180300 479303987 /nfs/dbraw/zinc/30/39/87/479303987.db2.gz WQANRGBNHNOJGB-NXEZZACHSA-N 1 2 343.330 2.517 10 5 EFBELO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](C(F)F)C1 ZINC000611180300 479303991 /nfs/dbraw/zinc/30/39/91/479303991.db2.gz WQANRGBNHNOJGB-NXEZZACHSA-N 1 2 343.330 2.517 10 5 EFBELO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CC[C@]2(CC2(F)F)C1 ZINC000593354869 479308412 /nfs/dbraw/zinc/30/84/12/479308412.db2.gz VKQWEIGMGCHQCG-HNNXBMFYSA-N 1 2 348.309 2.652 10 5 EFBELO O=[N+]([O-])c1ccn(CC[N@@H+]2CCc3c(cccc3C(F)(F)F)C2)n1 ZINC000599616026 479353442 /nfs/dbraw/zinc/35/34/42/479353442.db2.gz WJZHTRIGOVWVBW-UHFFFAOYSA-N 1 2 340.305 2.868 10 5 EFBELO O=[N+]([O-])c1ccn(CC[N@H+]2CCc3c(cccc3C(F)(F)F)C2)n1 ZINC000599616026 479353446 /nfs/dbraw/zinc/35/34/46/479353446.db2.gz WJZHTRIGOVWVBW-UHFFFAOYSA-N 1 2 340.305 2.868 10 5 EFBELO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000596597479 479353639 /nfs/dbraw/zinc/35/36/39/479353639.db2.gz UHJMZRHDZZJRLK-UHFFFAOYSA-N 1 2 330.388 2.911 10 5 EFBELO COc1cc([N+](=O)[O-])ccc1C[N@H+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000596597479 479353646 /nfs/dbraw/zinc/35/36/46/479353646.db2.gz 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COC(=O)C1C[C@H](C)[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H](C)C1 ZINC000599693753 479394776 /nfs/dbraw/zinc/39/47/76/479394776.db2.gz FZQOZFPWTGBZPR-QWRGUYRKSA-N 1 2 346.387 2.633 10 5 EFBELO C[C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@@H]1F ZINC000611506717 479399167 /nfs/dbraw/zinc/39/91/67/479399167.db2.gz QJLVTMCICGJUAT-AAEUAGOBSA-N 1 2 332.335 2.601 10 5 EFBELO C[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@@H]1F ZINC000611506720 479399968 /nfs/dbraw/zinc/39/99/68/479399968.db2.gz QJLVTMCICGJUAT-YPMHNXCESA-N 1 2 332.335 2.601 10 5 EFBELO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000611576675 479422181 /nfs/dbraw/zinc/42/21/81/479422181.db2.gz CWLIBVHBTWOZCA-ZWNOBZJWSA-N 1 2 343.330 2.625 10 5 EFBELO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](OC(F)F)C1 ZINC000611576675 479422186 /nfs/dbraw/zinc/42/21/86/479422186.db2.gz CWLIBVHBTWOZCA-ZWNOBZJWSA-N 1 2 343.330 2.625 10 5 EFBELO Cc1cc(C)c([N+](=O)[O-])c(N2CCC[N@H+](Cc3cscn3)CC2)n1 ZINC000611616148 479431135 /nfs/dbraw/zinc/43/11/35/479431135.db2.gz QTZKGYUHQQLZBT-UHFFFAOYSA-N 1 2 347.444 2.775 10 5 EFBELO Cc1cc(C)c([N+](=O)[O-])c(N2CCC[N@@H+](Cc3cscn3)CC2)n1 ZINC000611616148 479431140 /nfs/dbraw/zinc/43/11/40/479431140.db2.gz QTZKGYUHQQLZBT-UHFFFAOYSA-N 1 2 347.444 2.775 10 5 EFBELO O=C(N[C@@H]1CCCC1(F)F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000588789349 479442398 /nfs/dbraw/zinc/44/23/98/479442398.db2.gz WMFBPFZSUKAKNJ-CYBMUJFWSA-N 1 2 336.298 2.698 10 5 EFBELO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC12CCCC2 ZINC000593757780 479449798 /nfs/dbraw/zinc/44/97/98/479449798.db2.gz IEPFAPBRSSYURD-UHFFFAOYSA-N 1 2 326.356 2.939 10 5 EFBELO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000589518775 479536863 /nfs/dbraw/zinc/53/68/63/479536863.db2.gz DVYMSHLRAODWAP-INIZCTEOSA-N 1 2 339.395 2.937 10 5 EFBELO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000589518775 479536869 /nfs/dbraw/zinc/53/68/69/479536869.db2.gz DVYMSHLRAODWAP-INIZCTEOSA-N 1 2 339.395 2.937 10 5 EFBELO O=C(NC[C@@H]1CC[C@H]2C[C@H]2C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000600168615 479558784 /nfs/dbraw/zinc/55/87/84/479558784.db2.gz LAXXFLMHXQMQLX-VNHYZAJKSA-N 1 2 340.383 2.947 10 5 EFBELO COc1ccc(-c2ccc(C[N@@H+]3CCO[C@H]4C[C@H]43)o2)c([N+](=O)[O-])c1 ZINC000590053164 479597430 /nfs/dbraw/zinc/59/74/30/479597430.db2.gz NLUQUPCKMAKCQZ-WBVHZDCISA-N 1 2 330.340 2.837 10 5 EFBELO COc1ccc(-c2ccc(C[N@H+]3CCO[C@H]4C[C@H]43)o2)c([N+](=O)[O-])c1 ZINC000590053164 479597436 /nfs/dbraw/zinc/59/74/36/479597436.db2.gz NLUQUPCKMAKCQZ-WBVHZDCISA-N 1 2 330.340 2.837 10 5 EFBELO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cccc(O)c3Cl)CC2)cn1 ZINC000590345592 479633422 /nfs/dbraw/zinc/63/34/22/479633422.db2.gz GTPMUSNGLYTMHZ-UHFFFAOYSA-N 1 2 348.790 2.671 10 5 EFBELO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@@H]1C(F)(F)F ZINC000590378639 479637259 /nfs/dbraw/zinc/63/72/59/479637259.db2.gz YTJVASLQAAUHSL-GFCCVEGCSA-N 1 2 340.261 2.557 10 5 EFBELO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000597281555 479655805 /nfs/dbraw/zinc/65/58/05/479655805.db2.gz IGXLEGNTIFSUNS-CQSZACIVSA-N 1 2 342.399 2.562 10 5 EFBELO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000597281555 479655808 /nfs/dbraw/zinc/65/58/08/479655808.db2.gz IGXLEGNTIFSUNS-CQSZACIVSA-N 1 2 342.399 2.562 10 5 EFBELO COC(=O)c1c(Cl)c(NCCCn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000590568659 479661249 /nfs/dbraw/zinc/66/12/49/479661249.db2.gz AETDPXXYEVSUNO-UHFFFAOYSA-N 1 2 338.751 2.734 10 5 EFBELO C[C@H]1CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C[C@@H]1F ZINC000619154643 479700654 /nfs/dbraw/zinc/70/06/54/479700654.db2.gz BCYDROGXLLSOMP-ZFWWWQNUSA-N 1 2 337.395 2.611 10 5 EFBELO CC(C)Cn1cc[nH+]c1CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000610200259 480249839 /nfs/dbraw/zinc/24/98/39/480249839.db2.gz VUJVYCWVNNMDGL-UHFFFAOYSA-N 1 2 341.371 2.859 10 5 EFBELO O=C(NCCc1ccsc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000046243028 519108620 /nfs/dbraw/zinc/10/86/20/519108620.db2.gz SPZQZMITSKZAFM-UHFFFAOYSA-N 1 2 342.380 2.815 10 5 EFBELO CC[C@@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1cccc([N+](=O)[O-])c1 ZINC000156518488 522762138 /nfs/dbraw/zinc/76/21/38/522762138.db2.gz HLOKDLMPJPYBJU-UKRRQHHQSA-N 1 2 328.372 2.621 10 5 EFBELO COCc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000125107583 523225559 /nfs/dbraw/zinc/22/55/59/523225559.db2.gz VCBBMXBLONYBNF-SMDDNHRTSA-N 1 2 331.376 2.518 10 5 EFBELO C[C@@H](O)C1CC[NH+](Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000235307250 525746973 /nfs/dbraw/zinc/74/69/73/525746973.db2.gz CNJMKFBAFYXQEU-SNVBAGLBSA-N 1 2 343.221 2.950 10 5 EFBELO O=C(NC1CCN(c2cccc[nH+]2)CC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000121205458 527536454 /nfs/dbraw/zinc/53/64/54/527536454.db2.gz WMEGSRDKFKEOBL-UHFFFAOYSA-N 1 2 344.346 2.528 10 5 EFBELO O=C(NCCCNc1cccc[nH+]1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000118725157 527678283 /nfs/dbraw/zinc/67/82/83/527678283.db2.gz FHLMKJBFFCYVLH-UHFFFAOYSA-N 1 2 339.355 2.703 10 5 EFBELO CCOC(=O)c1c(C)onc1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352115703 535673524 /nfs/dbraw/zinc/67/35/24/535673524.db2.gz NPXXCJHRTUJCRL-UHFFFAOYSA-N 1 2 347.371 2.742 10 5 EFBELO CCOC(=O)c1c(C)onc1C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352115703 535673526 /nfs/dbraw/zinc/67/35/26/535673526.db2.gz NPXXCJHRTUJCRL-UHFFFAOYSA-N 1 2 347.371 2.742 10 5 EFBELO COc1cc(C[NH2+][C@H](CO)c2c(F)cccc2F)ccc1[N+](=O)[O-] ZINC000359521207 536813262 /nfs/dbraw/zinc/81/32/62/536813262.db2.gz LQXRVPRPVHVWKP-CYBMUJFWSA-N 1 2 338.310 2.705 10 5 EFBELO COc1cc(C[NH2+][C@H](CO)c2ccsc2)c([N+](=O)[O-])cc1F ZINC000352034353 536813547 /nfs/dbraw/zinc/81/35/47/536813547.db2.gz ZXLUJYCPSKMAGD-GFCCVEGCSA-N 1 2 326.349 2.627 10 5 EFBELO O=C(NC[C@@H]1CC[C@@H]2C[C@@H]2C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000600168613 546388646 /nfs/dbraw/zinc/38/86/46/546388646.db2.gz LAXXFLMHXQMQLX-NFAWXSAZSA-N 1 2 340.383 2.947 10 5 EFBELO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000755014737 575530551 /nfs/dbraw/zinc/53/05/51/575530551.db2.gz TWFFPUMWLKKTND-RAXLEYEMSA-N 1 2 340.383 2.776 10 5 EFBELO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000755243676 575564975 /nfs/dbraw/zinc/56/49/75/575564975.db2.gz YGLYSEHYFBIHDB-JLHYYAGUSA-N 1 2 339.351 2.683 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(C(=O)OCC(C)C)CC1 ZINC000757740982 575852080 /nfs/dbraw/zinc/85/20/80/575852080.db2.gz AHPXNIGBOBISHT-UHFFFAOYSA-N 1 2 335.404 2.813 10 5 EFBELO Cc1cc(NC(=O)c2cccc3[nH+]ccn32)c2cc([N+](=O)[O-])ccc2n1 ZINC000765137501 577011039 /nfs/dbraw/zinc/01/10/39/577011039.db2.gz CYIYOZYLHCBMIW-UHFFFAOYSA-N 1 2 347.334 2.773 10 5 EFBELO Cc1cc(Br)ccc1C[N@H+](C)Cn1cc([N+](=O)[O-])cn1 ZINC000766088874 577106145 /nfs/dbraw/zinc/10/61/45/577106145.db2.gz LHXGQRRNUKBLJU-UHFFFAOYSA-N 1 2 339.193 2.952 10 5 EFBELO Cc1cc(Br)ccc1C[N@@H+](C)Cn1cc([N+](=O)[O-])cn1 ZINC000766088874 577106148 /nfs/dbraw/zinc/10/61/48/577106148.db2.gz LHXGQRRNUKBLJU-UHFFFAOYSA-N 1 2 339.193 2.952 10 5 EFBELO O=C(Nc1ccc(CO)cc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000770529635 581106576 /nfs/dbraw/zinc/10/65/76/581106576.db2.gz UMPGFKXMBNEJNH-UHFFFAOYSA-N 1 2 338.323 2.525 10 5 EFBELO O=[N+]([O-])c1cc(-c2nc(-c3cncs3)no2)ccc1-n1cc[nH+]c1 ZINC000771412043 581209514 /nfs/dbraw/zinc/20/95/14/581209514.db2.gz VVNORUPIOZSXHJ-UHFFFAOYSA-N 1 2 340.324 2.954 10 5 EFBELO COC(=O)c1cc(C(=O)OCc2ccc(C)[nH+]c2C)cc([N+](=O)[O-])c1 ZINC000771888036 581255180 /nfs/dbraw/zinc/25/51/80/581255180.db2.gz COSAOMAMFAHZDZ-UHFFFAOYSA-N 1 2 344.323 2.750 10 5 EFBELO Cc1ccc(COC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)c(C)[nH+]1 ZINC000772009315 581270617 /nfs/dbraw/zinc/27/06/17/581270617.db2.gz FTHBJRCWDALTOK-UHFFFAOYSA-N 1 2 340.339 2.700 10 5 EFBELO CCC[N@H+](CCNC(=O)C(C)(C)F)Cc1csc([N+](=O)[O-])c1 ZINC001691173523 1248507702 /nfs/dbraw/zinc/50/77/02/1248507702.db2.gz HNYGGYCSSPDRFQ-UHFFFAOYSA-N 1 2 331.413 2.733 10 5 EFBELO CCC[N@@H+](CCNC(=O)C(C)(C)F)Cc1csc([N+](=O)[O-])c1 ZINC001691173523 1248507713 /nfs/dbraw/zinc/50/77/13/1248507713.db2.gz HNYGGYCSSPDRFQ-UHFFFAOYSA-N 1 2 331.413 2.733 10 5 EFBELO CC(F)(F)CCC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000929263648 1264396038 /nfs/dbraw/zinc/39/60/38/1264396038.db2.gz YERDYJKTPBILIF-UHFFFAOYSA-N 1 2 347.387 2.850 10 5 EFBELO CC(C)(C)C1CC[NH+](CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CC1 ZINC000734829316 1267122851 /nfs/dbraw/zinc/12/28/51/1267122851.db2.gz IQVZMYZBMBQWEK-UHFFFAOYSA-N 1 2 345.399 2.906 10 5 EFBELO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000825123860 1278419861 /nfs/dbraw/zinc/41/98/61/1278419861.db2.gz DSWBXPXVOBWKJP-PELKAZGASA-N 1 2 338.713 2.993 10 5 EFBELO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000825123860 1278419863 /nfs/dbraw/zinc/41/98/63/1278419863.db2.gz DSWBXPXVOBWKJP-PELKAZGASA-N 1 2 338.713 2.993 10 5 EFBELO O=C(Nc1ccc2c(n1)CCC2)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001128987284 1272585274 /nfs/dbraw/zinc/58/52/74/1272585274.db2.gz LWZIBXRWWMMYQN-UHFFFAOYSA-N 1 2 349.350 2.917 10 5 EFBELO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](C)c1nc(C2CCCCC2)no1 ZINC001169046023 1272623443 /nfs/dbraw/zinc/62/34/43/1272623443.db2.gz VGEWECHNTPXALW-LLVKDONJSA-N 1 2 348.407 2.881 10 5 EFBELO O=C(C[N@@H+]1CCC[C@@]2(CC2(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000844436156 1279003953 /nfs/dbraw/zinc/00/39/53/1279003953.db2.gz FKPLIBBZSJCLTQ-CQSZACIVSA-N 1 2 325.315 2.655 10 5 EFBELO O=C(C[N@H+]1CCC[C@@]2(CC2(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000844436156 1279003961 /nfs/dbraw/zinc/00/39/61/1279003961.db2.gz FKPLIBBZSJCLTQ-CQSZACIVSA-N 1 2 325.315 2.655 10 5 EFBELO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000822535966 1289013745 /nfs/dbraw/zinc/01/37/45/1289013745.db2.gz GHQUPJUVQWOJIM-OAHLLOKOSA-N 1 2 341.367 2.900 10 5 EFBELO CCOC(=O)[C@H]1C[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)CCC1(F)F ZINC001175003189 1287278513 /nfs/dbraw/zinc/27/85/13/1287278513.db2.gz GNQIADOSCPIGNL-CYBMUJFWSA-N 1 2 342.342 2.924 10 5 EFBELO CCOC(=O)[C@H]1C[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)CCC1(F)F ZINC001175003189 1287278523 /nfs/dbraw/zinc/27/85/23/1287278523.db2.gz GNQIADOSCPIGNL-CYBMUJFWSA-N 1 2 342.342 2.924 10 5 EFBELO O=[N+]([O-])c1cn(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)nc1-c1ccncc1 ZINC000844757761 1279227069 /nfs/dbraw/zinc/22/70/69/1279227069.db2.gz QWTBLAJOESSGNJ-CQSZACIVSA-N 1 2 335.314 2.542 10 5 EFBELO O=[N+]([O-])c1cn(C[N@H+]2CC[C@@]3(CC3(F)F)C2)nc1-c1ccncc1 ZINC000844757761 1279227074 /nfs/dbraw/zinc/22/70/74/1279227074.db2.gz QWTBLAJOESSGNJ-CQSZACIVSA-N 1 2 335.314 2.542 10 5 EFBELO Cc1cnc([C@H](C)[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000794262777 1280123827 /nfs/dbraw/zinc/12/38/27/1280123827.db2.gz ZEZNOBCIFUVKLY-AWEZNQCLSA-N 1 2 327.388 2.576 10 5 EFBELO C[C@@H]([NH2+]CCS(=O)(=O)C(C)(C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872044830 1287409622 /nfs/dbraw/zinc/40/96/22/1287409622.db2.gz FZAAWRRVINUXHO-SNVBAGLBSA-N 1 2 332.397 2.598 10 5 EFBELO C[C@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)c1c(F)cccc1[N+](=O)[O-] ZINC000872045828 1287410695 /nfs/dbraw/zinc/41/06/95/1287410695.db2.gz RQQNTHLMISYHPU-WCBMZHEXSA-N 1 2 349.284 2.548 10 5 EFBELO C[C@@H](Nc1ccc(N(C)CCO)c[nH+]1)c1c(F)cccc1[N+](=O)[O-] ZINC000872054822 1287413398 /nfs/dbraw/zinc/41/33/98/1287413398.db2.gz BYDHEEUFESJFBE-LLVKDONJSA-N 1 2 334.351 2.731 10 5 EFBELO C[C@H]([NH2+][C@@H]1Cc2ccccc2N(C)C1=O)c1c(F)cccc1[N+](=O)[O-] ZINC000872086091 1287424507 /nfs/dbraw/zinc/42/45/07/1287424507.db2.gz UIHQDXCZCIMHTG-SMDDNHRTSA-N 1 2 343.358 2.972 10 5 EFBELO C[C@H]([NH2+]C[C@@H](n1cncn1)C(F)(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872091821 1287426136 /nfs/dbraw/zinc/42/61/36/1287426136.db2.gz KJJVUCSFTYFUEG-GZMMTYOYSA-N 1 2 347.272 2.780 10 5 EFBELO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cc(O)ccc1[N+](=O)[O-] ZINC000809688739 1282406880 /nfs/dbraw/zinc/40/68/80/1282406880.db2.gz OPSCMQWEGUYEQY-UHFFFAOYSA-N 1 2 331.328 2.883 10 5 EFBELO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1cc(O)ccc1[N+](=O)[O-] ZINC000809688739 1282406884 /nfs/dbraw/zinc/40/68/84/1282406884.db2.gz OPSCMQWEGUYEQY-UHFFFAOYSA-N 1 2 331.328 2.883 10 5 EFBELO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809942178 1282635612 /nfs/dbraw/zinc/63/56/12/1282635612.db2.gz FQDUJOXHBVUZEY-IUCAKERBSA-N 1 2 346.214 2.987 10 5 EFBELO C[C@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809942178 1282635629 /nfs/dbraw/zinc/63/56/29/1282635629.db2.gz FQDUJOXHBVUZEY-IUCAKERBSA-N 1 2 346.214 2.987 10 5 EFBELO O=[N+]([O-])c1cc(I)cc(C[N@@H+]2CC[C@@H]3C[C@@H]32)c1 ZINC000809967878 1282657983 /nfs/dbraw/zinc/65/79/83/1282657983.db2.gz JTDMKSUMWZARCG-SKDRFNHKSA-N 1 2 344.152 2.794 10 5 EFBELO O=[N+]([O-])c1cc(I)cc(C[N@H+]2CC[C@@H]3C[C@@H]32)c1 ZINC000809967878 1282657996 /nfs/dbraw/zinc/65/79/96/1282657996.db2.gz JTDMKSUMWZARCG-SKDRFNHKSA-N 1 2 344.152 2.794 10 5 EFBELO CCOC(=O)[C@@H]1[C@@H]2CC[N@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C[C@@H]21 ZINC001176105899 1287709966 /nfs/dbraw/zinc/70/99/66/1287709966.db2.gz RAWIJECOHUYECX-VNHYZAJKSA-N 1 2 338.791 2.879 10 5 EFBELO CCOC(=O)[C@@H]1[C@@H]2CC[N@@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C[C@@H]21 ZINC001176105899 1287709976 /nfs/dbraw/zinc/70/99/76/1287709976.db2.gz RAWIJECOHUYECX-VNHYZAJKSA-N 1 2 338.791 2.879 10 5 EFBELO CC1(C)C[C@]1(C)CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001133225937 1285010787 /nfs/dbraw/zinc/01/07/87/1285010787.db2.gz ZDNXPHMPVQNRKP-QGZVFWFLSA-N 1 2 328.372 2.947 10 5 EFBELO O=C(O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)C1(F)CCCC1 ZINC000813172794 1285703592 /nfs/dbraw/zinc/70/35/92/1285703592.db2.gz NXCLHPKDALWGCD-HNNXBMFYSA-N 1 2 336.363 2.995 10 5 EFBELO O=C(O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)C1(F)CCCC1 ZINC000813172794 1285703595 /nfs/dbraw/zinc/70/35/95/1285703595.db2.gz NXCLHPKDALWGCD-HNNXBMFYSA-N 1 2 336.363 2.995 10 5 EFBELO Cc1cc(CNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)cc(C)[nH+]1 ZINC000817125225 1288428019 /nfs/dbraw/zinc/42/80/19/1288428019.db2.gz YPLZSSZAKOJWEI-UHFFFAOYSA-N 1 2 328.328 2.550 10 5 EFBELO CCc1[nH]c(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)c[nH+]1 ZINC001178669324 1288858300 /nfs/dbraw/zinc/85/83/00/1288858300.db2.gz GFGHHMGRBFARGV-UHFFFAOYSA-N 1 2 334.351 2.613 10 5 EFBELO CCc1[nH]cc(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)[nH+]1 ZINC001178669324 1288858304 /nfs/dbraw/zinc/85/83/04/1288858304.db2.gz GFGHHMGRBFARGV-UHFFFAOYSA-N 1 2 334.351 2.613 10 5 EFBELO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cnn(-c2ccccc2)n1 ZINC000796112271 1291982247 /nfs/dbraw/zinc/98/22/47/1291982247.db2.gz HLTSPJBAFBWAKH-UHFFFAOYSA-N 1 2 337.383 2.850 10 5 EFBELO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1cnn(-c2ccccc2)n1 ZINC000796112271 1291982252 /nfs/dbraw/zinc/98/22/52/1291982252.db2.gz HLTSPJBAFBWAKH-UHFFFAOYSA-N 1 2 337.383 2.850 10 5 EFBELO COc1ccccc1Cc1cn(Cc2onc(C)c2[N+](=O)[O-])c[nH+]1 ZINC001190284013 1292110260 /nfs/dbraw/zinc/11/02/60/1292110260.db2.gz RWVGQYHVJPPELR-UHFFFAOYSA-N 1 2 328.328 2.735 10 5 EFBELO C[C@@H]1CC[C@H](CO)[N@@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000880440300 1292496486 /nfs/dbraw/zinc/49/64/86/1292496486.db2.gz ZCXXGQVWGRALEA-MWLCHTKSSA-N 1 2 329.194 2.703 10 5 EFBELO C[C@@H]1CC[C@H](CO)[N@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000880440300 1292496491 /nfs/dbraw/zinc/49/64/91/1292496491.db2.gz ZCXXGQVWGRALEA-MWLCHTKSSA-N 1 2 329.194 2.703 10 5 EFBELO COC(=O)/C=C\c1ccc(NCCCCn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000775484027 1292669494 /nfs/dbraw/zinc/66/94/94/1292669494.db2.gz ZZNIAUYQKXXKSW-ALCCZGGFSA-N 1 2 344.371 2.870 10 5 EFBELO CC[C@@H]([NH2+][C@@H](C)c1nc(-c2nc[nH]n2)no1)c1cccc([N+](=O)[O-])c1 ZINC001192813946 1293059662 /nfs/dbraw/zinc/05/96/62/1293059662.db2.gz DVKXTALPXWUEKB-JOYOIKCWSA-N 1 2 343.347 2.565 10 5 EFBELO CCO[C@H](COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CC1 ZINC000859663875 1301523374 /nfs/dbraw/zinc/52/33/74/1301523374.db2.gz VQTUGRVDENVXLP-MRXNPFEDSA-N 1 2 345.355 2.752 10 5 EFBELO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)ccc1Cl ZINC000859888659 1301620152 /nfs/dbraw/zinc/62/01/52/1301620152.db2.gz IBTLPEXPACCOOZ-SMDDFHAHSA-N 1 2 328.821 2.734 10 5 EFBELO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)ccc1Cl ZINC000859888659 1301620165 /nfs/dbraw/zinc/62/01/65/1301620165.db2.gz IBTLPEXPACCOOZ-SMDDFHAHSA-N 1 2 328.821 2.734 10 5 EFBELO Cc1cc(C)c(CNC(=O)NCc2ccc(C)c([N+](=O)[O-])c2)c[nH+]1 ZINC000868686145 1304420381 /nfs/dbraw/zinc/42/03/81/1304420381.db2.gz PKDULFOKDKGKQJ-UHFFFAOYSA-N 1 2 328.372 2.914 10 5 EFBELO CC1(C)CO[C@@H](COC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000869496498 1304811700 /nfs/dbraw/zinc/81/17/00/1304811700.db2.gz OXTKXCXDDHRJEQ-CYBMUJFWSA-N 1 2 345.355 2.752 10 5 EFBELO CC1(C)CO[C@H](COC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000869496499 1304811875 /nfs/dbraw/zinc/81/18/75/1304811875.db2.gz OXTKXCXDDHRJEQ-ZDUSSCGKSA-N 1 2 345.355 2.752 10 5 EFBELO CC1(C)CO[C@H](COC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000869533480 1304834376 /nfs/dbraw/zinc/83/43/76/1304834376.db2.gz ZERARBSUPYYMNO-ZDUSSCGKSA-N 1 2 345.355 2.752 10 5 EFBELO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)O[C@H]1CC[N@H+](CCF)C1 ZINC000802240040 1311496519 /nfs/dbraw/zinc/49/65/19/1311496519.db2.gz TWONABFUIMEHGD-HOCLYGCPSA-N 1 2 338.379 2.751 10 5 EFBELO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC000802240040 1311496521 /nfs/dbraw/zinc/49/65/21/1311496521.db2.gz TWONABFUIMEHGD-HOCLYGCPSA-N 1 2 338.379 2.751 10 5 EFBELO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)O[C@H]1CC[N@H+](CCF)C1 ZINC000802244355 1311502936 /nfs/dbraw/zinc/50/29/36/1311502936.db2.gz NRSSSIOFOJOJLS-AAEUAGOBSA-N 1 2 342.392 2.662 10 5 EFBELO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC000802244355 1311502938 /nfs/dbraw/zinc/50/29/38/1311502938.db2.gz NRSSSIOFOJOJLS-AAEUAGOBSA-N 1 2 342.392 2.662 10 5 EFBELO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)OCCCc1[nH+]ccn1C ZINC000802784727 1312020137 /nfs/dbraw/zinc/02/01/37/1312020137.db2.gz TXGWAXCCNMFDTE-SEYXRHQNSA-N 1 2 329.356 2.908 10 5 EFBELO CCOc1ccc(C(=O)OCCCc2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000802786296 1312021945 /nfs/dbraw/zinc/02/19/45/1312021945.db2.gz ITPAKVHYPKVFQI-UHFFFAOYSA-N 1 2 333.344 2.517 10 5 EFBELO C[C@H](C(=O)OCCCc1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1F ZINC000802786638 1312022106 /nfs/dbraw/zinc/02/21/06/1312022106.db2.gz WFWMVXGDOATKDO-NSHDSACASA-N 1 2 335.335 2.747 10 5 EFBELO Cn1c[nH+]c(CCNc2ncnc3c(Cl)cc([N+](=O)[O-])cc23)c1 ZINC001163455668 1312316013 /nfs/dbraw/zinc/31/60/13/1312316013.db2.gz FAUGYQWTRXUDQI-UHFFFAOYSA-N 1 2 332.751 2.580 10 5 EFBELO CC[C@@H]1COCC[N@@H+]1CCNc1nc2ccc([N+](=O)[O-])cc2s1 ZINC001164077637 1312442561 /nfs/dbraw/zinc/44/25/61/1312442561.db2.gz QIKSHQRKAWNBMW-LLVKDONJSA-N 1 2 336.417 2.727 10 5 EFBELO CC[C@@H]1COCC[N@H+]1CCNc1nc2ccc([N+](=O)[O-])cc2s1 ZINC001164077637 1312442565 /nfs/dbraw/zinc/44/25/65/1312442565.db2.gz QIKSHQRKAWNBMW-LLVKDONJSA-N 1 2 336.417 2.727 10 5 EFBELO CCNc1cc(CNC(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])cc[nH+]1 ZINC001248418481 1314933880 /nfs/dbraw/zinc/93/38/80/1314933880.db2.gz VNVKLYOBXBMNOR-GFCCVEGCSA-N 1 2 343.387 2.982 10 5 EFBELO COc1ccc(NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC001263627880 1316552421 /nfs/dbraw/zinc/55/24/21/1316552421.db2.gz ZQVPZMVVJWSKJY-UHFFFAOYSA-N 1 2 345.359 2.738 10 5 EFBELO COc1ccc(NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c([N+](=O)[O-])c1 ZINC001263627880 1316552423 /nfs/dbraw/zinc/55/24/23/1316552423.db2.gz ZQVPZMVVJWSKJY-UHFFFAOYSA-N 1 2 345.359 2.738 10 5 EFBELO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC001290561952 1321927132 /nfs/dbraw/zinc/92/71/32/1321927132.db2.gz IYNBWNPEZPWOQE-UHFFFAOYSA-N 1 2 346.362 2.548 10 5 EFBELO Nc1nnc(C2CC[NH+](Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)o1 ZINC001307894541 1324784640 /nfs/dbraw/zinc/78/46/40/1324784640.db2.gz WEZMFYVCNJFIIO-UHFFFAOYSA-N 1 2 337.767 2.593 10 5 EFBELO CC[N@H+](CCNC(=O)c1ncccc1C)Cc1csc([N+](=O)[O-])c1 ZINC001317474197 1328060805 /nfs/dbraw/zinc/06/08/05/1328060805.db2.gz ACVIJATYAPQUCL-UHFFFAOYSA-N 1 2 348.428 2.612 10 5 EFBELO CC[N@@H+](CCNC(=O)c1ncccc1C)Cc1csc([N+](=O)[O-])c1 ZINC001317474197 1328060812 /nfs/dbraw/zinc/06/08/12/1328060812.db2.gz ACVIJATYAPQUCL-UHFFFAOYSA-N 1 2 348.428 2.612 10 5 EFBELO CN1CC[C@@H]([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])[C@H]1c1ccc(F)cc1 ZINC001324911898 1329658885 /nfs/dbraw/zinc/65/88/85/1329658885.db2.gz AJEUFFXESOYMQB-SJLPKXTDSA-N 1 2 345.374 2.975 10 5 EFBELO O=C(N[C@H]1C[C@@H]2[C@H](C1)C2(F)F)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001331203969 1330805494 /nfs/dbraw/zinc/80/54/94/1330805494.db2.gz TVJFOGLSTXSPAY-ZSBIGDGJSA-N 1 2 348.309 2.554 10 5 EFBELO CC(C)([C@H]([NH2+]CC[N+](=O)[O-])c1ccc(F)c(F)c1)N1CCCC1 ZINC001354584227 1334389500 /nfs/dbraw/zinc/38/95/00/1334389500.db2.gz LEEMIHNHAFHGPW-OAHLLOKOSA-N 1 2 327.375 2.747 10 5 EFBELO CC1(C)C[C@H](OC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CO1 ZINC000849766962 1335742900 /nfs/dbraw/zinc/74/29/00/1335742900.db2.gz WEMHFGQLRGKICX-LBPRGKRZSA-N 1 2 331.328 2.505 10 5 EFBELO CO[C@@H](COC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1CCC1 ZINC000849794132 1335759252 /nfs/dbraw/zinc/75/92/52/1335759252.db2.gz PCQLTBPCJOVMCM-INIZCTEOSA-N 1 2 345.355 2.752 10 5 EFBELO O=C(CCc1cc(F)ccc1[N+](=O)[O-])Nc1ccn2cc[nH+]c2c1 ZINC001436596390 1387270349 /nfs/dbraw/zinc/27/03/49/1387270349.db2.gz GQFHJWDPJUKGGI-UHFFFAOYSA-N 1 2 328.303 2.953 10 5 EFBELO C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC001454874764 1394336473 /nfs/dbraw/zinc/33/64/73/1394336473.db2.gz IWPMJXVIKQVUCR-MRXNPFEDSA-N 1 2 329.331 2.650 10 5 EFBELO C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC001454874764 1394336485 /nfs/dbraw/zinc/33/64/85/1394336485.db2.gz IWPMJXVIKQVUCR-MRXNPFEDSA-N 1 2 329.331 2.650 10 5 EFBELO CCOC(=O)c1cc([N+](=O)[O-])c(N(C)CCCn2cc[nH+]c2)cc1C ZINC001458302149 1395441798 /nfs/dbraw/zinc/44/17/98/1395441798.db2.gz YMYZLNIWTAEJBR-UHFFFAOYSA-N 1 2 346.387 2.803 10 5 EFBELO O=C(Nc1ccc2c(n1)CCC2)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001460156187 1396008310 /nfs/dbraw/zinc/00/83/10/1396008310.db2.gz ZSEURBJOJHRYFA-UHFFFAOYSA-N 1 2 349.350 2.917 10 5 EFBELO O=C(NOc1ccccc1F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001558225998 1415167083 /nfs/dbraw/zinc/16/70/83/1415167083.db2.gz KBBZUQJIARYYAB-UHFFFAOYSA-N 1 2 342.286 2.643 10 5 EFBELO C[C@@H](NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccc([N+](=O)[O-])cc1 ZINC001565338338 1415393460 /nfs/dbraw/zinc/39/34/60/1415393460.db2.gz YFVQOJWEJPMBMM-OCCSQVGLSA-N 1 2 343.387 2.968 10 5 EFBELO CC[N@H+](CCNC(=O)C1(CC)CC1)Cc1csc([N+](=O)[O-])c1 ZINC001567344125 1416082602 /nfs/dbraw/zinc/08/26/02/1416082602.db2.gz USOJTFUUHOKPCR-UHFFFAOYSA-N 1 2 325.434 2.785 10 5 EFBELO CC[N@@H+](CCNC(=O)C1(CC)CC1)Cc1csc([N+](=O)[O-])c1 ZINC001567344125 1416082608 /nfs/dbraw/zinc/08/26/08/1416082608.db2.gz USOJTFUUHOKPCR-UHFFFAOYSA-N 1 2 325.434 2.785 10 5 EFBELO C[C@H](CNC(=O)NCCNc1cccc[nH+]1)c1ccccc1[N+](=O)[O-] ZINC001685447060 1416763930 /nfs/dbraw/zinc/76/39/30/1416763930.db2.gz BJWYNJDQKCQYCV-CYBMUJFWSA-N 1 2 343.387 2.505 10 5 EFBELO CNc1cc(CNC(=O)NC[C@@H](C)c2ccccc2[N+](=O)[O-])cc[nH+]1 ZINC001685532414 1416766349 /nfs/dbraw/zinc/76/63/49/1416766349.db2.gz PNPTXIOFDBRAJC-GFCCVEGCSA-N 1 2 343.387 2.634 10 5 EFBELO COCc1ncc2c(n1)CC[N@@H+](Cc1c(C)ccc([N+](=O)[O-])c1C)C2 ZINC000895416953 724124894 /nfs/dbraw/zinc/12/48/94/724124894.db2.gz IRNVSWQAYJGVDC-UHFFFAOYSA-N 1 2 342.399 2.706 10 5 EFBELO COCc1ncc2c(n1)CC[N@H+](Cc1c(C)ccc([N+](=O)[O-])c1C)C2 ZINC000895416953 724124898 /nfs/dbraw/zinc/12/48/98/724124898.db2.gz IRNVSWQAYJGVDC-UHFFFAOYSA-N 1 2 342.399 2.706 10 5 EFBELO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CCn2c[nH+]cc2C1 ZINC000911570538 727562889 /nfs/dbraw/zinc/56/28/89/727562889.db2.gz IVTOFTMPJAMLTJ-LBPRGKRZSA-N 1 2 348.790 2.509 10 5 EFBELO CC(C)(CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)n1cc[nH+]c1 ZINC000912615525 727730107 /nfs/dbraw/zinc/73/01/07/727730107.db2.gz ZGYWREMTIWDGIU-UHFFFAOYSA-N 1 2 340.742 2.749 10 5 EFBELO Cc1cc(C[NH+](C)C)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001570235267 1086076536 /nfs/dbraw/zinc/07/65/36/1086076536.db2.gz UDMOMXBNUGUPNI-UHFFFAOYSA-N 1 2 329.356 2.923 10 5 EFBELO O=[N+]([O-])CC[NH+]1CCN(c2cccc(OCc3ccccc3)c2)CC1 ZINC001648179873 1089956640 /nfs/dbraw/zinc/95/66/40/1089956640.db2.gz OHCHYZMEGRTCQB-UHFFFAOYSA-N 1 2 341.411 2.664 10 5 EFBELO O=[N+]([O-])c1ccc(C[NH2+][C@@]2(c3ccccc3)C[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC001648250099 1089967518 /nfs/dbraw/zinc/96/75/18/1089967518.db2.gz FULYYZZJWWSNPF-WOVMCDHWSA-N 1 2 343.339 2.643 10 5 EFBELO O=C(N[C@@H]1C[C@H]1c1ccco1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001584916587 1092325216 /nfs/dbraw/zinc/32/52/16/1092325216.db2.gz WAXOSTPHIHTWBY-CHWSQXEVSA-N 1 2 338.323 2.659 10 5 EFBELO CC(C)(CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)n1cc[nH+]c1 ZINC001585907584 1092616702 /nfs/dbraw/zinc/61/67/02/1092616702.db2.gz YEKDIRIDCYJLQF-UHFFFAOYSA-N 1 2 339.355 2.505 10 5 EFBELO C[C@@H]1Cc2cnccc2N1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001586732606 1092754113 /nfs/dbraw/zinc/75/41/13/1092754113.db2.gz AWSRPUNRKASDPC-GFCCVEGCSA-N 1 2 349.350 2.767 10 5 EFBELO C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)c1cccnc1 ZINC001587255122 1092794756 /nfs/dbraw/zinc/79/47/56/1092794756.db2.gz LJVPWAYLWKZUSK-LBPRGKRZSA-N 1 2 337.339 2.667 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1C(=O)NCCCN(C)c1cccc[nH+]1 ZINC001588309600 1092915742 /nfs/dbraw/zinc/91/57/42/1092915742.db2.gz WITHDMFQNPAQSM-UHFFFAOYSA-N 1 2 328.372 2.555 10 5 EFBELO CC/C=C(\C)C(=O)NCC[N@H+](CC)Cc1csc([N+](=O)[O-])c1 ZINC001267238418 1093321621 /nfs/dbraw/zinc/32/16/21/1093321621.db2.gz NADUFLRNGAOOFS-WUXMJOGZSA-N 1 2 325.434 2.951 10 5 EFBELO CC/C=C(\C)C(=O)NCC[N@@H+](CC)Cc1csc([N+](=O)[O-])c1 ZINC001267238418 1093321627 /nfs/dbraw/zinc/32/16/27/1093321627.db2.gz NADUFLRNGAOOFS-WUXMJOGZSA-N 1 2 325.434 2.951 10 5 EFBELO O=C(CCOc1ccccc1[N+](=O)[O-])Nc1ccn2cc[nH+]c2c1 ZINC001596386166 1094529388 /nfs/dbraw/zinc/52/93/88/1094529388.db2.gz PPAXIPKIAWTKBK-UHFFFAOYSA-N 1 2 326.312 2.650 10 5 EFBELO O=C(CSc1ccc([N+](=O)[O-])cc1)NCc1[nH]c2c([nH+]1)CCCC2 ZINC001597580175 1094602391 /nfs/dbraw/zinc/60/23/91/1094602391.db2.gz ZIYWHMLHFXLUKL-UHFFFAOYSA-N 1 2 346.412 2.605 10 5 EFBELO O=C(N[C@H](Cn1cc[nH+]c1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC001598065515 1094652588 /nfs/dbraw/zinc/65/25/88/1094652588.db2.gz VRIBKKSDAUKANV-QGZVFWFLSA-N 1 2 336.351 2.963 10 5 EFBELO C[C@H](CC(=O)Nc1ccnn1-c1ccc([N+](=O)[O-])cc1)n1cc[nH+]c1 ZINC001125790287 1094706409 /nfs/dbraw/zinc/70/64/09/1094706409.db2.gz BORIOWPCWZYLCE-GFCCVEGCSA-N 1 2 340.343 2.567 10 5 EFBELO C[C@@H]1COCC[N@@H+]1CCNc1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC001611950505 1099038090 /nfs/dbraw/zinc/03/80/90/1099038090.db2.gz OTWSVLQDDGCQCT-SNVBAGLBSA-N 1 2 333.310 2.746 10 5 EFBELO C[C@@H]1COCC[N@H+]1CCNc1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC001611950505 1099038099 /nfs/dbraw/zinc/03/80/99/1099038099.db2.gz OTWSVLQDDGCQCT-SNVBAGLBSA-N 1 2 333.310 2.746 10 5 EFBELO O=C(NCC[C@@H]1CC[C@@H]2C[C@@H]21)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001616533393 1099183983 /nfs/dbraw/zinc/18/39/83/1099183983.db2.gz QMXHLNIHTANVOH-GZBFAFLISA-N 1 2 340.383 2.947 10 5 EFBELO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)n1cc[nH+]c1 ZINC001618314210 1099289969 /nfs/dbraw/zinc/28/99/69/1099289969.db2.gz KZJZULNEEZWTOV-LLVKDONJSA-N 1 2 325.328 2.929 10 5 EFBELO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(c2ncco2)CC1 ZINC001620483675 1099356363 /nfs/dbraw/zinc/35/63/63/1099356363.db2.gz YQANWZCVVIJROU-GFCCVEGCSA-N 1 2 344.371 2.789 10 5 EFBELO C[C@@H]1Cc2n[nH]cc2C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC001620582163 1099362239 /nfs/dbraw/zinc/36/22/39/1099362239.db2.gz AYRLTDBZWGZWKT-SNVBAGLBSA-N 1 2 327.344 2.654 10 5 EFBELO C[C@@H]1Cc2n[nH]cc2C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC001620582163 1099362250 /nfs/dbraw/zinc/36/22/50/1099362250.db2.gz AYRLTDBZWGZWKT-SNVBAGLBSA-N 1 2 327.344 2.654 10 5 EFBELO Cc1noc(C[NH2+][C@@]2(CO)CC[C@@H](C)c3ccccc32)c1[N+](=O)[O-] ZINC001620670471 1099369219 /nfs/dbraw/zinc/36/92/19/1099369219.db2.gz QETYLTIXELJDLY-PIGZYNQJSA-N 1 2 331.372 2.766 10 5 EFBELO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC001626484285 1099880940 /nfs/dbraw/zinc/88/09/40/1099880940.db2.gz DKNKSWJGKVOQSY-GFCCVEGCSA-N 1 2 346.362 2.796 10 5 EFBELO O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)NCc1ccn2cc[nH+]c2c1 ZINC001631500899 1100405378 /nfs/dbraw/zinc/40/53/78/1100405378.db2.gz VGNLFFOHIAEOOQ-UHFFFAOYSA-N 1 2 344.758 2.755 10 5 EFBELO CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(-n3cc[nH+]c3)c(C)c2)n1 ZINC001632572643 1100485059 /nfs/dbraw/zinc/48/50/59/1100485059.db2.gz GUPUCPYXQUEQTD-UHFFFAOYSA-N 1 2 340.343 2.558 10 5 EFBELO CC[C@@H]1COCC[N@@H+]1CCNC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC001633942828 1100577047 /nfs/dbraw/zinc/57/70/47/1100577047.db2.gz KHSLCBBXSCWNBO-OAHLLOKOSA-N 1 2 349.431 2.559 10 5 EFBELO CC[C@@H]1COCC[N@H+]1CCNC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC001633942828 1100577054 /nfs/dbraw/zinc/57/70/54/1100577054.db2.gz KHSLCBBXSCWNBO-OAHLLOKOSA-N 1 2 349.431 2.559 10 5 EFBELO C[C@@H](C(=O)NCc1[nH]c2c([nH+]1)CCCC2)c1cccc([N+](=O)[O-])c1 ZINC001639300637 1100936121 /nfs/dbraw/zinc/93/61/21/1100936121.db2.gz VXQYXVRAKUFMIQ-LLVKDONJSA-N 1 2 328.372 2.617 10 5 EFBELO Cc1ccc(NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)c(N)c1[N+](=O)[O-] ZINC001639997496 1101002165 /nfs/dbraw/zinc/00/21/65/1101002165.db2.gz QHSMJAUREJAUCF-CYBMUJFWSA-N 1 2 331.376 2.908 10 5 EFBELO CCOC(=O)[C@H](CC)[N@H+](CCOc1ccccc1[N+](=O)[O-])C1CC1 ZINC001642776708 1101241581 /nfs/dbraw/zinc/24/15/81/1101241581.db2.gz CNQRVWUSKJNHLI-AWEZNQCLSA-N 1 2 336.388 2.780 10 5 EFBELO CCOC(=O)[C@H](CC)[N@@H+](CCOc1ccccc1[N+](=O)[O-])C1CC1 ZINC001642776708 1101241591 /nfs/dbraw/zinc/24/15/91/1101241591.db2.gz CNQRVWUSKJNHLI-AWEZNQCLSA-N 1 2 336.388 2.780 10 5 EFBELO C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1F ZINC001642914080 1101254814 /nfs/dbraw/zinc/25/48/14/1101254814.db2.gz ZNYOHMSRTMOCMU-INIZCTEOSA-N 1 2 329.331 2.650 10 5 EFBELO C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1F ZINC001642914080 1101254819 /nfs/dbraw/zinc/25/48/19/1101254819.db2.gz ZNYOHMSRTMOCMU-INIZCTEOSA-N 1 2 329.331 2.650 10 5 EFBELO CC[C@@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1noc(C)n1 ZINC001653240329 1101600989 /nfs/dbraw/zinc/60/09/89/1101600989.db2.gz LXSUIFNMWFAFIF-CYBMUJFWSA-N 1 2 347.375 2.664 10 5 EFBELO CS(C)(=O)=NCC1CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC001655642545 1101866276 /nfs/dbraw/zinc/86/62/76/1101866276.db2.gz NUQQGFPGPHJARP-UHFFFAOYSA-N 1 2 343.424 2.674 10 5 EFBELO CCc1[nH]c(CNc2ccc(C=CC(=O)OC)cc2[N+](=O)[O-])c[nH+]1 ZINC001655896665 1101907836 /nfs/dbraw/zinc/90/78/36/1101907836.db2.gz RQLAUSUJCBTPGQ-ALCCZGGFSA-N 1 2 330.344 2.679 10 5 EFBELO CCc1[nH]cc(CNc2ccc(C=CC(=O)OC)cc2[N+](=O)[O-])[nH+]1 ZINC001655896665 1101907845 /nfs/dbraw/zinc/90/78/45/1101907845.db2.gz RQLAUSUJCBTPGQ-ALCCZGGFSA-N 1 2 330.344 2.679 10 5 EFBELO O=C(C[N@@H+]1CC[C@H]2[C@@H](C1)C2(F)F)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001657864461 1102415395 /nfs/dbraw/zinc/41/53/95/1102415395.db2.gz DJTLLWHYCTZWEB-VHSXEESVSA-N 1 2 345.733 2.774 10 5 EFBELO O=C(C[N@H+]1CC[C@H]2[C@@H](C1)C2(F)F)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001657864461 1102415401 /nfs/dbraw/zinc/41/54/01/1102415401.db2.gz DJTLLWHYCTZWEB-VHSXEESVSA-N 1 2 345.733 2.774 10 5 EFBELO CCC[N@H+](CCNC(=O)C(C)(F)F)Cc1csc([N+](=O)[O-])c1 ZINC001266554251 1102725140 /nfs/dbraw/zinc/72/51/40/1102725140.db2.gz VLGVHMVXSZSNBQ-UHFFFAOYSA-N 1 2 335.376 2.640 10 5 EFBELO CCC[N@@H+](CCNC(=O)C(C)(F)F)Cc1csc([N+](=O)[O-])c1 ZINC001266554251 1102725151 /nfs/dbraw/zinc/72/51/51/1102725151.db2.gz VLGVHMVXSZSNBQ-UHFFFAOYSA-N 1 2 335.376 2.640 10 5 EFBELO Cc1cc(N(C)C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)ccn1 ZINC001266574454 1102817681 /nfs/dbraw/zinc/81/76/81/1102817681.db2.gz OBLCCWCTVPLULB-UHFFFAOYSA-N 1 2 337.339 2.761 10 5 EFBELO CC(C)(C)OC[C@H]1CCC[N@@H+]1Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000905725568 1103562695 /nfs/dbraw/zinc/56/26/95/1103562695.db2.gz WKXJWLYCCCQZTF-GFCCVEGCSA-N 1 2 349.387 2.740 10 5 EFBELO CC(C)(C)OC[C@H]1CCC[N@H+]1Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000905725568 1103562700 /nfs/dbraw/zinc/56/27/00/1103562700.db2.gz WKXJWLYCCCQZTF-GFCCVEGCSA-N 1 2 349.387 2.740 10 5 EFBELO CC(C)(C)OC[C@@H]1CCC[N@@H+]1Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000905731261 1103566060 /nfs/dbraw/zinc/56/60/60/1103566060.db2.gz WKXJWLYCCCQZTF-LBPRGKRZSA-N 1 2 349.387 2.740 10 5 EFBELO CC(C)(C)OC[C@@H]1CCC[N@H+]1Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000905731261 1103566065 /nfs/dbraw/zinc/56/60/65/1103566065.db2.gz WKXJWLYCCCQZTF-LBPRGKRZSA-N 1 2 349.387 2.740 10 5 EFBELO C[C@@H](Cn1cc[nH+]c1)NC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000906201670 1104001744 /nfs/dbraw/zinc/00/17/44/1104001744.db2.gz ZSELKJPRTWBVPT-NSHDSACASA-N 1 2 336.779 2.582 10 5 EFBELO CC[N@H+](CCNC(=O)CC1(C)CC1)Cc1csc([N+](=O)[O-])c1 ZINC001663404508 1104085217 /nfs/dbraw/zinc/08/52/17/1104085217.db2.gz VPPNDZLPUWIUMQ-UHFFFAOYSA-N 1 2 325.434 2.785 10 5 EFBELO CC[N@@H+](CCNC(=O)CC1(C)CC1)Cc1csc([N+](=O)[O-])c1 ZINC001663404508 1104085228 /nfs/dbraw/zinc/08/52/28/1104085228.db2.gz VPPNDZLPUWIUMQ-UHFFFAOYSA-N 1 2 325.434 2.785 10 5 EFBELO CC[N@H+](CCNC(=O)c1cc(C)co1)Cc1csc([N+](=O)[O-])c1 ZINC001663415603 1104091514 /nfs/dbraw/zinc/09/15/14/1104091514.db2.gz LOZBXPXDWLGQDJ-UHFFFAOYSA-N 1 2 337.401 2.810 10 5 EFBELO CC[N@@H+](CCNC(=O)c1cc(C)co1)Cc1csc([N+](=O)[O-])c1 ZINC001663415603 1104091525 /nfs/dbraw/zinc/09/15/25/1104091525.db2.gz LOZBXPXDWLGQDJ-UHFFFAOYSA-N 1 2 337.401 2.810 10 5 EFBELO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000898909933 1109130052 /nfs/dbraw/zinc/13/00/52/1109130052.db2.gz HOMHZVSFUWBEGR-RAXLEYEMSA-N 1 2 328.372 2.746 10 5 EFBELO CCc1cccnc1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001127319733 1111398116 /nfs/dbraw/zinc/39/81/16/1111398116.db2.gz ZTRQEIWDIDWXLW-UHFFFAOYSA-N 1 2 337.339 2.990 10 5 EFBELO Cc1c(C[N@@H+]2CCC[C@H]2C(=O)NCC(F)(F)F)cccc1[N+](=O)[O-] ZINC000054992029 214263762 /nfs/dbraw/zinc/26/37/62/214263762.db2.gz WVGJNTUXHAKQAZ-ZDUSSCGKSA-N 1 2 345.321 2.546 10 5 EFBELO Cc1c(C[N@H+]2CCC[C@H]2C(=O)NCC(F)(F)F)cccc1[N+](=O)[O-] ZINC000054992029 214263765 /nfs/dbraw/zinc/26/37/65/214263765.db2.gz WVGJNTUXHAKQAZ-ZDUSSCGKSA-N 1 2 345.321 2.546 10 5 EFBELO COc1ccc(Cl)cc1Nc1ncnc(-n2cc[nH+]c2)c1[N+](=O)[O-] ZINC000040589880 213354767 /nfs/dbraw/zinc/35/47/67/213354767.db2.gz NXEHOJYSYRQZKI-UHFFFAOYSA-N 1 2 346.734 2.976 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000183393667 235046021 /nfs/dbraw/zinc/04/60/21/235046021.db2.gz CBQCPEZZOHBDJC-SJORKVTESA-N 1 2 346.383 2.821 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000183393667 235046026 /nfs/dbraw/zinc/04/60/26/235046026.db2.gz CBQCPEZZOHBDJC-SJORKVTESA-N 1 2 346.383 2.821 10 5 EFBELO CN1CC[C@H]([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000339177120 283138982 /nfs/dbraw/zinc/13/89/82/283138982.db2.gz ZXBVGJGFVMPIIP-FUHWJXTLSA-N 1 2 327.384 2.835 10 5 EFBELO C[N@@H+]1CC[C@H](NCc2cc(O)ccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000339177120 283138987 /nfs/dbraw/zinc/13/89/87/283138987.db2.gz ZXBVGJGFVMPIIP-FUHWJXTLSA-N 1 2 327.384 2.835 10 5 EFBELO C[N@H+]1CC[C@H](NCc2cc(O)ccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000339177120 283138990 /nfs/dbraw/zinc/13/89/90/283138990.db2.gz ZXBVGJGFVMPIIP-FUHWJXTLSA-N 1 2 327.384 2.835 10 5 EFBELO Cc1ccc(C[N@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)o1 ZINC000073092619 216347655 /nfs/dbraw/zinc/34/76/55/216347655.db2.gz RJUYJSQJDUSJNI-UHFFFAOYSA-N 1 2 329.356 2.517 10 5 EFBELO Cc1ccc(C[N@@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)o1 ZINC000073092619 216347657 /nfs/dbraw/zinc/34/76/57/216347657.db2.gz RJUYJSQJDUSJNI-UHFFFAOYSA-N 1 2 329.356 2.517 10 5 EFBELO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCO[C@H]4CCCC[C@H]43)n2)c1 ZINC000230198299 242248054 /nfs/dbraw/zinc/24/80/54/242248054.db2.gz BJLCAZZXSGCWOB-CABCVRRESA-N 1 2 344.371 2.788 10 5 EFBELO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCO[C@H]4CCCC[C@H]43)n2)c1 ZINC000230198299 242248059 /nfs/dbraw/zinc/24/80/59/242248059.db2.gz BJLCAZZXSGCWOB-CABCVRRESA-N 1 2 344.371 2.788 10 5 EFBELO Cc1cnn(C[C@H]2C[N@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)CCO2)c1 ZINC000247021449 243352489 /nfs/dbraw/zinc/35/24/89/243352489.db2.gz CQWMEGBKWHPUCO-RHSMWYFYSA-N 1 2 330.388 2.562 10 5 EFBELO Cc1cnn(C[C@H]2C[N@@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)CCO2)c1 ZINC000247021449 243352496 /nfs/dbraw/zinc/35/24/96/243352496.db2.gz CQWMEGBKWHPUCO-RHSMWYFYSA-N 1 2 330.388 2.562 10 5 EFBELO COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000427474777 247357284 /nfs/dbraw/zinc/35/72/84/247357284.db2.gz WMQOVGLEUFBCQJ-UHFFFAOYSA-N 1 2 326.312 2.812 10 5 EFBELO C[C@H](O)C1CC[NH+](Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000092969677 218184037 /nfs/dbraw/zinc/18/40/37/218184037.db2.gz YWNVSXZLCGZMFE-JTQLQIEISA-N 1 2 343.221 2.950 10 5 EFBELO CCOc1cccc(C[N@H+](CCO)Cc2cc(O)ccc2[N+](=O)[O-])c1 ZINC000449763579 251146584 /nfs/dbraw/zinc/14/65/84/251146584.db2.gz SSZBBHFIUUHPAN-UHFFFAOYSA-N 1 2 346.383 2.694 10 5 EFBELO CCOc1cccc(C[N@@H+](CCO)Cc2cc(O)ccc2[N+](=O)[O-])c1 ZINC000449763579 251146585 /nfs/dbraw/zinc/14/65/85/251146585.db2.gz SSZBBHFIUUHPAN-UHFFFAOYSA-N 1 2 346.383 2.694 10 5 EFBELO O=C1C[C@H](c2ccccc2)[N@H+](Cc2ccc([N+](=O)[O-])cc2F)CCN1 ZINC000267027899 296349599 /nfs/dbraw/zinc/34/95/99/296349599.db2.gz LZLUENKEHHMDLY-QGZVFWFLSA-N 1 2 343.358 2.797 10 5 EFBELO O=C1C[C@H](c2ccccc2)[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)CCN1 ZINC000267027899 296349600 /nfs/dbraw/zinc/34/96/00/296349600.db2.gz LZLUENKEHHMDLY-QGZVFWFLSA-N 1 2 343.358 2.797 10 5 EFBELO C[C@@H](c1cccnc1)[NH+]1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000118836865 221191580 /nfs/dbraw/zinc/19/15/80/221191580.db2.gz LMOLRPRCRKLQGM-ZDUSSCGKSA-N 1 2 332.429 2.930 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)Cc1nc(-c2cccnc2)no1 ZINC000349974896 142386267 /nfs/dbraw/zinc/38/62/67/142386267.db2.gz XIDCIWWEYNVLLH-UHFFFAOYSA-N 1 2 339.355 2.980 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)Cc1nc(-c2cccnc2)no1 ZINC000349974896 142386269 /nfs/dbraw/zinc/38/62/69/142386269.db2.gz XIDCIWWEYNVLLH-UHFFFAOYSA-N 1 2 339.355 2.980 10 5 EFBELO C[C@H]([NH2+]Cc1cc(=O)n2ccsc2n1)c1ccccc1[N+](=O)[O-] ZINC000342289183 145094106 /nfs/dbraw/zinc/09/41/06/145094106.db2.gz BLNSBZMQASCLJH-JTQLQIEISA-N 1 2 330.369 2.515 10 5 EFBELO C[C@@H]([NH2+]Cc1nc2ccccc2c(=O)n1C)c1ccccc1[N+](=O)[O-] ZINC000343593935 145247803 /nfs/dbraw/zinc/24/78/03/145247803.db2.gz GQUHEGHLJRPHLK-GFCCVEGCSA-N 1 2 338.367 2.693 10 5 EFBELO CN(C)c1[nH+]cccc1CNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000351655104 146169735 /nfs/dbraw/zinc/16/97/35/146169735.db2.gz JCKHDSYXIZLSKG-UHFFFAOYSA-N 1 2 333.323 2.517 10 5 EFBELO COc1cc(C[NH2+][C@@H](CO)c2ccsc2)c([N+](=O)[O-])cc1F ZINC000352034354 146271455 /nfs/dbraw/zinc/27/14/55/146271455.db2.gz ZXLUJYCPSKMAGD-LBPRGKRZSA-N 1 2 326.349 2.627 10 5 EFBELO O=c1[nH]c2ccccc2cc1C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000352997488 146370133 /nfs/dbraw/zinc/37/01/33/146370133.db2.gz MPSAMFNXFIKKCS-UHFFFAOYSA-N 1 2 336.351 2.802 10 5 EFBELO O=c1[nH]c2ccccc2cc1C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000352997488 146370135 /nfs/dbraw/zinc/37/01/35/146370135.db2.gz MPSAMFNXFIKKCS-UHFFFAOYSA-N 1 2 336.351 2.802 10 5 EFBELO Cn1ccnc1[C@H]([NH2+]C[C@@H]1CCC(C)(C)O1)c1cccc([N+](=O)[O-])c1 ZINC000353678943 146537296 /nfs/dbraw/zinc/53/72/96/146537296.db2.gz FDBJJXZZQMWPRT-JKSUJKDBSA-N 1 2 344.415 2.965 10 5 EFBELO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCO[C@H](C(=O)C2CC2)C1 ZINC000356308206 147207135 /nfs/dbraw/zinc/20/71/35/147207135.db2.gz SOUZXIMBFIPQBO-VEMDQMBVSA-N 1 2 330.384 2.678 10 5 EFBELO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCO[C@H](C(=O)C2CC2)C1 ZINC000356308206 147207138 /nfs/dbraw/zinc/20/71/38/147207138.db2.gz SOUZXIMBFIPQBO-VEMDQMBVSA-N 1 2 330.384 2.678 10 5 EFBELO COc1cc(NCc2[nH+]ccn2CC(F)(F)F)ccc1[N+](=O)[O-] ZINC000359500795 148102597 /nfs/dbraw/zinc/10/25/97/148102597.db2.gz XMNYEBVCKBPIJV-UHFFFAOYSA-N 1 2 330.266 2.974 10 5 EFBELO CC[C@@H](C)[NH2+][C@@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])c1ccco1 ZINC000359556263 148121478 /nfs/dbraw/zinc/12/14/78/148121478.db2.gz LVCNWRHBYMNWFZ-RISCZKNCSA-N 1 2 347.371 2.753 10 5 EFBELO O=[N+]([O-])c1ccc(C[N@@H+]2CCO[C@@H](COc3ccccc3)C2)cc1 ZINC000361657610 148671095 /nfs/dbraw/zinc/67/10/95/148671095.db2.gz CXUCYGUNJVMGIE-GOSISDBHSA-N 1 2 328.368 2.875 10 5 EFBELO O=[N+]([O-])c1ccc(C[N@H+]2CCO[C@@H](COc3ccccc3)C2)cc1 ZINC000361657610 148671096 /nfs/dbraw/zinc/67/10/96/148671096.db2.gz CXUCYGUNJVMGIE-GOSISDBHSA-N 1 2 328.368 2.875 10 5 EFBELO COc1ccc(C[NH2+][C@H](C)c2nnc3n2CCCCC3)cc1[N+](=O)[O-] ZINC000369087803 150272485 /nfs/dbraw/zinc/27/24/85/150272485.db2.gz MYCUPIWQEJDLBZ-GFCCVEGCSA-N 1 2 345.403 2.772 10 5 EFBELO COc1cc(C[N@@H+]2CCN(CC(F)(F)F)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000352767883 286219003 /nfs/dbraw/zinc/21/90/03/286219003.db2.gz GYDUDURSZYKSBD-NSHDSACASA-N 1 2 347.337 2.672 10 5 EFBELO COc1cc(C[N@H+]2CCN(CC(F)(F)F)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000352767883 286219005 /nfs/dbraw/zinc/21/90/05/286219005.db2.gz GYDUDURSZYKSBD-NSHDSACASA-N 1 2 347.337 2.672 10 5 EFBELO Cc1sc(C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000373073397 151109529 /nfs/dbraw/zinc/10/95/29/151109529.db2.gz DFBORMVQYFTKNU-NSHDSACASA-N 1 2 334.401 2.718 10 5 EFBELO C[C@@H]1C[C@@]2(CCO1)C[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])C[C@H](C)O2 ZINC000373965840 151259320 /nfs/dbraw/zinc/25/93/20/151259320.db2.gz ALGDWLVSVUUKBN-IGCXYCKISA-N 1 2 338.379 2.892 10 5 EFBELO C[C@@H]1C[C@@]2(CCO1)C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])C[C@H](C)O2 ZINC000373965840 151259322 /nfs/dbraw/zinc/25/93/22/151259322.db2.gz ALGDWLVSVUUKBN-IGCXYCKISA-N 1 2 338.379 2.892 10 5 EFBELO CCc1nnc(C2CC[NH+](Cc3ccc([N+](=O)[O-])c(F)c3)CC2)[nH]1 ZINC000374551470 151368496 /nfs/dbraw/zinc/36/84/96/151368496.db2.gz TZZIDRPEBJQUDE-UHFFFAOYSA-N 1 2 333.367 2.794 10 5 EFBELO CCc1n[nH]c(C2CC[NH+](Cc3ccc([N+](=O)[O-])c(F)c3)CC2)n1 ZINC000374551470 151368497 /nfs/dbraw/zinc/36/84/97/151368497.db2.gz TZZIDRPEBJQUDE-UHFFFAOYSA-N 1 2 333.367 2.794 10 5 EFBELO CCc1nc(C2CC[NH+](Cc3ccc([N+](=O)[O-])c(F)c3)CC2)n[nH]1 ZINC000374551470 151368500 /nfs/dbraw/zinc/36/85/00/151368500.db2.gz TZZIDRPEBJQUDE-UHFFFAOYSA-N 1 2 333.367 2.794 10 5 EFBELO CCc1ccc(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1[N+](=O)[O-] ZINC000378081974 152004485 /nfs/dbraw/zinc/00/44/85/152004485.db2.gz FPTJWUQWKIWECC-UHFFFAOYSA-N 1 2 328.372 2.900 10 5 EFBELO CCc1ccc(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000378081974 152004489 /nfs/dbraw/zinc/00/44/89/152004489.db2.gz FPTJWUQWKIWECC-UHFFFAOYSA-N 1 2 328.372 2.900 10 5 EFBELO Cc1cnn(C[C@H]2C[N@H+](C/C=C/c3ccccc3[N+](=O)[O-])CCO2)c1 ZINC000122371492 222073118 /nfs/dbraw/zinc/07/31/18/222073118.db2.gz LWBFCMFODWYEIU-UKINESCASA-N 1 2 342.399 2.514 10 5 EFBELO Cc1cnn(C[C@H]2C[N@@H+](C/C=C/c3ccccc3[N+](=O)[O-])CCO2)c1 ZINC000122371492 222073121 /nfs/dbraw/zinc/07/31/21/222073121.db2.gz LWBFCMFODWYEIU-UKINESCASA-N 1 2 342.399 2.514 10 5 EFBELO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC(OCC(C)C)CC1 ZINC000054323371 292649506 /nfs/dbraw/zinc/64/95/06/292649506.db2.gz WZJJSFJESGCMCM-UHFFFAOYSA-N 1 2 349.431 2.979 10 5 EFBELO CCC1(CC)C[N@H+](CCOc2ccccc2[N+](=O)[O-])CC[S@@]1=O ZINC000185229381 265038391 /nfs/dbraw/zinc/03/83/91/265038391.db2.gz AOMBQTKHGZCZOD-QHCPKHFHSA-N 1 2 340.445 2.597 10 5 EFBELO CCC1(CC)C[N@@H+](CCOc2ccccc2[N+](=O)[O-])CC[S@@]1=O ZINC000185229381 265038393 /nfs/dbraw/zinc/03/83/93/265038393.db2.gz AOMBQTKHGZCZOD-QHCPKHFHSA-N 1 2 340.445 2.597 10 5 EFBELO O=[N+]([O-])c1ccc(C[NH2+]Cc2nc(COc3ccccc3)n[nH]2)cc1 ZINC000185753413 265048860 /nfs/dbraw/zinc/04/88/60/265048860.db2.gz VAFCETMPVSIUJP-UHFFFAOYSA-N 1 2 339.355 2.582 10 5 EFBELO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000276577103 267016175 /nfs/dbraw/zinc/01/61/75/267016175.db2.gz LCSSOYMNVCPQLX-UHFFFAOYSA-N 1 2 348.790 2.948 10 5 EFBELO C[C@@H]1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1n1cc[nH+]c1 ZINC000278428539 267438634 /nfs/dbraw/zinc/43/86/34/267438634.db2.gz JECKEEQTXKYYAM-ABAIWWIYSA-N 1 2 326.360 2.755 10 5 EFBELO Cn1cc([C@H]2CCC[N@@H+]2Cc2nc3cc([N+](=O)[O-])ccc3o2)cn1 ZINC000177047169 273035989 /nfs/dbraw/zinc/03/59/89/273035989.db2.gz VWEVIIALEKRZFR-CQSZACIVSA-N 1 2 327.344 2.807 10 5 EFBELO Cn1cc([C@H]2CCC[N@H+]2Cc2nc3cc([N+](=O)[O-])ccc3o2)cn1 ZINC000177047169 273035990 /nfs/dbraw/zinc/03/59/90/273035990.db2.gz VWEVIIALEKRZFR-CQSZACIVSA-N 1 2 327.344 2.807 10 5 EFBELO Cn1c2c([nH+]c1[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)CCCC2 ZINC000279270052 273195757 /nfs/dbraw/zinc/19/57/57/273195757.db2.gz WDNAFUHBTPPWIZ-CYBMUJFWSA-N 1 2 344.371 2.777 10 5 EFBELO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000286567046 274226436 /nfs/dbraw/zinc/22/64/36/274226436.db2.gz PKBQGDLLGDDDKW-LLVKDONJSA-N 1 2 338.307 2.584 10 5 EFBELO COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000286567046 274226438 /nfs/dbraw/zinc/22/64/38/274226438.db2.gz PKBQGDLLGDDDKW-LLVKDONJSA-N 1 2 338.307 2.584 10 5 EFBELO COC(=O)c1ccc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)nc1 ZINC000286631850 274239619 /nfs/dbraw/zinc/23/96/19/274239619.db2.gz ZIYUQGVERUJKPB-UHFFFAOYSA-N 1 2 341.367 2.941 10 5 EFBELO COC(=O)c1ccc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)nc1 ZINC000286631850 274239620 /nfs/dbraw/zinc/23/96/20/274239620.db2.gz ZIYUQGVERUJKPB-UHFFFAOYSA-N 1 2 341.367 2.941 10 5 EFBELO CNC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000371869812 277246870 /nfs/dbraw/zinc/24/68/70/277246870.db2.gz KOWQDNBDZBDDQT-SFHVURJKSA-N 1 2 339.395 2.576 10 5 EFBELO CNC(=O)[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000371869812 277246871 /nfs/dbraw/zinc/24/68/71/277246871.db2.gz KOWQDNBDZBDDQT-SFHVURJKSA-N 1 2 339.395 2.576 10 5 EFBELO COc1cc(N2CCN(c3c[nH+]ccc3C)CC2)c([N+](=O)[O-])cc1F ZINC000359931610 277825997 /nfs/dbraw/zinc/82/59/97/277825997.db2.gz LRJYXPZTABICII-UHFFFAOYSA-N 1 2 346.362 2.773 10 5 EFBELO COc1cccc(C(=O)Nc2ccc3[nH+]c(C)cn3c2)c1[N+](=O)[O-] ZINC000435736366 278008238 /nfs/dbraw/zinc/00/82/38/278008238.db2.gz WXUGYVBJZZANTL-UHFFFAOYSA-N 1 2 326.312 2.812 10 5 EFBELO Cc1ccccc1[C@H]1C(=O)NCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000355518487 281390068 /nfs/dbraw/zinc/39/00/68/281390068.db2.gz UCBKBBFRLNWBDS-SFHVURJKSA-N 1 2 339.395 2.885 10 5 EFBELO Cc1ccccc1[C@H]1C(=O)NCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000355518487 281390071 /nfs/dbraw/zinc/39/00/71/281390071.db2.gz UCBKBBFRLNWBDS-SFHVURJKSA-N 1 2 339.395 2.885 10 5 EFBELO C[C@H](NC(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21)c1ccccc1[N+](=O)[O-] ZINC000454779105 289889230 /nfs/dbraw/zinc/88/92/30/289889230.db2.gz ZXTWJUIMOPXNCF-MDZLAQPJSA-N 1 2 329.360 2.858 10 5 EFBELO Cc1nc(C[N@@H+]2CCCN(c3nc(C)ccc3[N+](=O)[O-])CC2)cs1 ZINC000124777996 293263608 /nfs/dbraw/zinc/26/36/08/293263608.db2.gz LILBJIVKRROSJF-UHFFFAOYSA-N 1 2 347.444 2.775 10 5 EFBELO Cc1nc(C[N@H+]2CCCN(c3nc(C)ccc3[N+](=O)[O-])CC2)cs1 ZINC000124777996 293263610 /nfs/dbraw/zinc/26/36/10/293263610.db2.gz LILBJIVKRROSJF-UHFFFAOYSA-N 1 2 347.444 2.775 10 5 EFBELO CN(C(=O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000153086096 293360030 /nfs/dbraw/zinc/36/00/30/293360030.db2.gz BQPSECVNIZJMBV-UHFFFAOYSA-N 1 2 325.368 2.616 10 5 EFBELO CN(C(=O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000153086096 293360033 /nfs/dbraw/zinc/36/00/33/293360033.db2.gz BQPSECVNIZJMBV-UHFFFAOYSA-N 1 2 325.368 2.616 10 5 EFBELO O=C1[C@@H]([N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CCN1c1ccccc1 ZINC000153179272 293364429 /nfs/dbraw/zinc/36/44/29/293364429.db2.gz ROWSLWYAVDGGAT-SFHVURJKSA-N 1 2 337.379 2.758 10 5 EFBELO O=C1[C@@H]([N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CCN1c1ccccc1 ZINC000153179272 293364431 /nfs/dbraw/zinc/36/44/31/293364431.db2.gz ROWSLWYAVDGGAT-SFHVURJKSA-N 1 2 337.379 2.758 10 5 EFBELO C[C@H](C1CC1)N(C(=O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)C1CC1 ZINC000153225230 293366808 /nfs/dbraw/zinc/36/68/08/293366808.db2.gz YDZYWPUARCNYLY-CYBMUJFWSA-N 1 2 343.427 2.742 10 5 EFBELO C[C@H](C1CC1)N(C(=O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)C1CC1 ZINC000153225230 293366810 /nfs/dbraw/zinc/36/68/10/293366810.db2.gz YDZYWPUARCNYLY-CYBMUJFWSA-N 1 2 343.427 2.742 10 5 EFBELO Cc1nc(N2CCC[C@@H]2c2[nH]c3c([nH+]2)CCCC3)ncc1[N+](=O)[O-] ZINC000294877105 295239940 /nfs/dbraw/zinc/23/99/40/295239940.db2.gz FGWPAMDECMTODU-CYBMUJFWSA-N 1 2 328.376 2.637 10 5 EFBELO Cc1noc(CCNc2cc(C)[nH+]c(-c3cccc([N+](=O)[O-])c3)n2)n1 ZINC000301230466 311125497 /nfs/dbraw/zinc/12/54/97/311125497.db2.gz JEIMPLKWSVXDFO-UHFFFAOYSA-N 1 2 340.343 2.706 10 5 EFBELO Cc1cc(N(C)Cc2cnccn2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000301255440 311127061 /nfs/dbraw/zinc/12/70/61/311127061.db2.gz BGHISUHZYCLXDA-UHFFFAOYSA-N 1 2 336.355 2.787 10 5 EFBELO COc1cc(F)c([N+](=O)[O-])c(NCc2ccc(-n3cc[nH+]c3)nc2)c1 ZINC000301367599 311134027 /nfs/dbraw/zinc/13/40/27/311134027.db2.gz SVAYVOZYWNXOON-UHFFFAOYSA-N 1 2 343.318 2.935 10 5 EFBELO O=[N+]([O-])c1ccc(N2CC[C@H]([NH+]3CCOCC3)C2)cc1C(F)(F)F ZINC000301461328 311138630 /nfs/dbraw/zinc/13/86/30/311138630.db2.gz DSSHVTZLCBJGTQ-LBPRGKRZSA-N 1 2 345.321 2.525 10 5 EFBELO CN(C)c1ccc(Nc2ncc(Br)cc2[N+](=O)[O-])c[nH+]1 ZINC000301673263 311151439 /nfs/dbraw/zinc/15/14/39/311151439.db2.gz GIPYXFMFJRETDY-UHFFFAOYSA-N 1 2 338.165 2.957 10 5 EFBELO Cc1cc(NCC[C@@H](C)[S@@](C)=O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301690487 311152541 /nfs/dbraw/zinc/15/25/41/311152541.db2.gz KAQLXXASNJFJKR-OIRASMEMSA-N 1 2 348.428 2.929 10 5 EFBELO COc1cc(N[C@H]2CCN(c3cccc[nH+]3)C2)c([N+](=O)[O-])cc1F ZINC000301787590 311158138 /nfs/dbraw/zinc/15/81/38/311158138.db2.gz XERMJTCDXNSRJC-NSHDSACASA-N 1 2 332.335 2.828 10 5 EFBELO O=[N+]([O-])c1cnc2ccc(NCc3cn4cc(Cl)ccc4[nH+]3)nn21 ZINC000301831468 311161403 /nfs/dbraw/zinc/16/14/03/311161403.db2.gz IJTPBDYFENZJFL-UHFFFAOYSA-N 1 2 343.734 2.551 10 5 EFBELO CC(C)c1[nH+]c2c(n1C)CCN(c1cc(CO)ccc1[N+](=O)[O-])C2 ZINC000302029442 311173362 /nfs/dbraw/zinc/17/33/62/311173362.db2.gz JHVRPGJIOIKLAO-UHFFFAOYSA-N 1 2 330.388 2.507 10 5 EFBELO COC(=O)c1ccc([N+](=O)[O-])c(NCCc2cn3ccccc3[nH+]2)c1 ZINC000302098624 311177752 /nfs/dbraw/zinc/17/77/52/311177752.db2.gz PAMIKZHYHRMGDF-UHFFFAOYSA-N 1 2 340.339 2.684 10 5 EFBELO Cc1cc([N+](=O)[O-])cc(Cl)c1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000302816816 311202480 /nfs/dbraw/zinc/20/24/80/311202480.db2.gz INRNBMWDYMSTAV-SWLSCSKDSA-N 1 2 339.823 2.714 10 5 EFBELO Cn1c[nH+]c(CCNc2ccc(Br)cc2[N+](=O)[O-])c1 ZINC000313457251 311232714 /nfs/dbraw/zinc/23/27/14/311232714.db2.gz ZSJWHWWXVZNYJG-UHFFFAOYSA-N 1 2 325.166 2.745 10 5 EFBELO Cc1cc(N[C@H]2COCC2(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000450853329 312759175 /nfs/dbraw/zinc/75/91/75/312759175.db2.gz HKYOKQUHTRUIGA-AWEZNQCLSA-N 1 2 328.372 2.619 10 5 EFBELO COC(=O)c1cc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c(C)o1 ZINC000532038604 317346448 /nfs/dbraw/zinc/34/64/48/317346448.db2.gz CJSSXBSHRGMESY-UHFFFAOYSA-N 1 2 330.340 2.841 10 5 EFBELO COC(=O)c1cc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c(C)o1 ZINC000532038604 317346449 /nfs/dbraw/zinc/34/64/49/317346449.db2.gz CJSSXBSHRGMESY-UHFFFAOYSA-N 1 2 330.340 2.841 10 5 EFBELO O=[N+]([O-])c1ccc(N2CC[NH+](CCc3cccc(F)c3F)CC2)cn1 ZINC000541281831 317771969 /nfs/dbraw/zinc/77/19/69/317771969.db2.gz FYXDWWFKBKNYOM-UHFFFAOYSA-N 1 2 348.353 2.633 10 5 EFBELO Cn1ccnc1[C@@H]([NH2+]CCOC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000560546532 318564617 /nfs/dbraw/zinc/56/46/17/318564617.db2.gz VBPUVXJPSOJOHF-HNNXBMFYSA-N 1 2 332.404 2.822 10 5 EFBELO CC(C)(NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000566364449 319067518 /nfs/dbraw/zinc/06/75/18/319067518.db2.gz QWDNZZLXTBAAKD-UHFFFAOYSA-N 1 2 340.286 2.584 10 5 EFBELO C[C@@H](C(=O)NCc1ccc[nH+]c1N(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000185006744 323380142 /nfs/dbraw/zinc/38/01/42/323380142.db2.gz MFTHQTQOKHKAGV-LLVKDONJSA-N 1 2 346.362 2.615 10 5 EFBELO CC[C@@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1nccs1 ZINC000161163457 473213161 /nfs/dbraw/zinc/21/31/61/473213161.db2.gz JTVGLONQKAGMCE-ZIAGYGMSSA-N 1 2 346.412 2.898 10 5 EFBELO C[C@H](O)CNc1[nH+]c2ccccc2n1Cc1c(F)cccc1[N+](=O)[O-] ZINC000505564366 467939750 /nfs/dbraw/zinc/93/97/50/467939750.db2.gz NAYZOUBUWKDXOW-NSHDSACASA-N 1 2 344.346 2.925 10 5 EFBELO CCc1nnc(C2CC[NH+](Cc3c(F)cccc3[N+](=O)[O-])CC2)[nH]1 ZINC000190647505 473345209 /nfs/dbraw/zinc/34/52/09/473345209.db2.gz KDLSKOMNFHTOBJ-UHFFFAOYSA-N 1 2 333.367 2.794 10 5 EFBELO CCc1n[nH]c(C2CC[NH+](Cc3c(F)cccc3[N+](=O)[O-])CC2)n1 ZINC000190647505 473345215 /nfs/dbraw/zinc/34/52/15/473345215.db2.gz KDLSKOMNFHTOBJ-UHFFFAOYSA-N 1 2 333.367 2.794 10 5 EFBELO CCc1nc(C2CC[NH+](Cc3c(F)cccc3[N+](=O)[O-])CC2)n[nH]1 ZINC000190647505 473345221 /nfs/dbraw/zinc/34/52/21/473345221.db2.gz KDLSKOMNFHTOBJ-UHFFFAOYSA-N 1 2 333.367 2.794 10 5 EFBELO COCc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000125262585 473383408 /nfs/dbraw/zinc/38/34/08/473383408.db2.gz XDPLPSODJMVJJH-OCCSQVGLSA-N 1 2 345.403 2.827 10 5 EFBELO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CC(=O)NCc1cccs1 ZINC000016420230 471935257 /nfs/dbraw/zinc/93/52/57/471935257.db2.gz WJXHLPNSAPJATI-GFCCVEGCSA-N 1 2 333.413 2.966 10 5 EFBELO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CC(=O)NCc1cccs1 ZINC000016420230 471935260 /nfs/dbraw/zinc/93/52/60/471935260.db2.gz WJXHLPNSAPJATI-GFCCVEGCSA-N 1 2 333.413 2.966 10 5 EFBELO C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1ccc(F)cc1 ZINC000053778964 472034618 /nfs/dbraw/zinc/03/46/18/472034618.db2.gz KDCCVDSSRQMLDG-UHFFFAOYSA-N 1 2 343.358 2.755 10 5 EFBELO C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1ccc(F)cc1 ZINC000053778964 472034623 /nfs/dbraw/zinc/03/46/23/472034623.db2.gz KDCCVDSSRQMLDG-UHFFFAOYSA-N 1 2 343.358 2.755 10 5 EFBELO C[C@H](O)CNc1[nH+]c2ccccc2n1Cc1ccccc1[N+](=O)[O-] ZINC000068938847 472268616 /nfs/dbraw/zinc/26/86/16/472268616.db2.gz DXNXRTIBMMEYPX-LBPRGKRZSA-N 1 2 326.356 2.786 10 5 EFBELO C[C@@H](c1ccccc1Cl)[NH+]1CCN(c2c([N+](=O)[O-])ncn2C)CC1 ZINC000029530211 472280863 /nfs/dbraw/zinc/28/08/63/472280863.db2.gz QNPCLAJXWSEAHW-LBPRGKRZSA-N 1 2 349.822 2.865 10 5 EFBELO CC(=O)c1ccc(NCc2cccnc2-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000029585136 472282150 /nfs/dbraw/zinc/28/21/50/472282150.db2.gz IPCCPVMQASEIEU-UHFFFAOYSA-N 1 2 337.339 2.990 10 5 EFBELO O=[N+]([O-])c1ccc(NCc2cccnc2-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000030587480 472341836 /nfs/dbraw/zinc/34/18/36/472341836.db2.gz ZNDHDRAMRKBRSZ-UHFFFAOYSA-N 1 2 340.299 2.696 10 5 EFBELO Cc1ccc(C(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000046618525 472577741 /nfs/dbraw/zinc/57/77/41/472577741.db2.gz CGXSHZWLRMDBAV-UHFFFAOYSA-N 1 2 340.383 2.697 10 5 EFBELO Cc1cc(C)n(C[C@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3C)CCO2)n1 ZINC000105893814 472799708 /nfs/dbraw/zinc/79/97/08/472799708.db2.gz HUPUWLIBTIMRIM-QGZVFWFLSA-N 1 2 344.415 2.618 10 5 EFBELO Cc1cc(C)n(C[C@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3C)CCO2)n1 ZINC000105893814 472799714 /nfs/dbraw/zinc/79/97/14/472799714.db2.gz HUPUWLIBTIMRIM-QGZVFWFLSA-N 1 2 344.415 2.618 10 5 EFBELO Cc1cnc(CC[N@@H+](C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])s1 ZINC000157419294 472818614 /nfs/dbraw/zinc/81/86/14/472818614.db2.gz BZYVSUKPMPLWLL-UHFFFAOYSA-N 1 2 348.428 2.781 10 5 EFBELO Cc1cnc(CC[N@H+](C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])s1 ZINC000157419294 472818620 /nfs/dbraw/zinc/81/86/20/472818620.db2.gz BZYVSUKPMPLWLL-UHFFFAOYSA-N 1 2 348.428 2.781 10 5 EFBELO CN(C)c1[nH+]cccc1N(C)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000079721837 472913210 /nfs/dbraw/zinc/91/32/10/472913210.db2.gz PSCHOFBMXICLPN-UHFFFAOYSA-N 1 2 346.412 2.811 10 5 EFBELO C[C@@H](c1cccnc1)[NH+]1CCN(Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000093413102 473103694 /nfs/dbraw/zinc/10/36/94/473103694.db2.gz KDQIOLAZBJMSDT-AWEZNQCLSA-N 1 2 342.399 2.574 10 5 EFBELO CCN(CC)C(=O)N1CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000052639100 473134208 /nfs/dbraw/zinc/13/42/08/473134208.db2.gz BWNUOTVQMUPMGN-AWEZNQCLSA-N 1 2 334.420 2.735 10 5 EFBELO C[C@@H]1CN(c2ccc(Nc3ccncc3[N+](=O)[O-])c[nH+]2)C[C@@H](C)O1 ZINC000066809248 473156065 /nfs/dbraw/zinc/15/60/65/473156065.db2.gz FRYMYYOVNZJJIM-VXGBXAGGSA-N 1 2 329.360 2.742 10 5 EFBELO C[C@@H]1CN(c2ccc(Nc3ccncc3[N+](=O)[O-])c[nH+]2)C[C@H](C)O1 ZINC000066809242 473156908 /nfs/dbraw/zinc/15/69/08/473156908.db2.gz FRYMYYOVNZJJIM-TXEJJXNPSA-N 1 2 329.360 2.742 10 5 EFBELO Cc1sc(C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000125691359 473446935 /nfs/dbraw/zinc/44/69/35/473446935.db2.gz FFYHWIPMXPYJGO-GXFFZTMASA-N 1 2 334.401 2.885 10 5 EFBELO CCOc1ccc(C(=O)NCc2ccn3cc[nH+]c3c2)cc1[N+](=O)[O-] ZINC000178369780 473501405 /nfs/dbraw/zinc/50/14/05/473501405.db2.gz ZXWBZIBRDWSIDW-UHFFFAOYSA-N 1 2 340.339 2.571 10 5 EFBELO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000126763685 473543676 /nfs/dbraw/zinc/54/36/76/473543676.db2.gz XHAJUPVVBYHGPB-GOSISDBHSA-N 1 2 344.367 2.753 10 5 EFBELO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000126763685 473543679 /nfs/dbraw/zinc/54/36/79/473543679.db2.gz XHAJUPVVBYHGPB-GOSISDBHSA-N 1 2 344.367 2.753 10 5 EFBELO O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000126842985 473551247 /nfs/dbraw/zinc/55/12/47/473551247.db2.gz GVFWSDRAPNPRLV-CYBMUJFWSA-N 1 2 347.758 2.937 10 5 EFBELO CN(C)c1[nH+]cccc1CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000193917534 473820924 /nfs/dbraw/zinc/82/09/24/473820924.db2.gz QNZDEIBPZQZNFO-UHFFFAOYSA-N 1 2 341.371 2.553 10 5 EFBELO Cc1cc(N2CC[NH+](Cc3ccc(Cl)c([N+](=O)[O-])c3)CC2)n[nH]1 ZINC000187231825 473842858 /nfs/dbraw/zinc/84/28/58/473842858.db2.gz MNAREOSQMHUSEL-UHFFFAOYSA-N 1 2 335.795 2.602 10 5 EFBELO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCO[C@H](c3cccs3)C2)c1 ZINC000269654223 473852597 /nfs/dbraw/zinc/85/25/97/473852597.db2.gz NXVUHTONBUVCAV-GJZGRUSLSA-N 1 2 334.397 2.763 10 5 EFBELO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCO[C@H](c3cccs3)C2)c1 ZINC000269654223 473852604 /nfs/dbraw/zinc/85/26/04/473852604.db2.gz NXVUHTONBUVCAV-GJZGRUSLSA-N 1 2 334.397 2.763 10 5 EFBELO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCO[C@@H](c3cccs3)C2)c1 ZINC000269654224 473853211 /nfs/dbraw/zinc/85/32/11/473853211.db2.gz NXVUHTONBUVCAV-HUUCEWRRSA-N 1 2 334.397 2.763 10 5 EFBELO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCO[C@@H](c3cccs3)C2)c1 ZINC000269654224 473853218 /nfs/dbraw/zinc/85/32/18/473853218.db2.gz NXVUHTONBUVCAV-HUUCEWRRSA-N 1 2 334.397 2.763 10 5 EFBELO C[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000173990973 473969822 /nfs/dbraw/zinc/96/98/22/473969822.db2.gz AJBPQYLBRJDECU-SECBINFHSA-N 1 2 342.193 2.780 10 5 EFBELO C[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000173990973 473969825 /nfs/dbraw/zinc/96/98/25/473969825.db2.gz AJBPQYLBRJDECU-SECBINFHSA-N 1 2 342.193 2.780 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(C(=O)c2ccccc2)CC1 ZINC000183207658 474350767 /nfs/dbraw/zinc/35/07/67/474350767.db2.gz QUOFISZTCIJQDC-UHFFFAOYSA-N 1 2 339.395 2.861 10 5 EFBELO CO[C@H](C)c1noc(C[N@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])n1 ZINC000271224318 474450866 /nfs/dbraw/zinc/45/08/66/474450866.db2.gz QEAWMJCCYOGIJL-WAFBPQNNSA-N 1 2 332.360 2.830 10 5 EFBELO CO[C@H](C)c1noc(C[N@@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])n1 ZINC000271224318 474450872 /nfs/dbraw/zinc/45/08/72/474450872.db2.gz QEAWMJCCYOGIJL-WAFBPQNNSA-N 1 2 332.360 2.830 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(Cc2ccncc2)CC1 ZINC000184715700 474593151 /nfs/dbraw/zinc/59/31/51/474593151.db2.gz VMPTZYMEFBXXPT-UHFFFAOYSA-N 1 2 326.400 2.616 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1CN1CC[NH+](Cc2ccncc2)CC1 ZINC000184715700 474593157 /nfs/dbraw/zinc/59/31/57/474593157.db2.gz VMPTZYMEFBXXPT-UHFFFAOYSA-N 1 2 326.400 2.616 10 5 EFBELO C[C@H](NC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000609139325 480117927 /nfs/dbraw/zinc/11/79/27/480117927.db2.gz BHWGBEFAHXKJMU-XJKSGUPXSA-N 1 2 343.387 2.899 10 5 EFBELO O=C(C[N@@H+]1CC[C@H](CC(F)(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000278576356 474714475 /nfs/dbraw/zinc/71/44/75/474714475.db2.gz CJZBGUNSHMLZEF-SNVBAGLBSA-N 1 2 331.294 2.808 10 5 EFBELO O=C(C[N@H+]1CC[C@H](CC(F)(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000278576356 474714484 /nfs/dbraw/zinc/71/44/84/474714484.db2.gz CJZBGUNSHMLZEF-SNVBAGLBSA-N 1 2 331.294 2.808 10 5 EFBELO C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C[C@H]1COc2ccccc2O1 ZINC000338902950 474717968 /nfs/dbraw/zinc/71/79/68/474717968.db2.gz SXWPWRJYPFTWML-AWEZNQCLSA-N 1 2 330.340 2.572 10 5 EFBELO C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C[C@H]1COc2ccccc2O1 ZINC000338902950 474717977 /nfs/dbraw/zinc/71/79/77/474717977.db2.gz SXWPWRJYPFTWML-AWEZNQCLSA-N 1 2 330.340 2.572 10 5 EFBELO Cc1cnn(C[C@H]2C[N@H+](C/C=C\c3ccccc3[N+](=O)[O-])CCO2)c1 ZINC000255112815 474804603 /nfs/dbraw/zinc/80/46/03/474804603.db2.gz LWBFCMFODWYEIU-XQDHMALISA-N 1 2 342.399 2.514 10 5 EFBELO Cc1cnn(C[C@H]2C[N@@H+](C/C=C\c3ccccc3[N+](=O)[O-])CCO2)c1 ZINC000255112815 474804612 /nfs/dbraw/zinc/80/46/12/474804612.db2.gz LWBFCMFODWYEIU-XQDHMALISA-N 1 2 342.399 2.514 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(c2ncccc2F)CC1 ZINC000273391306 474874355 /nfs/dbraw/zinc/87/43/55/474874355.db2.gz DRLRTCGOAXYDFD-UHFFFAOYSA-N 1 2 330.363 2.760 10 5 EFBELO C[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccc(-n2ccnn2)cc1 ZINC000339073962 474901358 /nfs/dbraw/zinc/90/13/58/474901358.db2.gz CTWVBRZCPROWOW-GFCCVEGCSA-N 1 2 339.355 2.732 10 5 EFBELO C[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccc([S@](C)=O)cc1 ZINC000339074075 474902045 /nfs/dbraw/zinc/90/20/45/474902045.db2.gz ILOBVGHQNDDWBM-RULNZOCKSA-N 1 2 334.397 2.889 10 5 EFBELO C[S@](=O)C[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccccc1 ZINC000339073459 474902353 /nfs/dbraw/zinc/90/23/53/474902353.db2.gz YZHLZIZPTGMYCY-CMJOXMDJSA-N 1 2 334.397 2.510 10 5 EFBELO CC[NH+]1CCN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CC1 ZINC000279127132 474961497 /nfs/dbraw/zinc/96/14/97/474961497.db2.gz WLRFOIUXLDMINW-UHFFFAOYSA-N 1 2 335.407 2.871 10 5 EFBELO O=[N+]([O-])c1ccc(C[N@@H+]2CCO[C@@]3(CCCOC3)C2)c(Cl)c1 ZINC000285328754 474975101 /nfs/dbraw/zinc/97/51/01/474975101.db2.gz NRVSSXDOUZFCMV-HNNXBMFYSA-N 1 2 326.780 2.630 10 5 EFBELO O=[N+]([O-])c1ccc(C[N@H+]2CCO[C@@]3(CCCOC3)C2)c(Cl)c1 ZINC000285328754 474975106 /nfs/dbraw/zinc/97/51/06/474975106.db2.gz NRVSSXDOUZFCMV-HNNXBMFYSA-N 1 2 326.780 2.630 10 5 EFBELO CN(C)c1[nH+]cccc1NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000341216664 475030810 /nfs/dbraw/zinc/03/08/10/475030810.db2.gz ACQZPYNJYVEKFT-UHFFFAOYSA-N 1 2 336.298 2.515 10 5 EFBELO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](S(C)(=O)=O)CC1 ZINC000337534946 475103523 /nfs/dbraw/zinc/10/35/23/475103523.db2.gz XGJHZLLFNXWGQM-DOMZBBRYSA-N 1 2 326.418 2.555 10 5 EFBELO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](S(C)(=O)=O)CC1 ZINC000337534946 475103529 /nfs/dbraw/zinc/10/35/29/475103529.db2.gz XGJHZLLFNXWGQM-DOMZBBRYSA-N 1 2 326.418 2.555 10 5 EFBELO C[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC(=O)N1C ZINC000337540896 475109513 /nfs/dbraw/zinc/10/95/13/475109513.db2.gz KKBUMCKNRBXTMG-GFCCVEGCSA-N 1 2 329.356 2.517 10 5 EFBELO C[C@@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC(=O)N1C ZINC000337540896 475109519 /nfs/dbraw/zinc/10/95/19/475109519.db2.gz KKBUMCKNRBXTMG-GFCCVEGCSA-N 1 2 329.356 2.517 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(C(=O)NC(C)(C)C)CC1 ZINC000361169902 475241111 /nfs/dbraw/zinc/24/11/11/475241111.db2.gz XCCBGKGFCCCTJZ-UHFFFAOYSA-N 1 2 334.420 2.529 10 5 EFBELO Cc1cn2cc(NC(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)ccc2[nH+]1 ZINC000352398431 475254857 /nfs/dbraw/zinc/25/48/57/475254857.db2.gz CECFFKVPLOBAKS-UHFFFAOYSA-N 1 2 340.295 2.532 10 5 EFBELO Cn1c[nH+]cc1Cc1noc(-c2cc3cc([N+](=O)[O-])ccc3o2)n1 ZINC000357950150 475284407 /nfs/dbraw/zinc/28/44/07/475284407.db2.gz BGEIEBAKVWLIEJ-UHFFFAOYSA-N 1 2 325.284 2.715 10 5 EFBELO Cc1ccc([C@H](C)NC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)cc1[N+](=O)[O-] ZINC000357954879 475289289 /nfs/dbraw/zinc/28/92/89/475289289.db2.gz HYBUPJGHCLQDRA-WCQYABFASA-N 1 2 343.387 2.544 10 5 EFBELO Cc1ccc([C@H](C)NC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)cc1[N+](=O)[O-] ZINC000357954879 475289295 /nfs/dbraw/zinc/28/92/95/475289295.db2.gz HYBUPJGHCLQDRA-WCQYABFASA-N 1 2 343.387 2.544 10 5 EFBELO Cn1c[nH+]cc1Cc1noc(Cc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000358000253 475323046 /nfs/dbraw/zinc/32/30/46/475323046.db2.gz IEDACCVTXHXBPQ-UHFFFAOYSA-N 1 2 333.735 2.546 10 5 EFBELO COc1cc(C[N@@H+]2CCC[C@@H]2C(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC000352527312 475382122 /nfs/dbraw/zinc/38/21/22/475382122.db2.gz YWNFYTFBWBLYNX-CQSZACIVSA-N 1 2 336.388 2.910 10 5 EFBELO COc1cc(C[N@H+]2CCC[C@@H]2C(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC000352527312 475382130 /nfs/dbraw/zinc/38/21/30/475382130.db2.gz YWNFYTFBWBLYNX-CQSZACIVSA-N 1 2 336.388 2.910 10 5 EFBELO C[C@@H](NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)c1ccccc1[N+](=O)[O-] ZINC000341923825 475416236 /nfs/dbraw/zinc/41/62/36/475416236.db2.gz PGNYSENRJRRJAY-GFCCVEGCSA-N 1 2 343.387 2.968 10 5 EFBELO C[C@@H](NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)c1ccccc1[N+](=O)[O-] ZINC000341923825 475416244 /nfs/dbraw/zinc/41/62/44/475416244.db2.gz PGNYSENRJRRJAY-GFCCVEGCSA-N 1 2 343.387 2.968 10 5 EFBELO Cc1ccncc1C[N@@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000361412076 475427520 /nfs/dbraw/zinc/42/75/20/475427520.db2.gz FKPNOTUFSKGAFF-CYBMUJFWSA-N 1 2 328.372 2.757 10 5 EFBELO Cc1ccncc1C[N@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000361412076 475427527 /nfs/dbraw/zinc/42/75/27/475427527.db2.gz FKPNOTUFSKGAFF-CYBMUJFWSA-N 1 2 328.372 2.757 10 5 EFBELO Cc1ccncc1C[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000361425262 475441393 /nfs/dbraw/zinc/44/13/93/475441393.db2.gz MVCQCWDIZXFVDU-UHFFFAOYSA-N 1 2 328.372 2.677 10 5 EFBELO Cc1ccncc1C[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000361425262 475441400 /nfs/dbraw/zinc/44/14/00/475441400.db2.gz MVCQCWDIZXFVDU-UHFFFAOYSA-N 1 2 328.372 2.677 10 5 EFBELO Cc1ccncc1C[N@@H+](C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000361436752 475449605 /nfs/dbraw/zinc/44/96/05/475449605.db2.gz BNGDADBIXPGDKE-KRWDZBQOSA-N 1 2 340.383 2.536 10 5 EFBELO Cc1ccncc1C[N@H+](C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000361436752 475449610 /nfs/dbraw/zinc/44/96/10/475449610.db2.gz BNGDADBIXPGDKE-KRWDZBQOSA-N 1 2 340.383 2.536 10 5 EFBELO C[C@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000352671140 475514002 /nfs/dbraw/zinc/51/40/02/475514002.db2.gz LFOPXWLJTUZLHR-CYBMUJFWSA-N 1 2 343.383 2.551 10 5 EFBELO C[C@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000352671140 475514009 /nfs/dbraw/zinc/51/40/09/475514009.db2.gz LFOPXWLJTUZLHR-CYBMUJFWSA-N 1 2 343.383 2.551 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000338059678 475554323 /nfs/dbraw/zinc/55/43/23/475554323.db2.gz OVPAVFSUYQQADS-UHFFFAOYSA-N 1 2 339.395 2.861 10 5 EFBELO CCc1nc(C2CC[NH+](Cc3ccc([N+](=O)[O-])c(OC)c3)CC2)n[nH]1 ZINC000362071958 475977005 /nfs/dbraw/zinc/97/70/05/475977005.db2.gz KDCVMLVNQVIAEU-UHFFFAOYSA-N 1 2 345.403 2.664 10 5 EFBELO O=[N+]([O-])c1ccc(CC[NH2+][C@@H](c2cnn[nH]2)c2ccc(F)cc2)cc1 ZINC000340473570 476057086 /nfs/dbraw/zinc/05/70/86/476057086.db2.gz LUDIFQJXMCOGTI-QGZVFWFLSA-N 1 2 341.346 2.774 10 5 EFBELO O=[N+]([O-])c1ccc(CC[NH2+][C@@H](c2cn[nH]n2)c2ccc(F)cc2)cc1 ZINC000340473570 476057092 /nfs/dbraw/zinc/05/70/92/476057092.db2.gz LUDIFQJXMCOGTI-QGZVFWFLSA-N 1 2 341.346 2.774 10 5 EFBELO O=[N+]([O-])c1ccc(CC[NH2+][C@@H](c2c[nH]nn2)c2ccc(F)cc2)cc1 ZINC000340473570 476057099 /nfs/dbraw/zinc/05/70/99/476057099.db2.gz LUDIFQJXMCOGTI-QGZVFWFLSA-N 1 2 341.346 2.774 10 5 EFBELO CCc1cnc(N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)s1 ZINC000353560552 476079981 /nfs/dbraw/zinc/07/99/81/476079981.db2.gz IFYPMBNBIFKRAC-UHFFFAOYSA-N 1 2 332.429 2.936 10 5 EFBELO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1cnn(CC(F)(F)F)c1)CC2 ZINC000353608367 476119313 /nfs/dbraw/zinc/11/93/13/476119313.db2.gz GONCXNAEMYOBBA-UHFFFAOYSA-N 1 2 340.305 2.912 10 5 EFBELO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1cnn(CC(F)(F)F)c1)CC2 ZINC000353608367 476119318 /nfs/dbraw/zinc/11/93/18/476119318.db2.gz GONCXNAEMYOBBA-UHFFFAOYSA-N 1 2 340.305 2.912 10 5 EFBELO COC(=O)c1cc(NCc2cn3ccccc3[nH+]2)cc(C)c1[N+](=O)[O-] ZINC000359092435 476181444 /nfs/dbraw/zinc/18/14/44/476181444.db2.gz IDGWSTBHZQYEON-UHFFFAOYSA-N 1 2 340.339 2.950 10 5 EFBELO Cc1cccc(C(=O)NCc2[nH+]ccn2CC(F)(F)F)c1[N+](=O)[O-] ZINC000340660210 476186410 /nfs/dbraw/zinc/18/64/10/476186410.db2.gz INSXBSLTSSCNCQ-UHFFFAOYSA-N 1 2 342.277 2.592 10 5 EFBELO CO[C@H](C)CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(C)C ZINC000353890171 476314390 /nfs/dbraw/zinc/31/43/90/476314390.db2.gz CFBLZQPYNYXBRC-CYBMUJFWSA-N 1 2 346.387 2.666 10 5 EFBELO C[N@H+](Cc1nc(Cc2ccc([N+](=O)[O-])cn2)no1)Cc1ccccc1 ZINC000357322517 476330495 /nfs/dbraw/zinc/33/04/95/476330495.db2.gz CKWPNSKDQZKIRR-UHFFFAOYSA-N 1 2 339.355 2.596 10 5 EFBELO C[N@@H+](Cc1nc(Cc2ccc([N+](=O)[O-])cn2)no1)Cc1ccccc1 ZINC000357322517 476330498 /nfs/dbraw/zinc/33/04/98/476330498.db2.gz CKWPNSKDQZKIRR-UHFFFAOYSA-N 1 2 339.355 2.596 10 5 EFBELO COc1cccc(NCc2ccnc(-n3cc[nH+]c3)c2)c1[N+](=O)[O-] ZINC000378045299 476678215 /nfs/dbraw/zinc/67/82/15/476678215.db2.gz PIVKDURNXZDFII-UHFFFAOYSA-N 1 2 325.328 2.796 10 5 EFBELO C[C@@H]1[C@H](O)CCC[N@@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000384730851 476758319 /nfs/dbraw/zinc/75/83/19/476758319.db2.gz JMAIERJDHMKGRR-NOZJJQNGSA-N 1 2 329.194 2.703 10 5 EFBELO C[C@@H]1[C@H](O)CCC[N@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000384730851 476758322 /nfs/dbraw/zinc/75/83/22/476758322.db2.gz JMAIERJDHMKGRR-NOZJJQNGSA-N 1 2 329.194 2.703 10 5 EFBELO O=C(NC[C@@H]1C[C@H]1C1CC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000456872056 476770037 /nfs/dbraw/zinc/77/00/37/476770037.db2.gz TUSFLUPIULBCPG-KBPBESRZSA-N 1 2 326.356 2.556 10 5 EFBELO C[C@@H]1C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@]2(CCO[C@H](C)C2)O1 ZINC000430269703 476798521 /nfs/dbraw/zinc/79/85/21/476798521.db2.gz PGJPZSNQUXMFAU-PBFPGSCMSA-N 1 2 338.379 2.892 10 5 EFBELO C[C@@H]1C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@]2(CCO[C@H](C)C2)O1 ZINC000430269703 476798527 /nfs/dbraw/zinc/79/85/27/476798527.db2.gz PGJPZSNQUXMFAU-PBFPGSCMSA-N 1 2 338.379 2.892 10 5 EFBELO CCOc1ccc(NC(=O)C[N@H+]2CC(C)=C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000430278946 476800727 /nfs/dbraw/zinc/80/07/27/476800727.db2.gz RQBZLOVGNMXJGS-LBPRGKRZSA-N 1 2 333.388 2.830 10 5 EFBELO CCOc1ccc(NC(=O)C[N@@H+]2CC(C)=C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000430278946 476800733 /nfs/dbraw/zinc/80/07/33/476800733.db2.gz RQBZLOVGNMXJGS-LBPRGKRZSA-N 1 2 333.388 2.830 10 5 EFBELO C[C@@H]1C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H](C)[C@@H](C)O1 ZINC000446077808 476825089 /nfs/dbraw/zinc/82/50/89/476825089.db2.gz KTOWJAROFXRTJX-IJLUTSLNSA-N 1 2 332.360 2.643 10 5 EFBELO C[C@@H]1C[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H](C)[C@@H](C)O1 ZINC000446077808 476825093 /nfs/dbraw/zinc/82/50/93/476825093.db2.gz KTOWJAROFXRTJX-IJLUTSLNSA-N 1 2 332.360 2.643 10 5 EFBELO CCc1ccc([C@@H]([NH2+][C@@H](CC)C(=O)NC)c2ccc([N+](=O)[O-])cc2)o1 ZINC000453394414 477221549 /nfs/dbraw/zinc/22/15/49/477221549.db2.gz GBFTZAHVHRSLCW-RDJZCZTQSA-N 1 2 345.399 2.954 10 5 EFBELO Cc1nc([C@@H]2CCCC[N@@H+]2C[C@H](O)c2cccc([N+](=O)[O-])c2)no1 ZINC000371293647 477223462 /nfs/dbraw/zinc/22/34/62/477223462.db2.gz HHGVIYWLBHESAD-GJZGRUSLSA-N 1 2 332.360 2.547 10 5 EFBELO Cc1nc([C@@H]2CCCC[N@H+]2C[C@H](O)c2cccc([N+](=O)[O-])c2)no1 ZINC000371293647 477223470 /nfs/dbraw/zinc/22/34/70/477223470.db2.gz HHGVIYWLBHESAD-GJZGRUSLSA-N 1 2 332.360 2.547 10 5 EFBELO O=C(NC1CC[NH+](CC2CCCC2)CC1)c1cccc(O)c1[N+](=O)[O-] ZINC000367092056 477338658 /nfs/dbraw/zinc/33/86/58/477338658.db2.gz CMCSONICUBYIAO-UHFFFAOYSA-N 1 2 347.415 2.685 10 5 EFBELO O=[N+]([O-])c1ccc2cc[nH+]c(N3CC[C@H]([C@H](O)C(F)(F)F)C3)c2c1 ZINC000413315277 477624032 /nfs/dbraw/zinc/62/40/32/477624032.db2.gz JRCPIPSIQVHMLF-GWCFXTLKSA-N 1 2 341.289 2.893 10 5 EFBELO O=C(N[C@H]1CC12CCCC2)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451186452 477866802 /nfs/dbraw/zinc/86/68/02/477866802.db2.gz OIPFOBXRXCHENF-HNNXBMFYSA-N 1 2 326.356 2.843 10 5 EFBELO CCOc1ccc(C(=O)N[C@H]2C[C@H](C)n3cc[nH+]c32)cc1[N+](=O)[O-] ZINC000456379126 477898962 /nfs/dbraw/zinc/89/89/62/477898962.db2.gz LNJBQKQVYQZZHM-JQWIXIFHSA-N 1 2 330.344 2.626 10 5 EFBELO Cn1c[nH+]c(CCNC(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c1 ZINC000459568360 477979014 /nfs/dbraw/zinc/97/90/14/477979014.db2.gz XBNPAIZWDMTVFW-UHFFFAOYSA-N 1 2 345.403 2.990 10 5 EFBELO CCCc1ncc(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)o1 ZINC000590661345 478279998 /nfs/dbraw/zinc/27/99/98/478279998.db2.gz KBNIVZVNIYTVQP-UHFFFAOYSA-N 1 2 333.344 2.596 10 5 EFBELO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000580393847 478360887 /nfs/dbraw/zinc/36/08/87/478360887.db2.gz GEQGXAXEXYQCDK-KBPBESRZSA-N 1 2 349.434 2.846 10 5 EFBELO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000580393847 478360894 /nfs/dbraw/zinc/36/08/94/478360894.db2.gz GEQGXAXEXYQCDK-KBPBESRZSA-N 1 2 349.434 2.846 10 5 EFBELO C[C@@H](CNc1ncc(Cl)cc1[N+](=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594591157 478452304 /nfs/dbraw/zinc/45/23/04/478452304.db2.gz FYUYOYMSTJWAPQ-GARJFASQSA-N 1 2 328.800 2.553 10 5 EFBELO C[C@@H](CNc1ncc(Cl)cc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594591157 478452309 /nfs/dbraw/zinc/45/23/09/478452309.db2.gz FYUYOYMSTJWAPQ-GARJFASQSA-N 1 2 328.800 2.553 10 5 EFBELO C[C@@H](CNc1ncc([N+](=O)[O-])cc1Cl)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594592589 478453876 /nfs/dbraw/zinc/45/38/76/478453876.db2.gz SKIHQNYCYFEZTP-GARJFASQSA-N 1 2 328.800 2.553 10 5 EFBELO C[C@@H](CNc1ncc([N+](=O)[O-])cc1Cl)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594592589 478453878 /nfs/dbraw/zinc/45/38/78/478453878.db2.gz SKIHQNYCYFEZTP-GARJFASQSA-N 1 2 328.800 2.553 10 5 EFBELO C[C@@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cscn1 ZINC000594710371 478507870 /nfs/dbraw/zinc/50/78/70/478507870.db2.gz IDIQRXSWDHWNBT-MFKMUULPSA-N 1 2 332.385 2.507 10 5 EFBELO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000591529170 478574367 /nfs/dbraw/zinc/57/43/67/478574367.db2.gz AHUBYHKCDSLMNK-UHFFFAOYSA-N 1 2 327.340 2.510 10 5 EFBELO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1nccc(OC)c1F ZINC000594978308 478615431 /nfs/dbraw/zinc/61/54/31/478615431.db2.gz SAFMIDZAFUVNCY-UHFFFAOYSA-N 1 2 335.335 2.826 10 5 EFBELO Cn1ccnc1[C@H]([NH2+][C@@H]1COC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000595047926 478640435 /nfs/dbraw/zinc/64/04/35/478640435.db2.gz ICVPOGZRVLQPIM-DZGCQCFKSA-N 1 2 330.388 2.575 10 5 EFBELO CCOc1ccc([C@H](C)[NH2+][C@H]2C[C@@H](C)n3ncnc32)cc1[N+](=O)[O-] ZINC000595074017 478651468 /nfs/dbraw/zinc/65/14/68/478651468.db2.gz SNFXEELNEDDSJS-MDZLAQPJSA-N 1 2 331.376 2.942 10 5 EFBELO O=C(NC[C@@H]1CCC[C@@H]2C[C@@H]21)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000598209335 478705356 /nfs/dbraw/zinc/70/53/56/478705356.db2.gz SYJVEESEUNRFRL-SNPRPXQTSA-N 1 2 340.383 2.947 10 5 EFBELO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC[C@H](CCF)C1 ZINC000598220335 478711720 /nfs/dbraw/zinc/71/17/20/478711720.db2.gz MTEPYFYWRMYCCM-CYBMUJFWSA-N 1 2 346.362 2.992 10 5 EFBELO CC(C)(CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21)[C@@]1(O)CCOC1 ZINC000591988561 478734938 /nfs/dbraw/zinc/73/49/38/478734938.db2.gz UPXOGFBTBQJXMR-QGZVFWFLSA-N 1 2 331.372 2.733 10 5 EFBELO CCc1nnc([C@H](C)[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)[nH]1 ZINC000595330335 478735408 /nfs/dbraw/zinc/73/54/08/478735408.db2.gz JKOOCJVJYDWDQW-LBPRGKRZSA-N 1 2 345.403 2.880 10 5 EFBELO O=[N+]([O-])c1ccc2cc[nH+]c(N3C[C@@H](CO)[C@H](C(F)(F)F)C3)c2c1 ZINC000601234373 478739294 /nfs/dbraw/zinc/73/92/94/478739294.db2.gz CEQTXUPCSVCWIA-GXFFZTMASA-N 1 2 341.289 2.750 10 5 EFBELO CS(=O)(=O)CC[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595501127 478822095 /nfs/dbraw/zinc/82/20/95/478822095.db2.gz IFLLCDQKWZBHFM-CQSZACIVSA-N 1 2 344.408 2.523 10 5 EFBELO CS(=O)(=O)CC[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595501127 478822101 /nfs/dbraw/zinc/82/21/01/478822101.db2.gz IFLLCDQKWZBHFM-CQSZACIVSA-N 1 2 344.408 2.523 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1n[nH]cc1Br ZINC000544612571 478853481 /nfs/dbraw/zinc/85/34/81/478853481.db2.gz HVLKDNMHZHSJRO-UHFFFAOYSA-N 1 2 325.166 2.679 10 5 EFBELO CC(C)[C@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000505337510 478863627 /nfs/dbraw/zinc/86/36/27/478863627.db2.gz JGPXVWHGENDAKG-KRWDZBQOSA-N 1 2 349.431 2.787 10 5 EFBELO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1cc2n(n1)CCCC2 ZINC000592387457 478879997 /nfs/dbraw/zinc/87/99/97/478879997.db2.gz FVJRJEKIUNVDNL-GFCCVEGCSA-N 1 2 330.388 2.987 10 5 EFBELO CO[C@]1(CO)CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000595658417 478921266 /nfs/dbraw/zinc/92/12/66/478921266.db2.gz IPSHKNLNDZRKPH-CQSZACIVSA-N 1 2 348.321 2.587 10 5 EFBELO CO[C@]1(CO)CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000595658417 478921273 /nfs/dbraw/zinc/92/12/73/478921273.db2.gz IPSHKNLNDZRKPH-CQSZACIVSA-N 1 2 348.321 2.587 10 5 EFBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC3(CCC3)OC[C@H]2C)c1 ZINC000595680517 478931604 /nfs/dbraw/zinc/93/16/04/478931604.db2.gz IFKKPFWEQNOESG-GFCCVEGCSA-N 1 2 334.372 2.525 10 5 EFBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC3(CCC3)OC[C@H]2C)c1 ZINC000595680517 478931610 /nfs/dbraw/zinc/93/16/10/478931610.db2.gz IFKKPFWEQNOESG-GFCCVEGCSA-N 1 2 334.372 2.525 10 5 EFBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC3(CCCC3)OC[C@H]2C)c1 ZINC000595809005 479010371 /nfs/dbraw/zinc/01/03/71/479010371.db2.gz QSIMBMHGCCHDEW-CYBMUJFWSA-N 1 2 348.399 2.915 10 5 EFBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC3(CCCC3)OC[C@H]2C)c1 ZINC000595809005 479010374 /nfs/dbraw/zinc/01/03/74/479010374.db2.gz QSIMBMHGCCHDEW-CYBMUJFWSA-N 1 2 348.399 2.915 10 5 EFBELO C[C@@H]1COC2(CCCC2)C[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000595816243 479013434 /nfs/dbraw/zinc/01/34/34/479013434.db2.gz VCQOPXYBBAJZNI-CQSZACIVSA-N 1 2 347.415 2.591 10 5 EFBELO C[C@@H]1COC2(CCCC2)C[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000595816243 479013438 /nfs/dbraw/zinc/01/34/38/479013438.db2.gz VCQOPXYBBAJZNI-CQSZACIVSA-N 1 2 347.415 2.591 10 5 EFBELO O=[N+]([O-])c1ccc(OCC[N@H+]2CCOc3ccc(O)cc3C2)cc1 ZINC000595848628 479030745 /nfs/dbraw/zinc/03/07/45/479030745.db2.gz BIBXKWPBJSVKLO-UHFFFAOYSA-N 1 2 330.340 2.574 10 5 EFBELO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCOc3ccc(O)cc3C2)cc1 ZINC000595848628 479030750 /nfs/dbraw/zinc/03/07/50/479030750.db2.gz BIBXKWPBJSVKLO-UHFFFAOYSA-N 1 2 330.340 2.574 10 5 EFBELO C[C@@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@@](C)(C(F)F)O1 ZINC000595921667 479075912 /nfs/dbraw/zinc/07/59/12/479075912.db2.gz YKHHQQYVTUGEIC-ABAIWWIYSA-N 1 2 330.331 2.718 10 5 EFBELO C[C@@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])C[C@@](C)(C(F)F)O1 ZINC000595921667 479075920 /nfs/dbraw/zinc/07/59/20/479075920.db2.gz YKHHQQYVTUGEIC-ABAIWWIYSA-N 1 2 330.331 2.718 10 5 EFBELO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@H](C(F)F)CC1 ZINC000601967783 479101634 /nfs/dbraw/zinc/10/16/34/479101634.db2.gz BKLSSBUCFOEFBX-AWEZNQCLSA-N 1 2 330.331 2.850 10 5 EFBELO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@H](C(F)F)CC1 ZINC000601967783 479101643 /nfs/dbraw/zinc/10/16/43/479101643.db2.gz BKLSSBUCFOEFBX-AWEZNQCLSA-N 1 2 330.331 2.850 10 5 EFBELO CCOC(=O)[C@@H]1CCCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599016428 479127049 /nfs/dbraw/zinc/12/70/49/479127049.db2.gz OPFGXBRWVCOKOJ-CYBMUJFWSA-N 1 2 329.356 2.923 10 5 EFBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)[C@@H](C)c2cccnc2)c1 ZINC000593018632 479127631 /nfs/dbraw/zinc/12/76/31/479127631.db2.gz MWIAZHRZEYWCPR-LBPRGKRZSA-N 1 2 329.356 2.969 10 5 EFBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)[C@@H](C)c2cccnc2)c1 ZINC000593018632 479127634 /nfs/dbraw/zinc/12/76/34/479127634.db2.gz MWIAZHRZEYWCPR-LBPRGKRZSA-N 1 2 329.356 2.969 10 5 EFBELO COCC[C@@H]([NH2+]Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])c1ccco1 ZINC000593023580 479129989 /nfs/dbraw/zinc/12/99/89/479129989.db2.gz WFHMIBBPFOXTDJ-CQSZACIVSA-N 1 2 348.355 2.842 10 5 EFBELO CNC(=O)C1CCC(Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599030919 479132059 /nfs/dbraw/zinc/13/20/59/479132059.db2.gz NGDMRQSYTSSEAX-UHFFFAOYSA-N 1 2 328.372 2.860 10 5 EFBELO COc1cc(NCC[N@@H+]2CCOC(C)(C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596101095 479138426 /nfs/dbraw/zinc/13/84/26/479138426.db2.gz APDUFLIALMERDM-UHFFFAOYSA-N 1 2 343.811 2.780 10 5 EFBELO COc1cc(NCC[N@H+]2CCOC(C)(C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596101095 479138433 /nfs/dbraw/zinc/13/84/33/479138433.db2.gz APDUFLIALMERDM-UHFFFAOYSA-N 1 2 343.811 2.780 10 5 EFBELO Cn1cc(C[C@H]2CCN(c3ccc4c[nH+]ccc4c3[N+](=O)[O-])C2)cn1 ZINC000599055452 479140917 /nfs/dbraw/zinc/14/09/17/479140917.db2.gz RXFJUIZTPBFMLL-CYBMUJFWSA-N 1 2 337.383 2.946 10 5 EFBELO O=[N+]([O-])c1c(N[C@H]2CCO[C@]3(CCOC3)C2)ccc2c[nH+]ccc21 ZINC000599063118 479144902 /nfs/dbraw/zinc/14/49/02/479144902.db2.gz WRSADEKBVDMNQW-SUMWQHHRSA-N 1 2 329.356 2.893 10 5 EFBELO CC[C@H]1C[N@H+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])[C@@H](CC)CO1 ZINC000593057321 479148859 /nfs/dbraw/zinc/14/88/59/479148859.db2.gz FNDNJQFYIOWQPY-GJZGRUSLSA-N 1 2 336.388 2.771 10 5 EFBELO CC[C@H]1C[N@@H+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])[C@@H](CC)CO1 ZINC000593057321 479148863 /nfs/dbraw/zinc/14/88/63/479148863.db2.gz FNDNJQFYIOWQPY-GJZGRUSLSA-N 1 2 336.388 2.771 10 5 EFBELO O=C(C1CC1)N1CCCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599073086 479149415 /nfs/dbraw/zinc/14/94/15/479149415.db2.gz NVKGHXXYEVMAIN-UHFFFAOYSA-N 1 2 340.383 2.592 10 5 EFBELO CC[C@H]1COC(C)(C)C[N@@H+]1Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000593060265 479150496 /nfs/dbraw/zinc/15/04/96/479150496.db2.gz ZKGKRMOSFAIUGY-AWEZNQCLSA-N 1 2 336.388 2.771 10 5 EFBELO CC[C@H]1COC(C)(C)C[N@H+]1Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000593060265 479150504 /nfs/dbraw/zinc/15/05/04/479150504.db2.gz ZKGKRMOSFAIUGY-AWEZNQCLSA-N 1 2 336.388 2.771 10 5 EFBELO C[C@H]1OCC[C@@]12CN(c1ccc3c[nH+]ccc3c1[N+](=O)[O-])C[C@@H](C)O2 ZINC000599078927 479151935 /nfs/dbraw/zinc/15/19/35/479151935.db2.gz KNIKTACXQNJACR-SNUQEOBHSA-N 1 2 343.383 2.916 10 5 EFBELO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCO[C@]2(CCCOC2)C1 ZINC000599080527 479152166 /nfs/dbraw/zinc/15/21/66/479152166.db2.gz HTMCOVGTHRNKRY-QGZVFWFLSA-N 1 2 329.356 2.529 10 5 EFBELO CC(C)n1cnnc1CN(C)c1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599082118 479153672 /nfs/dbraw/zinc/15/36/72/479153672.db2.gz QMYYPTMLRGAYQE-UHFFFAOYSA-N 1 2 326.360 2.952 10 5 EFBELO CC[C@@H]1CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C[C@H](C)[S@@]1=O ZINC000599081749 479153981 /nfs/dbraw/zinc/15/39/81/479153981.db2.gz LWXIBOPACBLEJV-MNPDGNRJSA-N 1 2 333.413 2.879 10 5 EFBELO CC[C@@H]1CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C[C@H](C)S1(=O)=O ZINC000599085079 479155199 /nfs/dbraw/zinc/15/51/99/479155199.db2.gz LIYGKTMSMZNPRS-WCQYABFASA-N 1 2 349.412 2.545 10 5 EFBELO Cn1ccnc1[C@H]([NH2+][C@@H]1CO[C@H](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000599085634 479155799 /nfs/dbraw/zinc/15/57/99/479155799.db2.gz UUJAFDOFQZELDM-BHYGNILZSA-N 1 2 342.399 2.575 10 5 EFBELO CCCN1C[C@H](CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1=O ZINC000599089575 479157606 /nfs/dbraw/zinc/15/76/06/479157606.db2.gz DQRGHWQYIVGOSR-LBPRGKRZSA-N 1 2 328.372 2.813 10 5 EFBELO CC(C)(CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-])[C@@]1(O)CCOC1 ZINC000599095387 479158985 /nfs/dbraw/zinc/15/89/85/479158985.db2.gz SFXLXQLDDUTASZ-QGZVFWFLSA-N 1 2 331.372 2.733 10 5 EFBELO COC(=O)[C@@]1(C)CCCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599093505 479159317 /nfs/dbraw/zinc/15/93/17/479159317.db2.gz VGOSHTHNKGOMQK-KRWDZBQOSA-N 1 2 329.356 2.923 10 5 EFBELO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCO[C@]2(CCSC2)C1 ZINC000599094318 479159986 /nfs/dbraw/zinc/15/99/86/479159986.db2.gz GWSBZIWIGWGDAX-MRXNPFEDSA-N 1 2 331.397 2.855 10 5 EFBELO COC(=O)[C@@H]1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C[C@@H]1C ZINC000599110252 479164464 /nfs/dbraw/zinc/16/44/64/479164464.db2.gz NCFNOXUHZFXFHP-WCQYABFASA-N 1 2 329.356 2.778 10 5 EFBELO C[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C2(CCC2)CO1 ZINC000593093902 479170853 /nfs/dbraw/zinc/17/08/53/479170853.db2.gz WIANLUBBWXBKSH-LBPRGKRZSA-N 1 2 334.372 2.605 10 5 EFBELO C[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C2(CCC2)CO1 ZINC000593093902 479170858 /nfs/dbraw/zinc/17/08/58/479170858.db2.gz WIANLUBBWXBKSH-LBPRGKRZSA-N 1 2 334.372 2.605 10 5 EFBELO C[C@H]1C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C2(CCC2)CO1 ZINC000593093884 479171597 /nfs/dbraw/zinc/17/15/97/479171597.db2.gz WCRLMIIDZVSYSH-LBPRGKRZSA-N 1 2 344.371 2.788 10 5 EFBELO C[C@H]1C[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C2(CCC2)CO1 ZINC000593093884 479171606 /nfs/dbraw/zinc/17/16/06/479171606.db2.gz WCRLMIIDZVSYSH-LBPRGKRZSA-N 1 2 344.371 2.788 10 5 EFBELO COC(=O)Cc1cc[nH+]c(N(Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000596170031 479178193 /nfs/dbraw/zinc/17/81/93/479178193.db2.gz ONKBBQVVTOUSCM-UHFFFAOYSA-N 1 2 341.367 2.874 10 5 EFBELO CCOc1cc(C[N@@H+]2CCO[C@@]3(CCSC3)C2)ccc1[N+](=O)[O-] ZINC000569807142 479182658 /nfs/dbraw/zinc/18/26/58/479182658.db2.gz AKZZLTXUWBZFIS-INIZCTEOSA-N 1 2 338.429 2.701 10 5 EFBELO CCOc1cc(C[N@H+]2CCO[C@@]3(CCSC3)C2)ccc1[N+](=O)[O-] ZINC000569807142 479182664 /nfs/dbraw/zinc/18/26/64/479182664.db2.gz AKZZLTXUWBZFIS-INIZCTEOSA-N 1 2 338.429 2.701 10 5 EFBELO Cc1cc(N[C@H]2CO[C@@H](C3CC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000599181909 479198430 /nfs/dbraw/zinc/19/84/30/479198430.db2.gz VCUVNZGVHYUEJW-GDBMZVCRSA-N 1 2 340.383 2.762 10 5 EFBELO Cc1cccc([N+](=O)[O-])c1NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000599183378 479199736 /nfs/dbraw/zinc/19/97/36/479199736.db2.gz LIUCMAOZLJUOJK-MRXNPFEDSA-N 1 2 342.399 2.611 10 5 EFBELO Cc1cccc([N+](=O)[O-])c1NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000599183378 479199744 /nfs/dbraw/zinc/19/97/44/479199744.db2.gz LIUCMAOZLJUOJK-MRXNPFEDSA-N 1 2 342.399 2.611 10 5 EFBELO Cc1cc(NC[C@H]2C[N@H+](Cc3ccncc3)CCO2)ccc1[N+](=O)[O-] ZINC000599183747 479199872 /nfs/dbraw/zinc/19/98/72/479199872.db2.gz STQFCZQOXXTKMC-KRWDZBQOSA-N 1 2 342.399 2.611 10 5 EFBELO Cc1cc(NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)ccc1[N+](=O)[O-] ZINC000599183747 479199879 /nfs/dbraw/zinc/19/98/79/479199879.db2.gz STQFCZQOXXTKMC-KRWDZBQOSA-N 1 2 342.399 2.611 10 5 EFBELO Cc1cc(N2CC[C@@H]3CC[C@@H](O)[C@@H]32)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000599196205 479206085 /nfs/dbraw/zinc/20/60/85/479206085.db2.gz OZGSFJUNEKRDIN-XGWLTEMNSA-N 1 2 340.383 2.710 10 5 EFBELO Cn1ccnc1[C@H]([NH2+]CCOC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000556887126 479234645 /nfs/dbraw/zinc/23/46/45/479234645.db2.gz QWZUJAKQYFCHGJ-OAHLLOKOSA-N 1 2 332.404 2.822 10 5 EFBELO Cc1cc(N2C[C@@H]3COC[C@]3(C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000596483054 479313124 /nfs/dbraw/zinc/31/31/24/479313124.db2.gz OELQEXCWOABFOO-KDOFPFPSSA-N 1 2 340.383 2.833 10 5 EFBELO CCOC(=O)c1cc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)on1 ZINC000602438086 479331427 /nfs/dbraw/zinc/33/14/27/479331427.db2.gz ARFCAONEFWLQFC-UHFFFAOYSA-N 1 2 345.355 2.924 10 5 EFBELO CCOC(=O)c1cc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)on1 ZINC000602438086 479331432 /nfs/dbraw/zinc/33/14/32/479331432.db2.gz ARFCAONEFWLQFC-UHFFFAOYSA-N 1 2 345.355 2.924 10 5 EFBELO CCOc1cc(C[N@@H+]2CCC[C@H]2c2ccc(=O)[nH]n2)ccc1[N+](=O)[O-] ZINC000599643192 479365014 /nfs/dbraw/zinc/36/50/14/479365014.db2.gz ZMIAPWXGZAOHSK-AWEZNQCLSA-N 1 2 344.371 2.826 10 5 EFBELO CCOc1cc(C[N@H+]2CCC[C@H]2c2ccc(=O)[nH]n2)ccc1[N+](=O)[O-] ZINC000599643192 479365018 /nfs/dbraw/zinc/36/50/18/479365018.db2.gz ZMIAPWXGZAOHSK-AWEZNQCLSA-N 1 2 344.371 2.826 10 5 EFBELO COC(=O)[C@@](C)(NCCc1cc[nH+]cc1C)c1cccc([N+](=O)[O-])c1 ZINC000599654656 479373051 /nfs/dbraw/zinc/37/30/51/479373051.db2.gz SGZZAZZKOMVUMQ-SFHVURJKSA-N 1 2 343.383 2.519 10 5 EFBELO C[C@]12CCCC[C@H]1C[N@@H+]2CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000599672676 479383617 /nfs/dbraw/zinc/38/36/17/479383617.db2.gz YNGYUCJBDXVNPU-BBRMVZONSA-N 1 2 338.429 2.633 10 5 EFBELO C[C@]12CCCC[C@H]1C[N@H+]2CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000599672676 479383621 /nfs/dbraw/zinc/38/36/21/479383621.db2.gz YNGYUCJBDXVNPU-BBRMVZONSA-N 1 2 338.429 2.633 10 5 EFBELO COc1cc(C[N@H+](C)CC(=O)N(C)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000611515371 479402883 /nfs/dbraw/zinc/40/28/83/479402883.db2.gz SUGQPOQTEWESHP-UHFFFAOYSA-N 1 2 349.431 2.826 10 5 EFBELO COc1cc(C[N@@H+](C)CC(=O)N(C)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000611515371 479402889 /nfs/dbraw/zinc/40/28/89/479402889.db2.gz SUGQPOQTEWESHP-UHFFFAOYSA-N 1 2 349.431 2.826 10 5 EFBELO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000611577317 479421679 /nfs/dbraw/zinc/42/16/79/479421679.db2.gz HTSNIOITUZBWQQ-WDEREUQCSA-N 1 2 343.330 2.625 10 5 EFBELO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](OC(F)F)C1 ZINC000611577317 479421685 /nfs/dbraw/zinc/42/16/85/479421685.db2.gz HTSNIOITUZBWQQ-WDEREUQCSA-N 1 2 343.330 2.625 10 5 EFBELO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000611577313 479422391 /nfs/dbraw/zinc/42/23/91/479422391.db2.gz HTSNIOITUZBWQQ-MNOVXSKESA-N 1 2 343.330 2.625 10 5 EFBELO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000611577313 479422395 /nfs/dbraw/zinc/42/23/95/479422395.db2.gz HTSNIOITUZBWQQ-MNOVXSKESA-N 1 2 343.330 2.625 10 5 EFBELO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000611579637 479423315 /nfs/dbraw/zinc/42/33/15/479423315.db2.gz MNIUZUYVCWCDOU-GFCCVEGCSA-N 1 2 343.330 2.545 10 5 EFBELO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@H](OC(F)F)C1 ZINC000611579637 479423321 /nfs/dbraw/zinc/42/33/21/479423321.db2.gz MNIUZUYVCWCDOU-GFCCVEGCSA-N 1 2 343.330 2.545 10 5 EFBELO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000611579638 479423340 /nfs/dbraw/zinc/42/33/40/479423340.db2.gz MNIUZUYVCWCDOU-LBPRGKRZSA-N 1 2 343.330 2.545 10 5 EFBELO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000611579638 479423345 /nfs/dbraw/zinc/42/33/45/479423345.db2.gz MNIUZUYVCWCDOU-LBPRGKRZSA-N 1 2 343.330 2.545 10 5 EFBELO Cc1cc(C)c([N+](=O)[O-])c(N2CC[NH+]([C@@H](C)c3cccnc3)CC2)n1 ZINC000611616419 479430783 /nfs/dbraw/zinc/43/07/83/479430783.db2.gz NFFZKBSFDWKKGM-HNNXBMFYSA-N 1 2 341.415 2.885 10 5 EFBELO C[C@H](NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])c1[nH+]ccn1C ZINC000596936875 479495089 /nfs/dbraw/zinc/49/50/89/479495089.db2.gz MKIBNPNNMBEMTJ-NSHDSACASA-N 1 2 331.376 2.624 10 5 EFBELO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000590167880 479613789 /nfs/dbraw/zinc/61/37/89/479613789.db2.gz LUBPJCDVTCPINA-LBPRGKRZSA-N 1 2 343.387 2.606 10 5 EFBELO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000590167880 479613794 /nfs/dbraw/zinc/61/37/94/479613794.db2.gz LUBPJCDVTCPINA-LBPRGKRZSA-N 1 2 343.387 2.606 10 5 EFBELO CC(C)c1ccc(C(=O)Nc2cc[nH+]cc2N(C)C)cc1[N+](=O)[O-] ZINC000615206846 479629509 /nfs/dbraw/zinc/62/95/09/479629509.db2.gz OILTZMMHTFXMMD-UHFFFAOYSA-N 1 2 328.372 2.853 10 5 EFBELO CCc1nocc1C[N@H+](C)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000590379611 479636778 /nfs/dbraw/zinc/63/67/78/479636778.db2.gz XACFWSHWXQVULQ-UHFFFAOYSA-N 1 2 333.344 2.564 10 5 EFBELO CCc1nocc1C[N@@H+](C)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000590379611 479636786 /nfs/dbraw/zinc/63/67/86/479636786.db2.gz XACFWSHWXQVULQ-UHFFFAOYSA-N 1 2 333.344 2.564 10 5 EFBELO Cc1ccc(C[N@@H+]2CCc3c(cccc3C(N)=O)C2)cc1[N+](=O)[O-] ZINC000597247048 479641721 /nfs/dbraw/zinc/64/17/21/479641721.db2.gz YRDGRMMEMBUVDU-UHFFFAOYSA-N 1 2 325.368 2.560 10 5 EFBELO Cc1ccc(C[N@H+]2CCc3c(cccc3C(N)=O)C2)cc1[N+](=O)[O-] ZINC000597247048 479641726 /nfs/dbraw/zinc/64/17/26/479641726.db2.gz YRDGRMMEMBUVDU-UHFFFAOYSA-N 1 2 325.368 2.560 10 5 EFBELO CN(C)c1c[nH+]ccc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000614050441 480175290 /nfs/dbraw/zinc/17/52/90/480175290.db2.gz ANPDKPLOMNQFQW-UHFFFAOYSA-N 1 2 342.380 2.945 10 5 EFBELO O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000610667834 480360365 /nfs/dbraw/zinc/36/03/65/480360365.db2.gz FVERAODOGZBPLY-MRXNPFEDSA-N 1 2 328.372 2.588 10 5 EFBELO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@@H](OC(F)F)C3)nc2c1 ZINC000618304572 480613624 /nfs/dbraw/zinc/61/36/24/480613624.db2.gz SJEVSFUPEITAFL-SNVBAGLBSA-N 1 2 326.303 2.675 10 5 EFBELO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@@H](OC(F)F)C3)nc2c1 ZINC000618304572 480613626 /nfs/dbraw/zinc/61/36/26/480613626.db2.gz SJEVSFUPEITAFL-SNVBAGLBSA-N 1 2 326.303 2.675 10 5 EFBELO Cc1cc(C)n(C[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3C)CCO2)n1 ZINC000183333803 534115476 /nfs/dbraw/zinc/11/54/76/534115476.db2.gz DWXKXFJXWONEPJ-SFHVURJKSA-N 1 2 344.415 2.618 10 5 EFBELO Cc1cc(C)n(C[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3C)CCO2)n1 ZINC000183333803 534115484 /nfs/dbraw/zinc/11/54/84/534115484.db2.gz DWXKXFJXWONEPJ-SFHVURJKSA-N 1 2 344.415 2.618 10 5 EFBELO CC(C)c1nc([C@@H]2CCC[N@@H+]2C[C@@H](O)c2cccc([N+](=O)[O-])c2)no1 ZINC000246202693 519867246 /nfs/dbraw/zinc/86/72/46/519867246.db2.gz BHBRBUQZXZMAQN-LSDHHAIUSA-N 1 2 346.387 2.972 10 5 EFBELO CC(C)c1nc([C@@H]2CCC[N@H+]2C[C@@H](O)c2cccc([N+](=O)[O-])c2)no1 ZINC000246202693 519867248 /nfs/dbraw/zinc/86/72/48/519867248.db2.gz BHBRBUQZXZMAQN-LSDHHAIUSA-N 1 2 346.387 2.972 10 5 EFBELO Cc1nc([C@H]2CCC[N@@H+]2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cs1 ZINC000189802648 534610175 /nfs/dbraw/zinc/61/01/75/534610175.db2.gz VFGZLMMLYFIKAE-CQSZACIVSA-N 1 2 346.412 2.796 10 5 EFBELO Cc1nc([C@H]2CCC[N@H+]2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cs1 ZINC000189802648 534610186 /nfs/dbraw/zinc/61/01/86/534610186.db2.gz VFGZLMMLYFIKAE-CQSZACIVSA-N 1 2 346.412 2.796 10 5 EFBELO CC[C@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1cccc([N+](=O)[O-])c1 ZINC000156518380 522499240 /nfs/dbraw/zinc/49/92/40/522499240.db2.gz HLOKDLMPJPYBJU-HIFRSBDPSA-N 1 2 328.372 2.621 10 5 EFBELO Cc1ccc(C[N@@H+](C)[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)o1 ZINC000067374801 524398291 /nfs/dbraw/zinc/39/82/91/524398291.db2.gz AISHWHYWXBTADK-MRXNPFEDSA-N 1 2 329.356 2.734 10 5 EFBELO Cc1ccc(C[N@H+](C)[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)o1 ZINC000067374801 524398299 /nfs/dbraw/zinc/39/82/99/524398299.db2.gz AISHWHYWXBTADK-MRXNPFEDSA-N 1 2 329.356 2.734 10 5 EFBELO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000177640889 526077717 /nfs/dbraw/zinc/07/77/17/526077717.db2.gz JVJIHGBWAZZPSC-GFCCVEGCSA-N 1 2 347.346 2.846 10 5 EFBELO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177816679 526607237 /nfs/dbraw/zinc/60/72/37/526607237.db2.gz WNVDLVZEGSUNQS-CYBMUJFWSA-N 1 2 334.763 2.750 10 5 EFBELO NC(=O)[C@H]1Cc2ccccc2C[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000119761663 527015547 /nfs/dbraw/zinc/01/55/47/527015547.db2.gz HEKULHXCERYSSD-QKYXPGDISA-N 1 2 337.379 2.520 10 5 EFBELO NC(=O)[C@H]1Cc2ccccc2C[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000119761663 527015553 /nfs/dbraw/zinc/01/55/53/527015553.db2.gz HEKULHXCERYSSD-QKYXPGDISA-N 1 2 337.379 2.520 10 5 EFBELO Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000154149383 527314589 /nfs/dbraw/zinc/31/45/89/527314589.db2.gz PUTUMCMDPUFCMD-UHFFFAOYSA-N 1 2 337.339 2.951 10 5 EFBELO O=C(Nc1nccs1)[C@@H]1CCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000074314168 527526502 /nfs/dbraw/zinc/52/65/02/527526502.db2.gz XZAZVSXGNCSRKR-ZDUSSCGKSA-N 1 2 332.385 2.654 10 5 EFBELO O=C(Nc1nccs1)[C@@H]1CCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000074314168 527526503 /nfs/dbraw/zinc/52/65/03/527526503.db2.gz XZAZVSXGNCSRKR-ZDUSSCGKSA-N 1 2 332.385 2.654 10 5 EFBELO CCOc1ccc(OCC[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)cc1 ZINC000353030791 535758054 /nfs/dbraw/zinc/75/80/54/535758054.db2.gz AOXHEFNHDDOSEL-UHFFFAOYSA-N 1 2 343.383 2.826 10 5 EFBELO CCOc1ccc(OCC[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)cc1 ZINC000353030791 535758060 /nfs/dbraw/zinc/75/80/60/535758060.db2.gz AOXHEFNHDDOSEL-UHFFFAOYSA-N 1 2 343.383 2.826 10 5 EFBELO CCc1ccc(C[NH+]2CCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)CC2)s1 ZINC000349250270 536175581 /nfs/dbraw/zinc/17/55/81/536175581.db2.gz YVBWCEXTILFKHG-UHFFFAOYSA-N 1 2 348.428 2.505 10 5 EFBELO CC[N@@H+]1CCN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C[C@@H]1C ZINC000683563220 549918205 /nfs/dbraw/zinc/91/82/05/549918205.db2.gz JQXXTKIIGYRTNG-AWEZNQCLSA-N 1 2 349.434 2.848 10 5 EFBELO CC[N@H+]1CCN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C[C@@H]1C ZINC000683563220 549918206 /nfs/dbraw/zinc/91/82/06/549918206.db2.gz JQXXTKIIGYRTNG-AWEZNQCLSA-N 1 2 349.434 2.848 10 5 EFBELO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000754871517 575507202 /nfs/dbraw/zinc/50/72/02/575507202.db2.gz HVTWLPIWFGZFTG-RAXLEYEMSA-N 1 2 336.351 2.962 10 5 EFBELO CC(=O)c1ccc2c(c1)CC[N@@H+](Cn1nc(C)c([N+](=O)[O-])c1C)CC2 ZINC000755773412 575631220 /nfs/dbraw/zinc/63/12/20/575631220.db2.gz PRAHZOKVGFIXSH-UHFFFAOYSA-N 1 2 342.399 2.669 10 5 EFBELO CC(=O)c1ccc2c(c1)CC[N@H+](Cn1nc(C)c([N+](=O)[O-])c1C)CC2 ZINC000755773412 575631225 /nfs/dbraw/zinc/63/12/25/575631225.db2.gz PRAHZOKVGFIXSH-UHFFFAOYSA-N 1 2 342.399 2.669 10 5 EFBELO Cc1cc(F)cc(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000758471520 575870518 /nfs/dbraw/zinc/87/05/18/575870518.db2.gz HANWNHVHHZRYQH-UHFFFAOYSA-N 1 2 332.335 2.785 10 5 EFBELO O=C(C[N@@H+]1CC[C@@H](C(F)F)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000761109213 576114903 /nfs/dbraw/zinc/11/49/03/576114903.db2.gz OMUOIWZNUAIGTQ-MRVPVSSYSA-N 1 2 333.722 2.774 10 5 EFBELO O=C(C[N@H+]1CC[C@@H](C(F)F)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000761109213 576114904 /nfs/dbraw/zinc/11/49/04/576114904.db2.gz OMUOIWZNUAIGTQ-MRVPVSSYSA-N 1 2 333.722 2.774 10 5 EFBELO Cc1ccc(COC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)c(C)[nH+]1 ZINC000771947569 581263125 /nfs/dbraw/zinc/26/31/25/581263125.db2.gz OJBVSJVQFAVHNY-UHFFFAOYSA-N 1 2 344.323 2.735 10 5 EFBELO Cc1ccc(COC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)c(C)[nH+]1 ZINC000772321157 581307798 /nfs/dbraw/zinc/30/77/98/581307798.db2.gz MCCYMQGTDNLQCN-UHFFFAOYSA-N 1 2 344.352 2.968 10 5 EFBELO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000825123863 1278419664 /nfs/dbraw/zinc/41/96/64/1278419664.db2.gz DSWBXPXVOBWKJP-UFBFGSQYSA-N 1 2 338.713 2.993 10 5 EFBELO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000825123863 1278419672 /nfs/dbraw/zinc/41/96/72/1278419672.db2.gz DSWBXPXVOBWKJP-UFBFGSQYSA-N 1 2 338.713 2.993 10 5 EFBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@H](C(F)(F)F)C2)c1 ZINC000844314705 1278859587 /nfs/dbraw/zinc/85/95/87/1278859587.db2.gz UHTUFJLEJICQRR-NSHDSACASA-N 1 2 332.278 2.766 10 5 EFBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@H](C(F)(F)F)C2)c1 ZINC000844314705 1278859591 /nfs/dbraw/zinc/85/95/91/1278859591.db2.gz UHTUFJLEJICQRR-NSHDSACASA-N 1 2 332.278 2.766 10 5 EFBELO Cc1nn(C)c(Cl)c1C[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000788003333 1276000753 /nfs/dbraw/zinc/00/07/53/1276000753.db2.gz ALPASJXAZMFXAB-UHFFFAOYSA-N 1 2 338.795 2.801 10 5 EFBELO Cc1nn(C)c(Cl)c1C[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000788003333 1276000762 /nfs/dbraw/zinc/00/07/62/1276000762.db2.gz ALPASJXAZMFXAB-UHFFFAOYSA-N 1 2 338.795 2.801 10 5 EFBELO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844437316 1279003757 /nfs/dbraw/zinc/00/37/57/1279003757.db2.gz JRCWBVSRHBLUDP-HNNXBMFYSA-N 1 2 339.342 2.963 10 5 EFBELO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844437316 1279003762 /nfs/dbraw/zinc/00/37/62/1279003762.db2.gz JRCWBVSRHBLUDP-HNNXBMFYSA-N 1 2 339.342 2.963 10 5 EFBELO C[C@@H](OC(=O)Cc1cn2c([nH+]1)CCCC2)c1ccccc1[N+](=O)[O-] ZINC000845452466 1279668745 /nfs/dbraw/zinc/66/87/45/1279668745.db2.gz XUHSNWKZSCUQMJ-GFCCVEGCSA-N 1 2 329.356 2.975 10 5 EFBELO C[C@@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)c1c(F)cccc1[N+](=O)[O-] ZINC000872045821 1287410652 /nfs/dbraw/zinc/41/06/52/1287410652.db2.gz RQQNTHLMISYHPU-PSASIEDQSA-N 1 2 349.284 2.548 10 5 EFBELO CN(C)c1cc(F)c(C(=O)Nc2ccn3cc[nH+]c3c2)cc1[N+](=O)[O-] ZINC001129594358 1280279353 /nfs/dbraw/zinc/27/93/53/1280279353.db2.gz PJDSBBNGKQXTIY-UHFFFAOYSA-N 1 2 343.318 2.700 10 5 EFBELO C[C@@H]([NH2+]Cc1ccc2c(c1)C(=O)NCC2)c1c(F)cccc1[N+](=O)[O-] ZINC000872063361 1287417059 /nfs/dbraw/zinc/41/70/59/1287417059.db2.gz VUCKTLDZDUICOK-LLVKDONJSA-N 1 2 343.358 2.871 10 5 EFBELO CC1(C)C[C@@H](O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC001175411972 1287420429 /nfs/dbraw/zinc/42/04/29/1287420429.db2.gz VUHQLJUDKIWLNQ-GFCCVEGCSA-N 1 2 343.221 2.950 10 5 EFBELO CC1(C)C[C@@H](O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC001175411972 1287420435 /nfs/dbraw/zinc/42/04/35/1287420435.db2.gz VUHQLJUDKIWLNQ-GFCCVEGCSA-N 1 2 343.221 2.950 10 5 EFBELO C[C@@H](CC(=O)Nc1nccc2cc([N+](=O)[O-])ccc21)n1cc[nH+]c1 ZINC001130955057 1281332881 /nfs/dbraw/zinc/33/28/81/1281332881.db2.gz XYUFDHUBDVQPNQ-NSHDSACASA-N 1 2 325.328 2.929 10 5 EFBELO CCn1nc(C)cc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001131737520 1282255264 /nfs/dbraw/zinc/25/52/64/1282255264.db2.gz ZDIAAGPZDVLPSE-UHFFFAOYSA-N 1 2 340.343 2.558 10 5 EFBELO O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1cccc2[nH+]ccn21 ZINC000811566173 1284395996 /nfs/dbraw/zinc/39/59/96/1284395996.db2.gz GILLYJVBNJZUQZ-UHFFFAOYSA-N 1 2 349.350 2.696 10 5 EFBELO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCS[C@@H](C(F)(F)F)C1 ZINC001176175532 1287727985 /nfs/dbraw/zinc/72/79/85/1287727985.db2.gz MVQZHQAXTUPXJW-GFCCVEGCSA-N 1 2 336.335 2.953 10 5 EFBELO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCS[C@@H](C(F)(F)F)C1 ZINC001176175532 1287727990 /nfs/dbraw/zinc/72/79/90/1287727990.db2.gz MVQZHQAXTUPXJW-GFCCVEGCSA-N 1 2 336.335 2.953 10 5 EFBELO CC1(C)C[C@@]1(C)CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001133225936 1285010246 /nfs/dbraw/zinc/01/02/46/1285010246.db2.gz ZDNXPHMPVQNRKP-KRWDZBQOSA-N 1 2 328.372 2.947 10 5 EFBELO CC[C@H](SC)C(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813172412 1285703065 /nfs/dbraw/zinc/70/30/65/1285703065.db2.gz HGRYLUCHPTVJLR-GJZGRUSLSA-N 1 2 338.429 2.854 10 5 EFBELO CC[C@H](SC)C(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813172412 1285703069 /nfs/dbraw/zinc/70/30/69/1285703069.db2.gz HGRYLUCHPTVJLR-GJZGRUSLSA-N 1 2 338.429 2.854 10 5 EFBELO CC(C)c1[nH]cc(CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)[nH+]1 ZINC001179092565 1289038193 /nfs/dbraw/zinc/03/81/93/1289038193.db2.gz PWMASXIMWDFZNZ-UHFFFAOYSA-N 1 2 339.355 2.920 10 5 EFBELO CC(C)c1[nH]c(CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)c[nH+]1 ZINC001179092565 1289038200 /nfs/dbraw/zinc/03/82/00/1289038200.db2.gz PWMASXIMWDFZNZ-UHFFFAOYSA-N 1 2 339.355 2.920 10 5 EFBELO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000873882043 1290100239 /nfs/dbraw/zinc/10/02/39/1290100239.db2.gz WWWSLUGEBUEQCZ-VXGBXAGGSA-N 1 2 334.763 2.733 10 5 EFBELO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000873882043 1290100244 /nfs/dbraw/zinc/10/02/44/1290100244.db2.gz WWWSLUGEBUEQCZ-VXGBXAGGSA-N 1 2 334.763 2.733 10 5 EFBELO O=[N+]([O-])c1cc(C[N@H+]2C[C@@H](CO)[C@H](C(F)(F)F)C2)ccc1Cl ZINC000877693251 1291332238 /nfs/dbraw/zinc/33/22/38/1291332238.db2.gz QIOSOADDLALDHX-VHSXEESVSA-N 1 2 338.713 2.851 10 5 EFBELO O=[N+]([O-])c1cc(C[N@@H+]2C[C@@H](CO)[C@H](C(F)(F)F)C2)ccc1Cl ZINC000877693251 1291332248 /nfs/dbraw/zinc/33/22/48/1291332248.db2.gz QIOSOADDLALDHX-VHSXEESVSA-N 1 2 338.713 2.851 10 5 EFBELO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CCCO1 ZINC001198686767 1295201583 /nfs/dbraw/zinc/20/15/83/1295201583.db2.gz XNPKXPVBNREFGR-ZBFHGGJFSA-N 1 2 347.415 2.875 10 5 EFBELO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1CCCO1 ZINC001198686767 1295201593 /nfs/dbraw/zinc/20/15/93/1295201593.db2.gz XNPKXPVBNREFGR-ZBFHGGJFSA-N 1 2 347.415 2.875 10 5 EFBELO Cc1[nH]c(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)[nH+]c1C ZINC001137260369 1295880639 /nfs/dbraw/zinc/88/06/39/1295880639.db2.gz FCGDYPFKYLZWGU-UHFFFAOYSA-N 1 2 334.351 2.668 10 5 EFBELO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCO[C@H](c3ccsc3)C2)cc1 ZINC000776585892 1299654961 /nfs/dbraw/zinc/65/49/61/1299654961.db2.gz CHSGNOVNGRWQPK-CVEARBPZSA-N 1 2 334.397 2.763 10 5 EFBELO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCO[C@H](c3ccsc3)C2)cc1 ZINC000776585892 1299654967 /nfs/dbraw/zinc/65/49/67/1299654967.db2.gz CHSGNOVNGRWQPK-CVEARBPZSA-N 1 2 334.397 2.763 10 5 EFBELO O=c1oc2ccc([N+](=O)[O-])cc2n1C[NH+]1CCC(C2CCC2)CC1 ZINC000853535123 1300152709 /nfs/dbraw/zinc/15/27/09/1300152709.db2.gz TWDREZYSFRQTNT-UHFFFAOYSA-N 1 2 331.372 2.972 10 5 EFBELO O=c1oc2cccc([N+](=O)[O-])c2n1C[NH+]1CCC(C2CCC2)CC1 ZINC000853535803 1300154133 /nfs/dbraw/zinc/15/41/33/1300154133.db2.gz CKRYUDAHNDZXNY-UHFFFAOYSA-N 1 2 331.372 2.972 10 5 EFBELO C[C@@H]1COC2(CCCC2)C[N@@H+]1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000853576699 1300174649 /nfs/dbraw/zinc/17/46/49/1300174649.db2.gz FAYKVWPCTDGJJN-CYBMUJFWSA-N 1 2 330.388 2.936 10 5 EFBELO C[C@@H]1COC2(CCCC2)C[N@H+]1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000853576699 1300174655 /nfs/dbraw/zinc/17/46/55/1300174655.db2.gz FAYKVWPCTDGJJN-CYBMUJFWSA-N 1 2 330.388 2.936 10 5 EFBELO CCC[N@H+](C[C@@H]1CCCCO1)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794626763 1302870210 /nfs/dbraw/zinc/87/02/10/1302870210.db2.gz VVBLHQJCGCVLDA-ZDUSSCGKSA-N 1 2 349.387 2.741 10 5 EFBELO CCC[N@@H+](C[C@@H]1CCCCO1)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794626763 1302870224 /nfs/dbraw/zinc/87/02/24/1302870224.db2.gz VVBLHQJCGCVLDA-ZDUSSCGKSA-N 1 2 349.387 2.741 10 5 EFBELO Cc1ccc(C[NH2+][C@@H](C(=O)N(C)C)c2ccccc2)cc1[N+](=O)[O-] ZINC000748820162 1314137178 /nfs/dbraw/zinc/13/71/78/1314137178.db2.gz GGIXJSSFSMCXED-QGZVFWFLSA-N 1 2 327.384 2.822 10 5 EFBELO Cc1nn(C[N@@H+]2CC[C@H](OC(F)F)C2)c2ccc([N+](=O)[O-])cc12 ZINC000802746539 1311983472 /nfs/dbraw/zinc/98/34/72/1311983472.db2.gz CTPHRJULIDAMCX-NSHDSACASA-N 1 2 326.303 2.524 10 5 EFBELO Cc1nn(C[N@H+]2CC[C@H](OC(F)F)C2)c2ccc([N+](=O)[O-])cc12 ZINC000802746539 1311983473 /nfs/dbraw/zinc/98/34/73/1311983473.db2.gz CTPHRJULIDAMCX-NSHDSACASA-N 1 2 326.303 2.524 10 5 EFBELO C[C@@H](NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC001291742677 1322004548 /nfs/dbraw/zinc/00/45/48/1322004548.db2.gz RZDQWDWKLSRTOO-BZNIZROVSA-N 1 2 343.387 2.576 10 5 EFBELO C[C@@H](NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC001291742677 1322004558 /nfs/dbraw/zinc/00/45/58/1322004558.db2.gz RZDQWDWKLSRTOO-BZNIZROVSA-N 1 2 343.387 2.576 10 5 EFBELO O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N1CCC(n2cc[nH+]c2)CC1 ZINC001292419443 1322071251 /nfs/dbraw/zinc/07/12/51/1322071251.db2.gz IWEUFSIBIFLWDA-UHFFFAOYSA-N 1 2 348.790 2.851 10 5 EFBELO O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccn2cc[nH+]c2c1 ZINC001297440753 1323216988 /nfs/dbraw/zinc/21/69/88/1323216988.db2.gz VDISTNLABQKMHL-UHFFFAOYSA-N 1 2 338.323 2.844 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(c2ncco2)CC1 ZINC001307986850 1324789082 /nfs/dbraw/zinc/78/90/82/1324789082.db2.gz DYHNLRLJXREHRY-UHFFFAOYSA-N 1 2 344.371 2.709 10 5 EFBELO CC(C)(COC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)n1cc[nH+]c1 ZINC001345250572 1332525737 /nfs/dbraw/zinc/52/57/37/1332525737.db2.gz DFNXXDCUCSFWIM-LSDHHAIUSA-N 1 2 329.356 2.873 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(c2c[nH+]cn2C)CC1 ZINC001348679248 1332858756 /nfs/dbraw/zinc/85/87/56/1332858756.db2.gz OBYLMHQPUPNJMI-UHFFFAOYSA-N 1 2 328.372 2.657 10 5 EFBELO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CC[C@@H]2[C@H](C1)C2(F)F ZINC001444996276 1391516763 /nfs/dbraw/zinc/51/67/63/1391516763.db2.gz QIDKPLWYBLRSLZ-NEPJUHHUSA-N 1 2 348.309 2.508 10 5 EFBELO CN(C)c1[nH+]ccc2cc(NC(=O)c3cc([N+](=O)[O-])c[nH]3)ccc21 ZINC001449801957 1392383211 /nfs/dbraw/zinc/38/32/11/1392383211.db2.gz QRCRPUQWCJPFCB-UHFFFAOYSA-N 1 2 325.328 2.789 10 5 EFBELO CC(C)c1[nH]cc(CNC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC001456341118 1394671205 /nfs/dbraw/zinc/67/12/05/1394671205.db2.gz KUOGXFFSCJSDSO-GJZGRUSLSA-N 1 2 328.372 2.861 10 5 EFBELO CC(C)c1[nH]c(CNC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)c[nH+]1 ZINC001456341118 1394671209 /nfs/dbraw/zinc/67/12/09/1394671209.db2.gz KUOGXFFSCJSDSO-GJZGRUSLSA-N 1 2 328.372 2.861 10 5 EFBELO Cc1cc(N2CCc3[nH+]c[nH]c3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001458411489 1395462743 /nfs/dbraw/zinc/46/27/43/1395462743.db2.gz BGMMWAAGAVFALZ-UHFFFAOYSA-N 1 2 336.355 2.646 10 5 EFBELO CC[NH+](CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)CC(C)C ZINC001464868288 1396623796 /nfs/dbraw/zinc/62/37/96/1396623796.db2.gz LKLOWSTWROSVOF-CQSZACIVSA-N 1 2 337.420 2.787 10 5 EFBELO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC001466003847 1396730850 /nfs/dbraw/zinc/73/08/50/1396730850.db2.gz JNOUHEABHNHXTI-MEDUHNTESA-N 1 2 346.362 2.962 10 5 EFBELO CN(C)c1cc[nH+]c(NC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)c1 ZINC001466379637 1396752216 /nfs/dbraw/zinc/75/22/16/1396752216.db2.gz VWMAZDHYAQHKOP-UHFFFAOYSA-N 1 2 335.751 2.544 10 5 EFBELO C[NH+](C)CCc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC001466629069 1396766908 /nfs/dbraw/zinc/76/69/08/1396766908.db2.gz PQQWWQGJSNKWIV-UHFFFAOYSA-N 1 2 329.356 2.657 10 5 EFBELO O=C(NCc1[nH]c2c([nH+]1)CCCC2)c1cc([N+](=O)[O-])ccc1Cl ZINC001472064301 1397242650 /nfs/dbraw/zinc/24/26/50/1397242650.db2.gz JWBDHWHJSUUTPY-UHFFFAOYSA-N 1 2 334.763 2.780 10 5 EFBELO COc1ccc2ncc([N+](=O)[O-])c(NCc3ccn4cc[nH+]c4c3)c2c1 ZINC001472728921 1397268046 /nfs/dbraw/zinc/26/80/46/1397268046.db2.gz OBPXPKYKRFVXJS-UHFFFAOYSA-N 1 2 349.350 2.833 10 5 EFBELO CCC[N@H+](CCNC(=O)c1cccnc1)Cc1csc([N+](=O)[O-])c1 ZINC001493268689 1398575987 /nfs/dbraw/zinc/57/59/87/1398575987.db2.gz DCTJRFAGXZNBTH-UHFFFAOYSA-N 1 2 348.428 2.693 10 5 EFBELO CCC[N@@H+](CCNC(=O)c1cccnc1)Cc1csc([N+](=O)[O-])c1 ZINC001493268689 1398576003 /nfs/dbraw/zinc/57/60/03/1398576003.db2.gz DCTJRFAGXZNBTH-UHFFFAOYSA-N 1 2 348.428 2.693 10 5 EFBELO CCC(CC)Nc1cc[nH+]cc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001556804744 1415089396 /nfs/dbraw/zinc/08/93/96/1415089396.db2.gz MYNIJYRUZXXHQM-UHFFFAOYSA-N 1 2 344.371 2.970 10 5 EFBELO O=[N+]([O-])c1cc2c(ncnc2NCc2[nH]c3c([nH+]2)CCCC3)s1 ZINC001559288302 1415237440 /nfs/dbraw/zinc/23/74/40/1415237440.db2.gz XJFRHPQQYHLSOK-UHFFFAOYSA-N 1 2 330.373 2.814 10 5 EFBELO CN(C)c1[nH+]ccc2c1CN(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC2 ZINC001559304010 1415238793 /nfs/dbraw/zinc/23/87/93/1415238793.db2.gz XZCFRTFNPPHDOI-UHFFFAOYSA-N 1 2 343.343 2.527 10 5 EFBELO Cc1[nH]c([C@@H]2CCCN2CC(=O)Nc2ccccc2[N+](=O)[O-])[nH+]c1C ZINC001560138330 1415264279 /nfs/dbraw/zinc/26/42/79/1415264279.db2.gz QHEWCYVBAZPPJW-HNNXBMFYSA-N 1 2 343.387 2.710 10 5 EFBELO COC(=O)[C@@H]1[C@@H](C[N@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)C1(F)F ZINC000893912427 720157057 /nfs/dbraw/zinc/15/70/57/720157057.db2.gz HIWZFNSWOWQWNJ-PWSUYJOCSA-N 1 2 348.733 2.734 10 5 EFBELO COC(=O)[C@@H]1[C@@H](C[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)C1(F)F ZINC000893912427 720157058 /nfs/dbraw/zinc/15/70/58/720157058.db2.gz HIWZFNSWOWQWNJ-PWSUYJOCSA-N 1 2 348.733 2.734 10 5 EFBELO Cc1ccc(C[N@@H+]2CCc3nc[nH]c3C23CCOCC3)cc1[N+](=O)[O-] ZINC000895071902 723182378 /nfs/dbraw/zinc/18/23/78/723182378.db2.gz WWLRTWHLDPRFRN-UHFFFAOYSA-N 1 2 342.399 2.690 10 5 EFBELO Cc1ccc(C[N@H+]2CCc3nc[nH]c3C23CCOCC3)cc1[N+](=O)[O-] ZINC000895071902 723182380 /nfs/dbraw/zinc/18/23/80/723182380.db2.gz WWLRTWHLDPRFRN-UHFFFAOYSA-N 1 2 342.399 2.690 10 5 EFBELO O=C(NC1(C2CC2)CCC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000895357537 724067426 /nfs/dbraw/zinc/06/74/26/724067426.db2.gz NBKCADUPVASXKA-UHFFFAOYSA-N 1 2 326.356 2.843 10 5 EFBELO CC(C)(CCC(=O)NCCn1c[nH+]cc1-c1ccccc1)[N+](=O)[O-] ZINC000913711853 725832426 /nfs/dbraw/zinc/83/24/26/725832426.db2.gz KGHYPXZWZJOECO-UHFFFAOYSA-N 1 2 330.388 2.502 10 5 EFBELO C[C@@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000912649911 727732286 /nfs/dbraw/zinc/73/22/86/727732286.db2.gz FXCGCCONLFXHRZ-OLZOCXBDSA-N 1 2 335.404 2.635 10 5 EFBELO C[C@@H](c1ccccc1Cl)[NH+]1CCN(Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000129728978 728138968 /nfs/dbraw/zinc/13/89/68/728138968.db2.gz MTLXNRNQFHKLGY-ZDUSSCGKSA-N 1 2 349.822 2.781 10 5 EFBELO CN(C(=O)C[NH2+][C@@H](CF)c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC001648100421 1089942797 /nfs/dbraw/zinc/94/27/97/1089942797.db2.gz WIPCZPRSQRYCGO-INIZCTEOSA-N 1 2 349.337 2.997 10 5 EFBELO CCOC(=O)[C@@H]1[C@@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C[C@@H]21 ZINC001648308179 1089978920 /nfs/dbraw/zinc/97/89/20/1089978920.db2.gz NHIZHHOMUSCBRB-VNHYZAJKSA-N 1 2 338.791 2.879 10 5 EFBELO CCOC(=O)[C@@H]1[C@@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C[C@@H]21 ZINC001648308179 1089978938 /nfs/dbraw/zinc/97/89/38/1089978938.db2.gz NHIZHHOMUSCBRB-VNHYZAJKSA-N 1 2 338.791 2.879 10 5 EFBELO O=C(NCC[NH+]1Cc2ccccc2C1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001648504462 1092224434 /nfs/dbraw/zinc/22/44/34/1092224434.db2.gz PGQMEWVCQVKWAC-UHFFFAOYSA-N 1 2 345.786 2.994 10 5 EFBELO C[C@H]1Cc2cnccc2N1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001586733500 1092756088 /nfs/dbraw/zinc/75/60/88/1092756088.db2.gz UULBHQVEAXOSFX-LBPRGKRZSA-N 1 2 349.350 2.767 10 5 EFBELO Cc1[nH]c(CNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])[nH+]c1C ZINC001587805262 1092855422 /nfs/dbraw/zinc/85/54/22/1092855422.db2.gz QLLFTFFNJWTHNW-UHFFFAOYSA-N 1 2 340.742 2.586 10 5 EFBELO Cc1ccc(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)o1 ZINC001595528084 1094475559 /nfs/dbraw/zinc/47/55/59/1094475559.db2.gz HEKIZISWVQFGPR-UHFFFAOYSA-N 1 2 326.312 2.612 10 5 EFBELO CCc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)nc1 ZINC001596286698 1094524237 /nfs/dbraw/zinc/52/42/37/1094524237.db2.gz XXAAFQNTSSYDCZ-UHFFFAOYSA-N 1 2 337.339 2.990 10 5 EFBELO O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC001598076800 1094651819 /nfs/dbraw/zinc/65/18/19/1094651819.db2.gz GHBOOLVVBOYYSH-UHFFFAOYSA-N 1 2 348.790 2.920 10 5 EFBELO O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCC(n2cc[nH+]c2)CC1 ZINC001626176122 1096908336 /nfs/dbraw/zinc/90/83/36/1096908336.db2.gz YEMVDANVGSXTKD-UHFFFAOYSA-N 1 2 334.763 2.922 10 5 EFBELO CCCC(=O)NC1(C)CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001270200977 1098792971 /nfs/dbraw/zinc/79/29/71/1098792971.db2.gz PLNHFXQOGZIESG-UHFFFAOYSA-N 1 2 325.434 2.927 10 5 EFBELO Cc1c([C@@H](C)[NH2+]Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)cnn1C ZINC001616988979 1099206465 /nfs/dbraw/zinc/20/64/65/1099206465.db2.gz NREGZTCYSXOEFY-SNVBAGLBSA-N 1 2 342.359 2.538 10 5 EFBELO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(c2ncco2)CC1 ZINC001620483676 1099356751 /nfs/dbraw/zinc/35/67/51/1099356751.db2.gz YQANWZCVVIJROU-LBPRGKRZSA-N 1 2 344.371 2.789 10 5 EFBELO O=C(NCc1ccn2cc[nH+]c2c1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001622735935 1099540106 /nfs/dbraw/zinc/54/01/06/1099540106.db2.gz XKIFMCLLYNTRCK-JKSUJKDBSA-N 1 2 336.351 2.662 10 5 EFBELO Cc1cc(NC(=O)c2c(N)cccc2[N+](=O)[O-])ccc1-n1cc[nH+]c1 ZINC001626969395 1099942510 /nfs/dbraw/zinc/94/25/10/1099942510.db2.gz USJCVVZCGGYGJP-UHFFFAOYSA-N 1 2 337.339 2.923 10 5 EFBELO Nc1c(Cl)cc(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC001628176177 1100071696 /nfs/dbraw/zinc/07/16/96/1100071696.db2.gz ZZCWAPQVKKMLEB-NSHDSACASA-N 1 2 349.778 2.504 10 5 EFBELO O=C(Nc1nccn1C1CC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001629770134 1100245158 /nfs/dbraw/zinc/24/51/58/1100245158.db2.gz LZJXFGQXSJERPF-UHFFFAOYSA-N 1 2 338.327 2.564 10 5 EFBELO O=C(N[C@H]1CCn2c[nH+]cc21)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001634084896 1100583390 /nfs/dbraw/zinc/58/33/90/1100583390.db2.gz KOGUPHHFZHWVRL-AWEZNQCLSA-N 1 2 349.350 2.728 10 5 EFBELO O=C(N[C@H]1CCn2c[nH+]cc21)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001634085522 1100583411 /nfs/dbraw/zinc/58/34/11/1100583411.db2.gz YLWBYJHGOPQWAA-JTQLQIEISA-N 1 2 341.154 2.973 10 5 EFBELO O=C(NCc1[nH]c2c([nH+]1)CCCC2)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC001635849831 1100684603 /nfs/dbraw/zinc/68/46/03/1100684603.db2.gz ATVBYZBPSOTUGL-UHFFFAOYSA-N 1 2 339.355 2.608 10 5 EFBELO Cc1[nH]c([C@@H]2CCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2)[nH+]c1C ZINC001638206614 1100841272 /nfs/dbraw/zinc/84/12/72/1100841272.db2.gz CDRDAZQDNFMJMJ-HNNXBMFYSA-N 1 2 328.372 2.841 10 5 EFBELO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC001638651406 1100876719 /nfs/dbraw/zinc/87/67/19/1100876719.db2.gz LTUOSPSGLXRVEC-UHFFFAOYSA-N 1 2 338.327 2.523 10 5 EFBELO COc1ccc(C(=O)N2CCC[C@@H]2c2[nH]c(C)c(C)[nH+]2)cc1[N+](=O)[O-] ZINC001651892327 1101401543 /nfs/dbraw/zinc/40/15/43/1101401543.db2.gz CINKVTCEIVFYIA-CYBMUJFWSA-N 1 2 344.371 2.921 10 5 EFBELO CC[C@@H](NC(=O)NCc1ccc[nH+]c1N)c1cccc([N+](=O)[O-])c1 ZINC001670668325 1101465108 /nfs/dbraw/zinc/46/51/08/1101465108.db2.gz ZBALFBADVYWKFR-CQSZACIVSA-N 1 2 329.360 2.523 10 5 EFBELO Cc1cn(C(C)(C)C(=O)N(C)CCc2ccccc2[N+](=O)[O-])c[nH+]1 ZINC000897726397 1106066414 /nfs/dbraw/zinc/06/64/14/1106066414.db2.gz PPZQJXPQSRIUFM-UHFFFAOYSA-N 1 2 330.388 2.536 10 5 EFBELO O=[N+]([O-])c1ccc(-c2nc(-c3cccnc3)no2)cc1-n1cc[nH+]c1 ZINC000904323487 1107816620 /nfs/dbraw/zinc/81/66/20/1107816620.db2.gz BGIBYUDMSPNMMG-UHFFFAOYSA-N 1 2 334.295 2.893 10 5 EFBELO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000898907416 1109129284 /nfs/dbraw/zinc/12/92/84/1109129284.db2.gz WSVZESGQJMWKSW-HNNXBMFYSA-N 1 2 344.415 2.912 10 5 EFBELO Cc1c(C[N@@H+]2CCC[C@@H]2C(=O)NCC(F)(F)F)cccc1[N+](=O)[O-] ZINC000054992027 214264176 /nfs/dbraw/zinc/26/41/76/214264176.db2.gz WVGJNTUXHAKQAZ-CYBMUJFWSA-N 1 2 345.321 2.546 10 5 EFBELO Cc1c(C[N@H+]2CCC[C@@H]2C(=O)NCC(F)(F)F)cccc1[N+](=O)[O-] ZINC000054992027 214264181 /nfs/dbraw/zinc/26/41/81/214264181.db2.gz WVGJNTUXHAKQAZ-CYBMUJFWSA-N 1 2 345.321 2.546 10 5 EFBELO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2cnn3ccccc23)CC1 ZINC000179590317 233199602 /nfs/dbraw/zinc/19/96/02/233199602.db2.gz FFZPXHPJLHSEJX-UHFFFAOYSA-N 1 2 337.383 2.565 10 5 EFBELO O=[N+]([O-])c1c(Nc2cccc3cccnc32)ncnc1-n1cc[nH+]c1 ZINC000040626567 213360951 /nfs/dbraw/zinc/36/09/51/213360951.db2.gz WXLRLKWKKGBNQA-UHFFFAOYSA-N 1 2 333.311 2.862 10 5 EFBELO Cc1sc(C(=O)NCC[N@@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000031909740 212758097 /nfs/dbraw/zinc/75/80/97/212758097.db2.gz NUEWYFUIRDUJEL-UHFFFAOYSA-N 1 2 345.424 2.753 10 5 EFBELO Cc1sc(C(=O)NCC[N@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000031909740 212758100 /nfs/dbraw/zinc/75/81/00/212758100.db2.gz NUEWYFUIRDUJEL-UHFFFAOYSA-N 1 2 345.424 2.753 10 5 EFBELO O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1CCn2c[nH+]cc2C1 ZINC000365722745 242332896 /nfs/dbraw/zinc/33/28/96/242332896.db2.gz BKXKVGKAAXZPAV-UHFFFAOYSA-N 1 2 344.374 2.534 10 5 EFBELO C[C@@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])[C@H](c1ccccc1)[NH+](C)C ZINC000356260289 296104359 /nfs/dbraw/zinc/10/43/59/296104359.db2.gz VNXXXPKOFLPCSE-SJKOYZFVSA-N 1 2 343.383 2.722 10 5 EFBELO COC(=O)[C@@H]1CSCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000412062850 243109255 /nfs/dbraw/zinc/10/92/55/243109255.db2.gz BSSWSBKQJLNRFB-NSHDSACASA-N 1 2 344.820 2.586 10 5 EFBELO COC(=O)[C@@H]1CSCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000412062850 243109261 /nfs/dbraw/zinc/10/92/61/243109261.db2.gz BSSWSBKQJLNRFB-NSHDSACASA-N 1 2 344.820 2.586 10 5 EFBELO CCOc1ccc(C(=O)NCc2cc(C)[nH+]c(C)c2)cc1[N+](=O)[O-] ZINC000421562048 246018438 /nfs/dbraw/zinc/01/84/38/246018438.db2.gz UOQJVMREKVTKRA-UHFFFAOYSA-N 1 2 329.356 2.935 10 5 EFBELO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCc1[nH+]ccn1CC(C)C ZINC000421773208 246108494 /nfs/dbraw/zinc/10/84/94/246108494.db2.gz IROBXIBTTLFKGQ-UHFFFAOYSA-N 1 2 330.388 2.994 10 5 EFBELO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000421782951 246114132 /nfs/dbraw/zinc/11/41/32/246114132.db2.gz DIQMCBNOIGEBFR-UHFFFAOYSA-N 1 2 328.372 2.955 10 5 EFBELO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000421782951 246114139 /nfs/dbraw/zinc/11/41/39/246114139.db2.gz DIQMCBNOIGEBFR-UHFFFAOYSA-N 1 2 328.372 2.955 10 5 EFBELO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CCOCC2(CC2)C1 ZINC000425452249 247091274 /nfs/dbraw/zinc/09/12/74/247091274.db2.gz CNONYRKWJNLPKZ-UHFFFAOYSA-N 1 2 341.205 2.970 10 5 EFBELO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CCOCC2(CC2)C1 ZINC000425452249 247091277 /nfs/dbraw/zinc/09/12/77/247091277.db2.gz CNONYRKWJNLPKZ-UHFFFAOYSA-N 1 2 341.205 2.970 10 5 EFBELO CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2-c2[nH]cc(C)[nH+]2)n1 ZINC000427620477 247372891 /nfs/dbraw/zinc/37/28/91/247372891.db2.gz HPJITVMZQXXYKI-UHFFFAOYSA-N 1 2 340.343 2.762 10 5 EFBELO Cc1nc([C@@](C)([NH2+]CCOc2cccc([N+](=O)[O-])c2)C2CC2)no1 ZINC000433288419 248037177 /nfs/dbraw/zinc/03/71/77/248037177.db2.gz NSSYOXRVLBBOCU-INIZCTEOSA-N 1 2 332.360 2.580 10 5 EFBELO CC[C@H](NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000442805457 250122348 /nfs/dbraw/zinc/12/23/48/250122348.db2.gz AKCZDKPSRFTDAQ-VIFPVBQESA-N 1 2 340.286 2.800 10 5 EFBELO C[C@@H](O)C1CC[NH+](Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000092969678 218183651 /nfs/dbraw/zinc/18/36/51/218183651.db2.gz YWNVSXZLCGZMFE-SNVBAGLBSA-N 1 2 343.221 2.950 10 5 EFBELO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000444861727 250359560 /nfs/dbraw/zinc/35/95/60/250359560.db2.gz UUXKVPOXSGONDB-ZDUSSCGKSA-N 1 2 346.390 2.696 10 5 EFBELO Cc1cccc(NC(=O)C[N@@H+](C)[C@@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC000095405122 218340215 /nfs/dbraw/zinc/34/02/15/218340215.db2.gz PCFYPCIWCJOSHW-ZDUSSCGKSA-N 1 2 328.372 2.930 10 5 EFBELO Cc1cccc(NC(=O)C[N@H+](C)[C@@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC000095405122 218340217 /nfs/dbraw/zinc/34/02/17/218340217.db2.gz PCFYPCIWCJOSHW-ZDUSSCGKSA-N 1 2 328.372 2.930 10 5 EFBELO O=[N+]([O-])c1ccc(C[N@H+]2CCOC[C@H]2C[C@H](O)c2ccco2)cc1 ZINC000268622301 252075834 /nfs/dbraw/zinc/07/58/34/252075834.db2.gz BTAFHQKHJYCIEX-CVEARBPZSA-N 1 2 332.356 2.512 10 5 EFBELO O=[N+]([O-])c1ccc(C[N@@H+]2CCOC[C@H]2C[C@H](O)c2ccco2)cc1 ZINC000268622301 252075839 /nfs/dbraw/zinc/07/58/39/252075839.db2.gz BTAFHQKHJYCIEX-CVEARBPZSA-N 1 2 332.356 2.512 10 5 EFBELO O=C(Nc1cc[nH+]cc1O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000097237575 219003161 /nfs/dbraw/zinc/00/31/61/219003161.db2.gz FLXQJLLGLFJXAC-UHFFFAOYSA-N 1 2 327.218 2.967 10 5 EFBELO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCO[C@H](C(=O)C2CC2)C1 ZINC000356308203 533382219 /nfs/dbraw/zinc/38/22/19/533382219.db2.gz SOUZXIMBFIPQBO-GQPJMJRUSA-N 1 2 330.384 2.678 10 5 EFBELO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCO[C@H](C(=O)C2CC2)C1 ZINC000356308203 533382229 /nfs/dbraw/zinc/38/22/29/533382229.db2.gz SOUZXIMBFIPQBO-GQPJMJRUSA-N 1 2 330.384 2.678 10 5 EFBELO O=[N+]([O-])c1cccnc1N1CCCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000069570032 296517172 /nfs/dbraw/zinc/51/71/72/296517172.db2.gz SCSDOMBNDNLOPG-UHFFFAOYSA-N 1 2 338.371 2.583 10 5 EFBELO Cc1csc([C@H]2C[N@H+](CCOc3ccc([N+](=O)[O-])cc3)CCO2)n1 ZINC000195395113 141380365 /nfs/dbraw/zinc/38/03/65/141380365.db2.gz ZZGGPVJMCAHPHT-OAHLLOKOSA-N 1 2 349.412 2.812 10 5 EFBELO Cc1csc([C@H]2C[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)CCO2)n1 ZINC000195395113 141380367 /nfs/dbraw/zinc/38/03/67/141380367.db2.gz ZZGGPVJMCAHPHT-OAHLLOKOSA-N 1 2 349.412 2.812 10 5 EFBELO C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000347802695 142274122 /nfs/dbraw/zinc/27/41/22/142274122.db2.gz XJMNEVWFWUTOTJ-HZSPNIEDSA-N 1 2 346.431 2.526 10 5 EFBELO C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000347802695 142274124 /nfs/dbraw/zinc/27/41/24/142274124.db2.gz XJMNEVWFWUTOTJ-HZSPNIEDSA-N 1 2 346.431 2.526 10 5 EFBELO CCCN(CC[NH+]1CCCCC1)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000342783671 145192500 /nfs/dbraw/zinc/19/25/00/145192500.db2.gz PFZCCBBFDSZQTL-UHFFFAOYSA-N 1 2 335.404 2.639 10 5 EFBELO O=[N+]([O-])c1ccc(-c2noc(C[NH2+][C@H](CO)c3ccsc3)n2)cc1 ZINC000352032024 146270616 /nfs/dbraw/zinc/27/06/16/146270616.db2.gz IXRWJCUPYUZQDA-CYBMUJFWSA-N 1 2 346.368 2.530 10 5 EFBELO CCOCc1nc([C@@H](C)[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])no1 ZINC000356293571 147203156 /nfs/dbraw/zinc/20/31/56/147203156.db2.gz LFJHMSNDEFHAJM-XYLWRLHESA-N 1 2 332.360 2.878 10 5 EFBELO Cc1cc(N2CCOCC3(CC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000360184611 148293255 /nfs/dbraw/zinc/29/32/55/148293255.db2.gz LSBOLCNWUIWAAQ-UHFFFAOYSA-N 1 2 340.383 2.977 10 5 EFBELO Cc1cn2c([nH+]1)CN(C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)CC2 ZINC000364017736 149050244 /nfs/dbraw/zinc/05/02/44/149050244.db2.gz XEGCBACODFCPHA-UHFFFAOYSA-N 1 2 346.362 2.559 10 5 EFBELO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000364375839 149138968 /nfs/dbraw/zinc/13/89/68/149138968.db2.gz LZEHHWSYZYYVOA-UHFFFAOYSA-N 1 2 334.763 2.991 10 5 EFBELO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000364375839 149138969 /nfs/dbraw/zinc/13/89/69/149138969.db2.gz LZEHHWSYZYYVOA-UHFFFAOYSA-N 1 2 334.763 2.991 10 5 EFBELO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000364414613 149144318 /nfs/dbraw/zinc/14/43/18/149144318.db2.gz FMEXBLRGVXFZOO-NHYWBVRUSA-N 1 2 344.371 2.817 10 5 EFBELO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCO[C@H](C2CC2)C1 ZINC000364414613 149144320 /nfs/dbraw/zinc/14/43/20/149144320.db2.gz FMEXBLRGVXFZOO-NHYWBVRUSA-N 1 2 344.371 2.817 10 5 EFBELO COc1cc(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc([N+](=O)[O-])c1C ZINC000364575208 149188442 /nfs/dbraw/zinc/18/84/42/149188442.db2.gz IIPAKUNBLKCHCZ-UHFFFAOYSA-N 1 2 344.371 2.655 10 5 EFBELO COc1cc(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc([N+](=O)[O-])c1C ZINC000364575208 149188443 /nfs/dbraw/zinc/18/84/43/149188443.db2.gz IIPAKUNBLKCHCZ-UHFFFAOYSA-N 1 2 344.371 2.655 10 5 EFBELO Cc1c(C[N@@H+]2CCOC[C@H]2C[C@H](O)c2ccco2)cccc1[N+](=O)[O-] ZINC000159630061 225251735 /nfs/dbraw/zinc/25/17/35/225251735.db2.gz HWJNZHUYOAQFTF-WBVHZDCISA-N 1 2 346.383 2.821 10 5 EFBELO Cc1c(C[N@H+]2CCOC[C@H]2C[C@H](O)c2ccco2)cccc1[N+](=O)[O-] ZINC000159630061 225251739 /nfs/dbraw/zinc/25/17/39/225251739.db2.gz HWJNZHUYOAQFTF-WBVHZDCISA-N 1 2 346.383 2.821 10 5 EFBELO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000122834172 222168310 /nfs/dbraw/zinc/16/83/10/222168310.db2.gz GCCDMJAMWANRDT-BLLLJJGKSA-N 1 2 344.371 2.523 10 5 EFBELO COc1cc(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000123613619 222305093 /nfs/dbraw/zinc/30/50/93/222305093.db2.gz CMLKMRLWCIQTES-IUODEOHRSA-N 1 2 344.371 2.523 10 5 EFBELO CN(C)c1[nH+]cccc1N(C)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087374278 264645813 /nfs/dbraw/zinc/64/58/13/264645813.db2.gz MXTXXCOUKFYCIA-UHFFFAOYSA-N 1 2 328.372 2.651 10 5 EFBELO NC(=O)c1coc(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000189423078 265190147 /nfs/dbraw/zinc/19/01/47/265190147.db2.gz LNAAZKKMIHSYJS-UHFFFAOYSA-N 1 2 341.323 2.837 10 5 EFBELO C[C@@H](NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccccc1[N+](=O)[O-] ZINC000271749109 266054423 /nfs/dbraw/zinc/05/44/23/266054423.db2.gz RZVYNEQQHSLPIH-CHWSQXEVSA-N 1 2 343.387 2.968 10 5 EFBELO CC[C@@H](NC(=O)N(C)Cc1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000271850899 266078563 /nfs/dbraw/zinc/07/85/63/266078563.db2.gz XKPGJCDRYCBRIM-CQSZACIVSA-N 1 2 331.376 2.621 10 5 EFBELO COc1ccc(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000272807693 266388737 /nfs/dbraw/zinc/38/87/37/266388737.db2.gz ISOYQRJDMORLTO-UHFFFAOYSA-N 1 2 345.359 2.738 10 5 EFBELO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000276321891 266963487 /nfs/dbraw/zinc/96/34/87/266963487.db2.gz OUYIEEDMJGFKKR-QGZVFWFLSA-N 1 2 343.358 2.971 10 5 EFBELO C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000276321891 266963491 /nfs/dbraw/zinc/96/34/91/266963491.db2.gz OUYIEEDMJGFKKR-QGZVFWFLSA-N 1 2 343.358 2.971 10 5 EFBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@H](S(C)(=O)=O)C1 ZINC000277839422 267276686 /nfs/dbraw/zinc/27/66/86/267276686.db2.gz SCDQSDZZFVFJHS-WFASDCNBSA-N 1 2 326.418 2.555 10 5 EFBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCCC[C@H](S(C)(=O)=O)C1 ZINC000277839422 267276688 /nfs/dbraw/zinc/27/66/88/267276688.db2.gz SCDQSDZZFVFJHS-WFASDCNBSA-N 1 2 326.418 2.555 10 5 EFBELO CCOc1ccc([C@@H](C)[NH2+]Cc2nnc3ccccn32)cc1[N+](=O)[O-] ZINC000183798202 273048547 /nfs/dbraw/zinc/04/85/47/273048547.db2.gz XDSOVXTZGPNGNG-GFCCVEGCSA-N 1 2 341.371 2.887 10 5 EFBELO COC(=O)c1cnc(Nc2ccc(N3CCCC3)[nH+]c2)c([N+](=O)[O-])c1 ZINC000276605011 273138625 /nfs/dbraw/zinc/13/86/25/273138625.db2.gz RSTYBWWZSKHLDL-UHFFFAOYSA-N 1 2 343.343 2.515 10 5 EFBELO CC[NH+](CC)[C@H](CNC(=O)c1cccc(O)c1[N+](=O)[O-])c1ccco1 ZINC000280825155 273371034 /nfs/dbraw/zinc/37/10/34/273371034.db2.gz SCSTZMGNMJPUIV-CYBMUJFWSA-N 1 2 347.371 2.706 10 5 EFBELO Cn1nccc1C1=CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000285705503 274057297 /nfs/dbraw/zinc/05/72/97/274057297.db2.gz SQXPXHPJQZNYAI-UHFFFAOYSA-N 1 2 339.355 2.759 10 5 EFBELO Cn1nccc1C1=CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000285705503 274057298 /nfs/dbraw/zinc/05/72/98/274057298.db2.gz SQXPXHPJQZNYAI-UHFFFAOYSA-N 1 2 339.355 2.759 10 5 EFBELO COc1ccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)c(OC)n1 ZINC000289534725 274777888 /nfs/dbraw/zinc/77/78/88/274777888.db2.gz JIZNPASESSXGTL-UHFFFAOYSA-N 1 2 337.763 2.950 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1ccccc1S(C)(=O)=O ZINC000414500678 278745950 /nfs/dbraw/zinc/74/59/50/278745950.db2.gz CIWCTJBIBYABKN-UHFFFAOYSA-N 1 2 334.397 2.597 10 5 EFBELO Cc1cn2c([nH+]1)CN(c1ccc([N+](=O)[O-])cc1Br)CC2 ZINC000359900381 279003666 /nfs/dbraw/zinc/00/36/66/279003666.db2.gz PNUCHWJFJNRCLQ-UHFFFAOYSA-N 1 2 337.177 2.882 10 5 EFBELO CC[N@H+](C)Cc1cccc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])c1 ZINC000346228194 279040491 /nfs/dbraw/zinc/04/04/91/279040491.db2.gz YWGHHOOWQJZRRD-UHFFFAOYSA-N 1 2 343.383 2.682 10 5 EFBELO CC[N@@H+](C)Cc1cccc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])c1 ZINC000346228194 279040494 /nfs/dbraw/zinc/04/04/94/279040494.db2.gz YWGHHOOWQJZRRD-UHFFFAOYSA-N 1 2 343.383 2.682 10 5 EFBELO CCn1c2ccc(F)cc2[nH+]c1Cn1cc([N+](=O)[O-])cc(C)c1=O ZINC000127289075 293064951 /nfs/dbraw/zinc/06/49/51/293064951.db2.gz SEDBOORWQRSMKQ-UHFFFAOYSA-N 1 2 330.319 2.622 10 5 EFBELO O=C(NCc1cn2cc(Cl)ccc2[nH+]1)c1ccc(F)cc1[N+](=O)[O-] ZINC000132474964 293228803 /nfs/dbraw/zinc/22/88/03/293228803.db2.gz SWLBRQVMCABLRT-UHFFFAOYSA-N 1 2 348.721 2.965 10 5 EFBELO C[C@H]1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)C[C@H]1n1cc[nH+]c1 ZINC000152854140 293350597 /nfs/dbraw/zinc/35/05/97/293350597.db2.gz DRRFBVNSOLDNJP-XJKSGUPXSA-N 1 2 343.387 2.584 10 5 EFBELO C[C@@H](C(=O)Nc1ccccc1)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153233149 293367033 /nfs/dbraw/zinc/36/70/33/293367033.db2.gz DWVGSXXSGWPIPV-ZDUSSCGKSA-N 1 2 325.368 2.980 10 5 EFBELO C[C@@H](C(=O)Nc1ccccc1)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153233149 293367035 /nfs/dbraw/zinc/36/70/35/293367035.db2.gz DWVGSXXSGWPIPV-ZDUSSCGKSA-N 1 2 325.368 2.980 10 5 EFBELO CC[C@H]1C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])CCN1CC(F)F ZINC000153431191 293374941 /nfs/dbraw/zinc/37/49/41/293374941.db2.gz UYGVWRBNHFCLAP-NSHDSACASA-N 1 2 331.338 2.895 10 5 EFBELO CC[C@H]1C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])CCN1CC(F)F ZINC000153431191 293374943 /nfs/dbraw/zinc/37/49/43/293374943.db2.gz UYGVWRBNHFCLAP-NSHDSACASA-N 1 2 331.338 2.895 10 5 EFBELO CC[C@H]1C[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)CCN1CC(F)F ZINC000153495525 293379173 /nfs/dbraw/zinc/37/91/73/293379173.db2.gz RJXOGQLKNWWBKZ-ZDUSSCGKSA-N 1 2 343.374 2.765 10 5 EFBELO CC[C@H]1C[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)CCN1CC(F)F ZINC000153495525 293379174 /nfs/dbraw/zinc/37/91/74/293379174.db2.gz RJXOGQLKNWWBKZ-ZDUSSCGKSA-N 1 2 343.374 2.765 10 5 EFBELO COC(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000290134606 294007831 /nfs/dbraw/zinc/00/78/31/294007831.db2.gz ZWDRSQKMSYJCMS-MRVPVSSYSA-N 1 2 333.171 2.897 10 5 EFBELO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000290134606 294007833 /nfs/dbraw/zinc/00/78/33/294007833.db2.gz ZWDRSQKMSYJCMS-MRVPVSSYSA-N 1 2 333.171 2.897 10 5 EFBELO CCOc1cc(N2CC[NH+](Cc3conc3C)CC2)ccc1[N+](=O)[O-] ZINC000294593859 295191187 /nfs/dbraw/zinc/19/11/87/295191187.db2.gz HNTIJJDBLIOKGP-UHFFFAOYSA-N 1 2 346.387 2.612 10 5 EFBELO COc1cc(F)c([N+](=O)[O-])c(N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000301659099 311150724 /nfs/dbraw/zinc/15/07/24/311150724.db2.gz WONNHGNNNUJERZ-GFCCVEGCSA-N 1 2 333.319 2.795 10 5 EFBELO O=[N+]([O-])c1ccc(F)cc1NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000302816416 311202447 /nfs/dbraw/zinc/20/24/47/311202447.db2.gz LPRYQUMRIGLZLP-UHFFFAOYSA-N 1 2 332.335 2.578 10 5 EFBELO Cn1c[nH+]c(CCNc2ccc([N+](=O)[O-])cc2Br)c1 ZINC000313472838 311232591 /nfs/dbraw/zinc/23/25/91/311232591.db2.gz SSTIYALNXIXOIO-UHFFFAOYSA-N 1 2 325.166 2.745 10 5 EFBELO C[C@@](CO)([NH2+]Cc1c(Cl)cccc1[N+](=O)[O-])c1cccc(O)c1 ZINC000451035489 312803254 /nfs/dbraw/zinc/80/32/54/312803254.db2.gz CBGUQSJFWIOJJZ-INIZCTEOSA-N 1 2 336.775 2.951 10 5 EFBELO C[C@](CO)([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)c1cccc(O)c1 ZINC000451041307 312804104 /nfs/dbraw/zinc/80/41/04/312804104.db2.gz MUVLMRFPNIOQJV-MRXNPFEDSA-N 1 2 338.310 2.576 10 5 EFBELO O=[N+]([O-])c1cccc(F)c1C[NH+]1CCC(Oc2cnccn2)CC1 ZINC000488811269 313515615 /nfs/dbraw/zinc/51/56/15/313515615.db2.gz XENXYZRCNXHVBD-UHFFFAOYSA-N 1 2 332.335 2.567 10 5 EFBELO O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCN(c2ccccc2F)CC1 ZINC000505314653 315454605 /nfs/dbraw/zinc/45/46/05/315454605.db2.gz PEQFYJCKVLJPOR-UHFFFAOYSA-N 1 2 331.347 2.762 10 5 EFBELO CNc1ccc(C(=O)Nc2ccc3[nH+]c(C)cn3c2)cc1[N+](=O)[O-] ZINC000524022398 316144583 /nfs/dbraw/zinc/14/45/83/316144583.db2.gz OLCKUHKNEXOWRM-UHFFFAOYSA-N 1 2 325.328 2.845 10 5 EFBELO O=[N+]([O-])c1cccc2c1CC[N@H+](CCOCC(F)(F)C(F)F)C2 ZINC000527048554 316326273 /nfs/dbraw/zinc/32/62/73/316326273.db2.gz HRVYSBCENNIUHS-UHFFFAOYSA-N 1 2 336.285 2.870 10 5 EFBELO O=[N+]([O-])c1cccc2c1CC[N@@H+](CCOCC(F)(F)C(F)F)C2 ZINC000527048554 316326276 /nfs/dbraw/zinc/32/62/76/316326276.db2.gz HRVYSBCENNIUHS-UHFFFAOYSA-N 1 2 336.285 2.870 10 5 EFBELO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc([N+](=O)[O-])cn1 ZINC000531631284 317294027 /nfs/dbraw/zinc/29/40/27/317294027.db2.gz DDNABPVJWFONGI-UHFFFAOYSA-N 1 2 327.275 2.567 10 5 EFBELO CNc1ccc(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000532345525 317389160 /nfs/dbraw/zinc/38/91/60/317389160.db2.gz AABSBYSQUVMENG-LRDDRELGSA-N 1 2 343.387 2.556 10 5 EFBELO Cc1cccc(CN[C@@H](c2[nH+]ccn2C)c2cccc([N+](=O)[O-])c2)n1 ZINC000552037730 318239315 /nfs/dbraw/zinc/23/93/15/318239315.db2.gz HAJJLLFOEOQLQT-QGZVFWFLSA-N 1 2 337.383 2.911 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN([C@@H](C)C(F)(F)F)CC1 ZINC000183390608 323332512 /nfs/dbraw/zinc/33/25/12/323332512.db2.gz CEEJQWIZUAAJRG-LBPRGKRZSA-N 1 2 331.338 2.972 10 5 EFBELO Cn1cc(-c2cc(C[N@H+](C)Cc3ccccc3[N+](=O)[O-])on2)cn1 ZINC000184973708 473287340 /nfs/dbraw/zinc/28/73/40/473287340.db2.gz KUBHXQQVJBVYLR-UHFFFAOYSA-N 1 2 327.344 2.615 10 5 EFBELO Cn1cc(-c2cc(C[N@@H+](C)Cc3ccccc3[N+](=O)[O-])on2)cn1 ZINC000184973708 473287348 /nfs/dbraw/zinc/28/73/48/473287348.db2.gz KUBHXQQVJBVYLR-UHFFFAOYSA-N 1 2 327.344 2.615 10 5 EFBELO CC1(C)[C@H](O)CC[N@@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000311593728 474840677 /nfs/dbraw/zinc/84/06/77/474840677.db2.gz AZXRUIMDNHILCQ-GFCCVEGCSA-N 1 2 329.194 2.703 10 5 EFBELO CC1(C)[C@H](O)CC[N@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000311593728 474840682 /nfs/dbraw/zinc/84/06/82/474840682.db2.gz AZXRUIMDNHILCQ-GFCCVEGCSA-N 1 2 329.194 2.703 10 5 EFBELO CC1(C)[C@@H](O)CC[N@@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000311593730 474842040 /nfs/dbraw/zinc/84/20/40/474842040.db2.gz AZXRUIMDNHILCQ-LBPRGKRZSA-N 1 2 329.194 2.703 10 5 EFBELO CC1(C)[C@@H](O)CC[N@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000311593730 474842043 /nfs/dbraw/zinc/84/20/43/474842043.db2.gz AZXRUIMDNHILCQ-LBPRGKRZSA-N 1 2 329.194 2.703 10 5 EFBELO CNC(=O)c1ccc(NCc2cn3ccc(C)cc3[nH+]2)c([N+](=O)[O-])c1 ZINC000053576968 472021348 /nfs/dbraw/zinc/02/13/48/472021348.db2.gz CCFZCYYDWYHRJW-UHFFFAOYSA-N 1 2 339.355 2.523 10 5 EFBELO O=C(NCc1[nH+]ccn1CC(F)(F)F)Nc1cccc([N+](=O)[O-])c1 ZINC000075962005 472228186 /nfs/dbraw/zinc/22/81/86/472228186.db2.gz PJVINVMLKWZNRV-UHFFFAOYSA-N 1 2 343.265 2.675 10 5 EFBELO C[C@@H]1CN(c2ccc(CNc3ccc([N+](=O)[O-])nc3)c[nH+]2)C[C@@H](C)O1 ZINC000076777200 472401818 /nfs/dbraw/zinc/40/18/18/472401818.db2.gz RRVZFMCVBCKHCO-CHWSQXEVSA-N 1 2 343.387 2.611 10 5 EFBELO CCc1ccc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)s1 ZINC000128707448 472487003 /nfs/dbraw/zinc/48/70/03/472487003.db2.gz VCNOZSOSKALIAO-UHFFFAOYSA-N 1 2 349.412 2.770 10 5 EFBELO CC[C@H](NC(=O)NCCCn1cc[nH+]c1)c1cccc([N+](=O)[O-])c1 ZINC000090073664 472592194 /nfs/dbraw/zinc/59/21/94/472592194.db2.gz JNQITSQVZRMHCX-HNNXBMFYSA-N 1 2 331.376 2.632 10 5 EFBELO O=C(NCCc1[nH+]ccn1C(F)F)c1cc([N+](=O)[O-])ccc1Cl ZINC000071899696 472607121 /nfs/dbraw/zinc/60/71/21/472607121.db2.gz LFAHRHLXCCVDGZ-UHFFFAOYSA-N 1 2 344.705 2.812 10 5 EFBELO Cc1ncc(C[NH+]2CCN(Cc3ccc(C)c([N+](=O)[O-])c3)CC2)s1 ZINC000120434284 472687817 /nfs/dbraw/zinc/68/78/17/472687817.db2.gz UBJJGLFGBGLDHK-UHFFFAOYSA-N 1 2 346.456 2.986 10 5 EFBELO Cc1nn(C)c(N2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)c1[N+](=O)[O-] ZINC000091629096 472786232 /nfs/dbraw/zinc/78/62/32/472786232.db2.gz CEWDRRKSDWTHBT-ZDUSSCGKSA-N 1 2 347.394 2.659 10 5 EFBELO Cc1sc(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)cc1[N+](=O)[O-] ZINC000121053079 472790509 /nfs/dbraw/zinc/79/05/09/472790509.db2.gz QFSJMPKYHLXAST-UHFFFAOYSA-N 1 2 338.414 2.661 10 5 EFBELO Cc1sc(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)cc1[N+](=O)[O-] ZINC000121053079 472790518 /nfs/dbraw/zinc/79/05/18/472790518.db2.gz QFSJMPKYHLXAST-UHFFFAOYSA-N 1 2 338.414 2.661 10 5 EFBELO Cc1noc([C@H](C)N2CC[NH+]([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000105864201 472791506 /nfs/dbraw/zinc/79/15/06/472791506.db2.gz AJYHQZFMWDMMOW-OLZOCXBDSA-N 1 2 345.403 2.726 10 5 EFBELO Cc1noc([C@@H](C)N2CC[NH+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000105864193 472793295 /nfs/dbraw/zinc/79/32/95/472793295.db2.gz AJYHQZFMWDMMOW-QWHCGFSZSA-N 1 2 345.403 2.726 10 5 EFBELO Cc1ccc([C@H]2C[N@H+](CCOc3ccccc3[N+](=O)[O-])CCO2)o1 ZINC000158744579 472964640 /nfs/dbraw/zinc/96/46/40/472964640.db2.gz JOJPUTWVMCTEEG-QGZVFWFLSA-N 1 2 332.356 2.949 10 5 EFBELO Cc1ccc([C@H]2C[N@@H+](CCOc3ccccc3[N+](=O)[O-])CCO2)o1 ZINC000158744579 472964645 /nfs/dbraw/zinc/96/46/45/472964645.db2.gz JOJPUTWVMCTEEG-QGZVFWFLSA-N 1 2 332.356 2.949 10 5 EFBELO CC(C)[C@H](C)NC(=O)C1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000092754550 472979433 /nfs/dbraw/zinc/97/94/33/472979433.db2.gz YIYVUWUANUAHNN-ZDUSSCGKSA-N 1 2 349.431 2.673 10 5 EFBELO COc1cc(C[NH+]2CCC(c3ccn[nH]3)CC2)c([N+](=O)[O-])cc1OC ZINC000092810822 472988573 /nfs/dbraw/zinc/98/85/73/472988573.db2.gz QUJYLVOSWRAWJY-UHFFFAOYSA-N 1 2 346.387 2.715 10 5 EFBELO CCc1nn(C)c(NCc2cn3cc(Cl)ccc3[nH+]2)c1[N+](=O)[O-] ZINC000092827963 472994424 /nfs/dbraw/zinc/99/44/24/472994424.db2.gz HETQDMBFONZWDF-UHFFFAOYSA-N 1 2 334.767 2.804 10 5 EFBELO Cc1nc2[nH]ccc2c(N2CCN(c3ccccc3[N+](=O)[O-])CC2)[nH+]1 ZINC000080774146 473082584 /nfs/dbraw/zinc/08/25/84/473082584.db2.gz RBBYBWYIBOOGEN-UHFFFAOYSA-N 1 2 338.371 2.501 10 5 EFBELO C[C@@H]1CN(c2ccc(CNc3ncccc3[N+](=O)[O-])c[nH+]2)C[C@H](C)O1 ZINC000052218706 473095204 /nfs/dbraw/zinc/09/52/04/473095204.db2.gz KJRQAVJDIVQPGP-BETUJISGSA-N 1 2 343.387 2.611 10 5 EFBELO O=[N+]([O-])c1cnccc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000066796638 473154454 /nfs/dbraw/zinc/15/44/54/473154454.db2.gz KDADUNYVKHJRDL-UHFFFAOYSA-N 1 2 332.791 2.965 10 5 EFBELO CC[C@@H]([NH2+][C@H]1CCCn2nc(COC)nc21)c1cccc([N+](=O)[O-])c1 ZINC000125326736 473394836 /nfs/dbraw/zinc/39/48/36/473394836.db2.gz UWIDZVPBFRAWKK-CABCVRRESA-N 1 2 345.403 2.909 10 5 EFBELO COCc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000151196789 473424610 /nfs/dbraw/zinc/42/46/10/473424610.db2.gz BXIBUAQFRFETCX-BXUZGUMPSA-N 1 2 331.376 2.518 10 5 EFBELO COc1ccc(C[N@@H+]2CCO[C@@H](c3cccc(O)c3)C2)cc1[N+](=O)[O-] ZINC000126758783 473543373 /nfs/dbraw/zinc/54/33/73/473543373.db2.gz QMBCOQDBIZJDNP-GOSISDBHSA-N 1 2 344.367 2.883 10 5 EFBELO COc1ccc(C[N@H+]2CCO[C@@H](c3cccc(O)c3)C2)cc1[N+](=O)[O-] ZINC000126758783 473543382 /nfs/dbraw/zinc/54/33/82/473543382.db2.gz QMBCOQDBIZJDNP-GOSISDBHSA-N 1 2 344.367 2.883 10 5 EFBELO Cc1cc(C(=O)N2CCCN(c3cccc[nH+]3)CC2)cc([N+](=O)[O-])c1 ZINC000186379940 473664398 /nfs/dbraw/zinc/66/43/98/473664398.db2.gz PDBVGDISXXAYSZ-UHFFFAOYSA-N 1 2 340.383 2.651 10 5 EFBELO Cc1ccc([C@H]2COCC[N@@H+]2C[C@@H](O)c2cccc([N+](=O)[O-])c2)o1 ZINC000246290613 473817919 /nfs/dbraw/zinc/81/79/19/473817919.db2.gz ORKXOGBXTXTGCP-HZPDHXFCSA-N 1 2 332.356 2.603 10 5 EFBELO Cc1ccc([C@H]2COCC[N@H+]2C[C@@H](O)c2cccc([N+](=O)[O-])c2)o1 ZINC000246290613 473817924 /nfs/dbraw/zinc/81/79/24/473817924.db2.gz ORKXOGBXTXTGCP-HZPDHXFCSA-N 1 2 332.356 2.603 10 5 EFBELO COc1cnccc1[C@@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000187101565 473818049 /nfs/dbraw/zinc/81/80/49/473818049.db2.gz XLOHIAVQLIJFAF-SNVBAGLBSA-N 1 2 328.328 2.990 10 5 EFBELO C[C@@H](NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000263752190 473834855 /nfs/dbraw/zinc/83/48/55/473834855.db2.gz FPUKTQBVFJBWQU-GFCCVEGCSA-N 1 2 343.387 2.968 10 5 EFBELO CC(C)Cn1cc[nH+]c1CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000173454472 473843700 /nfs/dbraw/zinc/84/37/00/473843700.db2.gz PUTSWKMBUCXFBZ-UHFFFAOYSA-N 1 2 345.403 2.789 10 5 EFBELO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCO[C@H](c3ccsc3)C2)c1 ZINC000269676400 473856793 /nfs/dbraw/zinc/85/67/93/473856793.db2.gz WNROJBIPUKLFND-CVEARBPZSA-N 1 2 334.397 2.763 10 5 EFBELO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCO[C@H](c3ccsc3)C2)c1 ZINC000269676400 473856799 /nfs/dbraw/zinc/85/67/99/473856799.db2.gz WNROJBIPUKLFND-CVEARBPZSA-N 1 2 334.397 2.763 10 5 EFBELO O=[N+]([O-])c1ccc(Cl)c(CN2CCC[C@@H]2C[NH+]2CCOCC2)c1 ZINC000174013121 473972334 /nfs/dbraw/zinc/97/23/34/473972334.db2.gz BZXAJDAVPMCMEL-OAHLLOKOSA-N 1 2 339.823 2.545 10 5 EFBELO CC[C@@H]([NH2+]Cc1csc(CC(=O)NC)n1)c1cccc([N+](=O)[O-])c1 ZINC000181533115 474045196 /nfs/dbraw/zinc/04/51/96/474045196.db2.gz IDZQEWZQMOQFCX-CQSZACIVSA-N 1 2 348.428 2.581 10 5 EFBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(C(=O)N2CCCCC2)CC1 ZINC000198829790 474120383 /nfs/dbraw/zinc/12/03/83/474120383.db2.gz XZWAIZOAQBKTNN-HNNXBMFYSA-N 1 2 346.431 2.879 10 5 EFBELO CC[C@@H](NC(=O)NCCCn1cc[nH+]c1)c1cccc([N+](=O)[O-])c1 ZINC000175500862 474237307 /nfs/dbraw/zinc/23/73/07/474237307.db2.gz JNQITSQVZRMHCX-OAHLLOKOSA-N 1 2 331.376 2.632 10 5 EFBELO COc1ccc(F)cc1C[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC000189203527 474324045 /nfs/dbraw/zinc/32/40/45/474324045.db2.gz HMGCFJIEZAAQON-UHFFFAOYSA-N 1 2 336.319 2.747 10 5 EFBELO Cc1nc(C[N@@H+]2CCCN(c3cc(C)c([N+](=O)[O-])cn3)CC2)cs1 ZINC000266859059 474507491 /nfs/dbraw/zinc/50/74/91/474507491.db2.gz WCKWOMVYDQYWKF-UHFFFAOYSA-N 1 2 347.444 2.775 10 5 EFBELO Cc1nc(C[N@H+]2CCCN(c3cc(C)c([N+](=O)[O-])cn3)CC2)cs1 ZINC000266859059 474507498 /nfs/dbraw/zinc/50/74/98/474507498.db2.gz WCKWOMVYDQYWKF-UHFFFAOYSA-N 1 2 347.444 2.775 10 5 EFBELO COC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 ZINC000283979910 474541121 /nfs/dbraw/zinc/54/11/21/474541121.db2.gz FSVRIQBSQBPUSO-HNNXBMFYSA-N 1 2 331.328 2.980 10 5 EFBELO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCO[C@@H]4CCCC[C@H]43)o2)cc1 ZINC000249711910 474605307 /nfs/dbraw/zinc/60/53/07/474605307.db2.gz FLMXRCOSQRPQBS-HUUCEWRRSA-N 1 2 344.371 2.788 10 5 EFBELO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCO[C@@H]4CCCC[C@H]43)o2)cc1 ZINC000249711910 474605312 /nfs/dbraw/zinc/60/53/12/474605312.db2.gz FLMXRCOSQRPQBS-HUUCEWRRSA-N 1 2 344.371 2.788 10 5 EFBELO C[C@@H](NC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000609139324 480117473 /nfs/dbraw/zinc/11/74/73/480117473.db2.gz BHWGBEFAHXKJMU-CZUORRHYSA-N 1 2 343.387 2.899 10 5 EFBELO C[C@H](NC(=O)N1CCC[C@H](n2cc[nH+]c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000609139322 480117738 /nfs/dbraw/zinc/11/77/38/480117738.db2.gz BHWGBEFAHXKJMU-BBRMVZONSA-N 1 2 343.387 2.899 10 5 EFBELO O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000267374643 474663864 /nfs/dbraw/zinc/66/38/64/474663864.db2.gz QOPXEGIQPHFKDT-UHFFFAOYSA-N 1 2 334.763 2.991 10 5 EFBELO O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000267948753 474719964 /nfs/dbraw/zinc/71/99/64/474719964.db2.gz GCNDSYDMRIKYKJ-UHFFFAOYSA-N 1 2 328.372 2.657 10 5 EFBELO CC[C@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@@H](CC)CN1C(C)=O ZINC000339009775 474831879 /nfs/dbraw/zinc/83/18/79/474831879.db2.gz JHGHLTVLESNPIM-GJZGRUSLSA-N 1 2 335.404 2.522 10 5 EFBELO CC[C@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@@H](CC)CN1C(C)=O ZINC000339009775 474831885 /nfs/dbraw/zinc/83/18/85/474831885.db2.gz JHGHLTVLESNPIM-GJZGRUSLSA-N 1 2 335.404 2.522 10 5 EFBELO C[C@H]([NH2+]Cc1c(Br)cnn1C)c1ccccc1[N+](=O)[O-] ZINC000278796383 474841259 /nfs/dbraw/zinc/84/12/59/474841259.db2.gz RCYKSPVIIBVHSO-VIFPVBQESA-N 1 2 339.193 2.942 10 5 EFBELO COc1cc(C(=O)Nc2ccc3[nH+]c(C)cn3c2)ccc1[N+](=O)[O-] ZINC000339275493 475110610 /nfs/dbraw/zinc/11/06/10/475110610.db2.gz OGQSKNLWJCGZPI-UHFFFAOYSA-N 1 2 326.312 2.812 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000296356345 475281960 /nfs/dbraw/zinc/28/19/60/475281960.db2.gz UNKQMILZHLAEEE-CQSZACIVSA-N 1 2 328.372 2.860 10 5 EFBELO Cn1c(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])nnc1C1CCC1 ZINC000352571321 475421966 /nfs/dbraw/zinc/42/19/66/475421966.db2.gz TWZTUBCGMFMMKL-UHFFFAOYSA-N 1 2 329.404 2.665 10 5 EFBELO Cn1c(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])nnc1C1CCC1 ZINC000352571321 475421971 /nfs/dbraw/zinc/42/19/71/475421971.db2.gz TWZTUBCGMFMMKL-UHFFFAOYSA-N 1 2 329.404 2.665 10 5 EFBELO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)C2 ZINC000354808210 475427440 /nfs/dbraw/zinc/42/74/40/475427440.db2.gz PHZFTISZXFUUPH-ZDUSSCGKSA-N 1 2 342.399 2.863 10 5 EFBELO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)CC2 ZINC000354808210 475427449 /nfs/dbraw/zinc/42/74/49/475427449.db2.gz PHZFTISZXFUUPH-ZDUSSCGKSA-N 1 2 342.399 2.863 10 5 EFBELO C[C@@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000352671141 475515322 /nfs/dbraw/zinc/51/53/22/475515322.db2.gz LFOPXWLJTUZLHR-ZDUSSCGKSA-N 1 2 343.383 2.551 10 5 EFBELO C[C@@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000352671141 475515329 /nfs/dbraw/zinc/51/53/29/475515329.db2.gz LFOPXWLJTUZLHR-ZDUSSCGKSA-N 1 2 343.383 2.551 10 5 EFBELO C[NH+](C)C1(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])CCCCCC1 ZINC000348666353 475806953 /nfs/dbraw/zinc/80/69/53/475806953.db2.gz VUJSPHBPTVGMLW-UHFFFAOYSA-N 1 2 335.404 2.685 10 5 EFBELO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+](CC(F)F)CC1CCC1 ZINC000343777259 476112036 /nfs/dbraw/zinc/11/20/36/476112036.db2.gz XWOAOLPKSIHSSU-CYBMUJFWSA-N 1 2 344.358 2.702 10 5 EFBELO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+](CC(F)F)CC1CCC1 ZINC000343777259 476112043 /nfs/dbraw/zinc/11/20/43/476112043.db2.gz XWOAOLPKSIHSSU-CYBMUJFWSA-N 1 2 344.358 2.702 10 5 EFBELO CC(C)(C)c1ccc(NC(=O)NCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000347148818 476128821 /nfs/dbraw/zinc/12/88/21/476128821.db2.gz DVLHOUWBEYWPJO-UHFFFAOYSA-N 1 2 331.376 2.911 10 5 EFBELO O=[N+]([O-])c1ccccc1-c1nc([C@@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000350404418 476170023 /nfs/dbraw/zinc/17/00/23/476170023.db2.gz TWIXMYAVMKTIEP-FZMZJTMJSA-N 1 2 330.344 2.571 10 5 EFBELO O=[N+]([O-])c1ccccc1-c1nc([C@@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000350404418 476170031 /nfs/dbraw/zinc/17/00/31/476170031.db2.gz TWIXMYAVMKTIEP-FZMZJTMJSA-N 1 2 330.344 2.571 10 5 EFBELO Cn1ccnc1[C@@H]([NH2+]C[C@@H]1CCC(C)(C)O1)c1cccc([N+](=O)[O-])c1 ZINC000353678938 476181535 /nfs/dbraw/zinc/18/15/35/476181535.db2.gz FDBJJXZZQMWPRT-HOTGVXAUSA-N 1 2 344.415 2.965 10 5 EFBELO CC(C)N1C(=O)C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC1(C)C ZINC000353741558 476233736 /nfs/dbraw/zinc/23/37/36/476233736.db2.gz RSXIEZYLNPGDPK-CLFYSBASSA-N 1 2 331.416 2.939 10 5 EFBELO CC(C)N1C(=O)C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC1(C)C ZINC000353741558 476233744 /nfs/dbraw/zinc/23/37/44/476233744.db2.gz RSXIEZYLNPGDPK-CLFYSBASSA-N 1 2 331.416 2.939 10 5 EFBELO CC(C)N1C(=O)C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC1(C)C ZINC000353741559 476234199 /nfs/dbraw/zinc/23/41/99/476234199.db2.gz RSXIEZYLNPGDPK-VQHVLOKHSA-N 1 2 331.416 2.939 10 5 EFBELO CC(C)N1C(=O)C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC1(C)C ZINC000353741559 476234203 /nfs/dbraw/zinc/23/42/03/476234203.db2.gz RSXIEZYLNPGDPK-VQHVLOKHSA-N 1 2 331.416 2.939 10 5 EFBELO Cc1cc(N2CCCC[C@@H]2C[NH+]2CCOCC2)c(F)cc1[N+](=O)[O-] ZINC000360048704 476287213 /nfs/dbraw/zinc/28/72/13/476287213.db2.gz XHHSVTPQXMKMMP-CQSZACIVSA-N 1 2 337.395 2.733 10 5 EFBELO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000353936901 476330647 /nfs/dbraw/zinc/33/06/47/476330647.db2.gz DHEXCXXFIMVMSM-LLVKDONJSA-N 1 2 329.360 2.559 10 5 EFBELO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000353936901 476330649 /nfs/dbraw/zinc/33/06/49/476330649.db2.gz DHEXCXXFIMVMSM-LLVKDONJSA-N 1 2 329.360 2.559 10 5 EFBELO Cc1cn2c([nH+]1)CN(C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)CC2 ZINC000360717210 476351353 /nfs/dbraw/zinc/35/13/53/476351353.db2.gz WBOMSLMAXKURLD-ZDUSSCGKSA-N 1 2 343.387 2.695 10 5 EFBELO Cc1cc(CC[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)on1 ZINC000353999175 476352458 /nfs/dbraw/zinc/35/24/58/476352458.db2.gz YYMIQMUZUGLMDQ-MRXNPFEDSA-N 1 2 341.371 2.546 10 5 EFBELO CC(C)Oc1cc(-c2nc(Cc3c[nH+]cn3C)no2)ccc1[N+](=O)[O-] ZINC000351272999 476389698 /nfs/dbraw/zinc/38/96/98/476389698.db2.gz LHZPSYSCLOFDOG-UHFFFAOYSA-N 1 2 343.343 2.756 10 5 EFBELO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000373768849 476426739 /nfs/dbraw/zinc/42/67/39/476426739.db2.gz SVEIDNKUIUBHCH-CQSZACIVSA-N 1 2 329.360 2.574 10 5 EFBELO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000373768847 476426905 /nfs/dbraw/zinc/42/69/05/476426905.db2.gz SVEIDNKUIUBHCH-AWEZNQCLSA-N 1 2 329.360 2.574 10 5 EFBELO O=[N+]([O-])c1ccccc1Cc1noc(Cc2cn3c([nH+]2)CCCC3)n1 ZINC000351402736 476443027 /nfs/dbraw/zinc/44/30/27/476443027.db2.gz DFLFLIPHHXFUBX-UHFFFAOYSA-N 1 2 339.355 2.692 10 5 EFBELO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000364371321 476523353 /nfs/dbraw/zinc/52/33/53/476523353.db2.gz CCWHHWBCTBYZEB-UHFFFAOYSA-N 1 2 348.790 2.920 10 5 EFBELO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000364371321 476523361 /nfs/dbraw/zinc/52/33/61/476523361.db2.gz CCWHHWBCTBYZEB-UHFFFAOYSA-N 1 2 348.790 2.920 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365568724 476627468 /nfs/dbraw/zinc/62/74/68/476627468.db2.gz FOTQPJOWCXZEHX-ZDUSSCGKSA-N 1 2 328.372 2.657 10 5 EFBELO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000378307210 476691872 /nfs/dbraw/zinc/69/18/72/476691872.db2.gz FVBIQRLRKFOEJR-JTQLQIEISA-N 1 2 342.380 2.820 10 5 EFBELO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000378307210 476691880 /nfs/dbraw/zinc/69/18/80/476691880.db2.gz FVBIQRLRKFOEJR-JTQLQIEISA-N 1 2 342.380 2.820 10 5 EFBELO C[C@@H]1C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@@]2(CCO[C@H](C)C2)O1 ZINC000430269704 476797567 /nfs/dbraw/zinc/79/75/67/476797567.db2.gz PGJPZSNQUXMFAU-XNJGSVPQSA-N 1 2 338.379 2.892 10 5 EFBELO C[C@@H]1C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@@]2(CCO[C@H](C)C2)O1 ZINC000430269704 476797577 /nfs/dbraw/zinc/79/75/77/476797577.db2.gz PGJPZSNQUXMFAU-XNJGSVPQSA-N 1 2 338.379 2.892 10 5 EFBELO C[C@@H]1C[C@@]2(CCO1)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@H](C)O2 ZINC000430280434 476801513 /nfs/dbraw/zinc/80/15/13/476801513.db2.gz PKSLRMBVGFNWIW-IGCXYCKISA-N 1 2 338.379 2.892 10 5 EFBELO C[C@@H]1C[C@@]2(CCO1)C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@H](C)O2 ZINC000430280434 476801519 /nfs/dbraw/zinc/80/15/19/476801519.db2.gz PKSLRMBVGFNWIW-IGCXYCKISA-N 1 2 338.379 2.892 10 5 EFBELO C[C@@H]1C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@@H](C)[C@H](C)O1 ZINC000446063483 476815124 /nfs/dbraw/zinc/81/51/24/476815124.db2.gz VEIJNWZOXUCLNK-WOPDTQHZSA-N 1 2 332.360 2.643 10 5 EFBELO C[C@@H]1C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@@H](C)[C@H](C)O1 ZINC000446063483 476815131 /nfs/dbraw/zinc/81/51/31/476815131.db2.gz VEIJNWZOXUCLNK-WOPDTQHZSA-N 1 2 332.360 2.643 10 5 EFBELO C[C@@H]1C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@@H](C)[C@H](C)O1 ZINC000446070032 476817743 /nfs/dbraw/zinc/81/77/43/476817743.db2.gz JAYZUCHSWLTKSA-WOPDTQHZSA-N 1 2 332.360 2.643 10 5 EFBELO C[C@@H]1C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@@H](C)[C@H](C)O1 ZINC000446070032 476817750 /nfs/dbraw/zinc/81/77/50/476817750.db2.gz JAYZUCHSWLTKSA-WOPDTQHZSA-N 1 2 332.360 2.643 10 5 EFBELO Cc1nc([C@H]2CCCC[N@@H+]2C[C@@H](O)c2cccc([N+](=O)[O-])c2)no1 ZINC000371293648 477224301 /nfs/dbraw/zinc/22/43/01/477224301.db2.gz HHGVIYWLBHESAD-HUUCEWRRSA-N 1 2 332.360 2.547 10 5 EFBELO Cc1nc([C@H]2CCCC[N@H+]2C[C@@H](O)c2cccc([N+](=O)[O-])c2)no1 ZINC000371293648 477224308 /nfs/dbraw/zinc/22/43/08/477224308.db2.gz HHGVIYWLBHESAD-HUUCEWRRSA-N 1 2 332.360 2.547 10 5 EFBELO CCc1cc(N[C@@H]2CCOC[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000432867438 477281390 /nfs/dbraw/zinc/28/13/90/477281390.db2.gz VXBMLOCSCVQNSL-MLGOLLRUSA-N 1 2 342.399 2.873 10 5 EFBELO CCc1cc(N[C@@H]2CCOC[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000432867436 477281845 /nfs/dbraw/zinc/28/18/45/477281845.db2.gz VXBMLOCSCVQNSL-BLLLJJGKSA-N 1 2 342.399 2.873 10 5 EFBELO O=[N+]([O-])c1ccc(C[NH+]2CCN(c3cc(C4CC4)[nH]n3)CC2)cc1F ZINC000366982828 477285747 /nfs/dbraw/zinc/28/57/47/477285747.db2.gz PDDJIBRCLRFDKD-UHFFFAOYSA-N 1 2 345.378 2.657 10 5 EFBELO COC(=O)c1cnc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2C)s1 ZINC000424204380 477328450 /nfs/dbraw/zinc/32/84/50/477328450.db2.gz SMAZIWJKPHBZLS-JTQLQIEISA-N 1 2 335.385 2.997 10 5 EFBELO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2C)s1 ZINC000424204384 477329232 /nfs/dbraw/zinc/32/92/32/477329232.db2.gz SMAZIWJKPHBZLS-SNVBAGLBSA-N 1 2 335.385 2.997 10 5 EFBELO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000376450859 477341716 /nfs/dbraw/zinc/34/17/16/477341716.db2.gz SIAFZALQNWLVLX-UHFFFAOYSA-N 1 2 344.371 2.797 10 5 EFBELO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000376450859 477341720 /nfs/dbraw/zinc/34/17/20/477341720.db2.gz SIAFZALQNWLVLX-UHFFFAOYSA-N 1 2 344.371 2.797 10 5 EFBELO C[C@@H]1CCOCC[N@@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000367292798 477435407 /nfs/dbraw/zinc/43/54/07/477435407.db2.gz VMKYHHNGRXLEEN-SNVBAGLBSA-N 1 2 329.194 2.968 10 5 EFBELO C[C@@H]1CCOCC[N@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000367292798 477435411 /nfs/dbraw/zinc/43/54/11/477435411.db2.gz VMKYHHNGRXLEEN-SNVBAGLBSA-N 1 2 329.194 2.968 10 5 EFBELO CC1=C[C@H](C)CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000436001242 477403946 /nfs/dbraw/zinc/40/39/46/477403946.db2.gz BCLDORCJTRLQDY-LBPRGKRZSA-N 1 2 326.356 2.819 10 5 EFBELO O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CC[NH+](C2CC2)CC1 ZINC000436307975 477460437 /nfs/dbraw/zinc/46/04/37/477460437.db2.gz AGPUBGFAUZDKCH-UHFFFAOYSA-N 1 2 347.418 2.602 10 5 EFBELO Cc1cn2c([nH+]1)CN(C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)CC2 ZINC000371745924 477476003 /nfs/dbraw/zinc/47/60/03/477476003.db2.gz ZUJROEOZTHGFEW-LBPRGKRZSA-N 1 2 346.412 2.623 10 5 EFBELO O=[N+]([O-])c1ccc2c(c1NCc1[nH+]ccn1CC(F)(F)F)CCN2 ZINC000436406459 477476127 /nfs/dbraw/zinc/47/61/27/477476127.db2.gz HVMZIHWQLMZYQE-UHFFFAOYSA-N 1 2 341.293 2.934 10 5 EFBELO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000376752607 477488018 /nfs/dbraw/zinc/48/80/18/477488018.db2.gz TZVCXHLWJVAIKE-QMMMGPOBSA-N 1 2 335.751 2.650 10 5 EFBELO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000376752607 477488020 /nfs/dbraw/zinc/48/80/20/477488020.db2.gz TZVCXHLWJVAIKE-QMMMGPOBSA-N 1 2 335.751 2.650 10 5 EFBELO O=[N+]([O-])c1ccc2cc[nH+]c(N3CC[C@@H]([C@H](O)C(F)(F)F)C3)c2c1 ZINC000413315279 477624409 /nfs/dbraw/zinc/62/44/09/477624409.db2.gz JRCPIPSIQVHMLF-MFKMUULPSA-N 1 2 341.289 2.893 10 5 EFBELO Cc1ccc(C[N@@H+]2CCCC[C@@H]2CCS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000367834601 477712070 /nfs/dbraw/zinc/71/20/70/477712070.db2.gz VYQWKFQAHCQRDF-OAHLLOKOSA-N 1 2 340.445 2.692 10 5 EFBELO Cc1ccc(C[N@H+]2CCCC[C@@H]2CCS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000367834601 477712074 /nfs/dbraw/zinc/71/20/74/477712074.db2.gz VYQWKFQAHCQRDF-OAHLLOKOSA-N 1 2 340.445 2.692 10 5 EFBELO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000427503488 477774399 /nfs/dbraw/zinc/77/43/99/477774399.db2.gz BTNODZYTLFSYRR-SNVBAGLBSA-N 1 2 334.763 2.567 10 5 EFBELO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000427503488 477774407 /nfs/dbraw/zinc/77/44/07/477774407.db2.gz BTNODZYTLFSYRR-SNVBAGLBSA-N 1 2 334.763 2.567 10 5 EFBELO COc1cccc([N+](=O)[O-])c1N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000558316732 477854999 /nfs/dbraw/zinc/85/49/99/477854999.db2.gz RCUWGHANAMCLPG-UHFFFAOYSA-N 1 2 343.383 2.631 10 5 EFBELO C[C@@H]1C[C@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c2[nH+]ccn21 ZINC000456386096 477904331 /nfs/dbraw/zinc/90/43/31/477904331.db2.gz ONYUJFVZJRPFBI-OTYXRUKQSA-N 1 2 325.328 2.708 10 5 EFBELO CS(=O)(=O)CC[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000428838465 477993742 /nfs/dbraw/zinc/99/37/42/477993742.db2.gz YIHDKFPZRBRAKB-CYBMUJFWSA-N 1 2 344.408 2.523 10 5 EFBELO CS(=O)(=O)CC[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000428838465 477993749 /nfs/dbraw/zinc/99/37/49/477993749.db2.gz YIHDKFPZRBRAKB-CYBMUJFWSA-N 1 2 344.408 2.523 10 5 EFBELO COc1cc(C[N@@H+]2C[C@@H]3C[C@H]2CS3)c([N+](=O)[O-])cc1OC(F)F ZINC000459798144 478097964 /nfs/dbraw/zinc/09/79/64/478097964.db2.gz UQYDAMIBIKWJDK-UWVGGRQHSA-N 1 2 346.355 2.895 10 5 EFBELO COc1cc(C[N@H+]2C[C@@H]3C[C@H]2CS3)c([N+](=O)[O-])cc1OC(F)F ZINC000459798144 478097970 /nfs/dbraw/zinc/09/79/70/478097970.db2.gz UQYDAMIBIKWJDK-UWVGGRQHSA-N 1 2 346.355 2.895 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC1CC[NH+](CC(F)F)CC1 ZINC000560606958 478117225 /nfs/dbraw/zinc/11/72/25/478117225.db2.gz XVRIGGKPBUZOSN-UHFFFAOYSA-N 1 2 341.358 2.610 10 5 EFBELO CC[C@@H](NC(=O)N[C@H]1CCn2cc[nH+]c2C1)c1cccc([N+](=O)[O-])c1 ZINC000488643483 478168651 /nfs/dbraw/zinc/16/86/51/478168651.db2.gz KTEWXHRLBRZFTD-DZGCQCFKSA-N 1 2 343.387 2.557 10 5 EFBELO CC(C)CN1C[C@H]2C[N@@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000488766512 478181533 /nfs/dbraw/zinc/18/15/33/478181533.db2.gz JLUIMSNZDORYQX-RHSMWYFYSA-N 1 2 346.431 2.734 10 5 EFBELO CC(C)CN1C[C@H]2C[N@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000488766512 478181538 /nfs/dbraw/zinc/18/15/38/478181538.db2.gz JLUIMSNZDORYQX-RHSMWYFYSA-N 1 2 346.431 2.734 10 5 EFBELO CCC[C@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)OCC ZINC000561847580 478206397 /nfs/dbraw/zinc/20/63/97/478206397.db2.gz QPUCKJQDTKIQIC-INIZCTEOSA-N 1 2 333.388 2.940 10 5 EFBELO CN(C)C(=O)[C@@H](c1ccccc1)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000536005494 478238505 /nfs/dbraw/zinc/23/85/05/478238505.db2.gz ZXXTZBHMFOWUMF-GOSISDBHSA-N 1 2 339.395 2.782 10 5 EFBELO CN(C)C(=O)[C@@H](c1ccccc1)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000536005494 478238507 /nfs/dbraw/zinc/23/85/07/478238507.db2.gz ZXXTZBHMFOWUMF-GOSISDBHSA-N 1 2 339.395 2.782 10 5 EFBELO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@]2(CCS(=O)(=O)C2)C1 ZINC000590759373 478324299 /nfs/dbraw/zinc/32/42/99/478324299.db2.gz RZZPFWNINHZVMW-CJNGLKHVSA-N 1 2 338.429 2.557 10 5 EFBELO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@]2(CCS(=O)(=O)C2)C1 ZINC000590759373 478324309 /nfs/dbraw/zinc/32/43/09/478324309.db2.gz RZZPFWNINHZVMW-CJNGLKHVSA-N 1 2 338.429 2.557 10 5 EFBELO Cc1cccc(CN[C@H](c2[nH+]ccn2C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000562854355 478370223 /nfs/dbraw/zinc/37/02/23/478370223.db2.gz LMPYUTPCWRCFKX-KRWDZBQOSA-N 1 2 337.383 2.911 10 5 EFBELO CC(C)[NH+]1CC(NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1 ZINC000570492404 478370364 /nfs/dbraw/zinc/37/03/64/478370364.db2.gz FOTVIFKJXRRJRW-UHFFFAOYSA-N 1 2 335.407 2.504 10 5 EFBELO COc1ccnc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)c1F ZINC000595079060 478652037 /nfs/dbraw/zinc/65/20/37/478652037.db2.gz CPZYTDYFRTYHBI-SNVBAGLBSA-N 1 2 335.335 2.997 10 5 EFBELO C[C@@H]1CCC[C@H](C[NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)O1 ZINC000595080080 478654167 /nfs/dbraw/zinc/65/41/67/478654167.db2.gz NRXLLRFDXDWYPJ-XYPHTWIQSA-N 1 2 344.415 2.965 10 5 EFBELO O=[N+]([O-])c1cc(F)cnc1NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000601103234 478656866 /nfs/dbraw/zinc/65/68/66/478656866.db2.gz QRYFQJABVQTJGB-MRXNPFEDSA-N 1 2 346.362 2.614 10 5 EFBELO C[C@H]1CN(c2ccc(Nc3ncc(F)cc3[N+](=O)[O-])c[nH+]2)C[C@H](C)O1 ZINC000601105081 478658399 /nfs/dbraw/zinc/65/83/99/478658399.db2.gz UGAPZBKXWKSPNZ-QWRGUYRKSA-N 1 2 347.350 2.881 10 5 EFBELO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NCCCNc1cccc[nH+]1 ZINC000601104901 478659103 /nfs/dbraw/zinc/65/91/03/478659103.db2.gz LKSPSFQALMBBRF-UHFFFAOYSA-N 1 2 344.297 2.656 10 5 EFBELO C[C@@H](N[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)c1[nH+]ccn1C ZINC000595104940 478662731 /nfs/dbraw/zinc/66/27/31/478662731.db2.gz ATFKFCRWQAUEBM-DOMZBBRYSA-N 1 2 340.387 2.502 10 5 EFBELO C[C@@H](N[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)c1[nH+]ccn1C ZINC000595109123 478663535 /nfs/dbraw/zinc/66/35/35/478663535.db2.gz UJYIBPXLKKRBEV-IUODEOHRSA-N 1 2 340.387 2.502 10 5 EFBELO Cc1ccc(CCNc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)c[nH+]1 ZINC000601114927 478663938 /nfs/dbraw/zinc/66/39/38/478663938.db2.gz BCJXGERNMNXREJ-UHFFFAOYSA-N 1 2 329.282 2.705 10 5 EFBELO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000601125605 478672796 /nfs/dbraw/zinc/67/27/96/478672796.db2.gz OTOVEZSJAVPHMG-MRVPVSSYSA-N 1 2 344.297 2.802 10 5 EFBELO C[C@@H]1C[C@H](Nc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)c2[nH+]ccn21 ZINC000601171436 478704158 /nfs/dbraw/zinc/70/41/58/478704158.db2.gz LMWOWRSHASXUFI-RQJHMYQMSA-N 1 2 330.270 2.662 10 5 EFBELO C[C@@H]1C[C@@H](Nc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)c2[nH+]ccn21 ZINC000601171435 478704869 /nfs/dbraw/zinc/70/48/69/478704869.db2.gz LMWOWRSHASXUFI-RNFRBKRXSA-N 1 2 330.270 2.662 10 5 EFBELO O=[N+]([O-])c1cccc(Br)c1N1CC([NH+]2CCCC2)C1 ZINC000601193443 478716901 /nfs/dbraw/zinc/71/69/01/478716901.db2.gz IOOCGHLFZIBBFR-UHFFFAOYSA-N 1 2 326.194 2.642 10 5 EFBELO CCOC(=O)Cc1ccc(NCc2[nH+]ccn2CC)c([N+](=O)[O-])c1 ZINC000591946504 478718620 /nfs/dbraw/zinc/71/86/20/478718620.db2.gz NOYVEMIPLCQTNP-UHFFFAOYSA-N 1 2 332.360 2.529 10 5 EFBELO Cc1noc(C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)c1[N+](=O)[O-] ZINC000595308435 478724610 /nfs/dbraw/zinc/72/46/10/478724610.db2.gz NXYMQSXDXWXHRQ-GFCCVEGCSA-N 1 2 331.328 2.957 10 5 EFBELO Cc1noc(C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)c1[N+](=O)[O-] ZINC000595308435 478724617 /nfs/dbraw/zinc/72/46/17/478724617.db2.gz NXYMQSXDXWXHRQ-GFCCVEGCSA-N 1 2 331.328 2.957 10 5 EFBELO Cc1noc(CN2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)c1[N+](=O)[O-] ZINC000595399379 478762788 /nfs/dbraw/zinc/76/27/88/478762788.db2.gz ZUYSTKIMHYXZBZ-CYBMUJFWSA-N 1 2 348.378 2.909 10 5 EFBELO Cc1cc[nH+]cc1N1CCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595468945 478802487 /nfs/dbraw/zinc/80/24/87/478802487.db2.gz FAQINWPJANYSFT-UHFFFAOYSA-N 1 2 330.363 2.760 10 5 EFBELO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCN(c2ncns2)CC1 ZINC000595514593 478829229 /nfs/dbraw/zinc/82/92/29/478829229.db2.gz AQOZDLKORYJGLK-LBPRGKRZSA-N 1 2 333.417 2.638 10 5 EFBELO C[C@@H](NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)c1[nH+]ccn1C ZINC000595518634 478830754 /nfs/dbraw/zinc/83/07/54/478830754.db2.gz IVRXFLLDKWCGJN-CYBMUJFWSA-N 1 2 345.403 2.711 10 5 EFBELO Cn1cnc(C[N@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)c1 ZINC000595563837 478857312 /nfs/dbraw/zinc/85/73/12/478857312.db2.gz UORANHYVDLJVIP-QAQDUYKDSA-N 1 2 344.415 2.634 10 5 EFBELO Cn1cnc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)c1 ZINC000595563837 478857317 /nfs/dbraw/zinc/85/73/17/478857317.db2.gz UORANHYVDLJVIP-QAQDUYKDSA-N 1 2 344.415 2.634 10 5 EFBELO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1cc2n(n1)CCCC2 ZINC000592387458 478880199 /nfs/dbraw/zinc/88/01/99/478880199.db2.gz FVJRJEKIUNVDNL-LBPRGKRZSA-N 1 2 330.388 2.987 10 5 EFBELO COC(=O)C[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000595664202 478923320 /nfs/dbraw/zinc/92/33/20/478923320.db2.gz QDRGWSBXNFESDS-UHFFFAOYSA-N 1 2 336.388 2.911 10 5 EFBELO COC(=O)C[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000595664202 478923326 /nfs/dbraw/zinc/92/33/26/478923326.db2.gz QDRGWSBXNFESDS-UHFFFAOYSA-N 1 2 336.388 2.911 10 5 EFBELO C[C@@H]1COC2(CCC2)C[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000595675119 478927632 /nfs/dbraw/zinc/92/76/32/478927632.db2.gz OIFCTTNAEXBHAT-GFCCVEGCSA-N 1 2 334.372 2.605 10 5 EFBELO C[C@@H]1COC2(CCC2)C[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000595675119 478927636 /nfs/dbraw/zinc/92/76/36/478927636.db2.gz OIFCTTNAEXBHAT-GFCCVEGCSA-N 1 2 334.372 2.605 10 5 EFBELO C[C@H]1COC2(CCC2)C[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000595675120 478927706 /nfs/dbraw/zinc/92/77/06/478927706.db2.gz OIFCTTNAEXBHAT-LBPRGKRZSA-N 1 2 334.372 2.605 10 5 EFBELO C[C@H]1COC2(CCC2)C[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000595675120 478927714 /nfs/dbraw/zinc/92/77/14/478927714.db2.gz OIFCTTNAEXBHAT-LBPRGKRZSA-N 1 2 334.372 2.605 10 5 EFBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2C[C@H](C)OC3(CCC3)C2)c1 ZINC000592529847 478935318 /nfs/dbraw/zinc/93/53/18/478935318.db2.gz UAIKCENALKWJIS-LBPRGKRZSA-N 1 2 334.372 2.525 10 5 EFBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@H](C)OC3(CCC3)C2)c1 ZINC000592529847 478935323 /nfs/dbraw/zinc/93/53/23/478935323.db2.gz UAIKCENALKWJIS-LBPRGKRZSA-N 1 2 334.372 2.525 10 5 EFBELO C[C@@H]1C[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C[C@H](C)[C@H]1O ZINC000595732299 478963205 /nfs/dbraw/zinc/96/32/05/478963205.db2.gz LOILRRTWCYDGSZ-MSRIBSCDSA-N 1 2 343.221 2.806 10 5 EFBELO C[C@@H]1C[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C[C@H](C)[C@H]1O ZINC000595732299 478963210 /nfs/dbraw/zinc/96/32/10/478963210.db2.gz LOILRRTWCYDGSZ-MSRIBSCDSA-N 1 2 343.221 2.806 10 5 EFBELO COC(=O)[C@@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@H]2CCCC[C@H]12 ZINC000595736228 478967191 /nfs/dbraw/zinc/96/71/91/478967191.db2.gz ZZXXOSLTUGIYAQ-INMHGKMJSA-N 1 2 348.399 2.854 10 5 EFBELO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@H]2CCCC[C@H]12 ZINC000595736228 478967202 /nfs/dbraw/zinc/96/72/02/478967202.db2.gz ZZXXOSLTUGIYAQ-INMHGKMJSA-N 1 2 348.399 2.854 10 5 EFBELO CC(C)(C)CN1CCC[C@@H]([N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)C1=O ZINC000545894731 478969230 /nfs/dbraw/zinc/96/92/30/478969230.db2.gz RJPOMXHYYVQPCH-QGZVFWFLSA-N 1 2 345.443 2.990 10 5 EFBELO CC(C)(C)CN1CCC[C@@H]([N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)C1=O ZINC000545894731 478969235 /nfs/dbraw/zinc/96/92/35/478969235.db2.gz RJPOMXHYYVQPCH-QGZVFWFLSA-N 1 2 345.443 2.990 10 5 EFBELO O=C(N[C@]12C[C@H]1CCCC2)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000601775193 478996319 /nfs/dbraw/zinc/99/63/19/478996319.db2.gz NWXFHCOCVLHEPQ-CXAGYDPISA-N 1 2 326.356 2.843 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC2(CCCC2)OC[C@@H]1C ZINC000595814965 479012782 /nfs/dbraw/zinc/01/27/82/479012782.db2.gz KAGUOUAUCIYNFA-AWEZNQCLSA-N 1 2 347.415 2.875 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC2(CCCC2)OC[C@@H]1C ZINC000595814965 479012788 /nfs/dbraw/zinc/01/27/88/479012788.db2.gz KAGUOUAUCIYNFA-AWEZNQCLSA-N 1 2 347.415 2.875 10 5 EFBELO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(c2ccon2)CC1 ZINC000595829678 479023045 /nfs/dbraw/zinc/02/30/45/479023045.db2.gz ZCUQMGLMNZPQDD-GFCCVEGCSA-N 1 2 344.371 2.789 10 5 EFBELO COc1cc(C[N@@H+]2CCOc3ccc(O)cc3C2)ccc1[N+](=O)[O-] ZINC000595844658 479028488 /nfs/dbraw/zinc/02/84/88/479028488.db2.gz JDZPCRQJIMLQDB-UHFFFAOYSA-N 1 2 330.340 2.704 10 5 EFBELO COc1cc(C[N@H+]2CCOc3ccc(O)cc3C2)ccc1[N+](=O)[O-] ZINC000595844658 479028499 /nfs/dbraw/zinc/02/84/99/479028499.db2.gz JDZPCRQJIMLQDB-UHFFFAOYSA-N 1 2 330.340 2.704 10 5 EFBELO COCC1(CCNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000514600196 479032278 /nfs/dbraw/zinc/03/22/78/479032278.db2.gz ONRGCCKCJFREDL-UHFFFAOYSA-N 1 2 349.431 2.656 10 5 EFBELO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCO[C@@H](CC(F)(F)F)C2)c1 ZINC000595893370 479055915 /nfs/dbraw/zinc/05/59/15/479055915.db2.gz WGOOGKSBLARAKS-ZDUSSCGKSA-N 1 2 334.294 2.627 10 5 EFBELO O=[N+]([O-])c1cccc(OCC[N@H+]2CCO[C@@H](CC(F)(F)F)C2)c1 ZINC000595893370 479055920 /nfs/dbraw/zinc/05/59/20/479055920.db2.gz WGOOGKSBLARAKS-ZDUSSCGKSA-N 1 2 334.294 2.627 10 5 EFBELO C[C@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@](C)(C(F)F)O1 ZINC000595921670 479075808 /nfs/dbraw/zinc/07/58/08/479075808.db2.gz YKHHQQYVTUGEIC-XHDPSFHLSA-N 1 2 330.331 2.718 10 5 EFBELO C[C@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])C[C@](C)(C(F)F)O1 ZINC000595921670 479075815 /nfs/dbraw/zinc/07/58/15/479075815.db2.gz YKHHQQYVTUGEIC-XHDPSFHLSA-N 1 2 330.331 2.718 10 5 EFBELO [NH3+]C[C@H]1CCCc2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3O)cc21 ZINC000595950135 479080638 /nfs/dbraw/zinc/08/06/38/479080638.db2.gz AWPWECCKZWHHOS-CYBMUJFWSA-N 1 2 341.367 2.931 10 5 EFBELO CCOC(=O)C1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599015445 479126252 /nfs/dbraw/zinc/12/62/52/479126252.db2.gz YUXIUIBGCSATAF-UHFFFAOYSA-N 1 2 329.356 2.923 10 5 EFBELO CC(C)(C)C(=O)N1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599021067 479128342 /nfs/dbraw/zinc/12/83/42/479128342.db2.gz ZUFDXOKHVICXKD-UHFFFAOYSA-N 1 2 342.399 2.838 10 5 EFBELO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCN(c2nccs2)CC1 ZINC000599022153 479129913 /nfs/dbraw/zinc/12/99/13/479129913.db2.gz HQNQBTSMXKPAEQ-UHFFFAOYSA-N 1 2 341.396 2.926 10 5 EFBELO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCO[C@@H](C(F)(F)F)C1 ZINC000599047332 479138177 /nfs/dbraw/zinc/13/81/77/479138177.db2.gz UDJRFDXNMBGVNR-GFCCVEGCSA-N 1 2 327.262 2.911 10 5 EFBELO CS(=O)(=O)[C@@H]1CCC[C@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599048320 479138679 /nfs/dbraw/zinc/13/86/79/479138679.db2.gz KJVFUPGKALTAFY-QWHCGFSZSA-N 1 2 349.412 2.911 10 5 EFBELO CCOc1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)OC)ccc1[N+](=O)[O-] ZINC000493741813 479138791 /nfs/dbraw/zinc/13/87/91/479138791.db2.gz YFZGBVYMGIUBBP-ZQIUZPCESA-N 1 2 348.399 2.767 10 5 EFBELO CCOc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)OC)ccc1[N+](=O)[O-] ZINC000493741813 479138797 /nfs/dbraw/zinc/13/87/97/479138797.db2.gz YFZGBVYMGIUBBP-ZQIUZPCESA-N 1 2 348.399 2.767 10 5 EFBELO C[C@@H]1C[C@H]1N1C[C@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1=O ZINC000599053393 479140086 /nfs/dbraw/zinc/14/00/86/479140086.db2.gz SLKSOEDNYLOEBK-IXPVHAAZSA-N 1 2 326.356 2.564 10 5 EFBELO O=[N+]([O-])c1c(NCCCOC[C@H]2CCOC2)ccc2c[nH+]ccc21 ZINC000599049700 479140162 /nfs/dbraw/zinc/14/01/62/479140162.db2.gz ZTVHWFIJBYEQGT-CYBMUJFWSA-N 1 2 331.372 2.998 10 5 EFBELO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCC[C@@H](Cn2ccnn2)C1 ZINC000599056938 479141604 /nfs/dbraw/zinc/14/16/04/479141604.db2.gz AHTCFSCKRXINCS-CYBMUJFWSA-N 1 2 338.371 2.651 10 5 EFBELO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCC(OCCCO)CC1 ZINC000599058125 479143057 /nfs/dbraw/zinc/14/30/57/479143057.db2.gz RKDMFVYGJRLMMD-UHFFFAOYSA-N 1 2 331.372 2.511 10 5 EFBELO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000599062819 479144131 /nfs/dbraw/zinc/14/41/31/479144131.db2.gz UFSRHYVMITVNAU-JKSUJKDBSA-N 1 2 329.356 2.527 10 5 EFBELO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCC(Cn2ccnn2)CC1 ZINC000599060560 479144370 /nfs/dbraw/zinc/14/43/70/479144370.db2.gz YLEIVXRYDCBKJH-UHFFFAOYSA-N 1 2 338.371 2.651 10 5 EFBELO O=[N+]([O-])c1c(N[C@H]2CCO[C@@]3(CCOC3)C2)ccc2c[nH+]ccc21 ZINC000599063116 479144558 /nfs/dbraw/zinc/14/45/58/479144558.db2.gz WRSADEKBVDMNQW-GUYCJALGSA-N 1 2 329.356 2.893 10 5 EFBELO COc1cc(N[C@H](C)[C@H](C)[NH+]2CCOCC2)c(Cl)cc1[N+](=O)[O-] ZINC000596114958 479146746 /nfs/dbraw/zinc/14/67/46/479146746.db2.gz PHFUIOVMLRASCS-MNOVXSKESA-N 1 2 343.811 2.778 10 5 EFBELO CC(C)(C)OC(=O)[C@](C)(O)CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599068971 479147856 /nfs/dbraw/zinc/14/78/56/479147856.db2.gz RQVSHTWVDIDNEC-QGZVFWFLSA-N 1 2 347.371 2.648 10 5 EFBELO C[C@H]1CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000599071219 479148965 /nfs/dbraw/zinc/14/89/65/479148965.db2.gz RIVNXIXUNOUOJF-YVEFUNNKSA-N 1 2 329.356 2.527 10 5 EFBELO C[C@@H]1CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000599071218 479149883 /nfs/dbraw/zinc/14/98/83/479149883.db2.gz RIVNXIXUNOUOJF-SJKOYZFVSA-N 1 2 329.356 2.527 10 5 EFBELO C[C@H]1CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC2(CCOCC2)O1 ZINC000599076518 479152440 /nfs/dbraw/zinc/15/24/40/479152440.db2.gz CBZOWZXYYYTDLJ-ZDUSSCGKSA-N 1 2 343.383 2.917 10 5 EFBELO Cn1ccnc1[C@H]([NH2+][C@H]1CO[C@H](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000599085637 479155731 /nfs/dbraw/zinc/15/57/31/479155731.db2.gz UUJAFDOFQZELDM-HYVNUMGLSA-N 1 2 342.399 2.575 10 5 EFBELO O=[N+]([O-])c1cc2c(nc1N1CC[C@@H](Oc3cc[nH+]cc3)C1)CCCC2 ZINC000515377984 479157498 /nfs/dbraw/zinc/15/74/98/479157498.db2.gz JOLCVNJZMRNTSU-OAHLLOKOSA-N 1 2 340.383 2.921 10 5 EFBELO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCC(Cn2cnnc2)CC1 ZINC000599095566 479158882 /nfs/dbraw/zinc/15/88/82/479158882.db2.gz HGFPZOHUTCNFCG-UHFFFAOYSA-N 1 2 338.371 2.651 10 5 EFBELO COC(=O)[C@@H]1CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C[C@H]1C1CC1 ZINC000599098541 479160769 /nfs/dbraw/zinc/16/07/69/479160769.db2.gz WQEOENUBXFVWML-LSDHHAIUSA-N 1 2 341.367 2.778 10 5 EFBELO C[C@H]1CC[C@@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CS1(=O)=O ZINC000599108960 479163890 /nfs/dbraw/zinc/16/38/90/479163890.db2.gz XECTXOBCDNQBOT-CMPLNLGQSA-N 1 2 335.385 2.521 10 5 EFBELO Cc1cc(N2CC3(C2)CCCO3)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000599145405 479180139 /nfs/dbraw/zinc/18/01/39/479180139.db2.gz RKNTVNYMRRKCNZ-UHFFFAOYSA-N 1 2 326.356 2.729 10 5 EFBELO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000602112287 479181154 /nfs/dbraw/zinc/18/11/54/479181154.db2.gz YIRPSLVYPZKLKH-IOASZLSFSA-N 1 2 344.396 2.696 10 5 EFBELO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000602112287 479181162 /nfs/dbraw/zinc/18/11/62/479181162.db2.gz YIRPSLVYPZKLKH-IOASZLSFSA-N 1 2 344.396 2.696 10 5 EFBELO CCC(F)(F)CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000599149364 479182014 /nfs/dbraw/zinc/18/20/14/479182014.db2.gz KXEMEHWVFZSNMH-UHFFFAOYSA-N 1 2 329.347 2.884 10 5 EFBELO O=C(C[N@@H+]1CC[C@]2(CC2(F)F)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000593115220 479182434 /nfs/dbraw/zinc/18/24/34/479182434.db2.gz ANRIQWJKBWTMHD-ZDUSSCGKSA-N 1 2 345.733 2.918 10 5 EFBELO O=C(C[N@H+]1CC[C@]2(CC2(F)F)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000593115220 479182440 /nfs/dbraw/zinc/18/24/40/479182440.db2.gz ANRIQWJKBWTMHD-ZDUSSCGKSA-N 1 2 345.733 2.918 10 5 EFBELO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000599167911 479192992 /nfs/dbraw/zinc/19/29/92/479192992.db2.gz UTUUHMMBQCFPLW-HEWAKGLMSA-N 1 2 331.397 2.633 10 5 EFBELO Cn1c[nH+]c(CCNc2c(Br)cccc2[N+](=O)[O-])c1 ZINC000596265855 479230898 /nfs/dbraw/zinc/23/08/98/479230898.db2.gz VNRCMYGPDVISIO-UHFFFAOYSA-N 1 2 325.166 2.745 10 5 EFBELO COc1cc(SC[C@H]2C[N@H+](C)CCO2)c(Cl)cc1[N+](=O)[O-] ZINC000596284565 479237556 /nfs/dbraw/zinc/23/75/56/479237556.db2.gz APEOOBMEOCMJHV-SECBINFHSA-N 1 2 332.809 2.680 10 5 EFBELO COc1cc(SC[C@H]2C[N@@H+](C)CCO2)c(Cl)cc1[N+](=O)[O-] ZINC000596284565 479237563 /nfs/dbraw/zinc/23/75/63/479237563.db2.gz APEOOBMEOCMJHV-SECBINFHSA-N 1 2 332.809 2.680 10 5 EFBELO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](OC(F)F)C2)cccc1[N+](=O)[O-] ZINC000556971919 479244110 /nfs/dbraw/zinc/24/41/10/479244110.db2.gz PZHFLCICYZENSP-MNOVXSKESA-N 1 2 343.330 2.544 10 5 EFBELO Cc1c(NC(=O)[C@@H](C)[N@H+]2CC[C@H](OC(F)F)C2)cccc1[N+](=O)[O-] ZINC000556971919 479244115 /nfs/dbraw/zinc/24/41/15/479244115.db2.gz PZHFLCICYZENSP-MNOVXSKESA-N 1 2 343.330 2.544 10 5 EFBELO CCc1cc[nH+]cc1NCc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000593222014 479247900 /nfs/dbraw/zinc/24/79/00/479247900.db2.gz DSHDNAUTRPJTAB-UHFFFAOYSA-N 1 2 345.355 2.716 10 5 EFBELO COC1CC(CCNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000596307632 479248559 /nfs/dbraw/zinc/24/85/59/479248559.db2.gz CDEQFELXKQORQK-UHFFFAOYSA-N 1 2 349.431 2.654 10 5 EFBELO Cc1cc(N2C[C@@H](C)C(O)[C@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000596462871 479304998 /nfs/dbraw/zinc/30/49/98/479304998.db2.gz LUHXHEJUADGFAX-VXGBXAGGSA-N 1 2 342.399 2.813 10 5 EFBELO O=[N+]([O-])c1ccc(-c2nnc(C[NH+]3CC4(C3)CC(F)(F)C4)o2)cc1 ZINC000611180685 479305106 /nfs/dbraw/zinc/30/51/06/479305106.db2.gz PAWUYPIUAUULMD-UHFFFAOYSA-N 1 2 336.298 2.876 10 5 EFBELO Cc1nccc([C@H]2CCC[N@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)n1 ZINC000611262801 479328879 /nfs/dbraw/zinc/32/88/79/479328879.db2.gz ASTSXOHTDMYYLA-ZDUSSCGKSA-N 1 2 328.372 2.778 10 5 EFBELO Cc1nccc([C@H]2CCC[N@@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)n1 ZINC000611262801 479328884 /nfs/dbraw/zinc/32/88/84/479328884.db2.gz ASTSXOHTDMYYLA-ZDUSSCGKSA-N 1 2 328.372 2.778 10 5 EFBELO CC(C)NC(=O)[C@H]1CCCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000596537258 479333114 /nfs/dbraw/zinc/33/31/14/479333114.db2.gz FEDDAHLDBBUKPN-AWEZNQCLSA-N 1 2 342.399 2.884 10 5 EFBELO CC1(C)OCC[C@@H]1CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000596545320 479335290 /nfs/dbraw/zinc/33/52/90/479335290.db2.gz RPKFTMYIIQJAHP-OAHLLOKOSA-N 1 2 349.431 2.654 10 5 EFBELO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1Cc2cnn(C)c2CC(C)(C)C1 ZINC000596598437 479354230 /nfs/dbraw/zinc/35/42/30/479354230.db2.gz GBZGLXDKGMFHQV-UHFFFAOYSA-N 1 2 344.415 2.921 10 5 EFBELO COc1ccc([N+](=O)[O-])cc1C[N@H+]1Cc2cnn(C)c2CC(C)(C)C1 ZINC000596598437 479354237 /nfs/dbraw/zinc/35/42/37/479354237.db2.gz GBZGLXDKGMFHQV-UHFFFAOYSA-N 1 2 344.415 2.921 10 5 EFBELO C[C@@H]1C[C@H](CO)CC[N@@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000599675694 479385789 /nfs/dbraw/zinc/38/57/89/479385789.db2.gz XZPKOEHHYPEGDK-GHMZBOCLSA-N 1 2 343.221 2.950 10 5 EFBELO C[C@@H]1C[C@H](CO)CC[N@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000599675694 479385791 /nfs/dbraw/zinc/38/57/91/479385791.db2.gz XZPKOEHHYPEGDK-GHMZBOCLSA-N 1 2 343.221 2.950 10 5 EFBELO C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H](CCc1ccccc1)C(F)F ZINC000599681064 479388965 /nfs/dbraw/zinc/38/89/65/479388965.db2.gz BTIPIBSJYMZLTQ-AWEZNQCLSA-N 1 2 338.358 2.990 10 5 EFBELO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H](CCc1ccccc1)C(F)F ZINC000599681064 479388968 /nfs/dbraw/zinc/38/89/68/479388968.db2.gz BTIPIBSJYMZLTQ-AWEZNQCLSA-N 1 2 338.358 2.990 10 5 EFBELO COC(=O)C(C)(C)[C@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000611531846 479408242 /nfs/dbraw/zinc/40/82/42/479408242.db2.gz DTYMKVJYDLSDPH-ZDUSSCGKSA-N 1 2 336.388 2.712 10 5 EFBELO COC(=O)C(C)(C)[C@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000611531846 479408247 /nfs/dbraw/zinc/40/82/47/479408247.db2.gz DTYMKVJYDLSDPH-ZDUSSCGKSA-N 1 2 336.388 2.712 10 5 EFBELO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCn2c(CC3CC3)nnc2C1 ZINC000593658117 479414321 /nfs/dbraw/zinc/41/43/21/479414321.db2.gz QZGIZXLDUYGUHV-HWKANZROSA-N 1 2 339.399 2.668 10 5 EFBELO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCn2c(CC3CC3)nnc2C1 ZINC000593658117 479414326 /nfs/dbraw/zinc/41/43/26/479414326.db2.gz QZGIZXLDUYGUHV-HWKANZROSA-N 1 2 339.399 2.668 10 5 EFBELO CC(C)(C)CC(=O)N1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000603662717 479417685 /nfs/dbraw/zinc/41/76/85/479417685.db2.gz UUZUQXWYMLXLBS-UHFFFAOYSA-N 1 2 349.431 2.554 10 5 EFBELO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000611577312 479421863 /nfs/dbraw/zinc/42/18/63/479421863.db2.gz HTSNIOITUZBWQQ-GHMZBOCLSA-N 1 2 343.330 2.625 10 5 EFBELO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](OC(F)F)C1 ZINC000611577312 479421867 /nfs/dbraw/zinc/42/18/67/479421867.db2.gz HTSNIOITUZBWQQ-GHMZBOCLSA-N 1 2 343.330 2.625 10 5 EFBELO Cc1noc(C)c1C[NH+]1CCN(c2nc(C)cc(C)c2[N+](=O)[O-])CC1 ZINC000611615820 479429871 /nfs/dbraw/zinc/42/98/71/479429871.db2.gz HBXYUFLFZZUEIC-UHFFFAOYSA-N 1 2 345.403 2.534 10 5 EFBELO CC(C)(C)CC(=O)N1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000603835947 479435026 /nfs/dbraw/zinc/43/50/26/479435026.db2.gz XAQPANBVJYIUGK-UHFFFAOYSA-N 1 2 349.431 2.554 10 5 EFBELO Cc1cccn2cc(CCNc3nc4cc([N+](=O)[O-])ccc4[nH]3)[nH+]c12 ZINC000618584780 479505282 /nfs/dbraw/zinc/50/52/82/479505282.db2.gz GDCNADOQDOWXAH-UHFFFAOYSA-N 1 2 336.355 2.504 10 5 EFBELO CCOC(=O)c1cccc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])n1 ZINC000600113493 479521973 /nfs/dbraw/zinc/52/19/73/479521973.db2.gz YZAYGINZXGUGSZ-UHFFFAOYSA-N 1 2 329.356 2.799 10 5 EFBELO CCOC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])n1 ZINC000600113493 479521978 /nfs/dbraw/zinc/52/19/78/479521978.db2.gz YZAYGINZXGUGSZ-UHFFFAOYSA-N 1 2 329.356 2.799 10 5 EFBELO CC[N@H+](Cc1ccncc1)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589518430 479537345 /nfs/dbraw/zinc/53/73/45/479537345.db2.gz MSFDKMZMNGMZKG-UHFFFAOYSA-N 1 2 329.356 2.799 10 5 EFBELO CC[N@@H+](Cc1ccncc1)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589518430 479537349 /nfs/dbraw/zinc/53/73/49/479537349.db2.gz MSFDKMZMNGMZKG-UHFFFAOYSA-N 1 2 329.356 2.799 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000604562906 479544954 /nfs/dbraw/zinc/54/49/54/479544954.db2.gz ZSKZXZUEFUEUDT-UHFFFAOYSA-N 1 2 325.368 2.649 10 5 EFBELO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000614937047 479552074 /nfs/dbraw/zinc/55/20/74/479552074.db2.gz AYEYCTHXJJZUNM-ZDUSSCGKSA-N 1 2 345.359 2.669 10 5 EFBELO COc1cc(C[N@@H+]2CCO[C@](C)(C3CC3)C2)c([N+](=O)[O-])cc1OC ZINC000597179139 479607588 /nfs/dbraw/zinc/60/75/88/479607588.db2.gz GOXMAIBXNKNHNJ-KRWDZBQOSA-N 1 2 336.388 2.613 10 5 EFBELO COc1cc(C[N@H+]2CCO[C@](C)(C3CC3)C2)c([N+](=O)[O-])cc1OC ZINC000597179139 479607593 /nfs/dbraw/zinc/60/75/93/479607593.db2.gz GOXMAIBXNKNHNJ-KRWDZBQOSA-N 1 2 336.388 2.613 10 5 EFBELO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@H]1C(F)(F)F ZINC000590378643 479637330 /nfs/dbraw/zinc/63/73/30/479637330.db2.gz YTJVASLQAAUHSL-LBPRGKRZSA-N 1 2 340.261 2.557 10 5 EFBELO CC[C@@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)c1cccc([N+](=O)[O-])c1 ZINC000590443981 479648006 /nfs/dbraw/zinc/64/80/06/479648006.db2.gz WKMCIMDAABDBRB-CZUORRHYSA-N 1 2 328.372 2.621 10 5 EFBELO O=[N+]([O-])c1ccc(C[N@@H+]2CCO[C@@]3(CCSC3)C2)c(Cl)c1 ZINC000579226277 479676312 /nfs/dbraw/zinc/67/63/12/479676312.db2.gz BJZQBEWLRCFLLY-AWEZNQCLSA-N 1 2 328.821 2.956 10 5 EFBELO O=[N+]([O-])c1ccc(C[N@H+]2CCO[C@@]3(CCSC3)C2)c(Cl)c1 ZINC000579226277 479676313 /nfs/dbraw/zinc/67/63/13/479676313.db2.gz BJZQBEWLRCFLLY-AWEZNQCLSA-N 1 2 328.821 2.956 10 5 EFBELO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](Cc1ccn(C3CCCC3)n1)CC2 ZINC000612468217 479677474 /nfs/dbraw/zinc/67/74/74/479677474.db2.gz VVIXPEIRVAHLHM-UHFFFAOYSA-N 1 2 327.388 2.860 10 5 EFBELO O=[N+]([O-])c1cnc2c(c1)C[N@H+](Cc1ccn(C3CCCC3)n1)CC2 ZINC000612468217 479677477 /nfs/dbraw/zinc/67/74/77/479677477.db2.gz VVIXPEIRVAHLHM-UHFFFAOYSA-N 1 2 327.388 2.860 10 5 EFBELO COc1ccc(COCC[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)cc1 ZINC000612468193 479677686 /nfs/dbraw/zinc/67/76/86/479677686.db2.gz LNQPQZJRJWRDCT-UHFFFAOYSA-N 1 2 343.383 2.573 10 5 EFBELO COc1ccc(COCC[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)cc1 ZINC000612468193 479677690 /nfs/dbraw/zinc/67/76/90/479677690.db2.gz LNQPQZJRJWRDCT-UHFFFAOYSA-N 1 2 343.383 2.573 10 5 EFBELO C[C@H]1CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C[C@H]1F ZINC000619154640 479701172 /nfs/dbraw/zinc/70/11/72/479701172.db2.gz BCYDROGXLLSOMP-DZGCQCFKSA-N 1 2 337.395 2.611 10 5 EFBELO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc[nH+]cc1N(C)C ZINC000614050477 480175690 /nfs/dbraw/zinc/17/56/90/480175690.db2.gz AUNGTJZYPSTZEE-AWEZNQCLSA-N 1 2 342.399 2.685 10 5 EFBELO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609875863 480215755 /nfs/dbraw/zinc/21/57/55/480215755.db2.gz FUEAURBJKPQFRM-ZDUSSCGKSA-N 1 2 334.763 2.922 10 5 EFBELO Cc1ccc(C[NH2+]Cc2n[nH]cc2Br)cc1[N+](=O)[O-] ZINC000610009911 480228885 /nfs/dbraw/zinc/22/88/85/480228885.db2.gz CRWYJPTWORUXMK-UHFFFAOYSA-N 1 2 325.166 2.679 10 5 EFBELO O=C(NCCc1ccc([N+](=O)[O-])cc1)Nc1ccc2[nH+]ccn2c1 ZINC000610026573 480230846 /nfs/dbraw/zinc/23/08/46/480230846.db2.gz NQBQKYAHQIHCKJ-UHFFFAOYSA-N 1 2 325.328 2.607 10 5 EFBELO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1ccc2[nH+]ccn2c1 ZINC000610499727 480323481 /nfs/dbraw/zinc/32/34/81/480323481.db2.gz ILXZPXRLQGMHQX-UHFFFAOYSA-N 1 2 346.368 2.660 10 5 EFBELO C[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1CCN(c2ccccc2)C1=O ZINC000068814935 523318293 /nfs/dbraw/zinc/31/82/93/523318293.db2.gz MHQMCWRLUKVIEM-KRWDZBQOSA-N 1 2 325.368 2.832 10 5 EFBELO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1CCN(c2ccccc2)C1=O ZINC000068814935 523318298 /nfs/dbraw/zinc/31/82/98/523318298.db2.gz MHQMCWRLUKVIEM-KRWDZBQOSA-N 1 2 325.368 2.832 10 5 EFBELO C[C@@H](C(=O)N1CCC[C@H]1Cn1cc[nH+]c1)c1ccc([N+](=O)[O-])cc1F ZINC000183052994 524121017 /nfs/dbraw/zinc/12/10/17/524121017.db2.gz RODXHVZTQFLQLX-OCCSQVGLSA-N 1 2 346.362 2.725 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000120679505 525558874 /nfs/dbraw/zinc/55/88/74/525558874.db2.gz GHORVIDKUHXMFA-AWEZNQCLSA-N 1 2 342.399 2.732 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000120679369 525559684 /nfs/dbraw/zinc/55/96/84/525559684.db2.gz GHORVIDKUHXMFA-CQSZACIVSA-N 1 2 342.399 2.732 10 5 EFBELO Cc1c(C[N@H+](C)Cc2nc(-c3cccnc3)no2)cccc1[N+](=O)[O-] ZINC000120258593 525701621 /nfs/dbraw/zinc/70/16/21/525701621.db2.gz MSUBDDHKTXDCSO-UHFFFAOYSA-N 1 2 339.355 2.980 10 5 EFBELO Cc1c(C[N@@H+](C)Cc2nc(-c3cccnc3)no2)cccc1[N+](=O)[O-] ZINC000120258593 525701635 /nfs/dbraw/zinc/70/16/35/525701635.db2.gz MSUBDDHKTXDCSO-UHFFFAOYSA-N 1 2 339.355 2.980 10 5 EFBELO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCc1cccnc1-n1cc[nH+]c1 ZINC000056654269 527617796 /nfs/dbraw/zinc/61/77/96/527617796.db2.gz HKKPBPLJNFJRST-VMPITWQZSA-N 1 2 349.350 2.505 10 5 EFBELO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1C)[C@H](C)CS(=O)(=O)CC ZINC000183348466 528796279 /nfs/dbraw/zinc/79/62/79/528796279.db2.gz CKOZYHHTKUKJLY-CYBMUJFWSA-N 1 2 328.434 2.548 10 5 EFBELO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1C)[C@H](C)CS(=O)(=O)CC ZINC000183348466 528796284 /nfs/dbraw/zinc/79/62/84/528796284.db2.gz CKOZYHHTKUKJLY-CYBMUJFWSA-N 1 2 328.434 2.548 10 5 EFBELO O=[N+]([O-])c1cnc2c(c1)C[N@H+](C[C@H](O)c1cccc(Cl)c1)CC2 ZINC000754218931 575407171 /nfs/dbraw/zinc/40/71/71/575407171.db2.gz OEPUJIOMOCOMRI-INIZCTEOSA-N 1 2 333.775 2.735 10 5 EFBELO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](C[C@H](O)c1cccc(Cl)c1)CC2 ZINC000754218931 575407174 /nfs/dbraw/zinc/40/71/74/575407174.db2.gz OEPUJIOMOCOMRI-INIZCTEOSA-N 1 2 333.775 2.735 10 5 EFBELO C[N@H+](CCCCS(C)(=O)=O)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000759688961 575921633 /nfs/dbraw/zinc/92/16/33/575921633.db2.gz KBWLOUVTHVCNCI-UHFFFAOYSA-N 1 2 334.825 2.505 10 5 EFBELO C[N@@H+](CCCCS(C)(=O)=O)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000759688961 575921634 /nfs/dbraw/zinc/92/16/34/575921634.db2.gz KBWLOUVTHVCNCI-UHFFFAOYSA-N 1 2 334.825 2.505 10 5 EFBELO C[N@@H+](Cc1c(Br)cccc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000768247282 577262791 /nfs/dbraw/zinc/26/27/91/577262791.db2.gz BAHIFYKTNKVNSC-JTQLQIEISA-N 1 2 329.194 2.968 10 5 EFBELO C[N@H+](Cc1c(Br)cccc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000768247282 577262792 /nfs/dbraw/zinc/26/27/92/577262792.db2.gz BAHIFYKTNKVNSC-JTQLQIEISA-N 1 2 329.194 2.968 10 5 EFBELO Cc1cn2cc(NC(=O)COc3ccc([N+](=O)[O-])c(F)c3)ccc2[nH+]1 ZINC000726944523 577422570 /nfs/dbraw/zinc/42/25/70/577422570.db2.gz CNFWNCGWIWVYDQ-UHFFFAOYSA-N 1 2 344.302 2.708 10 5 EFBELO Cc1nn(C[N@@H+]2CCC[C@@]3(C2)OCc2ccccc23)cc1[N+](=O)[O-] ZINC000774697748 581498151 /nfs/dbraw/zinc/49/81/51/581498151.db2.gz DISXAPQEVHLSDM-KRWDZBQOSA-N 1 2 328.372 2.579 10 5 EFBELO Cc1nn(C[N@H+]2CCC[C@@]3(C2)OCc2ccccc23)cc1[N+](=O)[O-] ZINC000774697748 581498152 /nfs/dbraw/zinc/49/81/52/581498152.db2.gz DISXAPQEVHLSDM-KRWDZBQOSA-N 1 2 328.372 2.579 10 5 EFBELO Cc1nn(C[N@@H+]2CCC[C@]3(C2)OCc2ccccc23)c(C)c1[N+](=O)[O-] ZINC000774698493 581498207 /nfs/dbraw/zinc/49/82/07/581498207.db2.gz CCQUREYVRQROGV-GOSISDBHSA-N 1 2 342.399 2.887 10 5 EFBELO Cc1nn(C[N@H+]2CCC[C@]3(C2)OCc2ccccc23)c(C)c1[N+](=O)[O-] ZINC000774698493 581498208 /nfs/dbraw/zinc/49/82/08/581498208.db2.gz CCQUREYVRQROGV-GOSISDBHSA-N 1 2 342.399 2.887 10 5 EFBELO O=C(NCC[C@@H]1CC[C@H]2C[C@H]21)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001626048467 1257745010 /nfs/dbraw/zinc/74/50/10/1257745010.db2.gz GOKWTFHGUXSGEB-YDHLFZDLSA-N 1 2 340.383 2.947 10 5 EFBELO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000825123861 1278419216 /nfs/dbraw/zinc/41/92/16/1278419216.db2.gz DSWBXPXVOBWKJP-PRHODGIISA-N 1 2 338.713 2.993 10 5 EFBELO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000825123861 1278419224 /nfs/dbraw/zinc/41/92/24/1278419224.db2.gz DSWBXPXVOBWKJP-PRHODGIISA-N 1 2 338.713 2.993 10 5 EFBELO O=C1c2cccc([N+](=O)[O-])c2C(=O)N1C[N@@H+]1CCC2(C1)CCCCC2 ZINC000742167464 1269911498 /nfs/dbraw/zinc/91/14/98/1269911498.db2.gz VAVQNCLEQWYKGG-UHFFFAOYSA-N 1 2 343.383 2.805 10 5 EFBELO O=C1c2cccc([N+](=O)[O-])c2C(=O)N1C[N@H+]1CCC2(C1)CCCCC2 ZINC000742167464 1269911512 /nfs/dbraw/zinc/91/15/12/1269911512.db2.gz VAVQNCLEQWYKGG-UHFFFAOYSA-N 1 2 343.383 2.805 10 5 EFBELO O=C(OCc1cscn1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001128828543 1270986400 /nfs/dbraw/zinc/98/64/00/1270986400.db2.gz GHEFWDAVARUQAX-UHFFFAOYSA-N 1 2 330.325 2.594 10 5 EFBELO Nc1cc(COC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)cc[nH+]1 ZINC000792122536 1278600280 /nfs/dbraw/zinc/60/02/80/1278600280.db2.gz YDMBOWJIIZQPAA-UHFFFAOYSA-N 1 2 339.254 2.530 10 5 EFBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H](C(F)(F)F)C2)c1 ZINC000844314704 1278856950 /nfs/dbraw/zinc/85/69/50/1278856950.db2.gz UHTUFJLEJICQRR-LLVKDONJSA-N 1 2 332.278 2.766 10 5 EFBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@@H](C(F)(F)F)C2)c1 ZINC000844314704 1278856965 /nfs/dbraw/zinc/85/69/65/1278856965.db2.gz UHTUFJLEJICQRR-LLVKDONJSA-N 1 2 332.278 2.766 10 5 EFBELO CC[C@H](C)C(=O)COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000785676158 1275143363 /nfs/dbraw/zinc/14/33/63/1275143363.db2.gz QZISRCBMHKWCGR-NSHDSACASA-N 1 2 331.328 2.553 10 5 EFBELO Cc1cc(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)ccc1-n1cc[nH+]c1 ZINC001143934093 1278958476 /nfs/dbraw/zinc/95/84/76/1278958476.db2.gz QRELDUIDSTWTPG-UHFFFAOYSA-N 1 2 337.339 2.923 10 5 EFBELO CC[C@H](C(=O)OC(C)(C)C)[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000844473203 1279028261 /nfs/dbraw/zinc/02/82/61/1279028261.db2.gz HIXFPCBIYJMSHM-HUUCEWRRSA-N 1 2 338.404 2.680 10 5 EFBELO CC[C@H](C(=O)OC(C)(C)C)[N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000844473203 1279028272 /nfs/dbraw/zinc/02/82/72/1279028272.db2.gz HIXFPCBIYJMSHM-HUUCEWRRSA-N 1 2 338.404 2.680 10 5 EFBELO CC(C)CN1CCO[C@H](C[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000872017817 1287400284 /nfs/dbraw/zinc/40/02/84/1287400284.db2.gz FHYSWOTYYNFRBZ-UONOGXRCSA-N 1 2 339.411 2.741 10 5 EFBELO C[C@H]1CCN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000804547707 1280272768 /nfs/dbraw/zinc/27/27/68/1280272768.db2.gz ACDARCLNJKKXQA-SMDDNHRTSA-N 1 2 331.332 2.787 10 5 EFBELO CC(=O)Nc1ccc(C[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])cn1 ZINC000872067642 1287418709 /nfs/dbraw/zinc/41/87/09/1287418709.db2.gz RDBUDONTVAPXPU-JTQLQIEISA-N 1 2 332.335 2.938 10 5 EFBELO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000806725246 1281136061 /nfs/dbraw/zinc/13/60/61/1281136061.db2.gz KAHRVFAZRIPWBC-UHFFFAOYSA-N 1 2 343.383 2.634 10 5 EFBELO O=C(Nc1cc(F)ccn1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001130872896 1281236341 /nfs/dbraw/zinc/23/63/41/1281236341.db2.gz OTRYXCBXXHPFBG-UHFFFAOYSA-N 1 2 327.275 2.567 10 5 EFBELO CCn1nc(C)cc1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001131970139 1282692820 /nfs/dbraw/zinc/69/28/20/1282692820.db2.gz PSRXJRKCHPNRHJ-UHFFFAOYSA-N 1 2 340.343 2.558 10 5 EFBELO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCS[C@@H](C(F)(F)F)C2)cc1 ZINC001176178597 1287728547 /nfs/dbraw/zinc/72/85/47/1287728547.db2.gz ZAXYTGRQPRXMLT-GFCCVEGCSA-N 1 2 336.335 2.953 10 5 EFBELO O=[N+]([O-])c1ccc(OCC[N@H+]2CCS[C@@H](C(F)(F)F)C2)cc1 ZINC001176178597 1287728557 /nfs/dbraw/zinc/72/85/57/1287728557.db2.gz ZAXYTGRQPRXMLT-GFCCVEGCSA-N 1 2 336.335 2.953 10 5 EFBELO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](OC(F)F)C2)c([N+](=O)[O-])c1 ZINC000775055137 1291020487 /nfs/dbraw/zinc/02/04/87/1291020487.db2.gz QCCFXSTUSISULS-LLVKDONJSA-N 1 2 331.275 2.707 10 5 EFBELO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](OC(F)F)C2)c([N+](=O)[O-])c1 ZINC000775055137 1291020497 /nfs/dbraw/zinc/02/04/97/1291020497.db2.gz QCCFXSTUSISULS-LLVKDONJSA-N 1 2 331.275 2.707 10 5 EFBELO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCCC[C@H]1[C@H]1CCCO1 ZINC001198686765 1295202334 /nfs/dbraw/zinc/20/23/34/1295202334.db2.gz XNPKXPVBNREFGR-GOEBONIOSA-N 1 2 347.415 2.875 10 5 EFBELO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCCC[C@H]1[C@H]1CCCO1 ZINC001198686765 1295202340 /nfs/dbraw/zinc/20/23/40/1295202340.db2.gz XNPKXPVBNREFGR-GOEBONIOSA-N 1 2 347.415 2.875 10 5 EFBELO O=[N+]([O-])c1cn(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)nc1-c1ccccn1 ZINC000853519935 1300144685 /nfs/dbraw/zinc/14/46/85/1300144685.db2.gz VHBTTYBTZPPUSR-CQSZACIVSA-N 1 2 335.314 2.542 10 5 EFBELO O=[N+]([O-])c1cn(C[N@H+]2CC[C@@]3(CC3(F)F)C2)nc1-c1ccccn1 ZINC000853519935 1300144689 /nfs/dbraw/zinc/14/46/89/1300144689.db2.gz VHBTTYBTZPPUSR-CQSZACIVSA-N 1 2 335.314 2.542 10 5 EFBELO C[N@@H+](Cc1ccc(F)cc1)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794615676 1302858571 /nfs/dbraw/zinc/85/85/71/1302858571.db2.gz BGNICUCZMRTEBQ-UHFFFAOYSA-N 1 2 331.303 2.731 10 5 EFBELO C[N@H+](Cc1ccc(F)cc1)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794615676 1302858577 /nfs/dbraw/zinc/85/85/77/1302858577.db2.gz BGNICUCZMRTEBQ-UHFFFAOYSA-N 1 2 331.303 2.731 10 5 EFBELO O=[N+]([O-])c1cc(CO)c(NC2CCN(c3cccc[nH+]3)CC2)cc1F ZINC000865444306 1303259516 /nfs/dbraw/zinc/25/95/16/1303259516.db2.gz MJTMWTRZSOLZCP-UHFFFAOYSA-N 1 2 346.362 2.702 10 5 EFBELO O=[N+]([O-])c1cc(Br)cnc1N[C@H]1CCC[N@H+](CCF)C1 ZINC000865928047 1303458268 /nfs/dbraw/zinc/45/82/68/1303458268.db2.gz OXWBTYBOMOGZNG-JTQLQIEISA-N 1 2 347.188 2.598 10 5 EFBELO O=[N+]([O-])c1cc(Br)cnc1N[C@H]1CCC[N@@H+](CCF)C1 ZINC000865928047 1303458271 /nfs/dbraw/zinc/45/82/71/1303458271.db2.gz OXWBTYBOMOGZNG-JTQLQIEISA-N 1 2 347.188 2.598 10 5 EFBELO O=C(NCC[C@@H]1CCSC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000869608055 1304874486 /nfs/dbraw/zinc/87/44/86/1304874486.db2.gz RUEIZLNKAXCCLY-GFCCVEGCSA-N 1 2 346.412 2.654 10 5 EFBELO CCSc1ccc([N+](=O)[O-])cc1C(=O)O[C@H]1CC[N@H+](CCF)C1 ZINC000802230372 1311489739 /nfs/dbraw/zinc/48/97/39/1311489739.db2.gz DKEQIRRFWFYVIZ-LBPRGKRZSA-N 1 2 342.392 2.907 10 5 EFBELO CCSc1ccc([N+](=O)[O-])cc1C(=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC000802230372 1311489743 /nfs/dbraw/zinc/48/97/43/1311489743.db2.gz DKEQIRRFWFYVIZ-LBPRGKRZSA-N 1 2 342.392 2.907 10 5 EFBELO CSc1cccc(C(=O)O[C@@H]2CC[N@H+](CCF)C2)c1[N+](=O)[O-] ZINC000802232655 1311491306 /nfs/dbraw/zinc/49/13/06/1311491306.db2.gz KQCRMMCSWLKGKX-SNVBAGLBSA-N 1 2 328.365 2.517 10 5 EFBELO CSc1cccc(C(=O)O[C@@H]2CC[N@@H+](CCF)C2)c1[N+](=O)[O-] ZINC000802232655 1311491308 /nfs/dbraw/zinc/49/13/08/1311491308.db2.gz KQCRMMCSWLKGKX-SNVBAGLBSA-N 1 2 328.365 2.517 10 5 EFBELO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)OCCCc1[nH+]ccn1C ZINC000802784726 1312019993 /nfs/dbraw/zinc/01/99/93/1312019993.db2.gz TXGWAXCCNMFDTE-OUKQBFOZSA-N 1 2 329.356 2.908 10 5 EFBELO Cn1cc[nH+]c1CCCOC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000802786642 1312022451 /nfs/dbraw/zinc/02/24/51/1312022451.db2.gz WKLMFHAAGCSUSC-UHFFFAOYSA-N 1 2 335.385 2.596 10 5 EFBELO Cn1ccnc1[C@H]([NH2+][C@@H]1CCO[C@H]1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000903259597 1312515013 /nfs/dbraw/zinc/51/50/13/1312515013.db2.gz IAFYJFQQVGEITG-ZACQAIPSSA-N 1 2 342.399 2.575 10 5 EFBELO C[NH+](C)C1(CNC(=O)c2ccc([N+](=O)[O-])cc2O)CCCCCC1 ZINC001290228289 1321886284 /nfs/dbraw/zinc/88/62/84/1321886284.db2.gz MCZAQLJLHXJJNA-UHFFFAOYSA-N 1 2 335.404 2.685 10 5 EFBELO O=[N+]([O-])c1ccccc1C[NH+]1CCN(c2cc(Cl)ccn2)CC1 ZINC001308089721 1324792760 /nfs/dbraw/zinc/79/27/60/1324792760.db2.gz CDIMMTYPHCQODM-UHFFFAOYSA-N 1 2 332.791 2.965 10 5 EFBELO Cn1cc(C[NH2+]Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)nn1 ZINC001326429755 1329755710 /nfs/dbraw/zinc/75/57/10/1329755710.db2.gz GWTUOJCSSNHKBB-UHFFFAOYSA-N 1 2 347.762 2.927 10 5 EFBELO O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC(Cc2c[nH]c[nH+]2)CC1 ZINC001348557311 1332848162 /nfs/dbraw/zinc/84/81/62/1332848162.db2.gz BQAOZBIDCQVMGM-UHFFFAOYSA-N 1 2 342.399 2.732 10 5 EFBELO Cc1ccc(C(=O)N2CCC(Cc3c[nH]c[nH+]3)CC2)cc1[N+](=O)[O-] ZINC001349599107 1332974827 /nfs/dbraw/zinc/97/48/27/1332974827.db2.gz SVWITBQRWMFPET-UHFFFAOYSA-N 1 2 328.372 2.721 10 5 EFBELO C[NH+](C)CC(C)(C)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC001350740583 1333124165 /nfs/dbraw/zinc/12/41/65/1333124165.db2.gz HAULOXYSTBOTFR-UHFFFAOYSA-N 1 2 349.431 2.740 10 5 EFBELO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCc2cc[nH+]c(N(C)C)c2C1 ZINC001354361760 1334251361 /nfs/dbraw/zinc/25/13/61/1334251361.db2.gz GZYYVCUFXNZGJL-UHFFFAOYSA-N 1 2 340.383 2.821 10 5 EFBELO CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848753864 1334876275 /nfs/dbraw/zinc/87/62/75/1334876275.db2.gz HWAJMUOFISDANI-UPJWGTAASA-N 1 2 335.404 2.707 10 5 EFBELO CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848753864 1334876281 /nfs/dbraw/zinc/87/62/81/1334876281.db2.gz HWAJMUOFISDANI-UPJWGTAASA-N 1 2 335.404 2.707 10 5 EFBELO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC001438570000 1388676146 /nfs/dbraw/zinc/67/61/46/1388676146.db2.gz CPJVXFRWUZZFRK-KRWDZBQOSA-N 1 2 343.358 2.959 10 5 EFBELO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC001438570000 1388676150 /nfs/dbraw/zinc/67/61/50/1388676150.db2.gz CPJVXFRWUZZFRK-KRWDZBQOSA-N 1 2 343.358 2.959 10 5 EFBELO C[C@@H]1C[N@H+](CCNc2cc(C(F)(F)F)ccc2[N+](=O)[O-])CCO1 ZINC001458156143 1395416157 /nfs/dbraw/zinc/41/61/57/1395416157.db2.gz SYKOPPCEIWEOIA-SNVBAGLBSA-N 1 2 333.310 2.746 10 5 EFBELO C[C@@H]1C[N@@H+](CCNc2cc(C(F)(F)F)ccc2[N+](=O)[O-])CCO1 ZINC001458156143 1395416161 /nfs/dbraw/zinc/41/61/61/1395416161.db2.gz SYKOPPCEIWEOIA-SNVBAGLBSA-N 1 2 333.310 2.746 10 5 EFBELO Cc1noc(C[NH+]2CCC(c3nc(C4CCC4)no3)CC2)c1[N+](=O)[O-] ZINC001460648248 1396239977 /nfs/dbraw/zinc/23/99/77/1396239977.db2.gz DDIBUHNZXMZHTJ-UHFFFAOYSA-N 1 2 347.375 2.921 10 5 EFBELO O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)Nc1cccc([N+](=O)[O-])c1 ZINC001463667488 1396512085 /nfs/dbraw/zinc/51/20/85/1396512085.db2.gz VYTOQXFAMRSBLD-LLVKDONJSA-N 1 2 328.250 2.924 10 5 EFBELO CC(C)C[C@H](C(=O)NCCNc1ccc([N+](=O)[O-])cc1)n1cc[nH+]c1 ZINC001464097423 1396547233 /nfs/dbraw/zinc/54/72/33/1396547233.db2.gz CUYZLKRSVNDALL-MRXNPFEDSA-N 1 2 345.403 2.607 10 5 EFBELO COc1ccc(C[NH2+][C@@H](CO)c2cc(F)ccc2F)cc1[N+](=O)[O-] ZINC001473885386 1397344081 /nfs/dbraw/zinc/34/40/81/1397344081.db2.gz UTKQKVKVWFADGM-AWEZNQCLSA-N 1 2 338.310 2.705 10 5 EFBELO O=C(Nc1cc(F)ccc1O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001556081667 1415052147 /nfs/dbraw/zinc/05/21/47/1415052147.db2.gz HACAUZNZSLNLKT-UHFFFAOYSA-N 1 2 342.286 2.878 10 5 EFBELO C[C@@H](C[NH+]1CCOCC1)Nc1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC001559069554 1415223048 /nfs/dbraw/zinc/22/30/48/1415223048.db2.gz VGGVLAAHDPCWCP-JTQLQIEISA-N 1 2 333.310 2.746 10 5 EFBELO O=[N+]([O-])c1ccccc1C[N@H+](CC[S@](=O)C(F)(F)F)C1CC1 ZINC001559666039 1415252744 /nfs/dbraw/zinc/25/27/44/1415252744.db2.gz XDOUSRIASOGTHC-QFIPXVFZSA-N 1 2 336.335 2.828 10 5 EFBELO O=[N+]([O-])c1ccccc1C[N@@H+](CC[S@](=O)C(F)(F)F)C1CC1 ZINC001559666039 1415252748 /nfs/dbraw/zinc/25/27/48/1415252748.db2.gz XDOUSRIASOGTHC-QFIPXVFZSA-N 1 2 336.335 2.828 10 5 EFBELO C[C@H]([NH2+]Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)c1cccnc1 ZINC001559742749 1415254562 /nfs/dbraw/zinc/25/45/62/1415254562.db2.gz VCRMKEBRMHWWAF-NSHDSACASA-N 1 2 325.328 2.891 10 5 EFBELO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CO)c2cc(F)ccc2F)cc1F ZINC001560224635 1415268383 /nfs/dbraw/zinc/26/83/83/1415268383.db2.gz BHZRIYZEUWBQKR-AWEZNQCLSA-N 1 2 326.274 2.835 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCO[C@H](C(C)(C)C)CC1 ZINC001560235849 1415269941 /nfs/dbraw/zinc/26/99/41/1415269941.db2.gz XLAYROQWSPRCOK-INIZCTEOSA-N 1 2 349.431 2.979 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCO[C@H](C(C)(C)C)CC1 ZINC001560235849 1415269943 /nfs/dbraw/zinc/26/99/43/1415269943.db2.gz XLAYROQWSPRCOK-INIZCTEOSA-N 1 2 349.431 2.979 10 5 EFBELO C[C@@H](NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccc([N+](=O)[O-])cc1 ZINC001565338339 1415393140 /nfs/dbraw/zinc/39/31/40/1415393140.db2.gz YFVQOJWEJPMBMM-TZMCWYRMSA-N 1 2 343.387 2.968 10 5 EFBELO CCC[N@H+](CCNC(=O)c1ccco1)Cc1csc([N+](=O)[O-])c1 ZINC001567421796 1416130977 /nfs/dbraw/zinc/13/09/77/1416130977.db2.gz DOZSSFRFIDUCBL-UHFFFAOYSA-N 1 2 337.401 2.891 10 5 EFBELO CCC[N@@H+](CCNC(=O)c1ccco1)Cc1csc([N+](=O)[O-])c1 ZINC001567421796 1416130980 /nfs/dbraw/zinc/13/09/80/1416130980.db2.gz DOZSSFRFIDUCBL-UHFFFAOYSA-N 1 2 337.401 2.891 10 5 EFBELO CCNc1cc(CNC(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])cc[nH+]1 ZINC001685072255 1416742456 /nfs/dbraw/zinc/74/24/56/1416742456.db2.gz VNVKLYOBXBMNOR-LBPRGKRZSA-N 1 2 343.387 2.982 10 5 EFBELO C[N@@H+](Cc1cccc([N+](=O)[O-])c1Br)C[C@H]1CCCO1 ZINC000234285294 714549910 /nfs/dbraw/zinc/54/99/10/714549910.db2.gz BJCUFZOOOYLCNO-LLVKDONJSA-N 1 2 329.194 2.968 10 5 EFBELO C[N@H+](Cc1cccc([N+](=O)[O-])c1Br)C[C@H]1CCCO1 ZINC000234285294 714549912 /nfs/dbraw/zinc/54/99/12/714549912.db2.gz BJCUFZOOOYLCNO-LLVKDONJSA-N 1 2 329.194 2.968 10 5 EFBELO CO[C@@H]1CC[C@H]1[N@H+](C)Cc1cccc([N+](=O)[O-])c1Br ZINC000724122829 715189901 /nfs/dbraw/zinc/18/99/01/715189901.db2.gz UEDSGBNHAIBFBX-ZYHUDNBSSA-N 1 2 329.194 2.967 10 5 EFBELO CO[C@@H]1CC[C@H]1[N@@H+](C)Cc1cccc([N+](=O)[O-])c1Br ZINC000724122829 715189902 /nfs/dbraw/zinc/18/99/02/715189902.db2.gz UEDSGBNHAIBFBX-ZYHUDNBSSA-N 1 2 329.194 2.967 10 5 EFBELO COC(=O)[C@H]1[C@@H](C[N@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)C1(F)F ZINC000893912428 720156876 /nfs/dbraw/zinc/15/68/76/720156876.db2.gz HIWZFNSWOWQWNJ-ZYHUDNBSSA-N 1 2 348.733 2.734 10 5 EFBELO COC(=O)[C@H]1[C@@H](C[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)C1(F)F ZINC000893912428 720156881 /nfs/dbraw/zinc/15/68/81/720156881.db2.gz HIWZFNSWOWQWNJ-ZYHUDNBSSA-N 1 2 348.733 2.734 10 5 EFBELO O=[N+]([O-])c1ccc(OC2C[NH+](Cc3cccc4c3CCOC4)C2)cc1 ZINC000894979034 723042231 /nfs/dbraw/zinc/04/22/31/723042231.db2.gz NDPULBVJBPPQSW-UHFFFAOYSA-N 1 2 340.379 2.931 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000727491870 724078638 /nfs/dbraw/zinc/07/86/38/724078638.db2.gz RDNAWMTXSHLGIS-OAHLLOKOSA-N 1 2 330.388 2.944 10 5 EFBELO CC(=O)c1cc(NCc2nc(C[NH+](C)C)cs2)ccc1[N+](=O)[O-] ZINC000895481872 724160570 /nfs/dbraw/zinc/16/05/70/724160570.db2.gz ZCIRTGNPZPSXAZ-UHFFFAOYSA-N 1 2 334.401 2.928 10 5 EFBELO CC(=O)c1ccc(NCc2nc(C[NH+](C)C)cs2)c([N+](=O)[O-])c1 ZINC000895483833 724161225 /nfs/dbraw/zinc/16/12/25/724161225.db2.gz DJSWLXMKXVLNKF-UHFFFAOYSA-N 1 2 334.401 2.928 10 5 EFBELO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@](CO)(C(F)(F)F)C2)cc1Cl ZINC000895836549 724343319 /nfs/dbraw/zinc/34/33/19/724343319.db2.gz MJEAYGFQPARBPI-GFCCVEGCSA-N 1 2 338.713 2.995 10 5 EFBELO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@](CO)(C(F)(F)F)C2)cc1Cl ZINC000895836549 724343323 /nfs/dbraw/zinc/34/33/23/724343323.db2.gz MJEAYGFQPARBPI-GFCCVEGCSA-N 1 2 338.713 2.995 10 5 EFBELO C[C@H](c1ccccc1Cl)[NH+]1CCN(Cn2nccc2[N+](=O)[O-])CC1 ZINC000054453692 726241629 /nfs/dbraw/zinc/24/16/29/726241629.db2.gz UFYVYSVOGBDHTK-CYBMUJFWSA-N 1 2 349.822 2.781 10 5 EFBELO O=[N+]([O-])c1cc(-c2nc(-c3cccnc3)no2)ccc1-n1cc[nH+]c1 ZINC000731791063 726934490 /nfs/dbraw/zinc/93/44/90/726934490.db2.gz OPAGKLOMWZIYME-UHFFFAOYSA-N 1 2 334.295 2.893 10 5 EFBELO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000907524237 726958420 /nfs/dbraw/zinc/95/84/20/726958420.db2.gz ADIADXIDOWSTMQ-GFCCVEGCSA-N 1 2 348.790 2.509 10 5 EFBELO O=[N+]([O-])c1cnn(C[NH+]2CCC(CN3CCc4ccccc43)CC2)c1 ZINC000732186776 727001944 /nfs/dbraw/zinc/00/19/44/727001944.db2.gz BHBYFFWUEQLODX-UHFFFAOYSA-N 1 2 341.415 2.524 10 5 EFBELO C[C@@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000912649910 727732181 /nfs/dbraw/zinc/73/21/81/727732181.db2.gz FXCGCCONLFXHRZ-CHWSQXEVSA-N 1 2 335.404 2.635 10 5 EFBELO C[C@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000912649913 727732229 /nfs/dbraw/zinc/73/22/29/727732229.db2.gz FXCGCCONLFXHRZ-STQMWFEESA-N 1 2 335.404 2.635 10 5 EFBELO Cc1noc(C)c1C[NH+]1CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000195206926 729122812 /nfs/dbraw/zinc/12/28/12/729122812.db2.gz YVUFEIDESIZKTJ-UHFFFAOYSA-N 1 2 348.378 2.657 10 5 EFBELO CC[NH+](CC)Cc1csc(NC(=O)c2ccc([N+](=O)[O-])cc2N)n1 ZINC001570869690 1086578318 /nfs/dbraw/zinc/57/83/18/1086578318.db2.gz UOEFJCFNHMMKOJ-UHFFFAOYSA-N 1 2 349.416 2.728 10 5 EFBELO CC(C)CC(=O)NCC1=CC[N@H+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001571680273 1087041286 /nfs/dbraw/zinc/04/12/86/1087041286.db2.gz HZFYEFJVOWWRGZ-UHFFFAOYSA-N 1 2 337.445 2.951 10 5 EFBELO CC(C)CC(=O)NCC1=CC[N@@H+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001571680273 1087041294 /nfs/dbraw/zinc/04/12/94/1087041294.db2.gz HZFYEFJVOWWRGZ-UHFFFAOYSA-N 1 2 337.445 2.951 10 5 EFBELO CCOc1ccc(C(=O)Nc2ccn3cc[nH+]c3c2)cc1[N+](=O)[O-] ZINC001583150543 1091912451 /nfs/dbraw/zinc/91/24/51/1091912451.db2.gz LWXIAESFAAXTAZ-UHFFFAOYSA-N 1 2 326.312 2.894 10 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ZINC001596292637 1094524730 /nfs/dbraw/zinc/52/47/30/1094524730.db2.gz AGHGHZSLEGDYRJ-UHFFFAOYSA-N 1 2 337.339 2.990 10 5 EFBELO O=C(NCc1[nH]c2c([nH+]1)CCCC2)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001597584591 1094602289 /nfs/dbraw/zinc/60/22/89/1094602289.db2.gz GSSBLJCXLSPKJK-KGLIPLIRSA-N 1 2 340.383 2.617 10 5 EFBELO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])c2ncccc12)n1cc[nH+]c1 ZINC001268854514 1097686708 /nfs/dbraw/zinc/68/67/08/1097686708.db2.gz WKIHQGFKJKHZOB-NSHDSACASA-N 1 2 325.328 2.929 10 5 EFBELO O=C(Nc1cc2cc[nH]c2cn1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001611372036 1099005549 /nfs/dbraw/zinc/00/55/49/1099005549.db2.gz JUGYBEXNHSKOSN-UHFFFAOYSA-N 1 2 348.322 2.909 10 5 EFBELO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC001615429694 1099159869 /nfs/dbraw/zinc/15/98/69/1099159869.db2.gz OAUDGEOEVBPVBD-ZDUSSCGKSA-N 1 2 344.371 2.667 10 5 EFBELO Cc1c([C@H](C)[NH2+]Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)cnn1C ZINC001616988978 1099204790 /nfs/dbraw/zinc/20/47/90/1099204790.db2.gz NREGZTCYSXOEFY-JTQLQIEISA-N 1 2 342.359 2.538 10 5 EFBELO CC(=O)CCCCCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001624056278 1099656400 /nfs/dbraw/zinc/65/64/00/1099656400.db2.gz GERLLQPAGQJQLK-UHFFFAOYSA-N 1 2 344.371 2.660 10 5 EFBELO Nc1c(Cl)cc(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC001628176176 1100071416 /nfs/dbraw/zinc/07/14/16/1100071416.db2.gz ZZCWAPQVKKMLEB-LLVKDONJSA-N 1 2 349.778 2.504 10 5 EFBELO CC[C@H]1COCC[N@@H+]1CCNC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC001633942827 1100576794 /nfs/dbraw/zinc/57/67/94/1100576794.db2.gz KHSLCBBXSCWNBO-HNNXBMFYSA-N 1 2 349.431 2.559 10 5 EFBELO CC[C@H]1COCC[N@H+]1CCNC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC001633942827 1100576797 /nfs/dbraw/zinc/57/67/97/1100576797.db2.gz KHSLCBBXSCWNBO-HNNXBMFYSA-N 1 2 349.431 2.559 10 5 EFBELO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001634862486 1100633402 /nfs/dbraw/zinc/63/34/02/1100633402.db2.gz BBMJPLOJZBQOJI-HUUCEWRRSA-N 1 2 328.372 2.561 10 5 EFBELO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001634862486 1100633404 /nfs/dbraw/zinc/63/34/04/1100633404.db2.gz BBMJPLOJZBQOJI-HUUCEWRRSA-N 1 2 328.372 2.561 10 5 EFBELO Cc1cc([N+](=O)[O-])c(C(=O)NCCNc2cccc[nH+]2)cc1Cl ZINC001638108338 1100833961 /nfs/dbraw/zinc/83/39/61/1100833961.db2.gz YVGHGPFEORMHTN-UHFFFAOYSA-N 1 2 334.763 2.794 10 5 EFBELO Nc1c(C(=O)Nc2ccc3[nH+]ccn3c2)cc(Cl)c(F)c1[N+](=O)[O-] ZINC001641104546 1101102135 /nfs/dbraw/zinc/10/21/35/1101102135.db2.gz UWFRUOOZFNCUAV-UHFFFAOYSA-N 1 2 349.709 2.870 10 5 EFBELO C[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])c1ccc(-n2cc[nH+]c2)cc1 ZINC001641393221 1101131954 /nfs/dbraw/zinc/13/19/54/1101131954.db2.gz AAJAZSXHOKISKU-ZDUSSCGKSA-N 1 2 330.388 2.885 10 5 EFBELO CCOC(=O)[C@@H](CC)[N@H+](CCOc1ccccc1[N+](=O)[O-])C1CC1 ZINC001642776709 1101241043 /nfs/dbraw/zinc/24/10/43/1101241043.db2.gz CNQRVWUSKJNHLI-CQSZACIVSA-N 1 2 336.388 2.780 10 5 EFBELO CCOC(=O)[C@@H](CC)[N@@H+](CCOc1ccccc1[N+](=O)[O-])C1CC1 ZINC001642776709 1101241053 /nfs/dbraw/zinc/24/10/53/1101241053.db2.gz CNQRVWUSKJNHLI-CQSZACIVSA-N 1 2 336.388 2.780 10 5 EFBELO C[NH+](C)Cc1csc(CNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])n1 ZINC001643196616 1101278999 /nfs/dbraw/zinc/27/89/99/1101278999.db2.gz JXXFTWXMMWVCAM-UHFFFAOYSA-N 1 2 337.361 2.633 10 5 EFBELO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCCCN(C)c1cccc[nH+]1 ZINC001643448144 1101300824 /nfs/dbraw/zinc/30/08/24/1101300824.db2.gz VZVDHOWCUZXIEH-UHFFFAOYSA-N 1 2 342.399 2.863 10 5 EFBELO C[C@@H]1C[N@H+](CCNc2cccc(C(F)(F)F)c2[N+](=O)[O-])CCO1 ZINC001651467877 1101334185 /nfs/dbraw/zinc/33/41/85/1101334185.db2.gz QNDJMUXMSLMNPI-SNVBAGLBSA-N 1 2 333.310 2.746 10 5 EFBELO C[C@@H]1C[N@@H+](CCNc2cccc(C(F)(F)F)c2[N+](=O)[O-])CCO1 ZINC001651467877 1101334200 /nfs/dbraw/zinc/33/42/00/1101334200.db2.gz QNDJMUXMSLMNPI-SNVBAGLBSA-N 1 2 333.310 2.746 10 5 EFBELO C[C@H]1CC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C[C@@H]1O ZINC001653119433 1101588438 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O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCO[C@@H]4CCCC[C@H]43)n2)c1 ZINC000230198293 242248611 /nfs/dbraw/zinc/24/86/11/242248611.db2.gz BJLCAZZXSGCWOB-HUUCEWRRSA-N 1 2 344.371 2.788 10 5 EFBELO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCO[C@@H]4CCCC[C@H]43)n2)c1 ZINC000230198293 242248613 /nfs/dbraw/zinc/24/86/13/242248613.db2.gz BJLCAZZXSGCWOB-HUUCEWRRSA-N 1 2 344.371 2.788 10 5 EFBELO O=[N+]([O-])c1cc(C[N@@H+]2CCO[C@H]3CCCC[C@H]32)c2c(c1)COCO2 ZINC000230251158 242256066 /nfs/dbraw/zinc/25/60/66/242256066.db2.gz KPGNJRASZDWHGY-CVEARBPZSA-N 1 2 334.372 2.605 10 5 EFBELO O=[N+]([O-])c1cc(C[N@H+]2CCO[C@H]3CCCC[C@H]32)c2c(c1)COCO2 ZINC000230251158 242256069 /nfs/dbraw/zinc/25/60/69/242256069.db2.gz KPGNJRASZDWHGY-CVEARBPZSA-N 1 2 334.372 2.605 10 5 EFBELO CN(C(=O)C[N@H+](C)Cc1ccc(Cl)nc1)c1ccc([N+](=O)[O-])cc1 ZINC000080910497 217339551 /nfs/dbraw/zinc/33/95/51/217339551.db2.gz DUFHCLFAMHEXIJ-UHFFFAOYSA-N 1 2 348.790 2.738 10 5 EFBELO CN(C(=O)C[N@@H+](C)Cc1ccc(Cl)nc1)c1ccc([N+](=O)[O-])cc1 ZINC000080910497 217339552 /nfs/dbraw/zinc/33/95/52/217339552.db2.gz DUFHCLFAMHEXIJ-UHFFFAOYSA-N 1 2 348.790 2.738 10 5 EFBELO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000427503487 247358894 /nfs/dbraw/zinc/35/88/94/247358894.db2.gz BTNODZYTLFSYRR-JTQLQIEISA-N 1 2 334.763 2.567 10 5 EFBELO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000427503487 247358899 /nfs/dbraw/zinc/35/88/99/247358899.db2.gz BTNODZYTLFSYRR-JTQLQIEISA-N 1 2 334.763 2.567 10 5 EFBELO Cc1cc(NC[C@@H]2CCC[C@H]2O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000266099256 248096063 /nfs/dbraw/zinc/09/60/63/248096063.db2.gz HIUVHAMLBRFDOT-DZGCQCFKSA-N 1 2 328.372 2.933 10 5 EFBELO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000434300165 248139760 /nfs/dbraw/zinc/13/97/60/248139760.db2.gz MJMFLSWIHRIKLJ-UHFFFAOYSA-N 1 2 339.355 2.819 10 5 EFBELO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000434300165 248139763 /nfs/dbraw/zinc/13/97/63/248139763.db2.gz MJMFLSWIHRIKLJ-UHFFFAOYSA-N 1 2 339.355 2.819 10 5 EFBELO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3ccc(-c4cc[nH]n4)o3)nc2c1 ZINC000434985933 248201904 /nfs/dbraw/zinc/20/19/04/248201904.db2.gz DJOCMCAHEZEZQV-UHFFFAOYSA-N 1 2 338.327 2.744 10 5 EFBELO CN(Cc1[nH]cc[nH+]1)C(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445186633 250393610 /nfs/dbraw/zinc/39/36/10/250393610.db2.gz SAWFODFGRNBDKV-UHFFFAOYSA-N 1 2 332.363 2.677 10 5 EFBELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)c1cc(F)ccc1[N+](=O)[O-])C2 ZINC000112664621 220368053 /nfs/dbraw/zinc/36/80/53/220368053.db2.gz WVCIMOZHIFJYPK-UHFFFAOYSA-N 1 2 346.362 2.789 10 5 EFBELO CO[C@@H]1C[C@@H](c2nc(C)no2)[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000190161409 533544229 /nfs/dbraw/zinc/54/42/29/533544229.db2.gz WQIPKJGZRAKYIF-HMQGTJFBSA-N 1 2 344.371 2.761 10 5 EFBELO CO[C@@H]1C[C@@H](c2nc(C)no2)[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000190161409 533544235 /nfs/dbraw/zinc/54/42/35/533544235.db2.gz WQIPKJGZRAKYIF-HMQGTJFBSA-N 1 2 344.371 2.761 10 5 EFBELO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000182757937 141375456 /nfs/dbraw/zinc/37/54/56/141375456.db2.gz MWAOUWDEFHBINE-HOCLYGCPSA-N 1 2 330.388 2.562 10 5 EFBELO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000182757937 141375457 /nfs/dbraw/zinc/37/54/57/141375457.db2.gz MWAOUWDEFHBINE-HOCLYGCPSA-N 1 2 330.388 2.562 10 5 EFBELO Cc1csc([C@@H]2C[N@H+](CCOc3cccc([N+](=O)[O-])c3)CCO2)n1 ZINC000195385224 141380397 /nfs/dbraw/zinc/38/03/97/141380397.db2.gz FQRBITQXMYCJER-HNNXBMFYSA-N 1 2 349.412 2.812 10 5 EFBELO Cc1csc([C@@H]2C[N@@H+](CCOc3cccc([N+](=O)[O-])c3)CCO2)n1 ZINC000195385224 141380399 /nfs/dbraw/zinc/38/03/99/141380399.db2.gz FQRBITQXMYCJER-HNNXBMFYSA-N 1 2 349.412 2.812 10 5 EFBELO C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000347803419 142274283 /nfs/dbraw/zinc/27/42/83/142274283.db2.gz XJMNEVWFWUTOTJ-MJBXVCDLSA-N 1 2 346.431 2.526 10 5 EFBELO C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000347803419 142274284 /nfs/dbraw/zinc/27/42/84/142274284.db2.gz XJMNEVWFWUTOTJ-MJBXVCDLSA-N 1 2 346.431 2.526 10 5 EFBELO Cc1cc(NC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)cc[nH+]1 ZINC000349153391 146060460 /nfs/dbraw/zinc/06/04/60/146060460.db2.gz RWLXOVYPBTUBAE-UHFFFAOYSA-N 1 2 325.246 2.991 10 5 EFBELO COc1cc(C[NH+]2CCN(c3nc(C)cs3)CC2)ccc1[N+](=O)[O-] ZINC000351971746 146251677 /nfs/dbraw/zinc/25/16/77/146251677.db2.gz VSOFSJJAHARLKT-UHFFFAOYSA-N 1 2 348.428 2.691 10 5 EFBELO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](CCCOc1ccc(F)cc1)CC2 ZINC000353053080 146386649 /nfs/dbraw/zinc/38/66/49/146386649.db2.gz ZAJVQVUXDHKNCG-UHFFFAOYSA-N 1 2 331.347 2.956 10 5 EFBELO O=[N+]([O-])c1cnc2c(c1)C[N@H+](CCCOc1ccc(F)cc1)CC2 ZINC000353053080 146386652 /nfs/dbraw/zinc/38/66/52/146386652.db2.gz ZAJVQVUXDHKNCG-UHFFFAOYSA-N 1 2 331.347 2.956 10 5 EFBELO Cn1c(-c2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)ccc1[N+](=O)[O-] ZINC000356596408 147286243 /nfs/dbraw/zinc/28/62/43/147286243.db2.gz RGRANJZHUBNKJP-UHFFFAOYSA-N 1 2 336.311 2.836 10 5 EFBELO O=C(CCc1c[nH+]c[nH]1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000356805902 147341025 /nfs/dbraw/zinc/34/10/25/147341025.db2.gz JZLWUZWSABOOEM-UHFFFAOYSA-N 1 2 339.149 2.652 10 5 EFBELO O=C(CCc1c[nH]c[nH+]1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000356805902 147341027 /nfs/dbraw/zinc/34/10/27/147341027.db2.gz JZLWUZWSABOOEM-UHFFFAOYSA-N 1 2 339.149 2.652 10 5 EFBELO C[C@H](c1nc(Cc2c[nH+]cn2C)no1)c1ccc([N+](=O)[O-])cc1F ZINC000357942803 147665689 /nfs/dbraw/zinc/66/56/89/147665689.db2.gz FWSNNTGJKQFONV-VIFPVBQESA-N 1 2 331.307 2.593 10 5 EFBELO Cc1c(CNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cccc1[N+](=O)[O-] ZINC000359551771 148120187 /nfs/dbraw/zinc/12/01/87/148120187.db2.gz LOKFXXRPRSOADC-UHFFFAOYSA-N 1 2 343.387 2.716 10 5 EFBELO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000364414611 149144445 /nfs/dbraw/zinc/14/44/45/149144445.db2.gz FMEXBLRGVXFZOO-ABAIWWIYSA-N 1 2 344.371 2.817 10 5 EFBELO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCO[C@H](C2CC2)C1 ZINC000364414611 149144449 /nfs/dbraw/zinc/14/44/49/149144449.db2.gz FMEXBLRGVXFZOO-ABAIWWIYSA-N 1 2 344.371 2.817 10 5 EFBELO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000368092165 150034532 /nfs/dbraw/zinc/03/45/32/150034532.db2.gz JIHNZWBOSMYMEU-MRVPVSSYSA-N 1 2 335.751 2.650 10 5 EFBELO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000368092165 150034538 /nfs/dbraw/zinc/03/45/38/150034538.db2.gz JIHNZWBOSMYMEU-MRVPVSSYSA-N 1 2 335.751 2.650 10 5 EFBELO Cc1cn2c([nH+]1)CN(C(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1)CC2 ZINC000372628456 151040397 /nfs/dbraw/zinc/04/03/97/151040397.db2.gz BIEGVTWPFAOZLA-UHFFFAOYSA-N 1 2 328.372 2.879 10 5 EFBELO Cc1cc(F)cc([C@@]2(F)CC[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)c1 ZINC000374330083 151325059 /nfs/dbraw/zinc/32/50/59/151325059.db2.gz WGJIBWGSHCZIEK-MRXNPFEDSA-N 1 2 336.342 2.810 10 5 EFBELO Cc1cc(F)cc([C@@]2(F)CC[N@@H+](CCn3ccc([N+](=O)[O-])n3)C2)c1 ZINC000374330083 151325060 /nfs/dbraw/zinc/32/50/60/151325060.db2.gz WGJIBWGSHCZIEK-MRXNPFEDSA-N 1 2 336.342 2.810 10 5 EFBELO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000408067550 152147926 /nfs/dbraw/zinc/14/79/26/152147926.db2.gz CYGUZDPVHSXKMI-MJBXVCDLSA-N 1 2 347.415 2.778 10 5 EFBELO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000408067550 152147928 /nfs/dbraw/zinc/14/79/28/152147928.db2.gz CYGUZDPVHSXKMI-MJBXVCDLSA-N 1 2 347.415 2.778 10 5 EFBELO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000408067546 152148219 /nfs/dbraw/zinc/14/82/19/152148219.db2.gz CYGUZDPVHSXKMI-MCIONIFRSA-N 1 2 347.415 2.778 10 5 EFBELO CN(CC[N@H+](C)C1CCCCC1)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000280939899 273383600 /nfs/dbraw/zinc/38/36/00/273383600.db2.gz LGXXHWRPRAEZHA-UHFFFAOYSA-N 1 2 335.404 2.637 10 5 EFBELO CN(CC[N@@H+](C)C1CCCCC1)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000280939899 273383602 /nfs/dbraw/zinc/38/36/02/273383602.db2.gz LGXXHWRPRAEZHA-UHFFFAOYSA-N 1 2 335.404 2.637 10 5 EFBELO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000280975816 273387448 /nfs/dbraw/zinc/38/74/48/273387448.db2.gz OWHZCBFYHBCAFX-UHFFFAOYSA-N 1 2 344.371 2.736 10 5 EFBELO C[NH+](C)CCN(Cc1ccccc1)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000281037017 273394082 /nfs/dbraw/zinc/39/40/82/273394082.db2.gz VWYUQTIECGWBQC-UHFFFAOYSA-N 1 2 343.383 2.504 10 5 EFBELO O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282224380 273531853 /nfs/dbraw/zinc/53/18/53/273531853.db2.gz HLOXIHSOOORZRQ-LBPRGKRZSA-N 1 2 344.371 2.740 10 5 EFBELO Cn1nccc1C1=CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000285699448 274056004 /nfs/dbraw/zinc/05/60/04/274056004.db2.gz SIAQUFDJKLOGTH-UHFFFAOYSA-N 1 2 334.326 2.896 10 5 EFBELO Cn1nccc1C1=CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000285699448 274056005 /nfs/dbraw/zinc/05/60/05/274056005.db2.gz SIAQUFDJKLOGTH-UHFFFAOYSA-N 1 2 334.326 2.896 10 5 EFBELO COC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000286567049 274226451 /nfs/dbraw/zinc/22/64/51/274226451.db2.gz PKBQGDLLGDDDKW-NSHDSACASA-N 1 2 338.307 2.584 10 5 EFBELO COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000286567049 274226453 /nfs/dbraw/zinc/22/64/53/274226453.db2.gz PKBQGDLLGDDDKW-NSHDSACASA-N 1 2 338.307 2.584 10 5 EFBELO COc1cc(C[N@@H+]2CC[C@]23CCOC3)c([N+](=O)[O-])cc1OC(F)F ZINC000421016926 277377242 /nfs/dbraw/zinc/37/72/42/277377242.db2.gz JNJLUUSAXIVLJN-OAHLLOKOSA-N 1 2 344.314 2.570 10 5 EFBELO COc1cc(C[N@H+]2CC[C@]23CCOC3)c([N+](=O)[O-])cc1OC(F)F ZINC000421016926 277377243 /nfs/dbraw/zinc/37/72/43/277377243.db2.gz JNJLUUSAXIVLJN-OAHLLOKOSA-N 1 2 344.314 2.570 10 5 EFBELO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000122833740 277430836 /nfs/dbraw/zinc/43/08/36/277430836.db2.gz GCCDMJAMWANRDT-LRDDRELGSA-N 1 2 344.371 2.523 10 5 EFBELO CC(C)c1ccc(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)cc1[N+](=O)[O-] ZINC000364813042 278032000 /nfs/dbraw/zinc/03/20/00/278032000.db2.gz YRCSSBBIKWMULV-GFCCVEGCSA-N 1 2 328.372 2.729 10 5 EFBELO CC(C)c1ccc(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)cc1[N+](=O)[O-] ZINC000364813042 278032002 /nfs/dbraw/zinc/03/20/02/278032002.db2.gz YRCSSBBIKWMULV-GFCCVEGCSA-N 1 2 328.372 2.729 10 5 EFBELO Cc1ncc(C[NH+]2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)s1 ZINC000065968736 292687145 /nfs/dbraw/zinc/68/71/45/292687145.db2.gz IFGGKYZQUJVZST-UHFFFAOYSA-N 1 2 332.429 2.678 10 5 EFBELO CN(C)c1[nH+]cccc1CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000352155905 289438494 /nfs/dbraw/zinc/43/84/94/289438494.db2.gz WTXUMIFQCVWJFR-UHFFFAOYSA-N 1 2 342.399 2.650 10 5 EFBELO C[C@H]1CCCC[C@@H]1NC(=O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153292046 293369348 /nfs/dbraw/zinc/36/93/48/293369348.db2.gz KYPDGGIHHWHLJG-BBRMVZONSA-N 1 2 331.416 2.648 10 5 EFBELO C[C@H]1CCCC[C@@H]1NC(=O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153292046 293369351 /nfs/dbraw/zinc/36/93/51/293369351.db2.gz KYPDGGIHHWHLJG-BBRMVZONSA-N 1 2 331.416 2.648 10 5 EFBELO C[C@H](C(=O)NC1CCCCC1)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153294914 293369360 /nfs/dbraw/zinc/36/93/60/293369360.db2.gz DPQNOPUZOPTDEH-CYBMUJFWSA-N 1 2 331.416 2.790 10 5 EFBELO C[C@H](C(=O)NC1CCCCC1)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153294914 293369361 /nfs/dbraw/zinc/36/93/61/293369361.db2.gz DPQNOPUZOPTDEH-CYBMUJFWSA-N 1 2 331.416 2.790 10 5 EFBELO C[C@@H](C(=O)N1CCC(C)CC1)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153355137 293372347 /nfs/dbraw/zinc/37/23/47/293372347.db2.gz KFJSOYGFUZAVGJ-AWEZNQCLSA-N 1 2 331.416 2.600 10 5 EFBELO C[C@@H](C(=O)N1CCC(C)CC1)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153355137 293372350 /nfs/dbraw/zinc/37/23/50/293372350.db2.gz KFJSOYGFUZAVGJ-AWEZNQCLSA-N 1 2 331.416 2.600 10 5 EFBELO Cc1nc(N2CCC[C@H]2c2[nH]c3c([nH+]2)CCCC3)ncc1[N+](=O)[O-] ZINC000294877108 295239954 /nfs/dbraw/zinc/23/99/54/295239954.db2.gz FGWPAMDECMTODU-ZDUSSCGKSA-N 1 2 328.376 2.637 10 5 EFBELO C[C@]1(F)CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000295597528 295346663 /nfs/dbraw/zinc/34/66/63/295346663.db2.gz OTZHKBNABYYPQS-INIZCTEOSA-N 1 2 332.335 2.745 10 5 EFBELO Cc1ccc[nH+]c1CCNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000295693188 295361734 /nfs/dbraw/zinc/36/17/34/295361734.db2.gz INMDMVAJZGYFPE-UHFFFAOYSA-N 1 2 340.383 2.845 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000296356343 295463300 /nfs/dbraw/zinc/46/33/00/295463300.db2.gz UNKQMILZHLAEEE-AWEZNQCLSA-N 1 2 328.372 2.860 10 5 EFBELO CC(C)(NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(F)(F)F ZINC000297619988 310914880 /nfs/dbraw/zinc/91/48/80/310914880.db2.gz AAXAVAOXBQAKEI-UHFFFAOYSA-N 1 2 342.277 2.851 10 5 EFBELO COC(=O)[C@@H](C)CNc1cc(C)[nH+]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301259032 311127385 /nfs/dbraw/zinc/12/73/85/311127385.db2.gz UNHZCVHSXTYMEZ-JTQLQIEISA-N 1 2 330.344 2.581 10 5 EFBELO Cc1cc(N2CCC[C@@H]([C@@H](C)O)C2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000301753873 311156841 /nfs/dbraw/zinc/15/68/41/311156841.db2.gz CCOGPUFCLYUQOC-UKRRQHHQSA-N 1 2 342.399 2.957 10 5 EFBELO O=[N+]([O-])c1cnc2ccc(NCCCc3[nH]c4ccccc4[nH+]3)nn21 ZINC000301996834 311170981 /nfs/dbraw/zinc/17/09/81/311170981.db2.gz OVRCOPMWTPIHBJ-UHFFFAOYSA-N 1 2 337.343 2.559 10 5 EFBELO C[C@@H](c1ccccc1Cl)[NH+]1CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000302158692 311181605 /nfs/dbraw/zinc/18/16/05/311181605.db2.gz NZNXJJSJFXYRIB-LBPRGKRZSA-N 1 2 347.806 2.921 10 5 EFBELO Cc1cc(NCC2(CCO)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000302426090 311189633 /nfs/dbraw/zinc/18/96/33/311189633.db2.gz KBKTYTNRIMIHOH-UHFFFAOYSA-N 1 2 328.372 2.935 10 5 EFBELO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000302835178 311203675 /nfs/dbraw/zinc/20/36/75/311203675.db2.gz UVCFXOKKDOKPLZ-UHFFFAOYSA-N 1 2 349.822 2.612 10 5 EFBELO CN(C)C(=O)c1ccccc1C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000417768143 312268504 /nfs/dbraw/zinc/26/85/04/312268504.db2.gz ABFYAAYKFIMCIW-UHFFFAOYSA-N 1 2 339.395 2.855 10 5 EFBELO CN(C)C(=O)c1ccccc1C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000417768143 312268506 /nfs/dbraw/zinc/26/85/06/312268506.db2.gz ABFYAAYKFIMCIW-UHFFFAOYSA-N 1 2 339.395 2.855 10 5 EFBELO Cc1cc(N2CC[C@@]23CCOC3)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000420638144 312377874 /nfs/dbraw/zinc/37/78/74/312377874.db2.gz JEKSFNFNQJASED-KRWDZBQOSA-N 1 2 326.356 2.729 10 5 EFBELO CCOC1(C)CN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000450578594 312712821 /nfs/dbraw/zinc/71/28/21/312712821.db2.gz HYRSTVIRLUMCFV-UHFFFAOYSA-N 1 2 328.372 2.975 10 5 EFBELO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(CC(F)F)CC1 ZINC000470184910 313130151 /nfs/dbraw/zinc/13/01/51/313130151.db2.gz IUTJCGCWCMAXDH-UKTHLTGXSA-N 1 2 325.359 2.881 10 5 EFBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(C(=O)NC(C)(C)C)CC1 ZINC000481109018 313286995 /nfs/dbraw/zinc/28/69/95/313286995.db2.gz DPVCPNHBNXRHCP-ZDUSSCGKSA-N 1 2 334.420 2.782 10 5 EFBELO O=[N+]([O-])c1cc2c(nc1N1CCN(c3cccc[nH+]3)CC1)CCCC2 ZINC000514724795 315557475 /nfs/dbraw/zinc/55/74/75/315557475.db2.gz SRJGSODTYHMIKS-UHFFFAOYSA-N 1 2 339.399 2.590 10 5 EFBELO COC(=O)c1cc(NCCCCn2cc[nH+]c2)cc(C)c1[N+](=O)[O-] ZINC000538706539 317703151 /nfs/dbraw/zinc/70/31/51/317703151.db2.gz HUBKZQMZZLLGQZ-UHFFFAOYSA-N 1 2 332.360 2.779 10 5 EFBELO CN(C(=O)c1ccc([N+](=O)[O-])cn1)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000548783028 318143499 /nfs/dbraw/zinc/14/34/99/318143499.db2.gz WAPFLZMWSBIUDY-OAHLLOKOSA-N 1 2 337.339 2.575 10 5 EFBELO Cc1c(C[N@H+](C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cnn1C ZINC000568717715 319310350 /nfs/dbraw/zinc/31/03/50/319310350.db2.gz YCDZFEHPVXJZPC-UHFFFAOYSA-N 1 2 341.371 2.924 10 5 EFBELO Cc1c(C[N@@H+](C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cnn1C ZINC000568717715 319310352 /nfs/dbraw/zinc/31/03/52/319310352.db2.gz YCDZFEHPVXJZPC-UHFFFAOYSA-N 1 2 341.371 2.924 10 5 EFBELO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3nc(C4CCCC4)no3)CC2)n1 ZINC000569543996 319389810 /nfs/dbraw/zinc/38/98/10/319389810.db2.gz OPIOKDMYABZCDH-UHFFFAOYSA-N 1 2 346.391 2.669 10 5 EFBELO Cc1csc([C@H](C)[NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)n1 ZINC000184203495 323358748 /nfs/dbraw/zinc/35/87/48/323358748.db2.gz OAFRQZWPPKWIKJ-NSHDSACASA-N 1 2 346.412 2.600 10 5 EFBELO CC1(C)C[NH+](CC(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000579490970 323970604 /nfs/dbraw/zinc/97/06/04/323970604.db2.gz NFHWWTLAFNNBBX-HNNXBMFYSA-N 1 2 335.429 2.511 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](CS(C)(=O)=O)c1ccccc1 ZINC000184947008 473281099 /nfs/dbraw/zinc/28/10/99/473281099.db2.gz JFPPECOXZWZMHS-KRWDZBQOSA-N 1 2 348.424 2.779 10 5 EFBELO COCc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000125232533 473378437 /nfs/dbraw/zinc/37/84/37/473378437.db2.gz FJQHDCRLGADJNT-OCCSQVGLSA-N 1 2 345.403 2.827 10 5 EFBELO CCn1cc([C@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3C)CCO2)cn1 ZINC000190746916 473382712 /nfs/dbraw/zinc/38/27/12/473382712.db2.gz QBTSTUBNUIWRJJ-QGZVFWFLSA-N 1 2 330.388 2.693 10 5 EFBELO CCn1cc([C@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3C)CCO2)cn1 ZINC000190746916 473382718 /nfs/dbraw/zinc/38/27/18/473382718.db2.gz QBTSTUBNUIWRJJ-QGZVFWFLSA-N 1 2 330.388 2.693 10 5 EFBELO COc1cc(C(=O)Nc2ccc3[nH+]ccn3c2)cc([N+](=O)[O-])c1C ZINC000616336133 479884151 /nfs/dbraw/zinc/88/41/51/479884151.db2.gz BYTJSPRBWYEAKS-UHFFFAOYSA-N 1 2 326.312 2.812 10 5 EFBELO Cc1ccc([N+](=O)[O-])cc1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000067053082 471986644 /nfs/dbraw/zinc/98/66/44/471986644.db2.gz HHFMEHYBCMRGBN-UHFFFAOYSA-N 1 2 340.383 2.697 10 5 EFBELO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC(OCC(C)C)CC1 ZINC000054323375 472076780 /nfs/dbraw/zinc/07/67/80/472076780.db2.gz RKSPOSMYNNPMPS-UHFFFAOYSA-N 1 2 349.431 2.979 10 5 EFBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(Cc2cscn2)CC1 ZINC000067712536 472078474 /nfs/dbraw/zinc/07/84/74/472078474.db2.gz UEXAXMNXMDJMTQ-ZDUSSCGKSA-N 1 2 332.429 2.930 10 5 EFBELO Cc1sc(C(=O)NCc2[nH+]ccn2CC(F)(F)F)cc1[N+](=O)[O-] ZINC000075710298 472185518 /nfs/dbraw/zinc/18/55/18/472185518.db2.gz MDWWGBLYNFADHZ-UHFFFAOYSA-N 1 2 348.306 2.654 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1C(=O)NCCCCNc1cccc[nH+]1 ZINC000068419739 472187124 /nfs/dbraw/zinc/18/71/24/472187124.db2.gz GZBAKOQUMRLIBW-UHFFFAOYSA-N 1 2 328.372 2.920 10 5 EFBELO Cc1ccc(CN(C)C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)o1 ZINC000032039868 472410978 /nfs/dbraw/zinc/41/09/78/472410978.db2.gz WMQXIHMAIANQJU-UHFFFAOYSA-N 1 2 340.339 2.954 10 5 EFBELO COc1ccc(C[N@H+](C)Cc2nc(-c3ccoc3)no2)cc1[N+](=O)[O-] ZINC000069977765 472479249 /nfs/dbraw/zinc/47/92/49/472479249.db2.gz ZSQQGRKIIHSARB-UHFFFAOYSA-N 1 2 344.327 2.878 10 5 EFBELO COc1ccc(C[N@@H+](C)Cc2nc(-c3ccoc3)no2)cc1[N+](=O)[O-] ZINC000069977765 472479257 /nfs/dbraw/zinc/47/92/57/472479257.db2.gz ZSQQGRKIIHSARB-UHFFFAOYSA-N 1 2 344.327 2.878 10 5 EFBELO O=C(CC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1)N1CCCC1 ZINC000077328675 472505356 /nfs/dbraw/zinc/50/53/56/472505356.db2.gz ATWZJZCWIVGCBC-UHFFFAOYSA-N 1 2 337.445 2.881 10 5 EFBELO O=C(NCCc1cn2ccccc2[nH+]1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000129951586 472574855 /nfs/dbraw/zinc/57/48/55/472574855.db2.gz HLZOIGFHXXNFQV-UHFFFAOYSA-N 1 2 349.350 2.696 10 5 EFBELO Cc1cc(C)n(C[C@@H]2C[N@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CCO2)n1 ZINC000105893427 472798831 /nfs/dbraw/zinc/79/88/31/472798831.db2.gz BYTKOEWJHRWSKC-YJBOKZPZSA-N 1 2 344.415 2.870 10 5 EFBELO Cc1cc(C)n(C[C@@H]2C[N@@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CCO2)n1 ZINC000105893427 472798836 /nfs/dbraw/zinc/79/88/36/472798836.db2.gz BYTKOEWJHRWSKC-YJBOKZPZSA-N 1 2 344.415 2.870 10 5 EFBELO Cc1cc(C)n(C[C@@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3C)CCO2)n1 ZINC000105893813 472799117 /nfs/dbraw/zinc/79/91/17/472799117.db2.gz HUPUWLIBTIMRIM-KRWDZBQOSA-N 1 2 344.415 2.618 10 5 EFBELO Cc1cc(C)n(C[C@@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3C)CCO2)n1 ZINC000105893813 472799125 /nfs/dbraw/zinc/79/91/25/472799125.db2.gz HUPUWLIBTIMRIM-KRWDZBQOSA-N 1 2 344.415 2.618 10 5 EFBELO NC(=O)c1ccc(NCc2cn3cc(Cl)ccc3[nH+]2)c([N+](=O)[O-])c1 ZINC000073770308 472872342 /nfs/dbraw/zinc/87/23/42/472872342.db2.gz VTVBVZWGJQABBC-UHFFFAOYSA-N 1 2 345.746 2.607 10 5 EFBELO C[C@@H](CNC(=O)c1cc2ccccc2c2cccnc12)[NH+]1CCOCC1 ZINC000049677661 472958420 /nfs/dbraw/zinc/95/84/20/472958420.db2.gz GSQPNHIKHUSBIY-HNNXBMFYSA-N 1 2 349.434 2.839 10 5 EFBELO C[C@H]1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000123221511 473112865 /nfs/dbraw/zinc/11/28/65/473112865.db2.gz BMFYUHRDKFJKAR-XHDPSFHLSA-N 1 2 332.335 2.654 10 5 EFBELO O=[N+]([O-])c1cnccc1NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000066796640 473154072 /nfs/dbraw/zinc/15/40/72/473154072.db2.gz NZWMPLNTRSAENL-CQSZACIVSA-N 1 2 334.401 2.537 10 5 EFBELO CC(C)c1nc([C@H]2CCC[N@@H+]2C[C@H](O)c2cccc([N+](=O)[O-])c2)no1 ZINC000137017259 473191670 /nfs/dbraw/zinc/19/16/70/473191670.db2.gz BHBRBUQZXZMAQN-CABCVRRESA-N 1 2 346.387 2.972 10 5 EFBELO CC(C)c1nc([C@H]2CCC[N@H+]2C[C@H](O)c2cccc([N+](=O)[O-])c2)no1 ZINC000137017259 473191674 /nfs/dbraw/zinc/19/16/74/473191674.db2.gz BHBRBUQZXZMAQN-CABCVRRESA-N 1 2 346.387 2.972 10 5 EFBELO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177735741 473426133 /nfs/dbraw/zinc/42/61/33/473426133.db2.gz CSILCZAQQWUECU-GFCCVEGCSA-N 1 2 334.763 2.750 10 5 EFBELO CSc1ccc(C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000177811283 473440045 /nfs/dbraw/zinc/44/00/45/473440045.db2.gz CMLKMKHVAKWHIN-CYBMUJFWSA-N 1 2 346.412 2.818 10 5 EFBELO O=C(C[N@@H+]1CCC[C@H]1c1ccco1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000116290953 473646637 /nfs/dbraw/zinc/64/66/37/473646637.db2.gz DJTBWYRILUPPHD-INIZCTEOSA-N 1 2 341.367 2.914 10 5 EFBELO O=C(C[N@H+]1CCC[C@H]1c1ccco1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000116290953 473646641 /nfs/dbraw/zinc/64/66/41/473646641.db2.gz DJTBWYRILUPPHD-INIZCTEOSA-N 1 2 341.367 2.914 10 5 EFBELO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000116288764 473647347 /nfs/dbraw/zinc/64/73/47/473647347.db2.gz KYZNCHFTRWMXPD-CQSZACIVSA-N 1 2 345.355 2.972 10 5 EFBELO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H]1c1ccco1 ZINC000116288764 473647352 /nfs/dbraw/zinc/64/73/52/473647352.db2.gz KYZNCHFTRWMXPD-CQSZACIVSA-N 1 2 345.355 2.972 10 5 EFBELO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccco2)c([N+](=O)[O-])c1 ZINC000116288635 473648048 /nfs/dbraw/zinc/64/80/48/473648048.db2.gz BHXMULVUPUGJGH-CQSZACIVSA-N 1 2 345.355 2.972 10 5 EFBELO COc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccco2)c([N+](=O)[O-])c1 ZINC000116288635 473648053 /nfs/dbraw/zinc/64/80/53/473648053.db2.gz BHXMULVUPUGJGH-CQSZACIVSA-N 1 2 345.355 2.972 10 5 EFBELO C[C@@H]([NH2+][C@@H](C)c1cn[nH]c1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000274012149 473703260 /nfs/dbraw/zinc/70/32/60/473703260.db2.gz KYKSBXXGPBJOCQ-VHSXEESVSA-N 1 2 328.332 2.780 10 5 EFBELO CCc1ccc([C@H]2COCC[N@@H+]2C[C@@H](O)c2cccc([N+](=O)[O-])c2)o1 ZINC000246334787 473831644 /nfs/dbraw/zinc/83/16/44/473831644.db2.gz TWRGTYSBUXEJCH-IAGOWNOFSA-N 1 2 346.383 2.857 10 5 EFBELO CCc1ccc([C@H]2COCC[N@H+]2C[C@@H](O)c2cccc([N+](=O)[O-])c2)o1 ZINC000246334787 473831656 /nfs/dbraw/zinc/83/16/56/473831656.db2.gz TWRGTYSBUXEJCH-IAGOWNOFSA-N 1 2 346.383 2.857 10 5 EFBELO CCc1ccc([C@@H]2COCC[N@@H+]2C[C@@H](O)c2cccc([N+](=O)[O-])c2)o1 ZINC000246334777 473831707 /nfs/dbraw/zinc/83/17/07/473831707.db2.gz TWRGTYSBUXEJCH-DLBZAZTESA-N 1 2 346.383 2.857 10 5 EFBELO CCc1ccc([C@@H]2COCC[N@H+]2C[C@@H](O)c2cccc([N+](=O)[O-])c2)o1 ZINC000246334777 473831713 /nfs/dbraw/zinc/83/17/13/473831713.db2.gz TWRGTYSBUXEJCH-DLBZAZTESA-N 1 2 346.383 2.857 10 5 EFBELO Cc1cc(N2CC[NH+](Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)n[nH]1 ZINC000187203524 473836667 /nfs/dbraw/zinc/83/66/67/473836667.db2.gz YEGMPQORATTXKC-UHFFFAOYSA-N 1 2 335.795 2.602 10 5 EFBELO CCc1ccc(C(=O)NCc2ccc[nH+]c2N(C)C)cc1[N+](=O)[O-] ZINC000174089216 473985015 /nfs/dbraw/zinc/98/50/15/473985015.db2.gz WKXXQMXXMKZHFF-UHFFFAOYSA-N 1 2 328.372 2.548 10 5 EFBELO O=[N+]([O-])c1cc(CN(CC[NH+]2CCOCC2)c2ccccc2)cs1 ZINC000174688076 474079998 /nfs/dbraw/zinc/07/99/98/474079998.db2.gz ILTVBGDLXCVXSJ-UHFFFAOYSA-N 1 2 347.440 2.995 10 5 EFBELO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1C(=O)N(CC)CC ZINC000175133301 474147023 /nfs/dbraw/zinc/14/70/23/474147023.db2.gz AYRYAPUHKXTQJI-MRXNPFEDSA-N 1 2 349.431 2.826 10 5 EFBELO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]1C(=O)N(CC)CC ZINC000175133301 474147030 /nfs/dbraw/zinc/14/70/30/474147030.db2.gz AYRYAPUHKXTQJI-MRXNPFEDSA-N 1 2 349.431 2.826 10 5 EFBELO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCCC[C@H]2c2nnc[nH]2)cc1 ZINC000182676519 474231339 /nfs/dbraw/zinc/23/13/39/474231339.db2.gz NCHGWSBRYFTEKQ-HNNXBMFYSA-N 1 2 331.376 2.709 10 5 EFBELO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCCC[C@H]2c2nnc[nH]2)cc1 ZINC000182676519 474231344 /nfs/dbraw/zinc/23/13/44/474231344.db2.gz NCHGWSBRYFTEKQ-HNNXBMFYSA-N 1 2 331.376 2.709 10 5 EFBELO O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000270973173 474347534 /nfs/dbraw/zinc/34/75/34/474347534.db2.gz UDTYVXBCQZQMOK-UHFFFAOYSA-N 1 2 334.763 2.991 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(Cc2ccccn2)CC1 ZINC000183245136 474358019 /nfs/dbraw/zinc/35/80/19/474358019.db2.gz NYMQERFWOGFVKM-UHFFFAOYSA-N 1 2 326.400 2.616 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1CN1CC[NH+](Cc2ccccn2)CC1 ZINC000183245136 474358027 /nfs/dbraw/zinc/35/80/27/474358027.db2.gz NYMQERFWOGFVKM-UHFFFAOYSA-N 1 2 326.400 2.616 10 5 EFBELO CC(C)c1nnc2n1CC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H]2C ZINC000189551377 474437619 /nfs/dbraw/zinc/43/76/19/474437619.db2.gz QXZMQMAYSCPUIL-ZDUSSCGKSA-N 1 2 329.404 2.929 10 5 EFBELO CC(C)c1nnc2n1CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H]2C ZINC000189551377 474437625 /nfs/dbraw/zinc/43/76/25/474437625.db2.gz QXZMQMAYSCPUIL-ZDUSSCGKSA-N 1 2 329.404 2.929 10 5 EFBELO CCn1cc([C@H]2C[N@@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)CCO2)cn1 ZINC000248803934 474441549 /nfs/dbraw/zinc/44/15/49/474441549.db2.gz QWJDQYDTNPHYLX-CXAGYDPISA-N 1 2 330.388 2.946 10 5 EFBELO CCn1cc([C@H]2C[N@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)CCO2)cn1 ZINC000248803934 474441555 /nfs/dbraw/zinc/44/15/55/474441555.db2.gz QWJDQYDTNPHYLX-CXAGYDPISA-N 1 2 330.388 2.946 10 5 EFBELO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000248820610 474446366 /nfs/dbraw/zinc/44/63/66/474446366.db2.gz JDCBCYCZDFXXNA-LFRZHZDQSA-N 1 2 330.384 2.882 10 5 EFBELO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000248820610 474446375 /nfs/dbraw/zinc/44/63/75/474446375.db2.gz JDCBCYCZDFXXNA-LFRZHZDQSA-N 1 2 330.384 2.882 10 5 EFBELO C[C@@H]1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1n1cc[nH+]c1 ZINC000278428544 474642006 /nfs/dbraw/zinc/64/20/06/474642006.db2.gz JECKEEQTXKYYAM-IAQYHMDHSA-N 1 2 326.360 2.755 10 5 EFBELO O=[N+]([O-])c1cnc2ccccc2c1N1CC[NH+](Cc2ccccn2)CC1 ZINC000291675154 474647115 /nfs/dbraw/zinc/64/71/15/474647115.db2.gz QMSFMGJYRLOBDG-UHFFFAOYSA-N 1 2 349.394 2.860 10 5 EFBELO C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1nnnn1-c1ccccc1 ZINC000340918215 474777180 /nfs/dbraw/zinc/77/71/80/474777180.db2.gz LVAIMSFASBRTEH-QWHCGFSZSA-N 1 2 338.371 2.982 10 5 EFBELO Cc1cc[nH+]cc1N1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000337221741 474796963 /nfs/dbraw/zinc/79/69/63/474796963.db2.gz MNCGYHURNGGGBQ-UHFFFAOYSA-N 1 2 341.371 2.652 10 5 EFBELO Cc1nc(N2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)cc[nH+]1 ZINC000273450317 474903225 /nfs/dbraw/zinc/90/32/25/474903225.db2.gz DGHSOWSRZALJBB-UHFFFAOYSA-N 1 2 333.779 2.673 10 5 EFBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](S(C)(=O)=O)CC1 ZINC000337534949 475104519 /nfs/dbraw/zinc/10/45/19/475104519.db2.gz XGJHZLLFNXWGQM-WFASDCNBSA-N 1 2 326.418 2.555 10 5 EFBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](S(C)(=O)=O)CC1 ZINC000337534949 475104527 /nfs/dbraw/zinc/10/45/27/475104527.db2.gz XGJHZLLFNXWGQM-WFASDCNBSA-N 1 2 326.418 2.555 10 5 EFBELO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CCOCC3(CC3)C2)c1 ZINC000341561589 475145818 /nfs/dbraw/zinc/14/58/18/475145818.db2.gz ISUWFEZBRHBQBN-UHFFFAOYSA-N 1 2 328.315 2.809 10 5 EFBELO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CCOCC3(CC3)C2)c1 ZINC000341561589 475145820 /nfs/dbraw/zinc/14/58/20/475145820.db2.gz ISUWFEZBRHBQBN-UHFFFAOYSA-N 1 2 328.315 2.809 10 5 EFBELO O=[N+]([O-])c1cnn(CC[N@@H+]2CCCC[C@@H]2c2nnc(C3CCC3)o2)c1 ZINC000287536670 475187502 /nfs/dbraw/zinc/18/75/02/475187502.db2.gz VSXRFDQQRBSQNF-CQSZACIVSA-N 1 2 346.391 2.669 10 5 EFBELO O=[N+]([O-])c1cnn(CC[N@H+]2CCCC[C@@H]2c2nnc(C3CCC3)o2)c1 ZINC000287536670 475187510 /nfs/dbraw/zinc/18/75/10/475187510.db2.gz VSXRFDQQRBSQNF-CQSZACIVSA-N 1 2 346.391 2.669 10 5 EFBELO C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc(Cc2c[nH+]cn2C)no1 ZINC000357955933 475291991 /nfs/dbraw/zinc/29/19/91/475291991.db2.gz YGXRSALRYRVHHB-YRNVUSSQSA-N 1 2 325.328 2.863 10 5 EFBELO COc1cc(C[NH+]2CCN(c3ncc(C)s3)CC2)ccc1[N+](=O)[O-] ZINC000352527313 475382147 /nfs/dbraw/zinc/38/21/47/475382147.db2.gz YWNVOYGIFRANPK-UHFFFAOYSA-N 1 2 348.428 2.691 10 5 EFBELO Cc1ccncc1C[N@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000361434951 475448435 /nfs/dbraw/zinc/44/84/35/475448435.db2.gz QKZQHJZSSKEJBN-UHFFFAOYSA-N 1 2 328.372 2.677 10 5 EFBELO Cc1ccncc1C[N@@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000361434951 475448439 /nfs/dbraw/zinc/44/84/39/475448439.db2.gz QKZQHJZSSKEJBN-UHFFFAOYSA-N 1 2 328.372 2.677 10 5 EFBELO C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000348228315 475505282 /nfs/dbraw/zinc/50/52/82/475505282.db2.gz KKDOVFOHOHTXEG-VHSXEESVSA-N 1 2 331.294 2.806 10 5 EFBELO C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000348228315 475505289 /nfs/dbraw/zinc/50/52/89/475505289.db2.gz KKDOVFOHOHTXEG-VHSXEESVSA-N 1 2 331.294 2.806 10 5 EFBELO C[NH+](C)CCc1ccccc1NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000355006836 475592727 /nfs/dbraw/zinc/59/27/27/475592727.db2.gz DJUHZMFYWMRKDS-UHFFFAOYSA-N 1 2 329.356 2.657 10 5 EFBELO NC(=O)c1cc([N+](=O)[O-])cnc1Nc1ccc([NH+]2CCCCC2)cc1 ZINC000298399748 476079630 /nfs/dbraw/zinc/07/96/30/476079630.db2.gz GIXKYZNYRGKKHU-UHFFFAOYSA-N 1 2 341.371 2.823 10 5 EFBELO O=[N+]([O-])c1ccc(-c2nc([C@@H]3C[N@@H+]4CCCC[C@@H]4CO3)no2)cc1 ZINC000350381674 476160983 /nfs/dbraw/zinc/16/09/83/476160983.db2.gz DZLCAPNYODFAMA-KGLIPLIRSA-N 1 2 330.344 2.571 10 5 EFBELO O=[N+]([O-])c1ccc(-c2nc([C@@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)cc1 ZINC000350381674 476160990 /nfs/dbraw/zinc/16/09/90/476160990.db2.gz DZLCAPNYODFAMA-KGLIPLIRSA-N 1 2 330.344 2.571 10 5 EFBELO Cc1cc(C)c([N+](=O)[O-])c(N2CC[NH+](Cc3cccc(O)c3)CC2)n1 ZINC000359083233 476174315 /nfs/dbraw/zinc/17/43/15/476174315.db2.gz NRCRAAZFHDCOSB-UHFFFAOYSA-N 1 2 342.399 2.634 10 5 EFBELO O=[N+]([O-])c1cnccc1N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000357036275 476176727 /nfs/dbraw/zinc/17/67/27/476176727.db2.gz GGJAPSUPASBBNF-UHFFFAOYSA-N 1 2 332.791 2.965 10 5 EFBELO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCSC[C@H]3CCO)co2)cc1 ZINC000340691267 476209210 /nfs/dbraw/zinc/20/92/10/476209210.db2.gz UTFAFACCCKOVIZ-OAHLLOKOSA-N 1 2 349.412 2.550 10 5 EFBELO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCSC[C@H]3CCO)co2)cc1 ZINC000340691267 476209217 /nfs/dbraw/zinc/20/92/17/476209217.db2.gz UTFAFACCCKOVIZ-OAHLLOKOSA-N 1 2 349.412 2.550 10 5 EFBELO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCc1ccc[nH+]c1N(C)C ZINC000357272230 476311523 /nfs/dbraw/zinc/31/15/23/476311523.db2.gz KODDCYDTODZFRE-UHFFFAOYSA-N 1 2 348.790 2.948 10 5 EFBELO O=[N+]([O-])c1ccc(-c2nc(C[C@@H]3CCCO3)no2)cc1-n1cc[nH+]c1 ZINC000351056738 476328016 /nfs/dbraw/zinc/32/80/16/476328016.db2.gz XOVQDOGXTGRMJR-LBPRGKRZSA-N 1 2 341.327 2.552 10 5 EFBELO O=[N+]([O-])c1ccc(-c2noc(Cc3cn4c([nH+]3)CCCC4)n2)s1 ZINC000351518046 476477753 /nfs/dbraw/zinc/47/77/53/476477753.db2.gz SNXKEDMAJKQILS-UHFFFAOYSA-N 1 2 331.357 2.830 10 5 EFBELO CC1(C)C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@]2(CCOC2)O1 ZINC000369863267 476560648 /nfs/dbraw/zinc/56/06/48/476560648.db2.gz LEZMSISONGOJGI-KRWDZBQOSA-N 1 2 347.371 2.506 10 5 EFBELO CC1(C)C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@]2(CCOC2)O1 ZINC000369863267 476560655 /nfs/dbraw/zinc/56/06/55/476560655.db2.gz LEZMSISONGOJGI-KRWDZBQOSA-N 1 2 347.371 2.506 10 5 EFBELO CO[C@H](C)c1noc(C[N@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])n1 ZINC000354305084 476574122 /nfs/dbraw/zinc/57/41/22/476574122.db2.gz QEAWMJCCYOGIJL-XYLWRLHESA-N 1 2 332.360 2.830 10 5 EFBELO CO[C@H](C)c1noc(C[N@@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])n1 ZINC000354305084 476574128 /nfs/dbraw/zinc/57/41/28/476574128.db2.gz QEAWMJCCYOGIJL-XYLWRLHESA-N 1 2 332.360 2.830 10 5 EFBELO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000377811210 476591622 /nfs/dbraw/zinc/59/16/22/476591622.db2.gz KHGOHZAFVPYVHT-LLVKDONJSA-N 1 2 329.360 2.614 10 5 EFBELO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000377811210 476591629 /nfs/dbraw/zinc/59/16/29/476591629.db2.gz KHGOHZAFVPYVHT-LLVKDONJSA-N 1 2 329.360 2.614 10 5 EFBELO COCc1cc([N+](=O)[O-])ccc1NCc1cccnc1-n1cc[nH+]c1 ZINC000378039087 476676814 /nfs/dbraw/zinc/67/68/14/476676814.db2.gz DCHQYTRIFSOLQC-UHFFFAOYSA-N 1 2 339.355 2.934 10 5 EFBELO 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Cc1cc(C(=O)C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c(C)n1C ZINC000535250128 478204018 /nfs/dbraw/zinc/20/40/18/478204018.db2.gz CFLOZOHBKMQCAH-UHFFFAOYSA-N 1 2 327.384 2.791 10 5 EFBELO CCC[C@@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)OCC ZINC000561847581 478205849 /nfs/dbraw/zinc/20/58/49/478205849.db2.gz QPUCKJQDTKIQIC-MRXNPFEDSA-N 1 2 333.388 2.940 10 5 EFBELO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CC2(C1)CC(F)(F)C2 ZINC000590682369 478288340 /nfs/dbraw/zinc/28/83/40/478288340.db2.gz LWXONJLTCAIBFW-UHFFFAOYSA-N 1 2 348.309 2.652 10 5 EFBELO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@]2(CCS(=O)(=O)C2)C1 ZINC000590759374 478323778 /nfs/dbraw/zinc/32/37/78/478323778.db2.gz RZZPFWNINHZVMW-CZUORRHYSA-N 1 2 338.429 2.557 10 5 EFBELO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@]2(CCS(=O)(=O)C2)C1 ZINC000590759374 478323786 /nfs/dbraw/zinc/32/37/86/478323786.db2.gz RZZPFWNINHZVMW-CZUORRHYSA-N 1 2 338.429 2.557 10 5 EFBELO Cc1cn2c([nH+]1)CN(C(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1)CC2 ZINC000591075203 478452918 /nfs/dbraw/zinc/45/29/18/478452918.db2.gz VOAZXMYXJOWORV-UHFFFAOYSA-N 1 2 344.371 2.543 10 5 EFBELO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCC(OCCCO)CC3)c2c1 ZINC000591149531 478475754 /nfs/dbraw/zinc/47/57/54/478475754.db2.gz CDAKKMWMWSBBDP-UHFFFAOYSA-N 1 2 331.372 2.511 10 5 EFBELO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000597728288 478482815 /nfs/dbraw/zinc/48/28/15/478482815.db2.gz SQSMWHLWKLQKTO-NSHDSACASA-N 1 2 343.387 2.882 10 5 EFBELO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000597728288 478482816 /nfs/dbraw/zinc/48/28/16/478482816.db2.gz SQSMWHLWKLQKTO-NSHDSACASA-N 1 2 343.387 2.882 10 5 EFBELO C[C@@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cscn1 ZINC000594710372 478507792 /nfs/dbraw/zinc/50/77/92/478507792.db2.gz IDIQRXSWDHWNBT-ZWNOBZJWSA-N 1 2 332.385 2.507 10 5 EFBELO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1c(C(F)(F)F)cnn1C ZINC000594923431 478586722 /nfs/dbraw/zinc/58/67/22/478586722.db2.gz 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Cc1ccc(CCNc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)[nH+]c1 ZINC000601172934 478705664 /nfs/dbraw/zinc/70/56/64/478705664.db2.gz LSHPZMULZCFFTM-UHFFFAOYSA-N 1 2 329.282 2.705 10 5 EFBELO C[C@]1(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1(F)F ZINC000598217670 478708938 /nfs/dbraw/zinc/70/89/38/478708938.db2.gz VWDWVVNMTCLAGT-CQSZACIVSA-N 1 2 336.298 2.556 10 5 EFBELO C[C@@H](CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)Cn1cc[nH+]c1 ZINC000601210174 478725574 /nfs/dbraw/zinc/72/55/74/478725574.db2.gz MPJHHVMOSBYPFD-AWEZNQCLSA-N 1 2 342.399 2.666 10 5 EFBELO CCc1nnc([C@@H](C)[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)[nH]1 ZINC000595330334 478735181 /nfs/dbraw/zinc/73/51/81/478735181.db2.gz JKOOCJVJYDWDQW-GFCCVEGCSA-N 1 2 345.403 2.880 10 5 EFBELO CC(=O)c1ccc2c(c1)CC[N@@H+](Cc1onc(C)c1[N+](=O)[O-])CC2 ZINC000595394395 478761459 /nfs/dbraw/zinc/76/14/59/478761459.db2.gz WRFHVLFQIMAJBX-UHFFFAOYSA-N 1 2 329.356 2.695 10 5 EFBELO CC(=O)c1ccc2c(c1)CC[N@H+](Cc1onc(C)c1[N+](=O)[O-])CC2 ZINC000595394395 478761467 /nfs/dbraw/zinc/76/14/67/478761467.db2.gz WRFHVLFQIMAJBX-UHFFFAOYSA-N 1 2 329.356 2.695 10 5 EFBELO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)c1nnc2n1CCCCC2 ZINC000595432783 478779618 /nfs/dbraw/zinc/77/96/18/478779618.db2.gz JLOMTCMACDPMSM-GFCCVEGCSA-N 1 2 345.403 2.772 10 5 EFBELO COC(=O)c1cccc2c1C[N@H+](Cc1cccc([N+](=O)[O-])c1)CC2 ZINC000592160925 478806480 /nfs/dbraw/zinc/80/64/80/478806480.db2.gz CXXOYJRDJXCOTC-UHFFFAOYSA-N 1 2 326.352 2.940 10 5 EFBELO COC(=O)c1cccc2c1C[N@@H+](Cc1cccc([N+](=O)[O-])c1)CC2 ZINC000592160925 478806483 /nfs/dbraw/zinc/80/64/83/478806483.db2.gz CXXOYJRDJXCOTC-UHFFFAOYSA-N 1 2 326.352 2.940 10 5 EFBELO C[C@@H]1C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@]2(CCO[C@H](C)C2)O1 ZINC000595476463 478807740 /nfs/dbraw/zinc/80/77/40/478807740.db2.gz RCUXYHITMOCIJE-PBFPGSCMSA-N 1 2 338.379 2.892 10 5 EFBELO C[C@@H]1C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@]2(CCO[C@H](C)C2)O1 ZINC000595476463 478807746 /nfs/dbraw/zinc/80/77/46/478807746.db2.gz RCUXYHITMOCIJE-PBFPGSCMSA-N 1 2 338.379 2.892 10 5 EFBELO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000545202831 478897952 /nfs/dbraw/zinc/89/79/52/478897952.db2.gz MIFONNJRNGBNMJ-LBPRGKRZSA-N 1 2 346.412 2.570 10 5 EFBELO COc1cc[nH+]cc1CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601598026 478899586 /nfs/dbraw/zinc/89/95/86/478899586.db2.gz DEZWJEBTTFYFLK-UHFFFAOYSA-N 1 2 341.367 2.737 10 5 EFBELO CC(C)(C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)c1c[nH]c[nH+]1 ZINC000598686152 478969578 /nfs/dbraw/zinc/96/95/78/478969578.db2.gz XLFWTLBKEGBUKX-UHFFFAOYSA-N 1 2 330.388 2.735 10 5 EFBELO C[C@H]1COC2(CCCC2)C[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000595815678 479013914 /nfs/dbraw/zinc/01/39/14/479013914.db2.gz QGZMPNZKMRGLAL-ZDUSSCGKSA-N 1 2 348.399 2.995 10 5 EFBELO C[C@H]1COC2(CCCC2)C[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000595815678 479013921 /nfs/dbraw/zinc/01/39/21/479013921.db2.gz QGZMPNZKMRGLAL-ZDUSSCGKSA-N 1 2 348.399 2.995 10 5 EFBELO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC(CC2CC2)C1 ZINC000598781791 479024059 /nfs/dbraw/zinc/02/40/59/479024059.db2.gz QJRZUTQEMMMBRP-UHFFFAOYSA-N 1 2 326.356 2.653 10 5 EFBELO Cn1cc(-c2cc(C[N@@H+]3CCc4c(cccc4[N+](=O)[O-])C3)on2)cn1 ZINC000546680950 479055745 /nfs/dbraw/zinc/05/57/45/479055745.db2.gz CLDDUCPOSJOSNR-UHFFFAOYSA-N 1 2 339.355 2.542 10 5 EFBELO Cn1cc(-c2cc(C[N@H+]3CCc4c(cccc4[N+](=O)[O-])C3)on2)cn1 ZINC000546680950 479055752 /nfs/dbraw/zinc/05/57/52/479055752.db2.gz CLDDUCPOSJOSNR-UHFFFAOYSA-N 1 2 339.355 2.542 10 5 EFBELO C[C@@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@](C)(C(F)F)O1 ZINC000595914506 479070066 /nfs/dbraw/zinc/07/00/66/479070066.db2.gz HQYZFRGVKVKLPH-IAQYHMDHSA-N 1 2 330.331 2.718 10 5 EFBELO C[C@@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@](C)(C(F)F)O1 ZINC000595914506 479070073 /nfs/dbraw/zinc/07/00/73/479070073.db2.gz HQYZFRGVKVKLPH-IAQYHMDHSA-N 1 2 330.331 2.718 10 5 EFBELO C[C@@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@](C)(C(F)F)O1 ZINC000595921668 479075461 /nfs/dbraw/zinc/07/54/61/479075461.db2.gz YKHHQQYVTUGEIC-IAQYHMDHSA-N 1 2 330.331 2.718 10 5 EFBELO C[C@@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])C[C@](C)(C(F)F)O1 ZINC000595921668 479075466 /nfs/dbraw/zinc/07/54/66/479075466.db2.gz YKHHQQYVTUGEIC-IAQYHMDHSA-N 1 2 330.331 2.718 10 5 EFBELO O=[N+]([O-])c1ccc(-c2nc(-c3cccc(Cn4cc[nH+]c4)c3)no2)nc1 ZINC000546984087 479083138 /nfs/dbraw/zinc/08/31/38/479083138.db2.gz QLGVDTUCUUSFDI-UHFFFAOYSA-N 1 2 348.322 2.952 10 5 EFBELO C[C@@H]([NH2+][C@H]1c2ccccc2CN(C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000598932933 479088734 /nfs/dbraw/zinc/08/87/34/479088734.db2.gz KMROEQNSMBRNJU-PXAZEXFGSA-N 1 2 325.368 2.959 10 5 EFBELO CN1Cc2ccccc2[C@@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1=O ZINC000598939491 479092418 /nfs/dbraw/zinc/09/24/18/479092418.db2.gz KDZMCGAKFZDCSP-SJLPKXTDSA-N 1 2 337.379 2.885 10 5 EFBELO Cc1cn2c([nH+]1)C[C@H](C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)CC2 ZINC000598960712 479102212 /nfs/dbraw/zinc/10/22/12/479102212.db2.gz FWJKQCHRSJDKTH-CYBMUJFWSA-N 1 2 328.372 2.918 10 5 EFBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](Cc2cccnc2)C2CC2)c1 ZINC000593017355 479126701 /nfs/dbraw/zinc/12/67/01/479126701.db2.gz CECAPPKIMRZAJP-UHFFFAOYSA-N 1 2 341.367 2.941 10 5 EFBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](Cc2cccnc2)C2CC2)c1 ZINC000593017355 479126709 /nfs/dbraw/zinc/12/67/09/479126709.db2.gz CECAPPKIMRZAJP-UHFFFAOYSA-N 1 2 341.367 2.941 10 5 EFBELO CS(=O)(=O)[C@@H]1CCC[C@@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599048318 479138434 /nfs/dbraw/zinc/13/84/34/479138434.db2.gz KJVFUPGKALTAFY-CHWSQXEVSA-N 1 2 349.412 2.911 10 5 EFBELO COCCOC[C@H]1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599051099 479139488 /nfs/dbraw/zinc/13/94/88/479139488.db2.gz FHBWVTFZVKKNDC-ZDUSSCGKSA-N 1 2 331.372 2.632 10 5 EFBELO COc1cc(NCC[N@@H+]2CCOCC2(C)C)c(Cl)cc1[N+](=O)[O-] ZINC000596110380 479143488 /nfs/dbraw/zinc/14/34/88/479143488.db2.gz MNZTXEPFGHTION-UHFFFAOYSA-N 1 2 343.811 2.780 10 5 EFBELO COc1cc(NCC[N@H+]2CCOCC2(C)C)c(Cl)cc1[N+](=O)[O-] ZINC000596110380 479143491 /nfs/dbraw/zinc/14/34/91/479143491.db2.gz MNZTXEPFGHTION-UHFFFAOYSA-N 1 2 343.811 2.780 10 5 EFBELO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000599062818 479143889 /nfs/dbraw/zinc/14/38/89/479143889.db2.gz UFSRHYVMITVNAU-HZPDHXFCSA-N 1 2 329.356 2.527 10 5 EFBELO O=[N+]([O-])c1c(N[C@@H]2CCO[C@@]3(CCOC3)C2)ccc2c[nH+]ccc21 ZINC000599063115 479144602 /nfs/dbraw/zinc/14/46/02/479144602.db2.gz WRSADEKBVDMNQW-DYVFJYSZSA-N 1 2 329.356 2.893 10 5 EFBELO CN(C)C(=O)CC1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599065364 479145898 /nfs/dbraw/zinc/14/58/98/479145898.db2.gz KMCFYVKUGLDACC-UHFFFAOYSA-N 1 2 342.399 2.838 10 5 EFBELO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCC(Cn2cncn2)CC1 ZINC000599068658 479148003 /nfs/dbraw/zinc/14/80/03/479148003.db2.gz BPRIAVFFXDFDKL-UHFFFAOYSA-N 1 2 338.371 2.651 10 5 EFBELO CC(=O)NCC[C@@H]1CCCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599086037 479155439 /nfs/dbraw/zinc/15/54/39/479155439.db2.gz XSYDRESFXAOPRD-AWEZNQCLSA-N 1 2 342.399 2.886 10 5 EFBELO C[C@@H]1C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C2(CCC2)CO1 ZINC000593092092 479169175 /nfs/dbraw/zinc/16/91/75/479169175.db2.gz MLOIQGJWYSTTCJ-GFCCVEGCSA-N 1 2 344.371 2.788 10 5 EFBELO C[C@@H]1C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C2(CCC2)CO1 ZINC000593092092 479169180 /nfs/dbraw/zinc/16/91/80/479169180.db2.gz MLOIQGJWYSTTCJ-GFCCVEGCSA-N 1 2 344.371 2.788 10 5 EFBELO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000593116268 479183490 /nfs/dbraw/zinc/18/34/90/479183490.db2.gz HACBPQUNVHRXID-AWEZNQCLSA-N 1 2 325.315 2.573 10 5 EFBELO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000593116268 479183497 /nfs/dbraw/zinc/18/34/97/479183497.db2.gz HACBPQUNVHRXID-AWEZNQCLSA-N 1 2 325.315 2.573 10 5 EFBELO CC(C)([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])C(=O)Nc1ccccc1 ZINC000610786758 479188078 /nfs/dbraw/zinc/18/80/78/479188078.db2.gz JQYGOFMTRBCQOL-UHFFFAOYSA-N 1 2 329.356 2.807 10 5 EFBELO Cc1ccc(C2CCN(c3ccc([N+](=O)[O-])c(C(N)=O)c3)CC2)c[nH+]1 ZINC000596189984 479189140 /nfs/dbraw/zinc/18/91/40/479189140.db2.gz NPYNGKQOINFCNI-UHFFFAOYSA-N 1 2 340.383 2.781 10 5 EFBELO C[N@@H+]1CCO[C@@H](CSc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000596284541 479238316 /nfs/dbraw/zinc/23/83/16/479238316.db2.gz AFOIMTDQURULFA-SECBINFHSA-N 1 2 347.234 2.780 10 5 EFBELO C[N@H+]1CCO[C@@H](CSc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000596284541 479238322 /nfs/dbraw/zinc/23/83/22/479238322.db2.gz AFOIMTDQURULFA-SECBINFHSA-N 1 2 347.234 2.780 10 5 EFBELO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@H](C(F)F)C2)c([N+](=O)[O-])c1 ZINC000611179597 479303929 /nfs/dbraw/zinc/30/39/29/479303929.db2.gz FQOYJMUOOYDSJI-JTQLQIEISA-N 1 2 343.330 2.519 10 5 EFBELO CCOc1ccc(NC(=O)C[N@H+]2CC[C@H](C(F)F)C2)c([N+](=O)[O-])c1 ZINC000611179597 479303934 /nfs/dbraw/zinc/30/39/34/479303934.db2.gz FQOYJMUOOYDSJI-JTQLQIEISA-N 1 2 343.330 2.519 10 5 EFBELO C[C@H](NC(=O)Cc1cn2c([nH+]1)CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000593410765 479329440 /nfs/dbraw/zinc/32/94/40/479329440.db2.gz DOVIAHLKVNPATC-LBPRGKRZSA-N 1 2 328.372 2.548 10 5 EFBELO CCOC(=O)CCC1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000611274962 479333833 /nfs/dbraw/zinc/33/38/33/479333833.db2.gz GSHLQHAKNJPAJR-UHFFFAOYSA-N 1 2 336.388 2.856 10 5 EFBELO COC(=O)C(C)(C)[C@@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000611531845 479407540 /nfs/dbraw/zinc/40/75/40/479407540.db2.gz DTYMKVJYDLSDPH-CYBMUJFWSA-N 1 2 336.388 2.712 10 5 EFBELO COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000611531845 479407547 /nfs/dbraw/zinc/40/75/47/479407547.db2.gz DTYMKVJYDLSDPH-CYBMUJFWSA-N 1 2 336.388 2.712 10 5 EFBELO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000611576833 479421375 /nfs/dbraw/zinc/42/13/75/479421375.db2.gz FMMPJFKDCPRYAJ-MFKMUULPSA-N 1 2 343.330 2.625 10 5 EFBELO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000611576833 479421380 /nfs/dbraw/zinc/42/13/80/479421380.db2.gz FMMPJFKDCPRYAJ-MFKMUULPSA-N 1 2 343.330 2.625 10 5 EFBELO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000611576834 479421899 /nfs/dbraw/zinc/42/18/99/479421899.db2.gz FMMPJFKDCPRYAJ-ZWNOBZJWSA-N 1 2 343.330 2.625 10 5 EFBELO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](OC(F)F)C1 ZINC000611576834 479421903 /nfs/dbraw/zinc/42/19/03/479421903.db2.gz FMMPJFKDCPRYAJ-ZWNOBZJWSA-N 1 2 343.330 2.625 10 5 EFBELO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000611576662 479422217 /nfs/dbraw/zinc/42/22/17/479422217.db2.gz CWLIBVHBTWOZCA-GWCFXTLKSA-N 1 2 343.330 2.625 10 5 EFBELO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000611576662 479422221 /nfs/dbraw/zinc/42/22/21/479422221.db2.gz CWLIBVHBTWOZCA-GWCFXTLKSA-N 1 2 343.330 2.625 10 5 EFBELO COCc1cc[nH+]c(NCc2cc(OC)c(OC)cc2[N+](=O)[O-])c1 ZINC000593696928 479426291 /nfs/dbraw/zinc/42/62/91/479426291.db2.gz IYVFOSZJBYTEFF-UHFFFAOYSA-N 1 2 333.344 2.766 10 5 EFBELO C[C@H]1CN(c2ccc(CNc3cccnc3[N+](=O)[O-])c[nH+]2)C[C@H](C)O1 ZINC000603858449 479440538 /nfs/dbraw/zinc/44/05/38/479440538.db2.gz CUJXYLGUAHGLLV-STQMWFEESA-N 1 2 343.387 2.611 10 5 EFBELO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000596891918 479475907 /nfs/dbraw/zinc/47/59/07/479475907.db2.gz XVUMZLDKNVHAOZ-SNVBAGLBSA-N 1 2 333.348 2.610 10 5 EFBELO C[C@@H](NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1[nH+]ccn1C ZINC000596930315 479491818 /nfs/dbraw/zinc/49/18/18/479491818.db2.gz BWLIZWCYKKYFJH-GFCCVEGCSA-N 1 2 343.387 2.764 10 5 EFBELO C[C@H](NC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1[nH+]ccn1C ZINC000596930285 479492139 /nfs/dbraw/zinc/49/21/39/479492139.db2.gz BANDZUXHPDMGLQ-LBPRGKRZSA-N 1 2 343.387 2.764 10 5 EFBELO CC[N@H+](Cc1ccccn1)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589498346 479534470 /nfs/dbraw/zinc/53/44/70/479534470.db2.gz ULLIEIFLEMNGKP-UHFFFAOYSA-N 1 2 329.356 2.799 10 5 EFBELO CC[N@@H+](Cc1ccccn1)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589498346 479534478 /nfs/dbraw/zinc/53/44/78/479534478.db2.gz ULLIEIFLEMNGKP-UHFFFAOYSA-N 1 2 329.356 2.799 10 5 EFBELO Cc1cc(C)c([N+](=O)[O-])c(N2CCN(c3c[nH+]ccc3C)CC2)n1 ZINC000576096039 479538287 /nfs/dbraw/zinc/53/82/87/479538287.db2.gz MMZYJEAUXGTQDJ-UHFFFAOYSA-N 1 2 327.388 2.637 10 5 EFBELO CC(C)(C(=O)N1CC(Oc2cc[nH+]cc2)C1)c1ccccc1[N+](=O)[O-] ZINC000590210583 479617589 /nfs/dbraw/zinc/61/75/89/479617589.db2.gz CHYBVRDGUJMXGB-UHFFFAOYSA-N 1 2 341.367 2.557 10 5 EFBELO CC[C@@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)c1cccc([N+](=O)[O-])c1 ZINC000590443984 479648547 /nfs/dbraw/zinc/64/85/47/479648547.db2.gz WKMCIMDAABDBRB-XJKSGUPXSA-N 1 2 328.372 2.621 10 5 EFBELO CNc1ccc(Nc2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)c[nH+]1 ZINC000590581123 479662595 /nfs/dbraw/zinc/66/25/95/479662595.db2.gz JYWZEMBZDCPOLF-UHFFFAOYSA-N 1 2 336.735 2.637 10 5 EFBELO C[C@@H](C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000612538926 479688866 /nfs/dbraw/zinc/68/88/66/479688866.db2.gz BEPACDPAIGHSQL-TZMCWYRMSA-N 1 2 346.362 2.898 10 5 EFBELO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CC(Oc2cc[nH+]cc2)C1 ZINC000609875856 480215712 /nfs/dbraw/zinc/21/57/12/480215712.db2.gz FNOYWSICJZVRBK-UHFFFAOYSA-N 1 2 333.731 2.547 10 5 EFBELO CCNc1ccc(C(=O)Nc2ccc3[nH+]ccn3c2)cc1[N+](=O)[O-] ZINC000609970747 480223999 /nfs/dbraw/zinc/22/39/99/480223999.db2.gz GIABIGCTVKTCKP-UHFFFAOYSA-N 1 2 325.328 2.927 10 5 EFBELO CCOC(=O)c1ccnc(NCc2[nH+]ccn2CC(C)C)c1[N+](=O)[O-] ZINC000078336761 521562512 /nfs/dbraw/zinc/56/25/12/521562512.db2.gz BFVOZOSKJFGGAQ-UHFFFAOYSA-N 1 2 347.375 2.631 10 5 EFBELO CCCn1cc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)cn1 ZINC000121350373 521651984 /nfs/dbraw/zinc/65/19/84/521651984.db2.gz YSXPEGSPUUHROK-UHFFFAOYSA-N 1 2 329.404 2.524 10 5 EFBELO C[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000068814931 523317333 /nfs/dbraw/zinc/31/73/33/523317333.db2.gz MHQMCWRLUKVIEM-QGZVFWFLSA-N 1 2 325.368 2.832 10 5 EFBELO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000068814931 523317337 /nfs/dbraw/zinc/31/73/37/523317337.db2.gz MHQMCWRLUKVIEM-QGZVFWFLSA-N 1 2 325.368 2.832 10 5 EFBELO Cc1cnn(C[C@H]2C[N@H+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)CCO2)c1 ZINC000245522935 526264861 /nfs/dbraw/zinc/26/48/61/526264861.db2.gz MJSSTBOVLBWFHN-NVXWUHKLSA-N 1 2 344.415 2.870 10 5 EFBELO Cc1cnn(C[C@H]2C[N@@H+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)CCO2)c1 ZINC000245522935 526264862 /nfs/dbraw/zinc/26/48/62/526264862.db2.gz MJSSTBOVLBWFHN-NVXWUHKLSA-N 1 2 344.415 2.870 10 5 EFBELO COc1cc(C[N@@H+]2CCO[C@H]3CCCC[C@H]32)c([N+](=O)[O-])cc1OC ZINC000245545315 536765723 /nfs/dbraw/zinc/76/57/23/536765723.db2.gz TWRNIKWCQCJHEI-HIFRSBDPSA-N 1 2 336.388 2.755 10 5 EFBELO COc1cc(C[N@H+]2CCO[C@H]3CCCC[C@H]32)c([N+](=O)[O-])cc1OC ZINC000245545315 536765730 /nfs/dbraw/zinc/76/57/30/536765730.db2.gz TWRNIKWCQCJHEI-HIFRSBDPSA-N 1 2 336.388 2.755 10 5 EFBELO COC(=O)c1conc1C(C)(C)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000425376262 536848791 /nfs/dbraw/zinc/84/87/91/536848791.db2.gz WJXRPJFNYHLLFW-SOFGYWHQSA-N 1 2 345.355 2.908 10 5 EFBELO O=[N+]([O-])c1cccc2ncnc(NCc3cccnc3-n3cc[nH+]c3)c21 ZINC000754006903 575374643 /nfs/dbraw/zinc/37/46/43/575374643.db2.gz CMDFOXKNBOUSJQ-UHFFFAOYSA-N 1 2 347.338 2.731 10 5 EFBELO O=[N+]([O-])c1cnc2c(c1)C[N@H+](C[C@@H](O)c1cccc(Cl)c1)CC2 ZINC000754218932 575407011 /nfs/dbraw/zinc/40/70/11/575407011.db2.gz OEPUJIOMOCOMRI-MRXNPFEDSA-N 1 2 333.775 2.735 10 5 EFBELO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](C[C@@H](O)c1cccc(Cl)c1)CC2 ZINC000754218932 575407013 /nfs/dbraw/zinc/40/70/13/575407013.db2.gz OEPUJIOMOCOMRI-MRXNPFEDSA-N 1 2 333.775 2.735 10 5 EFBELO O=C(C[N@@H+]1CC[C@H](C(F)F)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000761109215 576114824 /nfs/dbraw/zinc/11/48/24/576114824.db2.gz OMUOIWZNUAIGTQ-QMMMGPOBSA-N 1 2 333.722 2.774 10 5 EFBELO O=C(C[N@H+]1CC[C@H](C(F)F)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000761109215 576114825 /nfs/dbraw/zinc/11/48/25/576114825.db2.gz OMUOIWZNUAIGTQ-QMMMGPOBSA-N 1 2 333.722 2.774 10 5 EFBELO C[N@@H+](Cc1c(Br)cccc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000761227752 576132989 /nfs/dbraw/zinc/13/29/89/576132989.db2.gz BAHIFYKTNKVNSC-SNVBAGLBSA-N 1 2 329.194 2.968 10 5 EFBELO C[N@H+](Cc1c(Br)cccc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000761227752 576132991 /nfs/dbraw/zinc/13/29/91/576132991.db2.gz BAHIFYKTNKVNSC-SNVBAGLBSA-N 1 2 329.194 2.968 10 5 EFBELO Cc1ccncc1COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000762117196 576260271 /nfs/dbraw/zinc/26/02/71/576260271.db2.gz PTPLQAVHFSIMOP-UHFFFAOYSA-N 1 2 338.323 2.841 10 5 EFBELO O=[N+]([O-])c1ccc(Cc2noc(-c3ccc(-n4cc[nH+]c4)cc3)n2)nc1 ZINC000762323166 576289555 /nfs/dbraw/zinc/28/95/55/576289555.db2.gz GXSYZYBYYGVXKL-UHFFFAOYSA-N 1 2 348.322 2.816 10 5 EFBELO COc1cc(C[NH2+]Cc2nccc3c2CCCC3)c([N+](=O)[O-])cc1O ZINC000922467150 1266094551 /nfs/dbraw/zinc/09/45/51/1266094551.db2.gz QQXVLXXYKPUTEO-UHFFFAOYSA-N 1 2 343.383 2.873 10 5 EFBELO CC(C)c1cnc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)o1 ZINC000735875116 1267438754 /nfs/dbraw/zinc/43/87/54/1267438754.db2.gz YNUGVCHPGUURNS-LBPRGKRZSA-N 1 2 331.376 2.788 10 5 EFBELO CC(C)c1cnc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)o1 ZINC000735875116 1267438757 /nfs/dbraw/zinc/43/87/57/1267438757.db2.gz YNUGVCHPGUURNS-LBPRGKRZSA-N 1 2 331.376 2.788 10 5 EFBELO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@@H]2CC3(CC[C@@H]21)OCCO3 ZINC000825030007 1278389056 /nfs/dbraw/zinc/38/90/56/1278389056.db2.gz BJXUWPMWRVQKKR-CJNGLKHVSA-N 1 2 348.399 2.808 10 5 EFBELO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@@H]2CC3(CC[C@@H]21)OCCO3 ZINC000825030007 1278389070 /nfs/dbraw/zinc/38/90/70/1278389070.db2.gz BJXUWPMWRVQKKR-CJNGLKHVSA-N 1 2 348.399 2.808 10 5 EFBELO CN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)c1ccc(F)cn1 ZINC001129018027 1273074700 /nfs/dbraw/zinc/07/47/00/1273074700.db2.gz JIOLTUIYPAJORZ-UHFFFAOYSA-N 1 2 341.302 2.591 10 5 EFBELO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC000788274249 1276125503 /nfs/dbraw/zinc/12/55/03/1276125503.db2.gz KTDHCUDHFWQNNQ-UHFFFAOYSA-N 1 2 336.779 2.908 10 5 EFBELO CC[C@H](C(=O)OC(C)(C)C)[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000844473201 1279029031 /nfs/dbraw/zinc/02/90/31/1279029031.db2.gz HIXFPCBIYJMSHM-CABCVRRESA-N 1 2 338.404 2.680 10 5 EFBELO CC[C@H](C(=O)OC(C)(C)C)[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000844473201 1279029038 /nfs/dbraw/zinc/02/90/38/1279029038.db2.gz HIXFPCBIYJMSHM-CABCVRRESA-N 1 2 338.404 2.680 10 5 EFBELO COc1cc(C(=O)Nc2ccn3cc[nH+]c3c2)c([N+](=O)[O-])cc1F ZINC001129594559 1280280216 /nfs/dbraw/zinc/28/02/16/1280280216.db2.gz SKOMNMARHWKBMJ-UHFFFAOYSA-N 1 2 330.275 2.643 10 5 EFBELO O=C(Nc1ccn2cc[nH+]c2c1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001129594847 1280281099 /nfs/dbraw/zinc/28/10/99/1280281099.db2.gz XHFBAWWBPZLOAX-UHFFFAOYSA-N 1 2 332.266 2.973 10 5 EFBELO C[C@@H]([NH2+]CC(=O)NCCc1ccccc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872054858 1287413286 /nfs/dbraw/zinc/41/32/86/1287413286.db2.gz CNEQLMJBYRRQKE-CYBMUJFWSA-N 1 2 345.374 2.743 10 5 EFBELO C[C@H](c1ccc([N+](=O)[O-])cc1)[N@@H+]1CCO[C@H]([C@@H]2COC(C)(C)O2)C1 ZINC000872098152 1287427879 /nfs/dbraw/zinc/42/78/79/1287427879.db2.gz BIJRZUXIIDVEPV-KCXAZCMYSA-N 1 2 336.388 2.508 10 5 EFBELO C[C@H](c1ccc([N+](=O)[O-])cc1)[N@H+]1CCO[C@H]([C@@H]2COC(C)(C)O2)C1 ZINC000872098152 1287427885 /nfs/dbraw/zinc/42/78/85/1287427885.db2.gz BIJRZUXIIDVEPV-KCXAZCMYSA-N 1 2 336.388 2.508 10 5 EFBELO Cn1ccnc1[C@@H]([NH2+]C[C@H]1CC(C)(C)CO1)c1ccc([N+](=O)[O-])cc1 ZINC000872106473 1287430661 /nfs/dbraw/zinc/43/06/61/1287430661.db2.gz QVAWLKNQLIMUKR-CVEARBPZSA-N 1 2 344.415 2.822 10 5 EFBELO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCCC[C@H]2c2ncccn2)c1 ZINC001175845936 1287561099 /nfs/dbraw/zinc/56/10/99/1287561099.db2.gz SQLGQURCYKTWLF-INIZCTEOSA-N 1 2 328.372 2.991 10 5 EFBELO O=[N+]([O-])c1cccc(OCC[N@H+]2CCCC[C@H]2c2ncccn2)c1 ZINC001175845936 1287561104 /nfs/dbraw/zinc/56/11/04/1287561104.db2.gz SQLGQURCYKTWLF-INIZCTEOSA-N 1 2 328.372 2.991 10 5 EFBELO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809942176 1282634454 /nfs/dbraw/zinc/63/44/54/1282634454.db2.gz FQDUJOXHBVUZEY-BDAKNGLRSA-N 1 2 346.214 2.987 10 5 EFBELO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809942176 1282634467 /nfs/dbraw/zinc/63/44/67/1282634467.db2.gz FQDUJOXHBVUZEY-BDAKNGLRSA-N 1 2 346.214 2.987 10 5 EFBELO C[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1nnnn1-c1ccccc1 ZINC001176030113 1287663773 /nfs/dbraw/zinc/66/37/73/1287663773.db2.gz YQZBRJDVBCYYTM-CHWSQXEVSA-N 1 2 338.371 2.982 10 5 EFBELO CC[C@@H](SC)C(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813172414 1285703689 /nfs/dbraw/zinc/70/36/89/1285703689.db2.gz HGRYLUCHPTVJLR-LSDHHAIUSA-N 1 2 338.429 2.854 10 5 EFBELO CC[C@@H](SC)C(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813172414 1285703694 /nfs/dbraw/zinc/70/36/94/1285703694.db2.gz HGRYLUCHPTVJLR-LSDHHAIUSA-N 1 2 338.429 2.854 10 5 EFBELO O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001136581252 1288953501 /nfs/dbraw/zinc/95/35/01/1288953501.db2.gz OXCBBRVZIBTZOH-JTQLQIEISA-N 1 2 334.763 2.991 10 5 EFBELO Cc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)c(N)c1[N+](=O)[O-] ZINC001179875421 1289301198 /nfs/dbraw/zinc/30/11/98/1289301198.db2.gz VEMGTTDYZFFNGX-UHFFFAOYSA-N 1 2 337.339 2.923 10 5 EFBELO O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000825726992 1290262368 /nfs/dbraw/zinc/26/23/68/1290262368.db2.gz DZHGPLOZEOVVLU-GFCCVEGCSA-N 1 2 334.763 2.922 10 5 EFBELO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2C[C@@H](CO)[C@H](C(F)(F)F)C2)c1 ZINC000877694052 1291331794 /nfs/dbraw/zinc/33/17/94/1291331794.db2.gz YEPYXAKZGZNDDH-GXSJLCMTSA-N 1 2 338.713 2.851 10 5 EFBELO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2C[C@@H](CO)[C@H](C(F)(F)F)C2)c1 ZINC000877694052 1291331803 /nfs/dbraw/zinc/33/18/03/1291331803.db2.gz YEPYXAKZGZNDDH-GXSJLCMTSA-N 1 2 338.713 2.851 10 5 EFBELO CC[C@H]([NH2+][C@@H](C)c1nc(-c2nc[nH]n2)no1)c1cccc([N+](=O)[O-])c1 ZINC001192801192 1293052547 /nfs/dbraw/zinc/05/25/47/1293052547.db2.gz DVKXTALPXWUEKB-CABZTGNLSA-N 1 2 343.347 2.565 10 5 EFBELO C[C@@](CO)([NH2+]Cc1csc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC001196909217 1294411217 /nfs/dbraw/zinc/41/12/17/1294411217.db2.gz UELBZHAYSFVGRD-AWEZNQCLSA-N 1 2 337.357 2.562 10 5 EFBELO O=C(NC[C@]12C[C@H]1CCC2)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000886005804 1294616492 /nfs/dbraw/zinc/61/64/92/1294616492.db2.gz AIUHRAHHTLZBPV-DYVFJYSZSA-N 1 2 326.356 2.701 10 5 EFBELO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCO[C@H](c3cccs3)C2)cc1 ZINC000776585986 1299648577 /nfs/dbraw/zinc/64/85/77/1299648577.db2.gz GLRXHNBAJWTKDF-CABCVRRESA-N 1 2 334.397 2.763 10 5 EFBELO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCO[C@H](c3cccs3)C2)cc1 ZINC000776585986 1299648587 /nfs/dbraw/zinc/64/85/87/1299648587.db2.gz GLRXHNBAJWTKDF-CABCVRRESA-N 1 2 334.397 2.763 10 5 EFBELO Cc1nn(C[N@H+]2CC3(CCC3)OC[C@H]2C)c2ccc([N+](=O)[O-])cc12 ZINC000853541874 1300157781 /nfs/dbraw/zinc/15/77/81/1300157781.db2.gz VAGBDNVOYIUWDM-GFCCVEGCSA-N 1 2 330.388 2.854 10 5 EFBELO Cc1nn(C[N@@H+]2CC3(CCC3)OC[C@H]2C)c2ccc([N+](=O)[O-])cc12 ZINC000853541874 1300157785 /nfs/dbraw/zinc/15/77/85/1300157785.db2.gz VAGBDNVOYIUWDM-GFCCVEGCSA-N 1 2 330.388 2.854 10 5 EFBELO C[C@H]1COC2(CCCC2)C[N@@H+]1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000853576773 1300174947 /nfs/dbraw/zinc/17/49/47/1300174947.db2.gz FOTRYXZKHYEZQC-ZDUSSCGKSA-N 1 2 330.388 2.936 10 5 EFBELO C[C@H]1COC2(CCCC2)C[N@H+]1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000853576773 1300174954 /nfs/dbraw/zinc/17/49/54/1300174954.db2.gz FOTRYXZKHYEZQC-ZDUSSCGKSA-N 1 2 330.388 2.936 10 5 EFBELO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CN1C[C@@H](C(F)F)CC1=O ZINC000795417996 1301217453 /nfs/dbraw/zinc/21/74/53/1301217453.db2.gz RMWXTEVDIMMHBL-ZDUSSCGKSA-N 1 2 341.358 2.876 10 5 EFBELO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)CN1C[C@@H](C(F)F)CC1=O ZINC000795417996 1301217467 /nfs/dbraw/zinc/21/74/67/1301217467.db2.gz RMWXTEVDIMMHBL-ZDUSSCGKSA-N 1 2 341.358 2.876 10 5 EFBELO O=[N+]([O-])c1cnc(N[C@@H]2CCC[N@H+](CCF)C2)c(C(F)(F)F)c1 ZINC000865928043 1303457727 /nfs/dbraw/zinc/45/77/27/1303457727.db2.gz OTPPFBZKIBLYCO-SECBINFHSA-N 1 2 336.289 2.854 10 5 EFBELO O=[N+]([O-])c1cnc(N[C@@H]2CCC[N@@H+](CCF)C2)c(C(F)(F)F)c1 ZINC000865928043 1303457730 /nfs/dbraw/zinc/45/77/30/1303457730.db2.gz OTPPFBZKIBLYCO-SECBINFHSA-N 1 2 336.289 2.854 10 5 EFBELO O=C(OCCCn1cc[nH+]c1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000869810510 1304981716 /nfs/dbraw/zinc/98/17/16/1304981716.db2.gz IFPBGYBZLABOAT-UHFFFAOYSA-N 1 2 329.356 2.847 10 5 EFBELO O=C(NCC[C@H]1CCCS1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000871028120 1305752736 /nfs/dbraw/zinc/75/27/36/1305752736.db2.gz XGMWOOMNPOJARI-CYBMUJFWSA-N 1 2 346.412 2.796 10 5 EFBELO Cc1ccc(C[NH2+][C@H](C(=O)N(C)C)c2ccccc2)cc1[N+](=O)[O-] ZINC000748820161 1314137067 /nfs/dbraw/zinc/13/70/67/1314137067.db2.gz GGIXJSSFSMCXED-KRWDZBQOSA-N 1 2 327.384 2.822 10 5 EFBELO O=[N+]([O-])c1cc(-c2cc([C@H]3COCC[NH2+]3)on2)ccc1N1CCCC1 ZINC000901397684 1310337840 /nfs/dbraw/zinc/33/78/40/1310337840.db2.gz DDFJISADOFSZGG-CQSZACIVSA-N 1 2 344.371 2.511 10 5 EFBELO CSc1ccc(C(=O)O[C@H]2CC[N@H+](CCF)C2)cc1[N+](=O)[O-] ZINC000802240361 1311498062 /nfs/dbraw/zinc/49/80/62/1311498062.db2.gz XPUIHCNTCJMYQO-NSHDSACASA-N 1 2 328.365 2.517 10 5 EFBELO CSc1ccc(C(=O)O[C@H]2CC[N@@H+](CCF)C2)cc1[N+](=O)[O-] ZINC000802240361 1311498065 /nfs/dbraw/zinc/49/80/65/1311498065.db2.gz XPUIHCNTCJMYQO-NSHDSACASA-N 1 2 328.365 2.517 10 5 EFBELO Cc1cccc(C[N@@H+]2CCO[C@@H](CNc3ncccc3[N+](=O)[O-])C2)c1 ZINC001163938809 1312411093 /nfs/dbraw/zinc/41/10/93/1312411093.db2.gz OTQNKGCYBPRXHI-INIZCTEOSA-N 1 2 342.399 2.611 10 5 EFBELO Cc1cccc(C[N@H+]2CCO[C@@H](CNc3ncccc3[N+](=O)[O-])C2)c1 ZINC001163938809 1312411096 /nfs/dbraw/zinc/41/10/96/1312411096.db2.gz OTQNKGCYBPRXHI-INIZCTEOSA-N 1 2 342.399 2.611 10 5 EFBELO O=C(Nc1ccc(O)cc1F)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001295478529 1322708379 /nfs/dbraw/zinc/70/83/79/1322708379.db2.gz FZJAEWCCEROORF-UHFFFAOYSA-N 1 2 342.286 2.878 10 5 EFBELO Cc1c[nH+]c2cc(C(=O)Nc3n[nH]c4ccc([N+](=O)[O-])cc43)ccn12 ZINC001295987724 1322836677 /nfs/dbraw/zinc/83/66/77/1322836677.db2.gz CFSQFNHCPMIMCO-UHFFFAOYSA-N 1 2 336.311 2.680 10 5 EFBELO CCCCCCN(CC[NH+]1CCOCC1)c1ccc([N+](=O)[O-])nc1 ZINC001306986736 1324737074 /nfs/dbraw/zinc/73/70/74/1324737074.db2.gz QPJMKDUMUZKPSY-UHFFFAOYSA-N 1 2 336.436 2.709 10 5 EFBELO Cc1cc(N2CC[NH+](Cc3ccc(O)cc3)CC2)c([N+](=O)[O-])s1 ZINC001307190753 1324748473 /nfs/dbraw/zinc/74/84/73/1324748473.db2.gz BJYXLEOUKUHYSE-UHFFFAOYSA-N 1 2 333.413 2.993 10 5 EFBELO CNc1cc(CNc2ncc(Br)cc2[N+](=O)[O-])cc[nH+]1 ZINC001307214536 1324751593 /nfs/dbraw/zinc/75/15/93/1324751593.db2.gz IZEYSHFLDLPAIT-UHFFFAOYSA-N 1 2 338.165 2.801 10 5 EFBELO C[N@@H+]1CC[C@H]1CNc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC001307214638 1324751814 /nfs/dbraw/zinc/75/18/14/1324751814.db2.gz OBQRGQRVDSVBOX-HNNXBMFYSA-N 1 2 325.368 2.942 10 5 EFBELO C[N@H+]1CC[C@H]1CNc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC001307214638 1324751817 /nfs/dbraw/zinc/75/18/17/1324751817.db2.gz OBQRGQRVDSVBOX-HNNXBMFYSA-N 1 2 325.368 2.942 10 5 EFBELO CC[N@H+](CCNC(=O)C1(C)CCC1)Cc1csc([N+](=O)[O-])c1 ZINC001317483645 1328065258 /nfs/dbraw/zinc/06/52/58/1328065258.db2.gz GECXLSQZWHTBOX-UHFFFAOYSA-N 1 2 325.434 2.785 10 5 EFBELO CC[N@@H+](CCNC(=O)C1(C)CCC1)Cc1csc([N+](=O)[O-])c1 ZINC001317483645 1328065265 /nfs/dbraw/zinc/06/52/65/1328065265.db2.gz GECXLSQZWHTBOX-UHFFFAOYSA-N 1 2 325.434 2.785 10 5 EFBELO O=C(NC1CC2(CC2(F)F)C1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001328809120 1330635903 /nfs/dbraw/zinc/63/59/03/1330635903.db2.gz ACKBDMGEEKYKCD-UHFFFAOYSA-N 1 2 348.309 2.698 10 5 EFBELO O=[N+]([O-])c1ccccc1-c1cnn(C[N@@H+]2CC[C@H](OC(F)F)C2)c1 ZINC000848487192 1334743187 /nfs/dbraw/zinc/74/31/87/1334743187.db2.gz PEURGYKDMBNRAL-LBPRGKRZSA-N 1 2 338.314 2.729 10 5 EFBELO O=[N+]([O-])c1ccccc1-c1cnn(C[N@H+]2CC[C@H](OC(F)F)C2)c1 ZINC000848487192 1334743190 /nfs/dbraw/zinc/74/31/90/1334743190.db2.gz PEURGYKDMBNRAL-LBPRGKRZSA-N 1 2 338.314 2.729 10 5 EFBELO O=[N+]([O-])c1ccnn1C[NH+]1CCC(c2ccc3cccnc3n2)CC1 ZINC000848495591 1334752490 /nfs/dbraw/zinc/75/24/90/1334752490.db2.gz LOCWWHLGDUXTBI-UHFFFAOYSA-N 1 2 338.371 2.572 10 5 EFBELO C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC001438578968 1388679313 /nfs/dbraw/zinc/67/93/13/1388679313.db2.gz WSMJWGKSCBVPEJ-OAHLLOKOSA-N 1 2 329.331 2.650 10 5 EFBELO C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC001438578968 1388679317 /nfs/dbraw/zinc/67/93/17/1388679317.db2.gz WSMJWGKSCBVPEJ-OAHLLOKOSA-N 1 2 329.331 2.650 10 5 EFBELO Cc1cc(C(=O)NCCCN(C)c2cccc[nH+]2)cc([N+](=O)[O-])c1 ZINC001455151334 1394567404 /nfs/dbraw/zinc/56/74/04/1394567404.db2.gz BPNUCMJODDZOBC-UHFFFAOYSA-N 1 2 328.372 2.555 10 5 EFBELO CC(C)c1[nH]cc(CNC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC001456341128 1394670990 /nfs/dbraw/zinc/67/09/90/1394670990.db2.gz KUOGXFFSCJSDSO-LSDHHAIUSA-N 1 2 328.372 2.861 10 5 EFBELO CC(C)c1[nH]c(CNC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)c[nH+]1 ZINC001456341128 1394670994 /nfs/dbraw/zinc/67/09/94/1394670994.db2.gz KUOGXFFSCJSDSO-LSDHHAIUSA-N 1 2 328.372 2.861 10 5 EFBELO C[C@H]1C[N@H+](CCNc2cc(C(F)(F)F)ccc2[N+](=O)[O-])CCO1 ZINC001458156142 1395416111 /nfs/dbraw/zinc/41/61/11/1395416111.db2.gz SYKOPPCEIWEOIA-JTQLQIEISA-N 1 2 333.310 2.746 10 5 EFBELO C[C@H]1C[N@@H+](CCNc2cc(C(F)(F)F)ccc2[N+](=O)[O-])CCO1 ZINC001458156142 1395416118 /nfs/dbraw/zinc/41/61/18/1395416118.db2.gz SYKOPPCEIWEOIA-JTQLQIEISA-N 1 2 333.310 2.746 10 5 EFBELO O=[N+]([O-])c1cnc2ccc(F)cc2c1NCc1[nH]c2c([nH+]1)CCCC2 ZINC001458644451 1395536544 /nfs/dbraw/zinc/53/65/44/1395536544.db2.gz QXZFAMDXTBLIRI-UHFFFAOYSA-N 1 2 341.346 2.918 10 5 EFBELO Cc1cc([N+](=O)[O-])c(F)c(C(=O)NCc2ccn3cc[nH+]c3c2)c1F ZINC001465976060 1396727384 /nfs/dbraw/zinc/72/73/84/1396727384.db2.gz HFXUFIPKFKVRKU-UHFFFAOYSA-N 1 2 346.293 2.759 10 5 EFBELO CN(CCCNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)c1cccc[nH+]1 ZINC001471491585 1397176534 /nfs/dbraw/zinc/17/65/34/1397176534.db2.gz XFZNKEPSQDNFGA-FLIBITNWSA-N 1 2 340.383 2.646 10 5 EFBELO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCCCN(C)c1cccc[nH+]1 ZINC001471494871 1397177617 /nfs/dbraw/zinc/17/76/17/1397177617.db2.gz PKWMBBSMRDUENU-UHFFFAOYSA-N 1 2 346.362 2.694 10 5 EFBELO CC(C)c1[nH]cc(CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[nH+]1 ZINC001472094840 1397246502 /nfs/dbraw/zinc/24/65/02/1397246502.db2.gz MEHUJSHAABZOIU-UHFFFAOYSA-N 1 2 327.344 2.853 10 5 EFBELO CC(C)c1[nH]c(CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)c[nH+]1 ZINC001472094840 1397246505 /nfs/dbraw/zinc/24/65/05/1397246505.db2.gz MEHUJSHAABZOIU-UHFFFAOYSA-N 1 2 327.344 2.853 10 5 EFBELO CC1(C)C[C@@H](O)C[N@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC001473722179 1397324766 /nfs/dbraw/zinc/32/47/66/1397324766.db2.gz MDKKMLFSQSOTKV-GFCCVEGCSA-N 1 2 343.221 2.950 10 5 EFBELO CC1(C)C[C@@H](O)C[N@@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC001473722179 1397324770 /nfs/dbraw/zinc/32/47/70/1397324770.db2.gz MDKKMLFSQSOTKV-GFCCVEGCSA-N 1 2 343.221 2.950 10 5 EFBELO CC1(NC(=O)CC2CC2)CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001499962385 1402871540 /nfs/dbraw/zinc/87/15/40/1402871540.db2.gz OXQMIZZSZSTWFS-UHFFFAOYSA-N 1 2 337.445 2.927 10 5 EFBELO Cc1nc(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)oc1C ZINC001557552521 1415131255 /nfs/dbraw/zinc/13/12/55/1415131255.db2.gz FJUOXICECCXNSP-UHFFFAOYSA-N 1 2 327.300 2.638 10 5 EFBELO O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccc2[nH+]ccn2c1 ZINC001557620456 1415134287 /nfs/dbraw/zinc/13/42/87/1415134287.db2.gz WVROJMHCVSCINL-UHFFFAOYSA-N 1 2 338.323 2.844 10 5 EFBELO C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC001557983159 1415153994 /nfs/dbraw/zinc/15/39/94/1415153994.db2.gz ZMQPFKOZARBVKF-INIZCTEOSA-N 1 2 329.331 2.650 10 5 EFBELO C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC001557983159 1415153998 /nfs/dbraw/zinc/15/39/98/1415153998.db2.gz ZMQPFKOZARBVKF-INIZCTEOSA-N 1 2 329.331 2.650 10 5 EFBELO C[C@@H](C(=O)NCCCN(C)c1cccc[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC001558090413 1415159623 /nfs/dbraw/zinc/15/96/23/1415159623.db2.gz AUETXFRYTIGEOK-CQSZACIVSA-N 1 2 342.399 2.736 10 5 EFBELO CCc1ccc(C[NH+]2CCN(c3ncc([N+](=O)[O-])s3)CC2)cc1 ZINC001559267580 1415235111 /nfs/dbraw/zinc/23/51/11/1415235111.db2.gz WSJIEJANBLAASZ-UHFFFAOYSA-N 1 2 332.429 2.936 10 5 EFBELO CC[C@@H]1COCC[N@@H+]1CCNc1nc2ccccc2cc1[N+](=O)[O-] ZINC001559272824 1415235437 /nfs/dbraw/zinc/23/54/37/1415235437.db2.gz NZGWNNOHCXWRIH-CQSZACIVSA-N 1 2 330.388 2.666 10 5 EFBELO CC[C@@H]1COCC[N@H+]1CCNc1nc2ccccc2cc1[N+](=O)[O-] ZINC001559272824 1415235443 /nfs/dbraw/zinc/23/54/43/1415235443.db2.gz NZGWNNOHCXWRIH-CQSZACIVSA-N 1 2 330.388 2.666 10 5 EFBELO O=C(CCCC1CC1)N[C@@H]1[C@H]2C[N@@H+](Cc3csc([N+](=O)[O-])c3)C[C@H]21 ZINC001713282507 1418452109 /nfs/dbraw/zinc/45/21/09/1418452109.db2.gz ABPMWVJNBYEGAO-HALDLXJZSA-N 1 2 349.456 2.783 10 5 EFBELO O=C(CCCC1CC1)N[C@@H]1[C@H]2C[N@H+](Cc3csc([N+](=O)[O-])c3)C[C@H]21 ZINC001713282507 1418452111 /nfs/dbraw/zinc/45/21/11/1418452111.db2.gz ABPMWVJNBYEGAO-HALDLXJZSA-N 1 2 349.456 2.783 10 5 EFBELO C[C@@]1(COC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCCO1 ZINC000177219584 717948472 /nfs/dbraw/zinc/94/84/72/717948472.db2.gz ALLDOENWBJSEOC-INIZCTEOSA-N 1 2 331.328 2.506 10 5 EFBELO Cc1c(C[NH2+]Cc2nc(Br)c[nH]2)cccc1[N+](=O)[O-] ZINC000311908839 718964855 /nfs/dbraw/zinc/96/48/55/718964855.db2.gz RVHWFEBMGQCNIG-UHFFFAOYSA-N 1 2 325.166 2.679 10 5 EFBELO C[C@@H]1CC[C@H](O)C[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Br ZINC000930749446 720483653 /nfs/dbraw/zinc/48/36/53/720483653.db2.gz HSGLWJKJXDMZLH-SKDRFNHKSA-N 1 2 329.194 2.703 10 5 EFBELO C[C@@H]1CC[C@H](O)C[N@H+]1Cc1cc([N+](=O)[O-])ccc1Br ZINC000930749446 720483656 /nfs/dbraw/zinc/48/36/56/720483656.db2.gz HSGLWJKJXDMZLH-SKDRFNHKSA-N 1 2 329.194 2.703 10 5 EFBELO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CCn2cc[nH+]c2C1 ZINC000907524239 726958604 /nfs/dbraw/zinc/95/86/04/726958604.db2.gz ADIADXIDOWSTMQ-LBPRGKRZSA-N 1 2 348.790 2.509 10 5 EFBELO CCOc1ccc([N+](=O)[O-])cc1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000908276992 727149127 /nfs/dbraw/zinc/14/91/27/727149127.db2.gz ALRARHZLTYSBKX-UHFFFAOYSA-N 1 2 344.371 2.708 10 5 EFBELO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CCn2c[nH+]cc21 ZINC000912583072 727727147 /nfs/dbraw/zinc/72/71/47/727727147.db2.gz AMJWDECMBUKLOW-ZDUSSCGKSA-N 1 2 334.763 2.639 10 5 EFBELO CC(C)(CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)n1cc[nH+]c1 ZINC000912615869 727730239 /nfs/dbraw/zinc/73/02/39/727730239.db2.gz SZYINHKLQVPXMD-UHFFFAOYSA-N 1 2 336.779 2.539 10 5 EFBELO C/C(=C\C(=O)NCC(C)(C)n1cc[nH+]c1)c1ccc([N+](=O)[O-])cc1 ZINC000912615884 727730279 /nfs/dbraw/zinc/73/02/79/727730279.db2.gz UHPAWVXCJPQRLT-JLHYYAGUSA-N 1 2 328.372 2.746 10 5 EFBELO C[C@@](CO)(Cc1ccc(F)cc1)[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000865715261 1126114844 /nfs/dbraw/zinc/11/48/44/1126114844.db2.gz MSZLTGLJAKTWAM-KRWDZBQOSA-N 1 2 334.347 2.523 10 5 EFBELO C[C@](CO)(Cc1ccc(F)cc1)[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000865715262 1126114894 /nfs/dbraw/zinc/11/48/94/1126114894.db2.gz MSZLTGLJAKTWAM-QGZVFWFLSA-N 1 2 334.347 2.523 10 5 EFBELO O=[N+]([O-])c1ccc(C[NH2+][C@H](CO)c2ccc(F)cc2F)cc1F ZINC001647836991 1089892644 /nfs/dbraw/zinc/89/26/44/1089892644.db2.gz CZVFZBJNOCSIIB-CQSZACIVSA-N 1 2 326.274 2.835 10 5 EFBELO O=C(Nc1ccnn1C1CC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001647851198 1089897780 /nfs/dbraw/zinc/89/77/80/1089897780.db2.gz BVGADAPPMWVINR-UHFFFAOYSA-N 1 2 338.327 2.564 10 5 EFBELO C[N@H+](CCn1cnnc1)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001620549965 1090654028 /nfs/dbraw/zinc/65/40/28/1090654028.db2.gz YMFIJXBUQSBAHX-UHFFFAOYSA-N 1 2 330.175 2.625 10 5 EFBELO C[N@@H+](CCn1cnnc1)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001620549965 1090654030 /nfs/dbraw/zinc/65/40/30/1090654030.db2.gz YMFIJXBUQSBAHX-UHFFFAOYSA-N 1 2 330.175 2.625 10 5 EFBELO CN(C(=O)C[N@@H+]1CCO[C@@H](C(C)(C)C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC001648654380 1092247009 /nfs/dbraw/zinc/24/70/09/1092247009.db2.gz OJPRSNSPETYDBO-MRXNPFEDSA-N 1 2 349.431 2.695 10 5 EFBELO CN(C(=O)C[N@H+]1CCO[C@@H](C(C)(C)C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC001648654380 1092247022 /nfs/dbraw/zinc/24/70/22/1092247022.db2.gz OJPRSNSPETYDBO-MRXNPFEDSA-N 1 2 349.431 2.695 10 5 EFBELO O=C(CCCn1cc[nH+]c1)Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC001586995577 1092775222 /nfs/dbraw/zinc/77/52/22/1092775222.db2.gz WJDUGWTZJOFNTI-UHFFFAOYSA-N 1 2 325.328 2.758 10 5 EFBELO CCn1ncc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1C ZINC001594196185 1094422293 /nfs/dbraw/zinc/42/22/93/1094422293.db2.gz UCMIAHCASOFLGE-UHFFFAOYSA-N 1 2 340.343 2.558 10 5 EFBELO CCc1[nH]c(CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c[nH+]1 ZINC001597249807 1094575083 /nfs/dbraw/zinc/57/50/83/1094575083.db2.gz BPEQWUFCMPQLSH-UHFFFAOYSA-N 1 2 342.277 2.829 10 5 EFBELO CCc1[nH]cc(CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[nH+]1 ZINC001597249807 1094575089 /nfs/dbraw/zinc/57/50/89/1094575089.db2.gz BPEQWUFCMPQLSH-UHFFFAOYSA-N 1 2 342.277 2.829 10 5 EFBELO CC(C)c1[nH]cc(CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)[nH+]1 ZINC001597811987 1094628463 /nfs/dbraw/zinc/62/84/63/1094628463.db2.gz PGKKCCZVDUSRPF-UHFFFAOYSA-N 1 2 327.344 2.853 10 5 EFBELO CC(C)c1[nH]c(CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)c[nH+]1 ZINC001597811987 1094628470 /nfs/dbraw/zinc/62/84/70/1094628470.db2.gz PGKKCCZVDUSRPF-UHFFFAOYSA-N 1 2 327.344 2.853 10 5 EFBELO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])c2ncccc12)n1cc[nH+]c1 ZINC001268854513 1097686653 /nfs/dbraw/zinc/68/66/53/1097686653.db2.gz WKIHQGFKJKHZOB-LLVKDONJSA-N 1 2 325.328 2.929 10 5 EFBELO O=[N+]([O-])c1cc(CO)c(NCCCCNc2cccc[nH+]2)cc1F ZINC001611912252 1099038801 /nfs/dbraw/zinc/03/88/01/1099038801.db2.gz JWVFCHDWRILDBC-UHFFFAOYSA-N 1 2 334.351 2.925 10 5 EFBELO O=C(NCC[C@@H]1C[C@H]1C1CC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001616377452 1099178540 /nfs/dbraw/zinc/17/85/40/1099178540.db2.gz YRIYQYRRBNVPQO-HIFRSBDPSA-N 1 2 340.383 2.947 10 5 EFBELO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@H](CCO)c3ccccc3F)nc2c1 ZINC001618798086 1099319702 /nfs/dbraw/zinc/31/97/02/1099319702.db2.gz IQRBRTYALQNJMY-CQSZACIVSA-N 1 2 344.346 2.824 10 5 EFBELO O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)NCCCNc1cccc[nH+]1 ZINC001629879908 1100255861 /nfs/dbraw/zinc/25/58/61/1100255861.db2.gz WDRDRKVILNWGTB-UHFFFAOYSA-N 1 2 348.790 2.804 10 5 EFBELO Cc1[nH]c(CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)[nH+]c1C ZINC001630881936 1100348759 /nfs/dbraw/zinc/34/87/59/1100348759.db2.gz DOBMBBKZHHFVBQ-UHFFFAOYSA-N 1 2 346.390 2.951 10 5 EFBELO Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2N)ccc1-n1cc[nH+]c1 ZINC001632573196 1100485322 /nfs/dbraw/zinc/48/53/22/1100485322.db2.gz SENIFKJMPJZRDC-UHFFFAOYSA-N 1 2 337.339 2.923 10 5 EFBELO CN(CCCNC(=O)CCc1cccc([N+](=O)[O-])c1)c1cccc[nH+]1 ZINC001633065592 1100520300 /nfs/dbraw/zinc/52/03/00/1100520300.db2.gz XVXRIJIIAPWXDL-UHFFFAOYSA-N 1 2 342.399 2.565 10 5 EFBELO Cc1ccc(CNC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1[N+](=O)[O-] ZINC001637701864 1100800956 /nfs/dbraw/zinc/80/09/56/1100800956.db2.gz FLFHKWVTINZXHA-CQSZACIVSA-N 1 2 343.387 2.716 10 5 EFBELO CNc1ccc(C(=O)N2CCC[C@H]2c2[nH]c(C)c(C)[nH+]2)cc1[N+](=O)[O-] ZINC001638206585 1100841652 /nfs/dbraw/zinc/84/16/52/1100841652.db2.gz BCYLCWUFKCSALN-AWEZNQCLSA-N 1 2 343.387 2.954 10 5 EFBELO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC=C(Cl)C1 ZINC001639626868 1100967665 /nfs/dbraw/zinc/96/76/65/1100967665.db2.gz MELKUFQHMXRVOP-UHFFFAOYSA-N 1 2 332.747 2.749 10 5 EFBELO Cc1ccc(NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)c(N)c1[N+](=O)[O-] ZINC001639997497 1101001447 /nfs/dbraw/zinc/00/14/47/1101001447.db2.gz QHSMJAUREJAUCF-ZDUSSCGKSA-N 1 2 331.376 2.908 10 5 EFBELO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001652957164 1101569382 /nfs/dbraw/zinc/56/93/82/1101569382.db2.gz HAGUMCPHNKPNCC-WQAKAFBOSA-N 1 2 325.315 2.509 10 5 EFBELO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001652957164 1101569394 /nfs/dbraw/zinc/56/93/94/1101569394.db2.gz HAGUMCPHNKPNCC-WQAKAFBOSA-N 1 2 325.315 2.509 10 5 EFBELO C[C@@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1ccc(F)cc1OC(F)F ZINC001653040243 1101579178 /nfs/dbraw/zinc/57/91/78/1101579178.db2.gz AIPIZGKFTABCHW-MRVPVSSYSA-N 1 2 344.293 2.920 10 5 EFBELO CC(C)OC(=O)[C@@H]([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)C(C)C ZINC001653676087 1101642110 /nfs/dbraw/zinc/64/21/10/1101642110.db2.gz TUNDRARNMFKZEO-INIZCTEOSA-N 1 2 338.404 2.930 10 5 EFBELO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCCC[C@@]12CCCOC2 ZINC001656573846 1102124346 /nfs/dbraw/zinc/12/43/46/1102124346.db2.gz IFNJPBLGUMIPPN-SFHVURJKSA-N 1 2 347.415 2.877 10 5 EFBELO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCCC[C@@]12CCCOC2 ZINC001656573846 1102124348 /nfs/dbraw/zinc/12/43/48/1102124348.db2.gz IFNJPBLGUMIPPN-SFHVURJKSA-N 1 2 347.415 2.877 10 5 EFBELO CCC(CC)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3csc([N+](=O)[O-])c3)C[C@H]21 ZINC001266898862 1102634348 /nfs/dbraw/zinc/63/43/48/1102634348.db2.gz ACFMIQAURRWQKN-NHAGDIPZSA-N 1 2 337.445 2.639 10 5 EFBELO CCC(CC)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3csc([N+](=O)[O-])c3)C[C@H]21 ZINC001266898862 1102634352 /nfs/dbraw/zinc/63/43/52/1102634352.db2.gz ACFMIQAURRWQKN-NHAGDIPZSA-N 1 2 337.445 2.639 10 5 EFBELO CC/C(C)=C/C(=O)NCC[N@@H+](CC)Cc1csc([N+](=O)[O-])c1 ZINC001663377349 1104075739 /nfs/dbraw/zinc/07/57/39/1104075739.db2.gz NKJINOGOOUZYSO-XYOKQWHBSA-N 1 2 325.434 2.951 10 5 EFBELO CC/C(C)=C/C(=O)NCC[N@H+](CC)Cc1csc([N+](=O)[O-])c1 ZINC001663377349 1104075747 /nfs/dbraw/zinc/07/57/47/1104075747.db2.gz NKJINOGOOUZYSO-XYOKQWHBSA-N 1 2 325.434 2.951 10 5 EFBELO O=C(N[C@H]1CCC[N@H+](CCF)C1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000898490583 1108971937 /nfs/dbraw/zinc/97/19/37/1108971937.db2.gz ULYRSCBWMRDZJK-LBPRGKRZSA-N 1 2 335.335 2.505 10 5 EFBELO O=C(N[C@H]1CCC[N@@H+](CCF)C1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000898490583 1108971942 /nfs/dbraw/zinc/97/19/42/1108971942.db2.gz ULYRSCBWMRDZJK-LBPRGKRZSA-N 1 2 335.335 2.505 10 5 EFBELO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000843818745 1109454029 /nfs/dbraw/zinc/45/40/29/1109454029.db2.gz YRDIDZYBYJRJAK-UHFFFAOYSA-N 1 2 332.335 2.785 10 5 EFBELO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000843818745 1109454030 /nfs/dbraw/zinc/45/40/30/1109454030.db2.gz YRDIDZYBYJRJAK-UHFFFAOYSA-N 1 2 332.335 2.785 10 5 EFBELO Cc1nc(N2CCN(Cc3ccc(Cl)c([N+](=O)[O-])c3)CC2)cc[nH+]1 ZINC000183790021 235227809 /nfs/dbraw/zinc/22/78/09/235227809.db2.gz IQYVLNNGEWJSTE-UHFFFAOYSA-N 1 2 347.806 2.669 10 5 EFBELO C[C@@H](O)CNc1[nH+]c2ccccc2n1Cc1cccc([N+](=O)[O-])c1 ZINC000028914658 202179180 /nfs/dbraw/zinc/17/91/80/202179180.db2.gz QVAFHZKYSIQOMV-GFCCVEGCSA-N 1 2 326.356 2.786 10 5 EFBELO Cc1nc(C[N@@H+]2CCCN(c3cc(N)ccc3[N+](=O)[O-])CC2)cs1 ZINC000193412489 240155484 /nfs/dbraw/zinc/15/54/84/240155484.db2.gz DRSJICVAALFRHG-UHFFFAOYSA-N 1 2 347.444 2.654 10 5 EFBELO Cc1nc(C[N@H+]2CCCN(c3cc(N)ccc3[N+](=O)[O-])CC2)cs1 ZINC000193412489 240155488 /nfs/dbraw/zinc/15/54/88/240155488.db2.gz DRSJICVAALFRHG-UHFFFAOYSA-N 1 2 347.444 2.654 10 5 EFBELO C[C@@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])[C@@H](c1ccccc1)[NH+](C)C ZINC000356260287 296104346 /nfs/dbraw/zinc/10/43/46/296104346.db2.gz VNXXXPKOFLPCSE-PXAZEXFGSA-N 1 2 343.383 2.722 10 5 EFBELO O=C([C@@H]1CCCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-])N1CCCC1 ZINC000069464714 203005602 /nfs/dbraw/zinc/00/56/02/203005602.db2.gz JYQQPSQMCUHESJ-INIZCTEOSA-N 1 2 335.379 2.711 10 5 EFBELO O=C([C@@H]1CCCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-])N1CCCC1 ZINC000069464714 203005605 /nfs/dbraw/zinc/00/56/05/203005605.db2.gz JYQQPSQMCUHESJ-INIZCTEOSA-N 1 2 335.379 2.711 10 5 EFBELO C[C@H](c1cccc(O)c1)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000071892976 203138601 /nfs/dbraw/zinc/13/86/01/203138601.db2.gz HKUUAGWIXCLIFM-GFCCVEGCSA-N 1 2 329.356 2.932 10 5 EFBELO C[C@H](c1cccc(O)c1)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000071892976 203138603 /nfs/dbraw/zinc/13/86/03/203138603.db2.gz HKUUAGWIXCLIFM-GFCCVEGCSA-N 1 2 329.356 2.932 10 5 EFBELO COc1cc(C[N@@H+]2CCO[C@@H](C3CCC3)C2)c([N+](=O)[O-])cc1OC ZINC000414467084 244181046 /nfs/dbraw/zinc/18/10/46/244181046.db2.gz AMMYFTBBJIIQKA-QGZVFWFLSA-N 1 2 336.388 2.613 10 5 EFBELO COc1cc(C[N@H+]2CCO[C@@H](C3CCC3)C2)c([N+](=O)[O-])cc1OC ZINC000414467084 244181052 /nfs/dbraw/zinc/18/10/52/244181052.db2.gz AMMYFTBBJIIQKA-QGZVFWFLSA-N 1 2 336.388 2.613 10 5 EFBELO C[C@@H](O)[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCO1 ZINC000414596943 244249680 /nfs/dbraw/zinc/24/96/80/244249680.db2.gz VRDGBGXNXMAZMZ-WBMJQRKESA-N 1 2 348.424 2.905 10 5 EFBELO C[C@@H](O)[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCO1 ZINC000414596943 244249687 /nfs/dbraw/zinc/24/96/87/244249687.db2.gz VRDGBGXNXMAZMZ-WBMJQRKESA-N 1 2 348.424 2.905 10 5 EFBELO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCO[C@@H]4CCCC[C@@H]43)o2)cc1 ZINC000076710158 203363002 /nfs/dbraw/zinc/36/30/02/203363002.db2.gz FLMXRCOSQRPQBS-LSDHHAIUSA-N 1 2 344.371 2.788 10 5 EFBELO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCO[C@@H]4CCCC[C@@H]43)o2)cc1 ZINC000076710158 203363006 /nfs/dbraw/zinc/36/30/06/203363006.db2.gz FLMXRCOSQRPQBS-LSDHHAIUSA-N 1 2 344.371 2.788 10 5 EFBELO Cc1sc(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000125691741 205022019 /nfs/dbraw/zinc/02/20/19/205022019.db2.gz FFYHWIPMXPYJGO-GWCFXTLKSA-N 1 2 334.401 2.885 10 5 EFBELO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000161214471 206335815 /nfs/dbraw/zinc/33/58/15/206335815.db2.gz ZZGRZUUZRKHDIB-HNNXBMFYSA-N 1 2 326.400 2.869 10 5 EFBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(Cc2ccncc2)CC1 ZINC000161214471 206335820 /nfs/dbraw/zinc/33/58/20/206335820.db2.gz ZZGRZUUZRKHDIB-HNNXBMFYSA-N 1 2 326.400 2.869 10 5 EFBELO CCc1nc(C2([NH2+]CCOc3ccc([N+](=O)[O-])cc3)CCCC2)no1 ZINC000174237180 207000574 /nfs/dbraw/zinc/00/05/74/207000574.db2.gz MHDFAJKLTMXABH-UHFFFAOYSA-N 1 2 346.387 2.978 10 5 EFBELO CCc1nc(C2([NH2+]CCOc3cccc([N+](=O)[O-])c3)CCCC2)no1 ZINC000174235093 207001237 /nfs/dbraw/zinc/00/12/37/207001237.db2.gz RNGIIUMQUIUDJJ-UHFFFAOYSA-N 1 2 346.387 2.978 10 5 EFBELO C[C@H](NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)c1cccc([N+](=O)[O-])c1 ZINC000177424177 207334182 /nfs/dbraw/zinc/33/41/82/207334182.db2.gz DUGDVAJNMKCDOZ-XJKSGUPXSA-N 1 2 343.387 2.727 10 5 EFBELO Cc1ccc([C@H](C)NC(=O)[C@@H]2CCCn3cc[nH+]c32)cc1[N+](=O)[O-] ZINC000177876461 207410868 /nfs/dbraw/zinc/41/08/68/207410868.db2.gz GZQFRYFXYPRRDS-GXTWGEPZSA-N 1 2 328.372 2.855 10 5 EFBELO Cc1ccc(C[NH+]2CCN(c3cnccc3C)CC2)cc1[N+](=O)[O-] ZINC000343644734 145260543 /nfs/dbraw/zinc/26/05/43/145260543.db2.gz WKSMGGVLJVZBEA-UHFFFAOYSA-N 1 2 326.400 2.929 10 5 EFBELO Cc1cc(CCNc2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)on1 ZINC000343988309 145339549 /nfs/dbraw/zinc/33/95/49/145339549.db2.gz WHDYEXPMWQJORG-UHFFFAOYSA-N 1 2 339.355 2.733 10 5 EFBELO CC(C)Cn1cc[nH+]c1CNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000351610680 146158300 /nfs/dbraw/zinc/15/83/00/146158300.db2.gz PAQRBLASELDQHC-UHFFFAOYSA-N 1 2 335.339 2.908 10 5 EFBELO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](Cc1nccn1Cc1ccccc1)CC2 ZINC000352999249 146370126 /nfs/dbraw/zinc/37/01/26/146370126.db2.gz UVUJSEMYQPYOHB-UHFFFAOYSA-N 1 2 349.394 2.793 10 5 EFBELO O=[N+]([O-])c1cnc2c(c1)C[N@H+](Cc1nccn1Cc1ccccc1)CC2 ZINC000352999249 146370128 /nfs/dbraw/zinc/37/01/28/146370128.db2.gz UVUJSEMYQPYOHB-UHFFFAOYSA-N 1 2 349.394 2.793 10 5 EFBELO Cc1ncc([N+](=O)[O-])cc1-c1nc(Cc2cn3ccccc3[nH+]2)no1 ZINC000355642590 147021497 /nfs/dbraw/zinc/02/14/97/147021497.db2.gz LKPOHAGQKIHCAS-UHFFFAOYSA-N 1 2 336.311 2.587 10 5 EFBELO Cc1[nH+]c[nH]c1CC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000356849131 147353730 /nfs/dbraw/zinc/35/37/30/147353730.db2.gz FRQZFQFKDPLMMV-UHFFFAOYSA-N 1 2 339.149 2.570 10 5 EFBELO COc1cc(C[NH2+][C@@H](CO)c2c(F)cccc2F)ccc1[N+](=O)[O-] ZINC000359521211 148108524 /nfs/dbraw/zinc/10/85/24/148108524.db2.gz LQXRVPRPVHVWKP-ZDUSSCGKSA-N 1 2 338.310 2.705 10 5 EFBELO Cc1cn2c([nH+]1)CN(C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)CC2 ZINC000363689375 149000756 /nfs/dbraw/zinc/00/07/56/149000756.db2.gz NIGLINTWYPDJBH-UHFFFAOYSA-N 1 2 329.360 2.764 10 5 EFBELO O=[N+]([O-])c1ccc2c(c1NCc1ccnc(-n3cc[nH+]c3)c1)CCN2 ZINC000368674703 150179849 /nfs/dbraw/zinc/17/98/49/150179849.db2.gz BYELVUTWVKFOLR-UHFFFAOYSA-N 1 2 336.355 2.756 10 5 EFBELO C[C@@H]1C[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C[C@@]2(CCO[C@H](C)C2)O1 ZINC000373965843 151258669 /nfs/dbraw/zinc/25/86/69/151258669.db2.gz ALGDWLVSVUUKBN-XNJGSVPQSA-N 1 2 338.379 2.892 10 5 EFBELO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C[C@@]2(CCO[C@H](C)C2)O1 ZINC000373965843 151258672 /nfs/dbraw/zinc/25/86/72/151258672.db2.gz ALGDWLVSVUUKBN-XNJGSVPQSA-N 1 2 338.379 2.892 10 5 EFBELO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000122833942 222169107 /nfs/dbraw/zinc/16/91/07/222169107.db2.gz GCCDMJAMWANRDT-MLGOLLRUSA-N 1 2 344.371 2.523 10 5 EFBELO CCCN(CC[NH+]1CCCCC1)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000286295872 274171938 /nfs/dbraw/zinc/17/19/38/274171938.db2.gz SDUKKQBYJIBART-UHFFFAOYSA-N 1 2 335.404 2.639 10 5 EFBELO CC(C)[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1nnc2ccccn21 ZINC000339075353 275705210 /nfs/dbraw/zinc/70/52/10/275705210.db2.gz MJXNBWSKERSWND-INIZCTEOSA-N 1 2 341.371 2.830 10 5 EFBELO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000249048575 277353181 /nfs/dbraw/zinc/35/31/81/277353181.db2.gz HTQJZOSQJUKOIR-ZWNOBZJWSA-N 1 2 326.780 2.879 10 5 EFBELO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000249048575 277353183 /nfs/dbraw/zinc/35/31/83/277353183.db2.gz HTQJZOSQJUKOIR-ZWNOBZJWSA-N 1 2 326.780 2.879 10 5 EFBELO Cc1cccc(NC(=O)C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000153182188 293364554 /nfs/dbraw/zinc/36/45/54/293364554.db2.gz NFNUJWRTJLLVDT-UHFFFAOYSA-N 1 2 325.368 2.900 10 5 EFBELO Cc1cccc(NC(=O)C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000153182188 293364556 /nfs/dbraw/zinc/36/45/56/293364556.db2.gz NFNUJWRTJLLVDT-UHFFFAOYSA-N 1 2 325.368 2.900 10 5 EFBELO C[C@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153292314 293369037 /nfs/dbraw/zinc/36/90/37/293369037.db2.gz KYPDGGIHHWHLJG-XJKSGUPXSA-N 1 2 331.416 2.648 10 5 EFBELO C[C@H]1CCCC[C@H]1NC(=O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153292314 293369039 /nfs/dbraw/zinc/36/90/39/293369039.db2.gz KYPDGGIHHWHLJG-XJKSGUPXSA-N 1 2 331.416 2.648 10 5 EFBELO CN(C(=O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)C1CCCCC1 ZINC000153361106 293372312 /nfs/dbraw/zinc/37/23/12/293372312.db2.gz YDVLCPUPYIQLMP-UHFFFAOYSA-N 1 2 331.416 2.744 10 5 EFBELO CN(C(=O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)C1CCCCC1 ZINC000153361106 293372315 /nfs/dbraw/zinc/37/23/15/293372315.db2.gz YDVLCPUPYIQLMP-UHFFFAOYSA-N 1 2 331.416 2.744 10 5 EFBELO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)CCN1CC(F)F ZINC000153530332 293380547 /nfs/dbraw/zinc/38/05/47/293380547.db2.gz RYYUQYKRJRZWEU-GFCCVEGCSA-N 1 2 331.338 2.895 10 5 EFBELO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)CCN1CC(F)F ZINC000153530332 293380549 /nfs/dbraw/zinc/38/05/49/293380549.db2.gz RYYUQYKRJRZWEU-GFCCVEGCSA-N 1 2 331.338 2.895 10 5 EFBELO COC(=O)c1cc(C)nc(NCCCc2[nH+]cccc2C)c1[N+](=O)[O-] ZINC000295023967 295258955 /nfs/dbraw/zinc/25/89/55/295258955.db2.gz QYLYBFUCIJZGRP-UHFFFAOYSA-N 1 2 344.371 2.833 10 5 EFBELO CCn1cc[nH+]c1CNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000295031906 295259658 /nfs/dbraw/zinc/25/96/58/295259658.db2.gz RWYOQXRHDUGQDE-UHFFFAOYSA-N 1 2 343.387 2.659 10 5 EFBELO Cc1cc(NCC[C@H](C)[S@](C)=O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301690486 311152429 /nfs/dbraw/zinc/15/24/29/311152429.db2.gz KAQLXXASNJFJKR-MCFWBGNESA-N 1 2 348.428 2.929 10 5 EFBELO Cc1nc(N2CC[NH+](Cc3ccc(Cl)cn3)CC2)ccc1[N+](=O)[O-] ZINC000302130947 311179154 /nfs/dbraw/zinc/17/91/54/311179154.db2.gz GQRUZEUFXNCXPA-UHFFFAOYSA-N 1 2 347.806 2.669 10 5 EFBELO CC[C@@H](CO)[NH+]1CCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000302263308 311187708 /nfs/dbraw/zinc/18/77/08/311187708.db2.gz DJGMBKBOHUMZNC-JTQLQIEISA-N 1 2 348.230 2.795 10 5 EFBELO CC[C@@H]1[C@@H](CO)CCN1c1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000450653008 312730932 /nfs/dbraw/zinc/73/09/32/312730932.db2.gz GFJZDTVFSFSSCH-GDBMZVCRSA-N 1 2 342.399 2.957 10 5 EFBELO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(C(=O)C(C)C)CC1 ZINC000470171818 313128955 /nfs/dbraw/zinc/12/89/55/313128955.db2.gz PBEPOQGVCPIVTD-RVDMUPIBSA-N 1 2 331.416 2.798 10 5 EFBELO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(C(=O)NC(C)(C)C)CC1 ZINC000481108461 313287444 /nfs/dbraw/zinc/28/74/44/313287444.db2.gz DPVCPNHBNXRHCP-CYBMUJFWSA-N 1 2 334.420 2.782 10 5 EFBELO O=[N+]([O-])c1ccc(CC[N@@H+]2CCO[C@H](COc3ccccc3)C2)cc1 ZINC000484546345 313320500 /nfs/dbraw/zinc/32/05/00/313320500.db2.gz ONJGCRYQRJUZOJ-IBGZPJMESA-N 1 2 342.395 2.917 10 5 EFBELO O=[N+]([O-])c1ccc(CC[N@H+]2CCO[C@H](COc3ccccc3)C2)cc1 ZINC000484546345 313320504 /nfs/dbraw/zinc/32/05/04/313320504.db2.gz ONJGCRYQRJUZOJ-IBGZPJMESA-N 1 2 342.395 2.917 10 5 EFBELO O=[N+]([O-])c1cnc2ccccc2c1N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000488096925 313458426 /nfs/dbraw/zinc/45/84/26/313458426.db2.gz ZBHRMOBBRRWHBI-ZDUSSCGKSA-N 1 2 335.367 2.651 10 5 EFBELO CNc1ccc(C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000532345524 317389273 /nfs/dbraw/zinc/38/92/73/317389273.db2.gz AABSBYSQUVMENG-BLLLJJGKSA-N 1 2 343.387 2.556 10 5 EFBELO C[C@H]1CCCC[C@H]1N(C)C(=O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000550568320 318194716 /nfs/dbraw/zinc/19/47/16/318194716.db2.gz GCERHLKTVQRNJL-WMLDXEAASA-N 1 2 345.443 2.990 10 5 EFBELO C[C@H]1CCCC[C@H]1N(C)C(=O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000550568320 318194718 /nfs/dbraw/zinc/19/47/18/318194718.db2.gz GCERHLKTVQRNJL-WMLDXEAASA-N 1 2 345.443 2.990 10 5 EFBELO C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000550568316 318194821 /nfs/dbraw/zinc/19/48/21/318194821.db2.gz GCERHLKTVQRNJL-PBHICJAKSA-N 1 2 345.443 2.990 10 5 EFBELO C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000550568316 318194823 /nfs/dbraw/zinc/19/48/23/318194823.db2.gz GCERHLKTVQRNJL-PBHICJAKSA-N 1 2 345.443 2.990 10 5 EFBELO Cn1ccnc1[C@@H]([NH2+]CCOC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000556887125 318417313 /nfs/dbraw/zinc/41/73/13/318417313.db2.gz QWZUJAKQYFCHGJ-HNNXBMFYSA-N 1 2 332.404 2.822 10 5 EFBELO CCC(CC)Nc1cc[nH+]cc1NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000566451530 319078101 /nfs/dbraw/zinc/07/81/01/319078101.db2.gz DBABVJADZAAURP-UHFFFAOYSA-N 1 2 344.371 2.970 10 5 EFBELO CC(C)Oc1nc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)ccc1[N+](=O)[O-] ZINC000569019241 319340691 /nfs/dbraw/zinc/34/06/91/319340691.db2.gz HZTFIAACJZMECQ-CQSZACIVSA-N 1 2 344.371 2.830 10 5 EFBELO COc1cccc([N+](=O)[O-])c1N1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000576145488 319987979 /nfs/dbraw/zinc/98/79/79/319987979.db2.gz KLUUAGJRLBNTJH-UHFFFAOYSA-N 1 2 346.387 2.530 10 5 EFBELO Cc1csc([C@@H](C)[NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)n1 ZINC000184167463 323357890 /nfs/dbraw/zinc/35/78/90/323357890.db2.gz KRCRKHJTYSAGQA-LLVKDONJSA-N 1 2 346.412 2.600 10 5 EFBELO Cc1csc([C@H](C)[NH2+][C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)n1 ZINC000184242319 323360452 /nfs/dbraw/zinc/36/04/52/323360452.db2.gz JAROYSFIWRDGKC-SMDDNHRTSA-N 1 2 346.412 2.816 10 5 EFBELO Cc1csc([C@@H](C)[NH2+][C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)n1 ZINC000184242309 323360481 /nfs/dbraw/zinc/36/04/81/323360481.db2.gz JAROYSFIWRDGKC-BXUZGUMPSA-N 1 2 346.412 2.816 10 5 EFBELO C[C@H](C(=O)NCc1ccc[nH+]c1N(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000185006728 323380089 /nfs/dbraw/zinc/38/00/89/323380089.db2.gz MFTHQTQOKHKAGV-NSHDSACASA-N 1 2 346.362 2.615 10 5 EFBELO CC1(C)CC[C@H](CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])O1 ZINC000583480149 324817177 /nfs/dbraw/zinc/81/71/77/324817177.db2.gz NXUJHDJXIFTWRG-OAHLLOKOSA-N 1 2 349.431 2.797 10 5 EFBELO CC(C)(C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1c[nH+]c[nH]1 ZINC000618931357 469474701 /nfs/dbraw/zinc/47/47/01/469474701.db2.gz RADRTKBLKYXMPJ-UHFFFAOYSA-N 1 2 340.343 2.624 10 5 EFBELO CC(C)(C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1c[nH]c[nH+]1 ZINC000618931357 469474708 /nfs/dbraw/zinc/47/47/08/469474708.db2.gz RADRTKBLKYXMPJ-UHFFFAOYSA-N 1 2 340.343 2.624 10 5 EFBELO COCc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000125232074 473379023 /nfs/dbraw/zinc/37/90/23/473379023.db2.gz FJQHDCRLGADJNT-TZMCWYRMSA-N 1 2 345.403 2.827 10 5 EFBELO CCn1cc([C@@H]2C[N@@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CCO2)cn1 ZINC000190760380 473386190 /nfs/dbraw/zinc/38/61/90/473386190.db2.gz QWJDQYDTNPHYLX-GUYCJALGSA-N 1 2 330.388 2.946 10 5 EFBELO CCn1cc([C@@H]2C[N@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CCO2)cn1 ZINC000190760380 473386196 /nfs/dbraw/zinc/38/61/96/473386196.db2.gz QWJDQYDTNPHYLX-GUYCJALGSA-N 1 2 330.388 2.946 10 5 EFBELO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(C)o1 ZINC000007975927 471652601 /nfs/dbraw/zinc/65/26/01/471652601.db2.gz BIFZDYVZCBFXTK-GFCCVEGCSA-N 1 2 347.371 2.964 10 5 EFBELO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(C)o1 ZINC000007975927 471652606 /nfs/dbraw/zinc/65/26/06/471652606.db2.gz BIFZDYVZCBFXTK-GFCCVEGCSA-N 1 2 347.371 2.964 10 5 EFBELO O=[N+]([O-])c1cc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)cs1 ZINC000054175309 472065506 /nfs/dbraw/zinc/06/55/06/472065506.db2.gz ZOYUOQOATSKSJT-UHFFFAOYSA-N 1 2 348.384 2.887 10 5 EFBELO O=C(NCc1[nH+]ccn1CC(F)(F)F)Nc1ccc([N+](=O)[O-])cc1 ZINC000075961993 472228392 /nfs/dbraw/zinc/22/83/92/472228392.db2.gz UARKDZSSOSXXIW-UHFFFAOYSA-N 1 2 343.265 2.675 10 5 EFBELO COc1ccccc1C[NH+]1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000076343073 472326708 /nfs/dbraw/zinc/32/67/08/472326708.db2.gz LPHBNPGCQFAEJV-UHFFFAOYSA-N 1 2 347.440 2.983 10 5 EFBELO C[C@@H](CNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1)[NH+]1CCOCC1 ZINC000090070494 472589196 /nfs/dbraw/zinc/58/91/96/472589196.db2.gz QOBOXKYHMXQHMC-AWEZNQCLSA-N 1 2 342.399 2.789 10 5 EFBELO CCC(=O)N[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000104680543 472682677 /nfs/dbraw/zinc/68/26/77/472682677.db2.gz XECLQTNIBXQEOE-HNNXBMFYSA-N 1 2 349.431 2.873 10 5 EFBELO CCC(=O)N[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000104680543 472682679 /nfs/dbraw/zinc/68/26/79/472682679.db2.gz XECLQTNIBXQEOE-HNNXBMFYSA-N 1 2 349.431 2.873 10 5 EFBELO Cc1ccc(C[N@@H+]2CCNC(=O)C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000092075586 472855791 /nfs/dbraw/zinc/85/57/91/472855791.db2.gz RNJOPQFZTNXPJR-GOSISDBHSA-N 1 2 339.395 2.966 10 5 EFBELO Cc1ccc(C[N@H+]2CCNC(=O)C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000092075586 472855796 /nfs/dbraw/zinc/85/57/96/472855796.db2.gz RNJOPQFZTNXPJR-GOSISDBHSA-N 1 2 339.395 2.966 10 5 EFBELO C[N@@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C[C@H]1CCCCO1 ZINC000121835557 472926678 /nfs/dbraw/zinc/92/66/78/472926678.db2.gz DBMYDBYHAPEYHF-GFCCVEGCSA-N 1 2 341.795 2.688 10 5 EFBELO C[N@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C[C@H]1CCCCO1 ZINC000121835557 472926683 /nfs/dbraw/zinc/92/66/83/472926683.db2.gz DBMYDBYHAPEYHF-GFCCVEGCSA-N 1 2 341.795 2.688 10 5 EFBELO Cc1ccc([C@@H]2C[N@H+](CCOc3cccc([N+](=O)[O-])c3)CCO2)o1 ZINC000158758068 472965444 /nfs/dbraw/zinc/96/54/44/472965444.db2.gz SVLRUDFWYSBFRB-KRWDZBQOSA-N 1 2 332.356 2.949 10 5 EFBELO Cc1ccc([C@@H]2C[N@@H+](CCOc3cccc([N+](=O)[O-])c3)CCO2)o1 ZINC000158758068 472965453 /nfs/dbraw/zinc/96/54/53/472965453.db2.gz SVLRUDFWYSBFRB-KRWDZBQOSA-N 1 2 332.356 2.949 10 5 EFBELO O=[N+]([O-])c1ccc(NC2CCN(c3cccc[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC000052184765 473091115 /nfs/dbraw/zinc/09/11/15/473091115.db2.gz OEEXEBBZEWOPGH-UHFFFAOYSA-N 1 2 343.343 2.979 10 5 EFBELO C[C@@H]1CN(c2ccc(CNc3ncccc3[N+](=O)[O-])c[nH+]2)C[C@@H](C)O1 ZINC000052218708 473094496 /nfs/dbraw/zinc/09/44/96/473094496.db2.gz KJRQAVJDIVQPGP-CHWSQXEVSA-N 1 2 343.387 2.611 10 5 EFBELO O=[N+]([O-])c1ccc(O)cc1C[N@@H+](CCO)[C@@H]1CCc2ccccc21 ZINC000093387399 473099497 /nfs/dbraw/zinc/09/94/97/473099497.db2.gz GLROGHGFPIWHPX-GOSISDBHSA-N 1 2 328.368 2.782 10 5 EFBELO O=[N+]([O-])c1ccc(O)cc1C[N@H+](CCO)[C@@H]1CCc2ccccc21 ZINC000093387399 473099502 /nfs/dbraw/zinc/09/95/02/473099502.db2.gz GLROGHGFPIWHPX-GOSISDBHSA-N 1 2 328.368 2.782 10 5 EFBELO C[C@H](c1cccnc1)[NH+]1CCN(Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000093413103 473104565 /nfs/dbraw/zinc/10/45/65/473104565.db2.gz KDQIOLAZBJMSDT-CQSZACIVSA-N 1 2 342.399 2.574 10 5 EFBELO Cc1cc(CN2CC[NH+]([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)no1 ZINC000066696261 473139969 /nfs/dbraw/zinc/13/99/69/473139969.db2.gz KCCGRKDCQQKPIE-CQSZACIVSA-N 1 2 330.388 2.770 10 5 EFBELO Cc1ccc([C@@H](CNc2ccncc2[N+](=O)[O-])[NH+]2CCOCC2)cc1 ZINC000066809975 473156501 /nfs/dbraw/zinc/15/65/01/473156501.db2.gz LSILPRLORFKYGU-QGZVFWFLSA-N 1 2 342.399 2.784 10 5 EFBELO CC(C)c1[nH+]c2c(n1C)CCN(C[C@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000137052673 473192406 /nfs/dbraw/zinc/19/24/06/473192406.db2.gz RZZXJKIMOPBMCT-KRWDZBQOSA-N 1 2 344.415 2.543 10 5 EFBELO CC(C)c1nc2c(n1C)CC[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000137052673 473192410 /nfs/dbraw/zinc/19/24/10/473192410.db2.gz RZZXJKIMOPBMCT-KRWDZBQOSA-N 1 2 344.415 2.543 10 5 EFBELO CC(C)c1nc2c(n1C)CC[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000137052673 473192413 /nfs/dbraw/zinc/19/24/13/473192413.db2.gz RZZXJKIMOPBMCT-KRWDZBQOSA-N 1 2 344.415 2.543 10 5 EFBELO COc1cccc(N2CC[C@H](CNc3cccc[nH+]3)C2)c1[N+](=O)[O-] ZINC000185312175 473392325 /nfs/dbraw/zinc/39/23/25/473392325.db2.gz OBQNDGABTKFLCB-CYBMUJFWSA-N 1 2 328.372 2.937 10 5 EFBELO COCc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000151196912 473424876 /nfs/dbraw/zinc/42/48/76/473424876.db2.gz BXIBUAQFRFETCX-RISCZKNCSA-N 1 2 331.376 2.518 10 5 EFBELO COCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000151196845 473425015 /nfs/dbraw/zinc/42/50/15/473425015.db2.gz BXIBUAQFRFETCX-FZMZJTMJSA-N 1 2 331.376 2.518 10 5 EFBELO O=[N+]([O-])c1cc(C[N@@H+]2CCCC[C@H]2c2cn[nH]c2)c2c(c1)COCO2 ZINC000114483935 473475478 /nfs/dbraw/zinc/47/54/78/473475478.db2.gz IJNKQAPPQSEYKH-INIZCTEOSA-N 1 2 344.371 2.912 10 5 EFBELO O=[N+]([O-])c1cc(C[N@H+]2CCCC[C@H]2c2cn[nH]c2)c2c(c1)COCO2 ZINC000114483935 473475484 /nfs/dbraw/zinc/47/54/84/473475484.db2.gz IJNKQAPPQSEYKH-INIZCTEOSA-N 1 2 344.371 2.912 10 5 EFBELO CN1CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1=O ZINC000191662743 473565095 /nfs/dbraw/zinc/56/50/95/473565095.db2.gz NXMVAXSNNAVIAC-UHFFFAOYSA-N 1 2 329.356 2.519 10 5 EFBELO CN1CCC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1=O ZINC000191662743 473565108 /nfs/dbraw/zinc/56/51/08/473565108.db2.gz NXMVAXSNNAVIAC-UHFFFAOYSA-N 1 2 329.356 2.519 10 5 EFBELO Cc1cc(C)n2c(C[N@@H+](C)Cc3ccccc3[N+](=O)[O-])cnc2n1 ZINC000179315846 473672884 /nfs/dbraw/zinc/67/28/84/473672884.db2.gz NGOJJGFRXQYVRO-UHFFFAOYSA-N 1 2 325.372 2.886 10 5 EFBELO Cc1cc(C)n2c(C[N@H+](C)Cc3ccccc3[N+](=O)[O-])cnc2n1 ZINC000179315846 473672888 /nfs/dbraw/zinc/67/28/88/473672888.db2.gz NGOJJGFRXQYVRO-UHFFFAOYSA-N 1 2 325.372 2.886 10 5 EFBELO CC(C)Cn1cc[nH+]c1CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000172766608 473681749 /nfs/dbraw/zinc/68/17/49/473681749.db2.gz JAZNGNZPMKTHGY-UHFFFAOYSA-N 1 2 343.387 2.944 10 5 EFBELO CCn1nc(C)c([N+](=O)[O-])c1NC1CCN(c2cccc[nH+]2)CC1 ZINC000192497824 473685731 /nfs/dbraw/zinc/68/57/31/473685731.db2.gz WXHDMAPJBMVVTL-UHFFFAOYSA-N 1 2 330.392 2.596 10 5 EFBELO COc1cc(C[N@@H+]2CCO[C@@H]3CCCC[C@H]32)c([N+](=O)[O-])cc1OC ZINC000245545317 473718182 /nfs/dbraw/zinc/71/81/82/473718182.db2.gz TWRNIKWCQCJHEI-UKRRQHHQSA-N 1 2 336.388 2.755 10 5 EFBELO COc1cc(C[N@H+]2CCO[C@@H]3CCCC[C@H]32)c([N+](=O)[O-])cc1OC ZINC000245545317 473718189 /nfs/dbraw/zinc/71/81/89/473718189.db2.gz TWRNIKWCQCJHEI-UKRRQHHQSA-N 1 2 336.388 2.755 10 5 EFBELO Cc1cnn([C@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)c1 ZINC000193916827 473821136 /nfs/dbraw/zinc/82/11/36/473821136.db2.gz DRTJMAUXXRRVSX-HNNXBMFYSA-N 1 2 345.359 2.845 10 5 EFBELO Cc1cnn([C@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)c1 ZINC000193916827 473821141 /nfs/dbraw/zinc/82/11/41/473821141.db2.gz DRTJMAUXXRRVSX-HNNXBMFYSA-N 1 2 345.359 2.845 10 5 EFBELO CSc1cccc(C(=O)NCc2ccc[nH+]c2N(C)C)c1[N+](=O)[O-] ZINC000188054441 473964229 /nfs/dbraw/zinc/96/42/29/473964229.db2.gz OFZCPZYKOAUDBC-UHFFFAOYSA-N 1 2 346.412 2.708 10 5 EFBELO O=[N+]([O-])c1cc(-c2nc(C[C@H]3CCCO3)no2)ccc1-n1cc[nH+]c1 ZINC000264607870 474058339 /nfs/dbraw/zinc/05/83/39/474058339.db2.gz NEQLLRHLCDVQQV-GFCCVEGCSA-N 1 2 341.327 2.552 10 5 EFBELO O=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)c1ccc([N+](=O)[O-])o1 ZINC000188758992 474187288 /nfs/dbraw/zinc/18/72/88/474187288.db2.gz SDMURPZJFHAVDJ-UHFFFAOYSA-N 1 2 349.774 2.629 10 5 EFBELO O=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)c1ccc([N+](=O)[O-])o1 ZINC000188758992 474187291 /nfs/dbraw/zinc/18/72/91/474187291.db2.gz SDMURPZJFHAVDJ-UHFFFAOYSA-N 1 2 349.774 2.629 10 5 EFBELO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000176185510 474404014 /nfs/dbraw/zinc/40/40/14/474404014.db2.gz LWPCXJAFZFKQPH-GFCCVEGCSA-N 1 2 334.763 2.750 10 5 EFBELO COc1ccc([N+](=O)[O-])c(N2CCC[N@H+](Cc3cscn3)CC2)c1 ZINC000266192736 474424108 /nfs/dbraw/zinc/42/41/08/474424108.db2.gz CCAMSSDSSVWOKV-UHFFFAOYSA-N 1 2 348.428 2.772 10 5 EFBELO COc1ccc([N+](=O)[O-])c(N2CCC[N@@H+](Cc3cscn3)CC2)c1 ZINC000266192736 474424112 /nfs/dbraw/zinc/42/41/12/474424112.db2.gz CCAMSSDSSVWOKV-UHFFFAOYSA-N 1 2 348.428 2.772 10 5 EFBELO CO[C@@H](C)c1noc(C[N@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])n1 ZINC000271224320 474450469 /nfs/dbraw/zinc/45/04/69/474450469.db2.gz QEAWMJCCYOGIJL-WMADIVHISA-N 1 2 332.360 2.830 10 5 EFBELO CO[C@@H](C)c1noc(C[N@@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])n1 ZINC000271224320 474450475 /nfs/dbraw/zinc/45/04/75/474450475.db2.gz QEAWMJCCYOGIJL-WMADIVHISA-N 1 2 332.360 2.830 10 5 EFBELO O=[N+]([O-])c1cccc(C[NH+]2CCN(c3cc(C4CC4)[nH]n3)CC2)c1 ZINC000189690991 474463935 /nfs/dbraw/zinc/46/39/35/474463935.db2.gz PYFASYFZHYMMKQ-UHFFFAOYSA-N 1 2 327.388 2.518 10 5 EFBELO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@H]1CCN(c2ccccc2)C1=O ZINC000276321888 474495637 /nfs/dbraw/zinc/49/56/37/474495637.db2.gz OUYIEEDMJGFKKR-KRWDZBQOSA-N 1 2 343.358 2.971 10 5 EFBELO C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@H]1CCN(c2ccccc2)C1=O ZINC000276321888 474495645 /nfs/dbraw/zinc/49/56/45/474495645.db2.gz OUYIEEDMJGFKKR-KRWDZBQOSA-N 1 2 343.358 2.971 10 5 EFBELO COC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 ZINC000283979918 474540868 /nfs/dbraw/zinc/54/08/68/474540868.db2.gz FSVRIQBSQBPUSO-OAHLLOKOSA-N 1 2 331.328 2.980 10 5 EFBELO O=C(NCc1cn2ccccc2[nH+]1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000338876421 474693498 /nfs/dbraw/zinc/69/34/98/474693498.db2.gz HPMVZVSORVUUPY-UHFFFAOYSA-N 1 2 335.323 2.654 10 5 EFBELO CCc1ccc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)nc1 ZINC000338900081 474714718 /nfs/dbraw/zinc/71/47/18/474714718.db2.gz OGHHTAFEBNPVQD-UHFFFAOYSA-N 1 2 326.400 2.874 10 5 EFBELO O=[N+]([O-])c1ccc(NC[C@@H](c2cccc(F)c2)[NH+]2CCOCC2)cn1 ZINC000344423423 474741862 /nfs/dbraw/zinc/74/18/62/474741862.db2.gz RQDLDMWEPVPFNQ-INIZCTEOSA-N 1 2 346.362 2.614 10 5 EFBELO O=[N+]([O-])c1ccccc1/C=C\CN1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000255121006 474806261 /nfs/dbraw/zinc/80/62/61/474806261.db2.gz MUGATZJQVJDWPK-LZCIBIBXSA-N 1 2 345.443 2.795 10 5 EFBELO O=C1NCCC[N@@H+](Cc2csc([N+](=O)[O-])c2)[C@@H]1Cc1ccccc1 ZINC000293115164 474821499 /nfs/dbraw/zinc/82/14/99/474821499.db2.gz YRWCZNQPHXWJIN-OAHLLOKOSA-N 1 2 345.424 2.590 10 5 EFBELO O=C1NCCC[N@H+](Cc2csc([N+](=O)[O-])c2)[C@@H]1Cc1ccccc1 ZINC000293115164 474821509 /nfs/dbraw/zinc/82/15/09/474821509.db2.gz YRWCZNQPHXWJIN-OAHLLOKOSA-N 1 2 345.424 2.590 10 5 EFBELO C[C@H]1C[N@H+](CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)[C@H]1C ZINC000293305115 474918339 /nfs/dbraw/zinc/91/83/39/474918339.db2.gz FCSHJOPFFQWQGW-QWRGUYRKSA-N 1 2 346.412 2.997 10 5 EFBELO C[C@H]1C[N@@H+](CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)[C@H]1C ZINC000293305115 474918348 /nfs/dbraw/zinc/91/83/48/474918348.db2.gz FCSHJOPFFQWQGW-QWRGUYRKSA-N 1 2 346.412 2.997 10 5 EFBELO O=[N+]([O-])c1cnn(CC[N@@H+]2CCCC[C@H]2c2nnc(C3CCC3)o2)c1 ZINC000287536665 475187850 /nfs/dbraw/zinc/18/78/50/475187850.db2.gz 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EFBELO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCOCC12CCCCC2 ZINC000451810333 478212513 /nfs/dbraw/zinc/21/25/13/478212513.db2.gz CIKIXVFAVVBERL-UHFFFAOYSA-N 1 2 347.415 2.877 10 5 EFBELO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCOCC12CCCCC2 ZINC000451810333 478212516 /nfs/dbraw/zinc/21/25/16/478212516.db2.gz CIKIXVFAVVBERL-UHFFFAOYSA-N 1 2 347.415 2.877 10 5 EFBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)[C@H](CO)c2ccccc2)c1 ZINC000590656902 478277877 /nfs/dbraw/zinc/27/78/77/478277877.db2.gz JVUZJLVANRDGBC-QGZVFWFLSA-N 1 2 344.367 2.547 10 5 EFBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)[C@H](CO)c2ccccc2)c1 ZINC000590656902 478277883 /nfs/dbraw/zinc/27/78/83/478277883.db2.gz JVUZJLVANRDGBC-QGZVFWFLSA-N 1 2 344.367 2.547 10 5 EFBELO Cc1ccc([C@@H](C)NC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)cc1[N+](=O)[O-] ZINC000597348148 478305705 /nfs/dbraw/zinc/30/57/05/478305705.db2.gz FSBZCZZHYOIQJA-YPMHNXCESA-N 1 2 328.372 2.609 10 5 EFBELO Cc1ccc([C@@H](C)NC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)cc1[N+](=O)[O-] ZINC000597348148 478305712 /nfs/dbraw/zinc/30/57/12/478305712.db2.gz FSBZCZZHYOIQJA-YPMHNXCESA-N 1 2 328.372 2.609 10 5 EFBELO COc1cccc([N+](=O)[O-])c1N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000594555423 478436407 /nfs/dbraw/zinc/43/64/07/478436407.db2.gz DQZKEEUAIOTNOM-CQSZACIVSA-N 1 2 342.399 2.882 10 5 EFBELO C[C@H](CNc1ncc([N+](=O)[O-])cc1Cl)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594592590 478453588 /nfs/dbraw/zinc/45/35/88/478453588.db2.gz SKIHQNYCYFEZTP-MXWKQRLJSA-N 1 2 328.800 2.553 10 5 EFBELO C[C@H](CNc1ncc([N+](=O)[O-])cc1Cl)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594592590 478453595 /nfs/dbraw/zinc/45/35/95/478453595.db2.gz SKIHQNYCYFEZTP-MXWKQRLJSA-N 1 2 328.800 2.553 10 5 EFBELO Cn1cc(C[C@H]2CCC[C@@H]2[NH2+]Cc2cc(O)ccc2[N+](=O)[O-])cn1 ZINC000594979363 478614838 /nfs/dbraw/zinc/61/48/38/478614838.db2.gz JXYALAIYCPNSDA-CJNGLKHVSA-N 1 2 330.388 2.535 10 5 EFBELO Cn1ccnc1[C@H]([NH2+][C@H]1COC(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000595051424 478641645 /nfs/dbraw/zinc/64/16/45/478641645.db2.gz UKWGKRWDEMUJIA-UKRRQHHQSA-N 1 2 330.388 2.575 10 5 EFBELO C[C@](CO)([NH2+]Cc1ncc(Cl)s1)c1cccc([N+](=O)[O-])c1 ZINC000601150361 478689326 /nfs/dbraw/zinc/68/93/26/478689326.db2.gz WFGVAOBSGOHFRA-CYBMUJFWSA-N 1 2 327.793 2.702 10 5 EFBELO C[C@](CO)([NH2+]Cc1nc2c(s1)CCC2)c1cccc([N+](=O)[O-])c1 ZINC000601150016 478690272 /nfs/dbraw/zinc/69/02/72/478690272.db2.gz RXAMQWPNRSVOGQ-MRXNPFEDSA-N 1 2 333.413 2.537 10 5 EFBELO COC(=O)[C@@]1(C)CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C[C@@H]1C ZINC000601212018 478726615 /nfs/dbraw/zinc/72/66/15/478726615.db2.gz FACVWRGLOCEJGF-GTNSWQLSSA-N 1 2 329.356 2.778 10 5 EFBELO CC(C)(CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21)[C@]1(O)CCOC1 ZINC000591988560 478735384 /nfs/dbraw/zinc/73/53/84/478735384.db2.gz UPXOGFBTBQJXMR-KRWDZBQOSA-N 1 2 331.372 2.733 10 5 EFBELO C[C@@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])c1nnc2n1CCCCC2 ZINC000595434013 478778909 /nfs/dbraw/zinc/77/89/09/478778909.db2.gz RQSJUDVTLIPLQK-LLVKDONJSA-N 1 2 333.367 2.903 10 5 EFBELO CC[C@@H]1CN(c2ccccc2)CC[N@@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595435170 478780201 /nfs/dbraw/zinc/78/02/01/478780201.db2.gz LLADXGXTLPWMIU-CQSZACIVSA-N 1 2 330.388 2.992 10 5 EFBELO CC[C@@H]1CN(c2ccccc2)CC[N@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595435170 478780210 /nfs/dbraw/zinc/78/02/10/478780210.db2.gz LLADXGXTLPWMIU-CQSZACIVSA-N 1 2 330.388 2.992 10 5 EFBELO O=[N+]([O-])c1ccccc1C[N@@H+](Cc1cnns1)[C@H]1CC[C@H](O)CC1 ZINC000592132755 478790718 /nfs/dbraw/zinc/79/07/18/478790718.db2.gz NOZBBTSVSBVWRW-HDJSIYSDSA-N 1 2 348.428 2.752 10 5 EFBELO O=[N+]([O-])c1ccccc1C[N@H+](Cc1cnns1)[C@H]1CC[C@H](O)CC1 ZINC000592132755 478790724 /nfs/dbraw/zinc/79/07/24/478790724.db2.gz NOZBBTSVSBVWRW-HDJSIYSDSA-N 1 2 348.428 2.752 10 5 EFBELO O=[N+]([O-])c1cc(F)ccc1C[NH+]1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000595451180 478793257 /nfs/dbraw/zinc/79/32/57/478793257.db2.gz XEGLPCFUAORSAT-UHFFFAOYSA-N 1 2 345.378 2.657 10 5 EFBELO COC(=O)C1([N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C2CC2)CCC1 ZINC000595542891 478842906 /nfs/dbraw/zinc/84/29/06/478842906.db2.gz XQQXACRDITWGNJ-UHFFFAOYSA-N 1 2 334.372 2.664 10 5 EFBELO COC(=O)C1([N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C2CC2)CCC1 ZINC000595542891 478842913 /nfs/dbraw/zinc/84/29/13/478842913.db2.gz XQQXACRDITWGNJ-UHFFFAOYSA-N 1 2 334.372 2.664 10 5 EFBELO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCO[C@](C)(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000595627436 478899051 /nfs/dbraw/zinc/89/90/51/478899051.db2.gz ZCZMYDYJKKBTMQ-ACJLOTCBSA-N 1 2 347.415 2.731 10 5 EFBELO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCO[C@](C)(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000595627436 478899055 /nfs/dbraw/zinc/89/90/55/478899055.db2.gz ZCZMYDYJKKBTMQ-ACJLOTCBSA-N 1 2 347.415 2.731 10 5 EFBELO CCn1cc[nH+]c1CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601611278 478906042 /nfs/dbraw/zinc/90/60/42/478906042.db2.gz OQRYCRIVQYUKCZ-UHFFFAOYSA-N 1 2 328.372 2.549 10 5 EFBELO C[C@@H]1CCC[C@@](CNC(=O)c2cc(O)ccc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000507527367 478926892 /nfs/dbraw/zinc/92/68/92/478926892.db2.gz FQYGHJHQDWOBLB-SJKOYZFVSA-N 1 2 335.404 2.541 10 5 EFBELO C[C@@H]1COC2(CCC2)C[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000595673162 478929077 /nfs/dbraw/zinc/92/90/77/478929077.db2.gz BVCJFBFDBIGJQI-GFCCVEGCSA-N 1 2 344.371 2.788 10 5 EFBELO C[C@@H]1COC2(CCC2)C[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000595673162 478929085 /nfs/dbraw/zinc/92/90/85/478929085.db2.gz BVCJFBFDBIGJQI-GFCCVEGCSA-N 1 2 344.371 2.788 10 5 EFBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC3(CCC3)OC[C@@H]2C)c1 ZINC000595680521 478932732 /nfs/dbraw/zinc/93/27/32/478932732.db2.gz IFKKPFWEQNOESG-LBPRGKRZSA-N 1 2 334.372 2.525 10 5 EFBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC3(CCC3)OC[C@@H]2C)c1 ZINC000595680521 478932739 /nfs/dbraw/zinc/93/27/39/478932739.db2.gz IFKKPFWEQNOESG-LBPRGKRZSA-N 1 2 334.372 2.525 10 5 EFBELO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCC[C@@H]1CC1(F)F ZINC000598638770 478939022 /nfs/dbraw/zinc/93/90/22/478939022.db2.gz PEIPMUCXJBLZEW-CYBMUJFWSA-N 1 2 341.358 2.884 10 5 EFBELO COC(=O)[C@@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@@H]2CCCC[C@@H]12 ZINC000595736230 478967926 /nfs/dbraw/zinc/96/79/26/478967926.db2.gz ZZXXOSLTUGIYAQ-ZMSDIMECSA-N 1 2 348.399 2.854 10 5 EFBELO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@@H]2CCCC[C@@H]12 ZINC000595736230 478967929 /nfs/dbraw/zinc/96/79/29/478967929.db2.gz ZZXXOSLTUGIYAQ-ZMSDIMECSA-N 1 2 348.399 2.854 10 5 EFBELO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(c2ccon2)CC1 ZINC000595827318 479020838 /nfs/dbraw/zinc/02/08/38/479020838.db2.gz CJLCNKNZJPPIKT-LBPRGKRZSA-N 1 2 344.371 2.789 10 5 EFBELO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCOc2ccc(O)cc2C1 ZINC000595858483 479036889 /nfs/dbraw/zinc/03/68/89/479036889.db2.gz URYITFDAXKRBOK-UHFFFAOYSA-N 1 2 330.340 2.574 10 5 EFBELO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCOc2ccc(O)cc2C1 ZINC000595858483 479036894 /nfs/dbraw/zinc/03/68/94/479036894.db2.gz URYITFDAXKRBOK-UHFFFAOYSA-N 1 2 330.340 2.574 10 5 EFBELO CN1Cc2ccccc2[C@@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1=O ZINC000598939488 479092763 /nfs/dbraw/zinc/09/27/63/479092763.db2.gz KDZMCGAKFZDCSP-FUHWJXTLSA-N 1 2 337.379 2.885 10 5 EFBELO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000598947583 479096663 /nfs/dbraw/zinc/09/66/63/479096663.db2.gz OASDOJWQMICGEX-LLVKDONJSA-N 1 2 346.412 2.648 10 5 EFBELO Cn1ncc(C(F)(F)F)c1C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000598989703 479116293 /nfs/dbraw/zinc/11/62/93/479116293.db2.gz QXMXDDQFPFZMBQ-UHFFFAOYSA-N 1 2 332.257 2.776 10 5 EFBELO CC(C)(C)C(F)(F)C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000596070629 479119792 /nfs/dbraw/zinc/11/97/92/479119792.db2.gz QPNZOSOUXDMLTI-LLVKDONJSA-N 1 2 332.347 2.606 10 5 EFBELO COC(=O)c1c(Cl)c(N[C@@H](C)Cn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000596077812 479124801 /nfs/dbraw/zinc/12/48/01/479124801.db2.gz BSOQEEUZSWBUFX-VIFPVBQESA-N 1 2 338.751 2.732 10 5 EFBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](Cc2ccccn2)C2CC2)c1 ZINC000593021303 479129230 /nfs/dbraw/zinc/12/92/30/479129230.db2.gz XAHPNDXEIQLZGO-UHFFFAOYSA-N 1 2 341.367 2.941 10 5 EFBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](Cc2ccccn2)C2CC2)c1 ZINC000593021303 479129235 /nfs/dbraw/zinc/12/92/35/479129235.db2.gz XAHPNDXEIQLZGO-UHFFFAOYSA-N 1 2 341.367 2.941 10 5 EFBELO COC[C@@H]([NH2+]Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])c1ccc(C)o1 ZINC000593022489 479130069 /nfs/dbraw/zinc/13/00/69/479130069.db2.gz HEEKULLGWUDFQN-CQSZACIVSA-N 1 2 348.355 2.760 10 5 EFBELO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H](C)c2nc(C)cs2)c1 ZINC000593023779 479130737 /nfs/dbraw/zinc/13/07/37/479130737.db2.gz ARMVIHPTNDMBSQ-JTQLQIEISA-N 1 2 335.385 2.997 10 5 EFBELO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCO[C@H](C(F)(F)F)C1 ZINC000599047333 479138071 /nfs/dbraw/zinc/13/80/71/479138071.db2.gz UDJRFDXNMBGVNR-LBPRGKRZSA-N 1 2 327.262 2.911 10 5 EFBELO CCOCCO[C@H]1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599059177 479142263 /nfs/dbraw/zinc/14/22/63/479142263.db2.gz OLSTYFNNZRDAER-AWEZNQCLSA-N 1 2 331.372 2.775 10 5 EFBELO O=[N+]([O-])c1c(NC[C@@H]2CCCCS2(=O)=O)ccc2c[nH+]ccc21 ZINC000599065776 479146192 /nfs/dbraw/zinc/14/61/92/479146192.db2.gz NHGQTRIDCFSQJY-LBPRGKRZSA-N 1 2 335.385 2.522 10 5 EFBELO CC(C)OC[C@@H]1CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CCO1 ZINC000599067464 479146985 /nfs/dbraw/zinc/14/69/85/479146985.db2.gz DWZKPEQFCRRXRL-AWEZNQCLSA-N 1 2 331.372 2.773 10 5 EFBELO CC[C@@H]1CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000599070470 479148734 /nfs/dbraw/zinc/14/87/34/479148734.db2.gz IKJMIOBRRAWWAT-RDTXWAMCSA-N 1 2 343.383 2.917 10 5 EFBELO COCCn1cc(CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])cn1 ZINC000599073617 479151359 /nfs/dbraw/zinc/15/13/59/479151359.db2.gz FXIARKGIHDTAKI-UHFFFAOYSA-N 1 2 327.344 2.598 10 5 EFBELO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCO[C@@]2(CCCOC2)C1 ZINC000599080525 479152386 /nfs/dbraw/zinc/15/23/86/479152386.db2.gz HTMCOVGTHRNKRY-KRWDZBQOSA-N 1 2 329.356 2.529 10 5 EFBELO Cn1ccnc1[C@H]([NH2+][C@H]1CO[C@H](C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000599084654 479154830 /nfs/dbraw/zinc/15/48/30/479154830.db2.gz DQSPVPUNIYWTTQ-HYVNUMGLSA-N 1 2 342.399 2.575 10 5 EFBELO CC[C@H]1CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C[C@@H](C)S1(=O)=O ZINC000599085080 479154871 /nfs/dbraw/zinc/15/48/71/479154871.db2.gz LIYGKTMSMZNPRS-YPMHNXCESA-N 1 2 349.412 2.545 10 5 EFBELO CC(C)(CCNc1ccc2c[nH+]ccc2c1[N+](=O)[O-])S(C)(=O)=O ZINC000599086610 479156135 /nfs/dbraw/zinc/15/61/35/479156135.db2.gz PTZFZFMADUOWKW-UHFFFAOYSA-N 1 2 337.401 2.768 10 5 EFBELO CS(=O)(=O)CC1(CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CCC1 ZINC000599090096 479158434 /nfs/dbraw/zinc/15/84/34/479158434.db2.gz JBYSOSAPJFSIER-UHFFFAOYSA-N 1 2 349.412 2.770 10 5 EFBELO O=[N+]([O-])c1c(NCc2cc3n(n2)CCCO3)ccc2c[nH+]ccc21 ZINC000599097260 479160612 /nfs/dbraw/zinc/16/06/12/479160612.db2.gz CNPUPFJFIFLASH-UHFFFAOYSA-N 1 2 325.328 2.734 10 5 EFBELO CCS(=O)(=O)C1(CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599110077 479163714 /nfs/dbraw/zinc/16/37/14/479163714.db2.gz FMBCDHDGMHFIAZ-UHFFFAOYSA-N 1 2 335.385 2.522 10 5 EFBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2C[C@H](C)OCC23CCC3)c1 ZINC000593092063 479168943 /nfs/dbraw/zinc/16/89/43/479168943.db2.gz MFLWULRDGDYRLP-LBPRGKRZSA-N 1 2 334.372 2.525 10 5 EFBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@H](C)OCC23CCC3)c1 ZINC000593092063 479168948 /nfs/dbraw/zinc/16/89/48/479168948.db2.gz MFLWULRDGDYRLP-LBPRGKRZSA-N 1 2 334.372 2.525 10 5 EFBELO Cc1cc(N[C@]23C[C@H]2COC3(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000599143442 479178876 /nfs/dbraw/zinc/17/88/76/479178876.db2.gz RBUHBKVGMIZLNJ-SCLBCKFNSA-N 1 2 340.383 2.762 10 5 EFBELO O=C(C[N@@H+]1CC[C@@]2(CC2(F)F)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000593119392 479187981 /nfs/dbraw/zinc/18/79/81/479187981.db2.gz XGPXEKVEIBHZDE-CYBMUJFWSA-N 1 2 345.733 2.918 10 5 EFBELO O=C(C[N@H+]1CC[C@@]2(CC2(F)F)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000593119392 479187985 /nfs/dbraw/zinc/18/79/85/479187985.db2.gz XGPXEKVEIBHZDE-CYBMUJFWSA-N 1 2 345.733 2.918 10 5 EFBELO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000602160256 479208974 /nfs/dbraw/zinc/20/89/74/479208974.db2.gz MIMXWERREBCVFK-FVQBIDKESA-N 1 2 340.383 2.828 10 5 EFBELO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000602160256 479208984 /nfs/dbraw/zinc/20/89/84/479208984.db2.gz MIMXWERREBCVFK-FVQBIDKESA-N 1 2 340.383 2.828 10 5 EFBELO Cc1cc(C)c([N+](=O)[O-])c(NCC2CC[NH+](CC(F)F)CC2)n1 ZINC000596237862 479218407 /nfs/dbraw/zinc/21/84/07/479218407.db2.gz BVJKSQQLWKBECX-UHFFFAOYSA-N 1 2 328.363 2.996 10 5 EFBELO CCCN(CC(F)(F)F)C(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000599260074 479225336 /nfs/dbraw/zinc/22/53/36/479225336.db2.gz UXYHWXAXLFODIL-UHFFFAOYSA-N 1 2 347.337 2.828 10 5 EFBELO CCCN(CC(F)(F)F)C(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000599260074 479225343 /nfs/dbraw/zinc/22/53/43/479225343.db2.gz UXYHWXAXLFODIL-UHFFFAOYSA-N 1 2 347.337 2.828 10 5 EFBELO COCCC1CN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000596356975 479264726 /nfs/dbraw/zinc/26/47/26/479264726.db2.gz MYDVWDZETWEFIJ-UHFFFAOYSA-N 1 2 328.372 2.833 10 5 EFBELO O=[N+]([O-])c1cc(C[N@H+](Cc2ccccc2)[C@]2(CO)CCOC2)cs1 ZINC000599397902 479283597 /nfs/dbraw/zinc/28/35/97/479283597.db2.gz QWIVLGWQIFRWIN-KRWDZBQOSA-N 1 2 348.424 2.810 10 5 EFBELO O=[N+]([O-])c1cc(C[N@@H+](Cc2ccccc2)[C@]2(CO)CCOC2)cs1 ZINC000599397902 479283602 /nfs/dbraw/zinc/28/36/02/479283602.db2.gz QWIVLGWQIFRWIN-KRWDZBQOSA-N 1 2 348.424 2.810 10 5 EFBELO COc1cc(NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)c(Cl)cc1[N+](=O)[O-] ZINC000596428766 479292178 /nfs/dbraw/zinc/29/21/78/479292178.db2.gz HSLDHONWAREAJK-WDEREUQCSA-N 1 2 343.811 2.778 10 5 EFBELO COc1cc(NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)c(Cl)cc1[N+](=O)[O-] ZINC000596428766 479292182 /nfs/dbraw/zinc/29/21/82/479292182.db2.gz HSLDHONWAREAJK-WDEREUQCSA-N 1 2 343.811 2.778 10 5 EFBELO Cc1cc(N2C[C@H]3COC[C@]3(C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000596483058 479313458 /nfs/dbraw/zinc/31/34/58/479313458.db2.gz OELQEXCWOABFOO-KSSFIOAISA-N 1 2 340.383 2.833 10 5 EFBELO Cc1ccc(C[NH+]2CCN(C(=O)CC(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000611254172 479324857 /nfs/dbraw/zinc/32/48/57/479324857.db2.gz CETMYHLYUVQLIN-UHFFFAOYSA-N 1 2 333.432 2.984 10 5 EFBELO CCS(=O)(=O)C1(CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000596520139 479325804 /nfs/dbraw/zinc/32/58/04/479325804.db2.gz CUMAPOBZIQMXOT-UHFFFAOYSA-N 1 2 335.385 2.522 10 5 EFBELO Cc1nccc([C@@H]2CCC[N@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)n1 ZINC000611262800 479328663 /nfs/dbraw/zinc/32/86/63/479328663.db2.gz ASTSXOHTDMYYLA-CYBMUJFWSA-N 1 2 328.372 2.778 10 5 EFBELO Cc1nccc([C@@H]2CCC[N@@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)n1 ZINC000611262800 479328668 /nfs/dbraw/zinc/32/86/68/479328668.db2.gz ASTSXOHTDMYYLA-CYBMUJFWSA-N 1 2 328.372 2.778 10 5 EFBELO Cc1cc(N2CC[C@@H]3COC[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000596528164 479328819 /nfs/dbraw/zinc/32/88/19/479328819.db2.gz MESVWVSZIQTXTH-CABCVRRESA-N 1 2 340.383 2.833 10 5 EFBELO Cn1ncc2c1CC(C)(C)C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C2 ZINC000596599051 479354060 /nfs/dbraw/zinc/35/40/60/479354060.db2.gz ROMLGHDJEJREIT-UHFFFAOYSA-N 1 2 330.388 2.618 10 5 EFBELO Cn1ncc2c1CC(C)(C)C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C2 ZINC000596599051 479354065 /nfs/dbraw/zinc/35/40/65/479354065.db2.gz ROMLGHDJEJREIT-UHFFFAOYSA-N 1 2 330.388 2.618 10 5 EFBELO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000599632446 479361881 /nfs/dbraw/zinc/36/18/81/479361881.db2.gz NXKWQAVGCDITFQ-BHVCSQLQSA-N 1 2 328.821 2.734 10 5 EFBELO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000599632446 479361884 /nfs/dbraw/zinc/36/18/84/479361884.db2.gz NXKWQAVGCDITFQ-BHVCSQLQSA-N 1 2 328.821 2.734 10 5 EFBELO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c(Cl)c1 ZINC000599633121 479362336 /nfs/dbraw/zinc/36/23/36/479362336.db2.gz ADBSFTLATANPQE-RRMDADRESA-N 1 2 328.821 2.734 10 5 EFBELO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c(Cl)c1 ZINC000599633121 479362340 /nfs/dbraw/zinc/36/23/40/479362340.db2.gz ADBSFTLATANPQE-RRMDADRESA-N 1 2 328.821 2.734 10 5 EFBELO CC(=O)c1ccc(N[C@H]2C[C@@H]([NH+]3CCOCC3)C2(C)C)c([N+](=O)[O-])c1 ZINC000603401162 479371937 /nfs/dbraw/zinc/37/19/37/479371937.db2.gz ZZXJQGKVUABCLI-DLBZAZTESA-N 1 2 347.415 2.709 10 5 EFBELO Cc1ccc(C2CCN(c3cc(N)c([N+](=O)[O-])c(CO)c3)CC2)c[nH+]1 ZINC000588015263 479384585 /nfs/dbraw/zinc/38/45/85/479384585.db2.gz ZXEBGFQILUEFSR-UHFFFAOYSA-N 1 2 342.399 2.757 10 5 EFBELO COC[C@@]1(C)C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)CCO1 ZINC000599693000 479393913 /nfs/dbraw/zinc/39/39/13/479393913.db2.gz NBOKONQZFGLCBL-QGZVFWFLSA-N 1 2 338.404 2.619 10 5 EFBELO COC[C@@]1(C)C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)CCO1 ZINC000599693000 479393919 /nfs/dbraw/zinc/39/39/19/479393919.db2.gz NBOKONQZFGLCBL-QGZVFWFLSA-N 1 2 338.404 2.619 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000611579053 479423613 /nfs/dbraw/zinc/42/36/13/479423613.db2.gz HHCYGWLVQKYRAY-LBPRGKRZSA-N 1 2 343.330 2.545 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000611579053 479423614 /nfs/dbraw/zinc/42/36/14/479423614.db2.gz HHCYGWLVQKYRAY-LBPRGKRZSA-N 1 2 343.330 2.545 10 5 EFBELO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC12CCCC2 ZINC000593758164 479450298 /nfs/dbraw/zinc/45/02/98/479450298.db2.gz SASXQPGOFNZYGH-UHFFFAOYSA-N 1 2 326.356 2.939 10 5 EFBELO C[C@H](NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1[nH+]ccn1C ZINC000596930724 479492290 /nfs/dbraw/zinc/49/22/90/479492290.db2.gz DQBNCFUNMCEOLB-LBPRGKRZSA-N 1 2 343.387 2.764 10 5 EFBELO Cc1cn2c([nH+]1)CN(C(=O)c1cc3cc([N+](=O)[O-])ccc3o1)CC2 ZINC000611892975 479516785 /nfs/dbraw/zinc/51/67/85/479516785.db2.gz JNWHIHUAFWYJGA-UHFFFAOYSA-N 1 2 326.312 2.502 10 5 EFBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)Cc2cnc(C)s2)c1 ZINC000589497366 479533277 /nfs/dbraw/zinc/53/32/77/479533277.db2.gz QPZIOQHVMZZNCA-UHFFFAOYSA-N 1 2 335.385 2.778 10 5 EFBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)Cc2cnc(C)s2)c1 ZINC000589497366 479533281 /nfs/dbraw/zinc/53/32/81/479533281.db2.gz QPZIOQHVMZZNCA-UHFFFAOYSA-N 1 2 335.385 2.778 10 5 EFBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@H](OC(F)F)C2)c1 ZINC000589510476 479535217 /nfs/dbraw/zinc/53/52/17/479535217.db2.gz FSTNMXPPUDBSCA-LBPRGKRZSA-N 1 2 344.314 2.585 10 5 EFBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@H](OC(F)F)C2)c1 ZINC000589510476 479535225 /nfs/dbraw/zinc/53/52/25/479535225.db2.gz FSTNMXPPUDBSCA-LBPRGKRZSA-N 1 2 344.314 2.585 10 5 EFBELO CCn1ccc(C[N@H+](C)Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])c1 ZINC000589514010 479535826 /nfs/dbraw/zinc/53/58/26/479535826.db2.gz XCCHOPDRCCXPHD-UHFFFAOYSA-N 1 2 331.372 2.835 10 5 EFBELO CCn1ccc(C[N@@H+](C)Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])c1 ZINC000589514010 479535832 /nfs/dbraw/zinc/53/58/32/479535832.db2.gz XCCHOPDRCCXPHD-UHFFFAOYSA-N 1 2 331.372 2.835 10 5 EFBELO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000614937042 479552102 /nfs/dbraw/zinc/55/21/02/479552102.db2.gz AYEYCTHXJJZUNM-CYBMUJFWSA-N 1 2 345.359 2.669 10 5 EFBELO C[C@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC2(CCCCC2)O1 ZINC000594057542 479571525 /nfs/dbraw/zinc/57/15/25/479571525.db2.gz HFVVFGILGSGTOW-ZDUSSCGKSA-N 1 2 347.415 2.617 10 5 EFBELO C[C@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC2(CCCCC2)O1 ZINC000594057542 479571529 /nfs/dbraw/zinc/57/15/29/479571529.db2.gz HFVVFGILGSGTOW-ZDUSSCGKSA-N 1 2 347.415 2.617 10 5 EFBELO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000597281222 479655717 /nfs/dbraw/zinc/65/57/17/479655717.db2.gz IGXLEGNTIFSUNS-AWEZNQCLSA-N 1 2 342.399 2.562 10 5 EFBELO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000597281222 479655721 /nfs/dbraw/zinc/65/57/21/479655721.db2.gz IGXLEGNTIFSUNS-AWEZNQCLSA-N 1 2 342.399 2.562 10 5 EFBELO O=C(C[N@@H+]1CCC[C@@H](c2ccccn2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000590601754 479668086 /nfs/dbraw/zinc/66/80/86/479668086.db2.gz PXWGPHKQRCNDBJ-CQSZACIVSA-N 1 2 340.383 2.808 10 5 EFBELO O=C(C[N@H+]1CCC[C@@H](c2ccccn2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000590601754 479668091 /nfs/dbraw/zinc/66/80/91/479668091.db2.gz PXWGPHKQRCNDBJ-CQSZACIVSA-N 1 2 340.383 2.808 10 5 EFBELO CCC(CC)C(=O)N1CC[NH+](Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000612577301 479698923 /nfs/dbraw/zinc/69/89/23/479698923.db2.gz UZYAQMWGLHHDJM-UHFFFAOYSA-N 1 2 333.432 2.984 10 5 EFBELO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccc3[nH+]ccn3c2)c1 ZINC000612617663 479711777 /nfs/dbraw/zinc/71/17/77/479711777.db2.gz WCSWDSSUKHVRAS-UHFFFAOYSA-N 1 2 346.368 2.660 10 5 EFBELO O=C(Nc1ccc2[nH+]ccn2c1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000609622986 480188655 /nfs/dbraw/zinc/18/86/55/480188655.db2.gz AXKIDACQRZRYBI-UHFFFAOYSA-N 1 2 348.322 2.681 10 5 EFBELO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609875858 480215158 /nfs/dbraw/zinc/21/51/58/480215158.db2.gz FUEAURBJKPQFRM-CYBMUJFWSA-N 1 2 334.763 2.922 10 5 EFBELO Cc1cn2cc(NC(=O)NCCc3ccc([N+](=O)[O-])cc3)ccc2[nH+]1 ZINC000610018617 480229827 /nfs/dbraw/zinc/22/98/27/480229827.db2.gz HZGCOIYIUNJWRB-UHFFFAOYSA-N 1 2 339.355 2.915 10 5 EFBELO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc3[nH+]ccn3c2)c1C ZINC000610032062 480230452 /nfs/dbraw/zinc/23/04/52/480230452.db2.gz AZNUGLAYQVJMHX-UHFFFAOYSA-N 1 2 346.368 2.660 10 5 EFBELO CC(C)Cn1cc[nH+]c1CNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000130872213 519522535 /nfs/dbraw/zinc/52/25/35/519522535.db2.gz QDITUBNMRSCJRC-UHFFFAOYSA-N 1 2 348.428 2.856 10 5 EFBELO CCOc1ccc(C(=O)NCCCNc2cccc[nH+]2)cc1[N+](=O)[O-] ZINC000118724423 520910038 /nfs/dbraw/zinc/91/00/38/520910038.db2.gz QDVAAHKNVFMDRJ-UHFFFAOYSA-N 1 2 344.371 2.621 10 5 EFBELO Cc1nccc(N2CC[NH+](C/C=C/c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000184766239 534756373 /nfs/dbraw/zinc/75/63/73/534756373.db2.gz KFHJARHIGOHTNA-GQCTYLIASA-N 1 2 339.399 2.529 10 5 EFBELO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000195506354 524260294 /nfs/dbraw/zinc/26/02/94/524260294.db2.gz RBTPCJNEDRBMOK-LBPRGKRZSA-N 1 2 343.387 2.525 10 5 EFBELO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCc1ccc[nH+]c1N(C)C ZINC000179424215 524335750 /nfs/dbraw/zinc/33/57/50/524335750.db2.gz AQDJMOVVMPOVAX-UHFFFAOYSA-N 1 2 342.399 2.911 10 5 EFBELO Cc1cccc([N+](=O)[O-])c1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000192667548 524904875 /nfs/dbraw/zinc/90/48/75/524904875.db2.gz RHECKTVYPIVPOD-UHFFFAOYSA-N 1 2 340.383 2.697 10 5 EFBELO Cc1sc(C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000120322009 526872040 /nfs/dbraw/zinc/87/20/40/526872040.db2.gz XXWGDUNAQMYVSZ-GFCCVEGCSA-N 1 2 348.428 2.793 10 5 EFBELO NC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000119761826 526983122 /nfs/dbraw/zinc/98/31/22/526983122.db2.gz HEKULHXCERYSSD-YXOJNZSOSA-N 1 2 337.379 2.520 10 5 EFBELO NC(=O)[C@@H]1Cc2ccccc2C[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000119761826 526983125 /nfs/dbraw/zinc/98/31/25/526983125.db2.gz HEKULHXCERYSSD-YXOJNZSOSA-N 1 2 337.379 2.520 10 5 EFBELO COc1cc(C[N@@H+]2CCCN(CC(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000351971107 536749932 /nfs/dbraw/zinc/74/99/32/536749932.db2.gz OUMZZHDGKYMLJZ-UHFFFAOYSA-N 1 2 347.337 2.673 10 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ZINC000754218577 575406952 /nfs/dbraw/zinc/40/69/52/575406952.db2.gz KRSBIINNVTVLEG-MRXNPFEDSA-N 1 2 333.775 2.735 10 5 EFBELO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](C[C@@H](O)c1ccc(Cl)cc1)CC2 ZINC000754218577 575406953 /nfs/dbraw/zinc/40/69/53/575406953.db2.gz KRSBIINNVTVLEG-MRXNPFEDSA-N 1 2 333.775 2.735 10 5 EFBELO CCOc1cc(COC(=O)CCc2ccc(N)[nH+]c2)ccc1[N+](=O)[O-] ZINC000755551497 575601280 /nfs/dbraw/zinc/60/12/80/575601280.db2.gz QAAYWFFQRKNSBW-UHFFFAOYSA-N 1 2 345.355 2.647 10 5 EFBELO CN(C)c1cc(COC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)cc[nH+]1 ZINC000755884868 575649035 /nfs/dbraw/zinc/64/90/35/575649035.db2.gz JMMOJNZYHTURRH-UHFFFAOYSA-N 1 2 340.339 2.894 10 5 EFBELO CCOc1ccc(C(=O)OCc2cccc3[nH+]ccn32)cc1[N+](=O)[O-] ZINC000770921196 581151079 /nfs/dbraw/zinc/15/10/79/581151079.db2.gz NHFCMFLBNWHCAO-UHFFFAOYSA-N 1 2 341.323 2.998 10 5 EFBELO Cc1ccc(COC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)c(C)[nH+]1 ZINC000771901791 581256944 /nfs/dbraw/zinc/25/69/44/581256944.db2.gz JQWWBGKOWZLDMF-UHFFFAOYSA-N 1 2 330.296 2.692 10 5 EFBELO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000733880994 1265461823 /nfs/dbraw/zinc/46/18/23/1265461823.db2.gz MVPKQIWCWPUHPN-UHFFFAOYSA-N 1 2 325.328 2.561 10 5 EFBELO CC1(C(=O)NCC2=CC[N@H+](Cc3csc([N+](=O)[O-])c3)CC2)CC1 ZINC001486509214 1263281337 /nfs/dbraw/zinc/28/13/37/1263281337.db2.gz IKKTYPZPINFDTG-UHFFFAOYSA-N 1 2 335.429 2.705 10 5 EFBELO CC1(C(=O)NCC2=CC[N@@H+](Cc3csc([N+](=O)[O-])c3)CC2)CC1 ZINC001486509214 1263281344 /nfs/dbraw/zinc/28/13/44/1263281344.db2.gz IKKTYPZPINFDTG-UHFFFAOYSA-N 1 2 335.429 2.705 10 5 EFBELO O=C(CCCF)NCC1=CC[N@H+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001486513597 1263295788 /nfs/dbraw/zinc/29/57/88/1263295788.db2.gz OIHXQKVJYGXRPT-UHFFFAOYSA-N 1 2 341.408 2.654 10 5 EFBELO O=C(CCCF)NCC1=CC[N@@H+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001486513597 1263295800 /nfs/dbraw/zinc/29/58/00/1263295800.db2.gz OIHXQKVJYGXRPT-UHFFFAOYSA-N 1 2 341.408 2.654 10 5 EFBELO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844440301 1279008696 /nfs/dbraw/zinc/00/86/96/1279008696.db2.gz REDNUQLPELLLBC-HNNXBMFYSA-N 1 2 339.342 2.963 10 5 EFBELO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844440301 1279008702 /nfs/dbraw/zinc/00/87/02/1279008702.db2.gz REDNUQLPELLLBC-HNNXBMFYSA-N 1 2 339.342 2.963 10 5 EFBELO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844440306 1279008859 /nfs/dbraw/zinc/00/88/59/1279008859.db2.gz REDNUQLPELLLBC-OAHLLOKOSA-N 1 2 339.342 2.963 10 5 EFBELO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844440306 1279008864 /nfs/dbraw/zinc/00/88/64/1279008864.db2.gz REDNUQLPELLLBC-OAHLLOKOSA-N 1 2 339.342 2.963 10 5 EFBELO CC[C@@H](C(=O)OC(C)(C)C)[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000844473202 1279029082 /nfs/dbraw/zinc/02/90/82/1279029082.db2.gz HIXFPCBIYJMSHM-GJZGRUSLSA-N 1 2 338.404 2.680 10 5 EFBELO CC[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000844473202 1279029086 /nfs/dbraw/zinc/02/90/86/1279029086.db2.gz HIXFPCBIYJMSHM-GJZGRUSLSA-N 1 2 338.404 2.680 10 5 EFBELO C[C@H](Nc1ccc(N(C)CCO)c[nH+]1)c1c(F)cccc1[N+](=O)[O-] ZINC000872054823 1287413409 /nfs/dbraw/zinc/41/34/09/1287413409.db2.gz BYDHEEUFESJFBE-NSHDSACASA-N 1 2 334.351 2.731 10 5 EFBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@H]([C@@H]2COC(C)(C)O2)C1 ZINC000872099713 1287427914 /nfs/dbraw/zinc/42/79/14/1287427914.db2.gz QMVKHTWFZKDTIZ-RCBQFDQVSA-N 1 2 336.388 2.508 10 5 EFBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@H]([C@@H]2COC(C)(C)O2)C1 ZINC000872099713 1287427917 /nfs/dbraw/zinc/42/79/17/1287427917.db2.gz QMVKHTWFZKDTIZ-RCBQFDQVSA-N 1 2 336.388 2.508 10 5 EFBELO CCOC(C[N@H+](CC)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)OCC ZINC000846976588 1280691955 /nfs/dbraw/zinc/69/19/55/1280691955.db2.gz QGANOWCBTDDQBJ-UHFFFAOYSA-N 1 2 336.392 2.692 10 5 EFBELO CCOC(C[N@@H+](CC)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)OCC ZINC000846976588 1280691961 /nfs/dbraw/zinc/69/19/61/1280691961.db2.gz QGANOWCBTDDQBJ-UHFFFAOYSA-N 1 2 336.392 2.692 10 5 EFBELO COC(=O)C[C@@](C)([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])c1ccncc1 ZINC000809566363 1282284338 /nfs/dbraw/zinc/28/43/38/1282284338.db2.gz GAXJJKJNWQHUNJ-QGZVFWFLSA-N 1 2 347.346 2.697 10 5 EFBELO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809942177 1282635560 /nfs/dbraw/zinc/63/55/60/1282635560.db2.gz FQDUJOXHBVUZEY-DTWKUNHWSA-N 1 2 346.214 2.987 10 5 EFBELO C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809942177 1282635573 /nfs/dbraw/zinc/63/55/73/1282635573.db2.gz FQDUJOXHBVUZEY-DTWKUNHWSA-N 1 2 346.214 2.987 10 5 EFBELO C[C@@H]([NH2+][C@@H](C)c1nnnn1-c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC001176030115 1287663410 /nfs/dbraw/zinc/66/34/10/1287663410.db2.gz YQZBRJDVBCYYTM-OLZOCXBDSA-N 1 2 338.371 2.982 10 5 EFBELO Cc1nnc(N2CC[NH+]([C@H](C)c3ccccc3[N+](=O)[O-])CC2)s1 ZINC001176287135 1287924884 /nfs/dbraw/zinc/92/48/84/1287924884.db2.gz CZBSVDMOMUABKI-LLVKDONJSA-N 1 2 333.417 2.638 10 5 EFBELO O=[N+]([O-])c1cccc(-c2cnn(Cc3[nH+]ccn3CC(F)F)c2)c1 ZINC001165926247 1312705523 /nfs/dbraw/zinc/70/55/23/1312705523.db2.gz SISBRJLNBNVBHU-UHFFFAOYSA-N 1 2 333.298 2.968 10 5 EFBELO O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3noc(C4CC4)n3)CC2)cc1 ZINC000824321801 1289605382 /nfs/dbraw/zinc/60/53/82/1289605382.db2.gz WQQLOYOKGZCOHI-UHFFFAOYSA-N 1 2 343.387 2.614 10 5 EFBELO O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000825726993 1290262379 /nfs/dbraw/zinc/26/23/79/1290262379.db2.gz DZHGPLOZEOVVLU-LBPRGKRZSA-N 1 2 334.763 2.922 10 5 EFBELO Cc1cc(F)cc(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000126482810 1291216898 /nfs/dbraw/zinc/21/68/98/1291216898.db2.gz GTQZQIOWZPFZGC-IAQYHMDHSA-N 1 2 346.362 2.962 10 5 EFBELO CC[C@H]([NH2+][C@H](C)c1nc(-c2nc[nH]n2)no1)c1cccc([N+](=O)[O-])c1 ZINC001192801193 1293052760 /nfs/dbraw/zinc/05/27/60/1293052760.db2.gz DVKXTALPXWUEKB-SKDRFNHKSA-N 1 2 343.347 2.565 10 5 EFBELO Nc1c(Cl)cc(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1[N+](=O)[O-] ZINC001137203412 1293995851 /nfs/dbraw/zinc/99/58/51/1293995851.db2.gz XMMXUSGUHTXONV-UHFFFAOYSA-N 1 2 349.778 2.573 10 5 EFBELO Nc1c(Cl)cc(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1[N+](=O)[O-] ZINC001137203412 1293995858 /nfs/dbraw/zinc/99/58/58/1293995858.db2.gz XMMXUSGUHTXONV-UHFFFAOYSA-N 1 2 349.778 2.573 10 5 EFBELO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCCC[C@H]1[C@@H]1CCCO1 ZINC001198686766 1295201790 /nfs/dbraw/zinc/20/17/90/1295201790.db2.gz XNPKXPVBNREFGR-HOCLYGCPSA-N 1 2 347.415 2.875 10 5 EFBELO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCCC[C@H]1[C@@H]1CCCO1 ZINC001198686766 1295201803 /nfs/dbraw/zinc/20/18/03/1295201803.db2.gz XNPKXPVBNREFGR-HOCLYGCPSA-N 1 2 347.415 2.875 10 5 EFBELO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCc2cc(O)ccc2C1 ZINC001198830835 1295256368 /nfs/dbraw/zinc/25/63/68/1295256368.db2.gz XSUMIANYNCBIEP-GFCCVEGCSA-N 1 2 341.367 2.686 10 5 EFBELO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCc2cc(O)ccc2C1 ZINC001198830835 1295256375 /nfs/dbraw/zinc/25/63/75/1295256375.db2.gz XSUMIANYNCBIEP-GFCCVEGCSA-N 1 2 341.367 2.686 10 5 EFBELO CC1([NH+]2CCCC2)CCC(NC(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000928008154 1297061385 /nfs/dbraw/zinc/06/13/85/1297061385.db2.gz BTNTVYHWXBIEPR-UHFFFAOYSA-N 1 2 347.415 2.827 10 5 EFBELO O=[N+]([O-])c1cn(C[N@@H+]2CCC[C@]3(CC3(F)F)C2)nc1-c1ccccn1 ZINC000853519862 1300145760 /nfs/dbraw/zinc/14/57/60/1300145760.db2.gz UIQVZLQXNCYARQ-HNNXBMFYSA-N 1 2 349.341 2.932 10 5 EFBELO O=[N+]([O-])c1cn(C[N@H+]2CCC[C@]3(CC3(F)F)C2)nc1-c1ccccn1 ZINC000853519862 1300145762 /nfs/dbraw/zinc/14/57/62/1300145762.db2.gz UIQVZLQXNCYARQ-HNNXBMFYSA-N 1 2 349.341 2.932 10 5 EFBELO Cc1ccc(N2CCc3[nH+]c[nH]c3C2)c([N+](=O)[O-])c1Br ZINC000853637168 1300207096 /nfs/dbraw/zinc/20/70/96/1300207096.db2.gz PDTVFYPRGLNSNV-UHFFFAOYSA-N 1 2 337.177 2.952 10 5 EFBELO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)c1 ZINC000859884716 1301618931 /nfs/dbraw/zinc/61/89/31/1301618931.db2.gz OTHSRVLEZDFGQI-BHVCSQLQSA-N 1 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CN(Cc1ccc(N)[nH+]c1)c1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC001162994860 1312221015 /nfs/dbraw/zinc/22/10/15/1312221015.db2.gz NXWYJQLQYHZXOU-UHFFFAOYSA-N 1 2 327.266 2.622 10 5 EFBELO CCOC(=O)c1cc([N+](=O)[O-])c(NCc2ccc(N)[nH+]c2)cc1C ZINC001163076504 1312236587 /nfs/dbraw/zinc/23/65/87/1312236587.db2.gz SPNCHZDMKJMMMN-UHFFFAOYSA-N 1 2 330.344 2.669 10 5 EFBELO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NCc1ccc[nH+]c1N ZINC001163327167 1312290030 /nfs/dbraw/zinc/29/00/30/1312290030.db2.gz PZPQXFDQRKQEPR-UHFFFAOYSA-N 1 2 336.735 2.624 10 5 EFBELO Cn1ccnc1[C@H]([NH2+][C@@H]1CCO[C@H]1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000903259532 1312514695 /nfs/dbraw/zinc/51/46/95/1312514695.db2.gz FHXVFFMQXSZIPS-ZACQAIPSSA-N 1 2 342.399 2.575 10 5 EFBELO CCNc1cc(CNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])cc[nH+]1 ZINC001251148253 1315325484 /nfs/dbraw/zinc/32/54/84/1315325484.db2.gz YJACUJGFACTIRG-UHFFFAOYSA-N 1 2 343.387 2.763 10 5 EFBELO CCn1c[nH+]cc1COC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC001263662598 1316554322 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2.650 10 5 EFBELO Nc1[nH+]cccc1CNc1c2cccc(Cl)c2ncc1[N+](=O)[O-] ZINC001559192830 1415228604 /nfs/dbraw/zinc/22/86/04/1415228604.db2.gz KLXJNIIIUZNWFK-UHFFFAOYSA-N 1 2 329.747 2.808 10 5 EFBELO CC(C)Oc1nc(NCc2[nH]c3c([nH+]2)CCCC3)ccc1[N+](=O)[O-] ZINC001559288139 1415237598 /nfs/dbraw/zinc/23/75/98/1415237598.db2.gz QKHNAGUIPITPHN-UHFFFAOYSA-N 1 2 331.376 2.991 10 5 EFBELO CNc1cc(CNC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc[nH+]1 ZINC001565342726 1415394624 /nfs/dbraw/zinc/39/46/24/1415394624.db2.gz MNWCHAMWZHCCBS-NSHDSACASA-N 1 2 329.360 2.592 10 5 EFBELO CC(C)=C(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3csc([N+](=O)[O-])c3)C[C@H]21 ZINC001566974621 1415884056 /nfs/dbraw/zinc/88/40/56/1415884056.db2.gz NJLYVNIRLVDHMH-HALDLXJZSA-N 1 2 349.456 2.949 10 5 EFBELO CC(C)=C(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3csc([N+](=O)[O-])c3)C[C@H]21 ZINC001566974621 1415884058 /nfs/dbraw/zinc/88/40/58/1415884058.db2.gz NJLYVNIRLVDHMH-HALDLXJZSA-N 1 2 349.456 2.949 10 5 EFBELO C[C@H]1[C@@H](O)CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Br ZINC000930623116 720129834 /nfs/dbraw/zinc/12/98/34/720129834.db2.gz BXAYITUICGOMNJ-ZANVPECISA-N 1 2 329.194 2.703 10 5 EFBELO C[C@H]1[C@@H](O)CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Br ZINC000930623116 720129837 /nfs/dbraw/zinc/12/98/37/720129837.db2.gz BXAYITUICGOMNJ-ZANVPECISA-N 1 2 329.194 2.703 10 5 EFBELO C[C@@H](c1ccccc1Cl)[NH+]1CCN(Cn2nccc2[N+](=O)[O-])CC1 ZINC000054453691 726241548 /nfs/dbraw/zinc/24/15/48/726241548.db2.gz UFYVYSVOGBDHTK-ZDUSSCGKSA-N 1 2 349.822 2.781 10 5 EFBELO O=[N+]([O-])c1ccc(C[NH+]2CCC(c3ncco3)CC2)c([N+](=O)[O-])c1 ZINC001647977757 1089923701 /nfs/dbraw/zinc/92/37/01/1089923701.db2.gz KKDYXSKSQFPXCY-UHFFFAOYSA-N 1 2 332.316 2.871 10 5 EFBELO O=C(c1cccc2[nH+]ccn21)N1CCc2c1ccc([N+](=O)[O-])c2F ZINC001583361066 1091977631 /nfs/dbraw/zinc/97/76/31/1091977631.db2.gz PXOWDBZBKPXKPR-UHFFFAOYSA-N 1 2 326.287 2.585 10 5 EFBELO CCNc1ccc(C(=O)Nc2ccn3cc[nH+]c3c2)cc1[N+](=O)[O-] ZINC001584330967 1092146500 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O=C(NCc1ccn2cc[nH+]c2c1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001622735933 1099540346 /nfs/dbraw/zinc/54/03/46/1099540346.db2.gz XKIFMCLLYNTRCK-HOTGVXAUSA-N 1 2 336.351 2.662 10 5 EFBELO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC001626484286 1099881788 /nfs/dbraw/zinc/88/17/88/1099881788.db2.gz DKNKSWJGKVOQSY-LBPRGKRZSA-N 1 2 346.362 2.796 10 5 EFBELO Cc1cc(NC(=O)c2cc([N+](=O)[O-])cn2C)ccc1-n1cc[nH+]c1 ZINC001628097033 1100062625 /nfs/dbraw/zinc/06/26/25/1100062625.db2.gz PEIOACKAIMYENZ-UHFFFAOYSA-N 1 2 325.328 2.680 10 5 EFBELO O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001629465576 1100213648 /nfs/dbraw/zinc/21/36/48/1100213648.db2.gz FFIDYAXRACFSLH-UHFFFAOYSA-N 1 2 334.763 2.991 10 5 EFBELO O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCC(c2c[nH+]c[nH]2)CC1 ZINC001629465576 1100213655 /nfs/dbraw/zinc/21/36/55/1100213655.db2.gz FFIDYAXRACFSLH-UHFFFAOYSA-N 1 2 334.763 2.991 10 5 EFBELO CN(CCCNC(=O)c1cccc(Cl)c1[N+](=O)[O-])c1cccc[nH+]1 ZINC001633060938 1100519045 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COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCc1[nH]c2c([nH+]1)CCCC2 ZINC001651452306 1101332492 /nfs/dbraw/zinc/33/24/92/1101332492.db2.gz WQZJGIJHXXYTLY-UHFFFAOYSA-N 1 2 344.371 2.904 10 5 EFBELO Cc1[nH]c([C@H]2CCCN2C(=O)Cc2ccccc2[N+](=O)[O-])[nH+]c1C ZINC001651893032 1101401464 /nfs/dbraw/zinc/40/14/64/1101401464.db2.gz RTXDBLOOIXOQCE-OAHLLOKOSA-N 1 2 328.372 2.841 10 5 EFBELO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NCc1ccn2cc[nH+]c2c1 ZINC001655261229 1101799298 /nfs/dbraw/zinc/79/92/98/1101799298.db2.gz VTEDLBFAILGYPM-UHFFFAOYSA-N 1 2 340.265 2.607 10 5 EFBELO O=[N+]([O-])c1ccc(CCN2CC[NH+](Cc3ccc(O)cc3)CC2)cc1 ZINC001659865293 1102574675 /nfs/dbraw/zinc/57/46/75/1102574675.db2.gz FDALODKYUPAKDW-UHFFFAOYSA-N 1 2 341.411 2.661 10 5 EFBELO COCC[N@H+](CCF)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000697074501 1103259872 /nfs/dbraw/zinc/25/98/72/1103259872.db2.gz IYLQLPAYJIZWKF-UHFFFAOYSA-N 1 2 335.173 2.775 10 5 EFBELO COCC[N@@H+](CCF)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000697074501 1103259886 /nfs/dbraw/zinc/25/98/86/1103259886.db2.gz IYLQLPAYJIZWKF-UHFFFAOYSA-N 1 2 335.173 2.775 10 5 EFBELO Cc1nn(C[N@@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)c(C)c1[N+](=O)[O-] ZINC000905679538 1103494771 /nfs/dbraw/zinc/49/47/71/1103494771.db2.gz XJJCJQLNMQHUMT-NSHDSACASA-N 1 2 336.289 2.732 10 5 EFBELO Cc1nn(C[N@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)c(C)c1[N+](=O)[O-] ZINC000905679538 1103494781 /nfs/dbraw/zinc/49/47/81/1103494781.db2.gz XJJCJQLNMQHUMT-NSHDSACASA-N 1 2 336.289 2.732 10 5 EFBELO Cc1nc([N+](=O)[O-])c(NCc2ccc[nH+]c2N2CCCCC2)n1C ZINC000103730182 219322310 /nfs/dbraw/zinc/32/23/10/219322310.db2.gz GZYAUKRFCGJDNK-UHFFFAOYSA-N 1 2 330.392 2.634 10 5 EFBELO C[C@@H]1CN(c2ccc(CNc3ncc([N+](=O)[O-])s3)c[nH+]2)C[C@H](C)O1 ZINC000195508997 240227324 /nfs/dbraw/zinc/22/73/24/240227324.db2.gz DIJNUURPQRNRNR-PHIMTYICSA-N 1 2 349.416 2.672 10 5 EFBELO Cc1cc(CN2CC[NH+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)on1 ZINC000022254816 212286264 /nfs/dbraw/zinc/28/62/64/212286264.db2.gz SBIORVMRIFMWJZ-AWEZNQCLSA-N 1 2 330.388 2.770 10 5 EFBELO Cc1cc(C[NH+]2CCN([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)on1 ZINC000022254816 212286267 /nfs/dbraw/zinc/28/62/67/212286267.db2.gz SBIORVMRIFMWJZ-AWEZNQCLSA-N 1 2 330.388 2.770 10 5 EFBELO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ncc(Br)cn1 ZINC000432993269 248007169 /nfs/dbraw/zinc/00/71/69/248007169.db2.gz LEWXNSNTJMRWAA-VIFPVBQESA-N 1 2 337.177 2.998 10 5 EFBELO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000434285551 248139509 /nfs/dbraw/zinc/13/95/09/248139509.db2.gz FPHPGPCUOYUSJL-UHFFFAOYSA-N 1 2 346.412 2.816 10 5 EFBELO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000434285551 248139513 /nfs/dbraw/zinc/13/95/13/248139513.db2.gz FPHPGPCUOYUSJL-UHFFFAOYSA-N 1 2 346.412 2.816 10 5 EFBELO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](Cc1nccn1-c1ccccc1)CC2 ZINC000444679561 250327617 /nfs/dbraw/zinc/32/76/17/250327617.db2.gz MYQKFMOZSSJHHM-UHFFFAOYSA-N 1 2 335.367 2.734 10 5 EFBELO O=[N+]([O-])c1cnc2c(c1)C[N@H+](Cc1nccn1-c1ccccc1)CC2 ZINC000444679561 250327620 /nfs/dbraw/zinc/32/76/20/250327620.db2.gz MYQKFMOZSSJHHM-UHFFFAOYSA-N 1 2 335.367 2.734 10 5 EFBELO C[C@H](Cn1cc[nH+]c1)NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000444861726 250359303 /nfs/dbraw/zinc/35/93/03/250359303.db2.gz UUXKVPOXSGONDB-CYBMUJFWSA-N 1 2 346.390 2.696 10 5 EFBELO C[C@@H]1C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@H](C)[C@H](C)O1 ZINC000446070031 250460268 /nfs/dbraw/zinc/46/02/68/250460268.db2.gz JAYZUCHSWLTKSA-UTUOFQBUSA-N 1 2 332.360 2.643 10 5 EFBELO C[C@@H]1C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@H](C)[C@H](C)O1 ZINC000446070031 250460270 /nfs/dbraw/zinc/46/02/70/250460270.db2.gz JAYZUCHSWLTKSA-UTUOFQBUSA-N 1 2 332.360 2.643 10 5 EFBELO CCc1ccc(NC(=O)N(C)CCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000095426817 218369065 /nfs/dbraw/zinc/36/90/65/218369065.db2.gz IJEPDWRQBUJDPR-UHFFFAOYSA-N 1 2 331.376 2.908 10 5 EFBELO COc1ccc(N2CC[NH+](Cc3ccc(C)c([N+](=O)[O-])c3)CC2)nc1 ZINC000449764935 251148171 /nfs/dbraw/zinc/14/81/71/251148171.db2.gz FKNOAESNSHNEMK-UHFFFAOYSA-N 1 2 342.399 2.629 10 5 EFBELO O=[N+]([O-])c1ccc(C[N@H+]2CCOC[C@@H]2C[C@H](O)c2ccco2)cc1 ZINC000268622304 252075499 /nfs/dbraw/zinc/07/54/99/252075499.db2.gz BTAFHQKHJYCIEX-HOTGVXAUSA-N 1 2 332.356 2.512 10 5 EFBELO O=[N+]([O-])c1ccc(C[N@@H+]2CCOC[C@@H]2C[C@H](O)c2ccco2)cc1 ZINC000268622304 252075503 /nfs/dbraw/zinc/07/55/03/252075503.db2.gz BTAFHQKHJYCIEX-HOTGVXAUSA-N 1 2 332.356 2.512 10 5 EFBELO O=C1C[C@@H](c2ccccc2)[N@H+](Cc2ccc([N+](=O)[O-])cc2F)CCN1 ZINC000267027895 296345136 /nfs/dbraw/zinc/34/51/36/296345136.db2.gz LZLUENKEHHMDLY-KRWDZBQOSA-N 1 2 343.358 2.797 10 5 EFBELO O=C1C[C@@H](c2ccccc2)[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)CCN1 ZINC000267027895 296345137 /nfs/dbraw/zinc/34/51/37/296345137.db2.gz LZLUENKEHHMDLY-KRWDZBQOSA-N 1 2 343.358 2.797 10 5 EFBELO CO[C@H]1C[C@H](c2nc(C)no2)[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000190161389 533301875 /nfs/dbraw/zinc/30/18/75/533301875.db2.gz WQIPKJGZRAKYIF-ZCGHOXCVSA-N 1 2 344.371 2.761 10 5 EFBELO CO[C@H]1C[C@H](c2nc(C)no2)[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000190161389 533301878 /nfs/dbraw/zinc/30/18/78/533301878.db2.gz WQIPKJGZRAKYIF-ZCGHOXCVSA-N 1 2 344.371 2.761 10 5 EFBELO COC(=O)c1conc1C(C)(C)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000425376263 292033927 /nfs/dbraw/zinc/03/39/27/292033927.db2.gz WJXRPJFNYHLLFW-VURMDHGXSA-N 1 2 345.355 2.908 10 5 EFBELO C[C@@H]1CN(c2ccc(Nc3ccc([N+](=O)[O-])nc3)c[nH+]2)C[C@@H](C)O1 ZINC000344440996 142017208 /nfs/dbraw/zinc/01/72/08/142017208.db2.gz PKSYFLYSNZKEFS-VXGBXAGGSA-N 1 2 329.360 2.742 10 5 EFBELO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000346251634 142176610 /nfs/dbraw/zinc/17/66/10/142176610.db2.gz KMSVJXLSKMMJKH-GFCCVEGCSA-N 1 2 335.404 2.541 10 5 EFBELO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000346251634 142176611 /nfs/dbraw/zinc/17/66/11/142176611.db2.gz KMSVJXLSKMMJKH-GFCCVEGCSA-N 1 2 335.404 2.541 10 5 EFBELO C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000347802697 142274089 /nfs/dbraw/zinc/27/40/89/142274089.db2.gz XJMNEVWFWUTOTJ-MELADBBJSA-N 1 2 346.431 2.526 10 5 EFBELO C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000347802697 142274090 /nfs/dbraw/zinc/27/40/90/142274090.db2.gz XJMNEVWFWUTOTJ-MELADBBJSA-N 1 2 346.431 2.526 10 5 EFBELO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000349892684 142375144 /nfs/dbraw/zinc/37/51/44/142375144.db2.gz LVWCPOFZVXHFKW-CYBMUJFWSA-N 1 2 335.404 2.542 10 5 EFBELO C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000349892684 142375147 /nfs/dbraw/zinc/37/51/47/142375147.db2.gz LVWCPOFZVXHFKW-CYBMUJFWSA-N 1 2 335.404 2.542 10 5 EFBELO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000349900079 142375540 /nfs/dbraw/zinc/37/55/40/142375540.db2.gz ZWEKEHUZLIBMCO-OKILXGFUSA-N 1 2 349.431 2.788 10 5 EFBELO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000349900079 142375541 /nfs/dbraw/zinc/37/55/41/142375541.db2.gz ZWEKEHUZLIBMCO-OKILXGFUSA-N 1 2 349.431 2.788 10 5 EFBELO Cc1[nH+]c2ccccc2n1CCNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000338034728 143870926 /nfs/dbraw/zinc/87/09/26/143870926.db2.gz IQZULDLGNOXWSJ-UHFFFAOYSA-N 1 2 338.367 2.991 10 5 EFBELO COC(=O)c1cc(C)nc(Nc2ccc3c(c2)[nH+]cn3C)c1[N+](=O)[O-] ZINC000342817411 145200353 /nfs/dbraw/zinc/20/03/53/145200353.db2.gz OSLQELREOXTQOQ-UHFFFAOYSA-N 1 2 341.327 2.715 10 5 EFBELO Cc1cc[nH+]cc1N1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000342826259 145202672 /nfs/dbraw/zinc/20/26/72/145202672.db2.gz QAPSSAZCFLDSRW-UHFFFAOYSA-N 1 2 330.363 2.760 10 5 EFBELO COC(=O)c1ccc(C[NH2+]Cc2ccccc2[N+](=O)[O-])nc1C1CC1 ZINC000349132930 146057353 /nfs/dbraw/zinc/05/73/53/146057353.db2.gz STIZGZWXBCRJHG-UHFFFAOYSA-N 1 2 341.367 2.944 10 5 EFBELO COc1cc(CSc2[nH+]cnc3c2cnn3C)ccc1[N+](=O)[O-] ZINC000351826179 146211867 /nfs/dbraw/zinc/21/18/67/146211867.db2.gz FBDHVDJMHNBRIJ-UHFFFAOYSA-N 1 2 331.357 2.572 10 5 EFBELO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000351964131 146250417 /nfs/dbraw/zinc/25/04/17/146250417.db2.gz JUVBITMUDVEKDO-CYBMUJFWSA-N 1 2 335.404 2.685 10 5 EFBELO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000351964131 146250419 /nfs/dbraw/zinc/25/04/19/146250419.db2.gz JUVBITMUDVEKDO-CYBMUJFWSA-N 1 2 335.404 2.685 10 5 EFBELO Cc1cc[nH+]cc1N1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000359947365 148231300 /nfs/dbraw/zinc/23/13/00/148231300.db2.gz OWLZEZUXMADCNT-UHFFFAOYSA-N 1 2 338.371 2.501 10 5 EFBELO Cc1cc(N2CCCC[C@H]2C[NH+]2CCOCC2)c(F)cc1[N+](=O)[O-] ZINC000360048703 148260283 /nfs/dbraw/zinc/26/02/83/148260283.db2.gz XHHSVTPQXMKMMP-AWEZNQCLSA-N 1 2 337.395 2.733 10 5 EFBELO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000364414615 149144146 /nfs/dbraw/zinc/14/41/46/149144146.db2.gz FMEXBLRGVXFZOO-XHDPSFHLSA-N 1 2 344.371 2.817 10 5 EFBELO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000364414615 149144148 /nfs/dbraw/zinc/14/41/48/149144148.db2.gz FMEXBLRGVXFZOO-XHDPSFHLSA-N 1 2 344.371 2.817 10 5 EFBELO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000368110849 150039628 /nfs/dbraw/zinc/03/96/28/150039628.db2.gz FBTIGGNOKUBWJO-NSHDSACASA-N 1 2 329.360 2.614 10 5 EFBELO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000368110849 150039631 /nfs/dbraw/zinc/03/96/31/150039631.db2.gz FBTIGGNOKUBWJO-NSHDSACASA-N 1 2 329.360 2.614 10 5 EFBELO CC(=O)c1ccc([N+](=O)[O-])cc1NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000368108013 150039663 /nfs/dbraw/zinc/03/96/63/150039663.db2.gz IMQUVPFZBZYXJI-UHFFFAOYSA-N 1 2 337.339 2.990 10 5 EFBELO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000368110848 150040243 /nfs/dbraw/zinc/04/02/43/150040243.db2.gz FBTIGGNOKUBWJO-LLVKDONJSA-N 1 2 329.360 2.614 10 5 EFBELO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000368110848 150040247 /nfs/dbraw/zinc/04/02/47/150040247.db2.gz FBTIGGNOKUBWJO-LLVKDONJSA-N 1 2 329.360 2.614 10 5 EFBELO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000368871200 150226245 /nfs/dbraw/zinc/22/62/45/150226245.db2.gz WXXOSWQGKVPNNK-HNNXBMFYSA-N 1 2 342.399 2.711 10 5 EFBELO C[C@@H]1C[C@@]2(CCO1)C[N@@H+](Cc1csc([N+](=O)[O-])c1)C[C@H](C)O2 ZINC000374015536 151268199 /nfs/dbraw/zinc/26/81/99/151268199.db2.gz WBPWVEBFGKWLOT-XUJVJEKNSA-N 1 2 326.418 2.815 10 5 EFBELO C[C@@H]1C[C@@]2(CCO1)C[N@H+](Cc1csc([N+](=O)[O-])c1)C[C@H](C)O2 ZINC000374015536 151268200 /nfs/dbraw/zinc/26/82/00/151268200.db2.gz WBPWVEBFGKWLOT-XUJVJEKNSA-N 1 2 326.418 2.815 10 5 EFBELO CCc1nn(C)c(N2CCC(c3ccc(C)[nH+]c3)CC2)c1[N+](=O)[O-] ZINC000374677302 151394054 /nfs/dbraw/zinc/39/40/54/151394054.db2.gz IRUMWDGUAYUHFN-UHFFFAOYSA-N 1 2 329.404 2.978 10 5 EFBELO COc1cc(C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000123613897 222305320 /nfs/dbraw/zinc/30/53/20/222305320.db2.gz CMLKMRLWCIQTES-SWLSCSKDSA-N 1 2 344.371 2.523 10 5 EFBELO COCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000125262799 222540835 /nfs/dbraw/zinc/54/08/35/222540835.db2.gz XDPLPSODJMVJJH-JSGCOSHPSA-N 1 2 345.403 2.827 10 5 EFBELO COC(=O)c1ccc(OCc2c[nH+]c3ccccn23)c([N+](=O)[O-])c1 ZINC000155908293 544761093 /nfs/dbraw/zinc/76/10/93/544761093.db2.gz VJOHMPUDEOWSDV-UHFFFAOYSA-N 1 2 327.296 2.608 10 5 EFBELO CCC1(CC)C[N@H+](CCOc2cccc([N+](=O)[O-])c2)CC[S@]1=O ZINC000185268404 265041077 /nfs/dbraw/zinc/04/10/77/265041077.db2.gz DDNQWFBBSSWAJW-HSZRJFAPSA-N 1 2 340.445 2.597 10 5 EFBELO CCC1(CC)C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CC[S@]1=O ZINC000185268404 265041078 /nfs/dbraw/zinc/04/10/78/265041078.db2.gz DDNQWFBBSSWAJW-HSZRJFAPSA-N 1 2 340.445 2.597 10 5 EFBELO CC[C@H](NC(=O)N(C)Cc1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000271850896 266078080 /nfs/dbraw/zinc/07/80/80/266078080.db2.gz XKPGJCDRYCBRIM-AWEZNQCLSA-N 1 2 331.376 2.621 10 5 EFBELO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@@H](S(C)(=O)=O)C1 ZINC000277839414 267276709 /nfs/dbraw/zinc/27/67/09/267276709.db2.gz SCDQSDZZFVFJHS-IUODEOHRSA-N 1 2 326.418 2.555 10 5 EFBELO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCCC[C@@H](S(C)(=O)=O)C1 ZINC000277839414 267276711 /nfs/dbraw/zinc/27/67/11/267276711.db2.gz SCDQSDZZFVFJHS-IUODEOHRSA-N 1 2 326.418 2.555 10 5 EFBELO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@H](S(C)(=O)=O)C1 ZINC000277839411 267276815 /nfs/dbraw/zinc/27/68/15/267276815.db2.gz SCDQSDZZFVFJHS-DOMZBBRYSA-N 1 2 326.418 2.555 10 5 EFBELO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCCC[C@H](S(C)(=O)=O)C1 ZINC000277839411 267276817 /nfs/dbraw/zinc/27/68/17/267276817.db2.gz SCDQSDZZFVFJHS-DOMZBBRYSA-N 1 2 326.418 2.555 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1-c1nc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000278023067 267323538 /nfs/dbraw/zinc/32/35/38/267323538.db2.gz JWNSWPYXYFWLEI-UKRRQHHQSA-N 1 2 344.371 2.879 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1-c1nc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000278023067 267323540 /nfs/dbraw/zinc/32/35/40/267323540.db2.gz JWNSWPYXYFWLEI-UKRRQHHQSA-N 1 2 344.371 2.879 10 5 EFBELO Cc1ccc([C@@H](CNC(=O)c2cccc(O)c2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000280776007 273365478 /nfs/dbraw/zinc/36/54/78/273365478.db2.gz MYLSFERNNPBDCW-OAHLLOKOSA-N 1 2 343.383 2.642 10 5 EFBELO O=[N+]([O-])c1ccc(C[NH+]2CCC(c3ccn[nH]3)CC2)c([N+](=O)[O-])c1 ZINC000193851777 275035334 /nfs/dbraw/zinc/03/53/34/275035334.db2.gz PWMUIVSQGDWUHV-UHFFFAOYSA-N 1 2 331.332 2.606 10 5 EFBELO Cc1c(CC(=O)N(C)c2ccc[nH+]c2N(C)C)cccc1[N+](=O)[O-] ZINC000128708969 293112294 /nfs/dbraw/zinc/11/22/94/293112294.db2.gz HALIZESCKYBGKD-UHFFFAOYSA-N 1 2 328.372 2.570 10 5 EFBELO C[C@@H](C(=O)NCc1ccccc1)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153090049 293360114 /nfs/dbraw/zinc/36/01/14/293360114.db2.gz WDHOGJNYCYRRPA-AWEZNQCLSA-N 1 2 339.395 2.658 10 5 EFBELO C[C@@H](C(=O)NCc1ccccc1)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153090049 293360117 /nfs/dbraw/zinc/36/01/17/293360117.db2.gz WDHOGJNYCYRRPA-AWEZNQCLSA-N 1 2 339.395 2.658 10 5 EFBELO CN(C)C(=O)c1cccc(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000153331645 293370856 /nfs/dbraw/zinc/37/08/56/293370856.db2.gz NFFDOSUVEDZVQW-UHFFFAOYSA-N 1 2 339.395 2.855 10 5 EFBELO CN(C)C(=O)c1cccc(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000153331645 293370859 /nfs/dbraw/zinc/37/08/59/293370859.db2.gz NFFDOSUVEDZVQW-UHFFFAOYSA-N 1 2 339.395 2.855 10 5 EFBELO CCn1cc[nH+]c1CNc1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000294915318 295245239 /nfs/dbraw/zinc/24/52/39/295245239.db2.gz GBGPLXVFFIXSAB-UHFFFAOYSA-N 1 2 331.376 2.562 10 5 EFBELO Cc1cc(N2CCC[C@H](O)[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000295010242 295257257 /nfs/dbraw/zinc/25/72/57/295257257.db2.gz PDFBZXUMICRUEU-WFASDCNBSA-N 1 2 328.372 2.710 10 5 EFBELO CCc1nnc(C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[nH]1 ZINC000295594826 295346473 /nfs/dbraw/zinc/34/64/73/295346473.db2.gz CJICTKVTLOEPEE-UHFFFAOYSA-N 1 2 327.344 2.825 10 5 EFBELO C[C@@]1(F)CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000295597532 295346651 /nfs/dbraw/zinc/34/66/51/295346651.db2.gz OTZHKBNABYYPQS-MRXNPFEDSA-N 1 2 332.335 2.745 10 5 EFBELO CCN(CC(C)(C)O)c1cc(C)[nH+]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301263645 311127903 /nfs/dbraw/zinc/12/79/03/311127903.db2.gz HQGLFEDQTXMWPY-UHFFFAOYSA-N 1 2 330.388 2.957 10 5 EFBELO Cc1cc(N2CCN(Cc3[nH+]ccn3C)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000301443746 311137635 /nfs/dbraw/zinc/13/76/35/311137635.db2.gz OKQOBQSXSOOHPC-UHFFFAOYSA-N 1 2 349.822 2.612 10 5 EFBELO Cc1cc(N2CC[C@H](C)[C@@H](O)C2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000301959250 311168809 /nfs/dbraw/zinc/16/88/09/311168809.db2.gz OWTKZJFTIJTYOW-NHYWBVRUSA-N 1 2 328.372 2.567 10 5 EFBELO O=[N+]([O-])c1ccc(CO)cc1NCCc1[nH]c2ccc(F)cc2[nH+]1 ZINC000302051458 311174847 /nfs/dbraw/zinc/17/48/47/311174847.db2.gz OYMJPUSRWHYSLE-UHFFFAOYSA-N 1 2 330.319 2.757 10 5 EFBELO O=[N+]([O-])c1ccc(CO)cc1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000302065198 311175914 /nfs/dbraw/zinc/17/59/14/311175914.db2.gz UEZJFDLOUBOQNH-UHFFFAOYSA-N 1 2 345.374 2.548 10 5 EFBELO COC(=O)c1ccc([N+](=O)[O-])c(NCCc2[nH]c3ccccc3[nH+]2)c1 ZINC000302123929 311178932 /nfs/dbraw/zinc/17/89/32/311178932.db2.gz YYVJKIHCWPGIMS-UHFFFAOYSA-N 1 2 340.339 2.912 10 5 EFBELO Cc1ccc(C2CCN(c3c(C(N)=O)cccc3[N+](=O)[O-])CC2)c[nH+]1 ZINC000420601784 312374831 /nfs/dbraw/zinc/37/48/31/312374831.db2.gz HBAGAHCZRZQNIT-UHFFFAOYSA-N 1 2 340.383 2.781 10 5 EFBELO O=[N+]([O-])c1cnc2ccccc2c1NCCc1cn2ccccc2[nH+]1 ZINC000487916815 313438438 /nfs/dbraw/zinc/43/84/38/313438438.db2.gz XDPZMLKWCBXDSF-UHFFFAOYSA-N 1 2 333.351 2.867 10 5 EFBELO Cc1cc(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)c(C)c[nH+]1 ZINC000542888579 317833120 /nfs/dbraw/zinc/83/31/20/317833120.db2.gz WLEMJFYIPFDSJJ-UHFFFAOYSA-N 1 2 337.282 2.882 10 5 EFBELO O=[N+]([O-])c1ccc(-c2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)nc1 ZINC000545695290 317930228 /nfs/dbraw/zinc/93/02/28/317930228.db2.gz OMLQTTNPXREHRP-UHFFFAOYSA-N 1 2 334.295 2.893 10 5 EFBELO Cc1cccc(CN[C@H](c2[nH+]ccn2C)c2cccc([N+](=O)[O-])c2)n1 ZINC000552037729 318239342 /nfs/dbraw/zinc/23/93/42/318239342.db2.gz HAJJLLFOEOQLQT-KRWDZBQOSA-N 1 2 337.383 2.911 10 5 EFBELO C[NH+](C)[C@@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])C1CCCCC1 ZINC000556783099 318408561 /nfs/dbraw/zinc/40/85/61/318408561.db2.gz QNNNJQCUEOYZFL-INIZCTEOSA-N 1 2 335.404 2.541 10 5 EFBELO CC[C@@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1nccs1 ZINC000185080336 323382519 /nfs/dbraw/zinc/38/25/19/323382519.db2.gz DPDSRFSVXJSQNO-CYBMUJFWSA-N 1 2 346.412 2.681 10 5 EFBELO Cc1cc[nH+]cc1N1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000581031928 324290740 /nfs/dbraw/zinc/29/07/40/324290740.db2.gz OVXBBZNUTXPFAV-UHFFFAOYSA-N 1 2 333.779 2.673 10 5 EFBELO O=[N+]([O-])c1cc2c(nc1N1CCC(c3c[nH]c[nH+]3)CC1)CCCC2 ZINC000581068875 324298588 /nfs/dbraw/zinc/29/85/88/324298588.db2.gz JCNVDHRSHWMOQB-UHFFFAOYSA-N 1 2 327.388 2.976 10 5 EFBELO O=[N+]([O-])c1cc2c(nc1N1CCC(c3c[nH+]c[nH]3)CC1)CCCC2 ZINC000581068875 324298594 /nfs/dbraw/zinc/29/85/94/324298594.db2.gz JCNVDHRSHWMOQB-UHFFFAOYSA-N 1 2 327.388 2.976 10 5 EFBELO CCCC(=O)N[C@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000083170184 473326974 /nfs/dbraw/zinc/32/69/74/473326974.db2.gz YXDDHMWHZHMMPU-LBPRGKRZSA-N 1 2 346.387 2.617 10 5 EFBELO CCCC(=O)N[C@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000083170184 473326981 /nfs/dbraw/zinc/32/69/81/473326981.db2.gz YXDDHMWHZHMMPU-LBPRGKRZSA-N 1 2 346.387 2.617 10 5 EFBELO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000125209000 473374507 /nfs/dbraw/zinc/37/45/07/473374507.db2.gz OZYGMKWEDIBMOR-OAHLLOKOSA-N 1 2 326.400 2.869 10 5 EFBELO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(Cc2cccnc2)CC1 ZINC000125209000 473374514 /nfs/dbraw/zinc/37/45/14/473374514.db2.gz OZYGMKWEDIBMOR-OAHLLOKOSA-N 1 2 326.400 2.869 10 5 EFBELO COCc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000125262347 473383024 /nfs/dbraw/zinc/38/30/24/473383024.db2.gz XDPLPSODJMVJJH-GXTWGEPZSA-N 1 2 345.403 2.827 10 5 EFBELO C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000399204384 476882332 /nfs/dbraw/zinc/88/23/32/476882332.db2.gz PACOIQJHDBIOAO-BXKDBHETSA-N 1 2 329.194 2.703 10 5 EFBELO C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000399204384 476882334 /nfs/dbraw/zinc/88/23/34/476882334.db2.gz PACOIQJHDBIOAO-BXKDBHETSA-N 1 2 329.194 2.703 10 5 EFBELO COc1cc(C[N@@H+]2CCC[C@@H](OC(F)F)C2)c([N+](=O)[O-])cc1F ZINC000613384324 479982020 /nfs/dbraw/zinc/98/20/20/479982020.db2.gz WZFRKKDFPYSOIF-SNVBAGLBSA-N 1 2 334.294 2.946 10 5 EFBELO COc1cc(C[N@H+]2CCC[C@@H](OC(F)F)C2)c([N+](=O)[O-])cc1F ZINC000613384324 479982030 /nfs/dbraw/zinc/98/20/30/479982030.db2.gz WZFRKKDFPYSOIF-SNVBAGLBSA-N 1 2 334.294 2.946 10 5 EFBELO CCOc1ccc([C@H](C)[NH2+][C@H]2CCCn3ncnc32)cc1[N+](=O)[O-] ZINC000097032495 472414578 /nfs/dbraw/zinc/41/45/78/472414578.db2.gz KSHXQMHAOXFCEO-AAEUAGOBSA-N 1 2 331.376 2.771 10 5 EFBELO Cc1sc(C(=O)NCCc2cn3ccccc3[nH+]2)cc1[N+](=O)[O-] ZINC000032614187 472447072 /nfs/dbraw/zinc/44/70/72/472447072.db2.gz OPBVLWWFGAOEHG-UHFFFAOYSA-N 1 2 330.369 2.585 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCc1ccc[nH+]c1N(C)C ZINC000156033967 472656894 /nfs/dbraw/zinc/65/68/94/472656894.db2.gz JREAYZVHWLZZNG-UHFFFAOYSA-N 1 2 329.360 2.686 10 5 EFBELO Cc1cc(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)nc(C(C)C)[nH+]1 ZINC000072883473 472733175 /nfs/dbraw/zinc/73/31/75/472733175.db2.gz LTTHKWPWWIFEAE-UHFFFAOYSA-N 1 2 342.403 2.538 10 5 EFBELO Cc1ccc([C@@H](C[NH+]2CCOCC2)Nc2ccc([N+](=O)[O-])nc2)cc1 ZINC000078596600 472740958 /nfs/dbraw/zinc/74/09/58/472740958.db2.gz HRLAEECRXUUFPA-QGZVFWFLSA-N 1 2 342.399 2.784 10 5 EFBELO Cc1cc(C)n(C[C@H]2C[N@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CCO2)n1 ZINC000105893429 472799976 /nfs/dbraw/zinc/79/99/76/472799976.db2.gz BYTKOEWJHRWSKC-MAUKXSAKSA-N 1 2 344.415 2.870 10 5 EFBELO Cc1cc(C)n(C[C@H]2C[N@@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CCO2)n1 ZINC000105893429 472799981 /nfs/dbraw/zinc/79/99/81/472799981.db2.gz BYTKOEWJHRWSKC-MAUKXSAKSA-N 1 2 344.415 2.870 10 5 EFBELO CC(C)c1[nH+]c2c(n1C)CCN(CCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000106373520 472846003 /nfs/dbraw/zinc/84/60/03/472846003.db2.gz IPJDPKZCIXYNOX-UHFFFAOYSA-N 1 2 344.415 2.889 10 5 EFBELO CC(C)c1nc2c(n1C)CC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000106373520 472846011 /nfs/dbraw/zinc/84/60/11/472846011.db2.gz IPJDPKZCIXYNOX-UHFFFAOYSA-N 1 2 344.415 2.889 10 5 EFBELO CC(C)c1nc2c(n1C)CC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000106373520 472846016 /nfs/dbraw/zinc/84/60/16/472846016.db2.gz IPJDPKZCIXYNOX-UHFFFAOYSA-N 1 2 344.415 2.889 10 5 EFBELO Cc1ccc([C@@H]2C[N@H+](CCOc3ccc([N+](=O)[O-])cc3)CCO2)o1 ZINC000158595171 472950856 /nfs/dbraw/zinc/95/08/56/472950856.db2.gz IKGQBLFGAWBNNK-KRWDZBQOSA-N 1 2 332.356 2.949 10 5 EFBELO Cc1ccc([C@@H]2C[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)CCO2)o1 ZINC000158595171 472950862 /nfs/dbraw/zinc/95/08/62/472950862.db2.gz IKGQBLFGAWBNNK-KRWDZBQOSA-N 1 2 332.356 2.949 10 5 EFBELO Cc1cc(C(=O)NC2CCN(c3cccc[nH+]3)CC2)cc([N+](=O)[O-])c1 ZINC000122036129 472968156 /nfs/dbraw/zinc/96/81/56/472968156.db2.gz RLTOSXIDWYASIZ-UHFFFAOYSA-N 1 2 340.383 2.697 10 5 EFBELO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000122822645 473061841 /nfs/dbraw/zinc/06/18/41/473061841.db2.gz PYNHBBFWUBMLND-UHFFFAOYSA-N 1 2 335.429 2.627 10 5 EFBELO O=[N+]([O-])c1ccc(O)cc1C[N@@H+](CCO)[C@H]1CCc2ccccc21 ZINC000093387397 473100155 /nfs/dbraw/zinc/10/01/55/473100155.db2.gz GLROGHGFPIWHPX-SFHVURJKSA-N 1 2 328.368 2.782 10 5 EFBELO O=[N+]([O-])c1ccc(O)cc1C[N@H+](CCO)[C@H]1CCc2ccccc21 ZINC000093387397 473100161 /nfs/dbraw/zinc/10/01/61/473100161.db2.gz GLROGHGFPIWHPX-SFHVURJKSA-N 1 2 328.368 2.782 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000162920520 473395018 /nfs/dbraw/zinc/39/50/18/473395018.db2.gz NNVKREUFVFRKOS-CQSZACIVSA-N 1 2 329.360 2.796 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000125382241 473401943 /nfs/dbraw/zinc/40/19/43/473401943.db2.gz XQSFWJMCSAYSRF-WBMJQRKESA-N 1 2 328.372 2.823 10 5 EFBELO CN(C(=O)C[N@@H+]1CCCC[C@H]1c1cn[nH]c1)c1ccc([N+](=O)[O-])cc1 ZINC000114483889 473474742 /nfs/dbraw/zinc/47/47/42/473474742.db2.gz BAAPKKBHXKZILJ-INIZCTEOSA-N 1 2 343.387 2.508 10 5 EFBELO CN(C(=O)C[N@H+]1CCCC[C@H]1c1cn[nH]c1)c1ccc([N+](=O)[O-])cc1 ZINC000114483889 473474748 /nfs/dbraw/zinc/47/47/48/473474748.db2.gz BAAPKKBHXKZILJ-INIZCTEOSA-N 1 2 343.387 2.508 10 5 EFBELO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000126763487 473543524 /nfs/dbraw/zinc/54/35/24/473543524.db2.gz XHAJUPVVBYHGPB-SFHVURJKSA-N 1 2 344.367 2.753 10 5 EFBELO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000126763487 473543528 /nfs/dbraw/zinc/54/35/28/473543528.db2.gz XHAJUPVVBYHGPB-SFHVURJKSA-N 1 2 344.367 2.753 10 5 EFBELO Cc1[nH+]c(N2CCCC2)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000170605144 473564096 /nfs/dbraw/zinc/56/40/96/473564096.db2.gz DCKAAFIJCFZESB-UHFFFAOYSA-N 1 2 341.371 2.733 10 5 EFBELO CCc1nnc(C2CC[NH+](Cc3ccc(OC)c([N+](=O)[O-])c3)CC2)[nH]1 ZINC000191694450 473569644 /nfs/dbraw/zinc/56/96/44/473569644.db2.gz SNDHYSPULODBGC-UHFFFAOYSA-N 1 2 345.403 2.664 10 5 EFBELO CCc1n[nH]c(C2CC[NH+](Cc3ccc(OC)c([N+](=O)[O-])c3)CC2)n1 ZINC000191694450 473569651 /nfs/dbraw/zinc/56/96/51/473569651.db2.gz SNDHYSPULODBGC-UHFFFAOYSA-N 1 2 345.403 2.664 10 5 EFBELO CCc1nc(C2CC[NH+](Cc3ccc(OC)c([N+](=O)[O-])c3)CC2)n[nH]1 ZINC000191694450 473569656 /nfs/dbraw/zinc/56/96/56/473569656.db2.gz SNDHYSPULODBGC-UHFFFAOYSA-N 1 2 345.403 2.664 10 5 EFBELO Cc1sc(C(=O)N2CCCN(c3cccc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000186475603 473679299 /nfs/dbraw/zinc/67/92/99/473679299.db2.gz KUUSCIJHVNEQSG-UHFFFAOYSA-N 1 2 346.412 2.712 10 5 EFBELO Cc1cc(C(=O)N2CCCN(c3cccc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000186500215 473682411 /nfs/dbraw/zinc/68/24/11/473682411.db2.gz XVOXEKPHCFJHHX-UHFFFAOYSA-N 1 2 340.383 2.651 10 5 EFBELO Cc1cc(N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3Cl)CC2)n[nH]1 ZINC000187194570 473835486 /nfs/dbraw/zinc/83/54/86/473835486.db2.gz SUNYVYDPTAQJNP-UHFFFAOYSA-N 1 2 335.795 2.602 10 5 EFBELO O=C1CCc2cc([N+](=O)[O-])c(NCc3cn4c([nH+]3)CCCC4)cc2N1 ZINC000263788827 473849483 /nfs/dbraw/zinc/84/94/83/473849483.db2.gz NDNDLTCAWCTWHV-UHFFFAOYSA-N 1 2 341.371 2.624 10 5 EFBELO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc21)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000263798905 473854350 /nfs/dbraw/zinc/85/43/50/473854350.db2.gz NRXJCPUOSZFQDI-UHFFFAOYSA-N 1 2 339.355 2.819 10 5 EFBELO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCO[C@@H](c3ccsc3)C2)c1 ZINC000269676402 473857737 /nfs/dbraw/zinc/85/77/37/473857737.db2.gz WNROJBIPUKLFND-HZPDHXFCSA-N 1 2 334.397 2.763 10 5 EFBELO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCO[C@@H](c3ccsc3)C2)c1 ZINC000269676402 473857740 /nfs/dbraw/zinc/85/77/40/473857740.db2.gz WNROJBIPUKLFND-HZPDHXFCSA-N 1 2 334.397 2.763 10 5 EFBELO CCOc1ccc([C@H](C)[NH2+]Cc2cc(C(N)=O)co2)cc1[N+](=O)[O-] ZINC000187723583 473910073 /nfs/dbraw/zinc/91/00/73/473910073.db2.gz FFBMJCHGOSEETK-JTQLQIEISA-N 1 2 333.344 2.536 10 5 EFBELO Cc1ccnc(NC(=O)C[N@@H+](C)[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000608800108 480095244 /nfs/dbraw/zinc/09/52/44/480095244.db2.gz ASMMQWDVIZKSOM-ZDUSSCGKSA-N 1 2 328.372 2.930 10 5 EFBELO Cc1ccnc(NC(=O)C[N@H+](C)[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000608800108 480095251 /nfs/dbraw/zinc/09/52/51/480095251.db2.gz ASMMQWDVIZKSOM-ZDUSSCGKSA-N 1 2 328.372 2.930 10 5 EFBELO Cc1nc(CN2CC[NH+](Cc3ccc([N+](=O)[O-])cc3C)CC2)cs1 ZINC000183248556 474358255 /nfs/dbraw/zinc/35/82/55/474358255.db2.gz HISPMHOBRGZXEP-UHFFFAOYSA-N 1 2 346.456 2.986 10 5 EFBELO Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc3[nH]c(C4CCC4)[nH+]c3c2)n1 ZINC000271162989 474413213 /nfs/dbraw/zinc/41/32/13/474413213.db2.gz WKZZVIRVBLFVID-UHFFFAOYSA-N 1 2 340.343 2.724 10 5 EFBELO CC(C)c1nnc2n1CC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H]2C ZINC000189551358 474437640 /nfs/dbraw/zinc/43/76/40/474437640.db2.gz QXZMQMAYSCPUIL-CYBMUJFWSA-N 1 2 329.404 2.929 10 5 EFBELO CC(C)c1nnc2n1CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H]2C ZINC000189551358 474437645 /nfs/dbraw/zinc/43/76/45/474437645.db2.gz QXZMQMAYSCPUIL-CYBMUJFWSA-N 1 2 329.404 2.929 10 5 EFBELO O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000183912399 474446066 /nfs/dbraw/zinc/44/60/66/474446066.db2.gz FQLMFLILPGEXDH-OAHLLOKOSA-N 1 2 341.367 2.904 10 5 EFBELO O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000183912399 474446072 /nfs/dbraw/zinc/44/60/72/474446072.db2.gz FQLMFLILPGEXDH-OAHLLOKOSA-N 1 2 341.367 2.904 10 5 EFBELO O=[N+]([O-])c1cccc(F)c1C[NH+]1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000189648624 474456813 /nfs/dbraw/zinc/45/68/13/474456813.db2.gz YIUVQJNBQXMGQG-UHFFFAOYSA-N 1 2 345.378 2.657 10 5 EFBELO COC(=O)c1cc(C)nc(N2CCCC[C@@H]2c2[nH]cc[nH+]2)c1[N+](=O)[O-] ZINC000283868988 474516442 /nfs/dbraw/zinc/51/64/42/474516442.db2.gz UTWJRBRWESJRNJ-GFCCVEGCSA-N 1 2 345.359 2.540 10 5 EFBELO CC(C)[C@H](O)C[N@@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000292821228 474660694 /nfs/dbraw/zinc/66/06/94/474660694.db2.gz CYULKSJRTHDRBY-CQSZACIVSA-N 1 2 343.221 2.732 10 5 EFBELO CC(C)[C@H](O)C[N@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000292821228 474660698 /nfs/dbraw/zinc/66/06/98/474660698.db2.gz CYULKSJRTHDRBY-CQSZACIVSA-N 1 2 343.221 2.732 10 5 EFBELO CCOc1ccc(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000609131765 480115383 /nfs/dbraw/zinc/11/53/83/480115383.db2.gz XQTHOFHIWGABNA-AWEZNQCLSA-N 1 2 344.371 2.667 10 5 EFBELO CC[C@@](C)(O)C[N@@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000284713852 474736635 /nfs/dbraw/zinc/73/66/35/474736635.db2.gz JFFCCZTWOQFRAU-CQSZACIVSA-N 1 2 343.221 2.876 10 5 EFBELO CC[C@@](C)(O)C[N@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000284713852 474736645 /nfs/dbraw/zinc/73/66/45/474736645.db2.gz JFFCCZTWOQFRAU-CQSZACIVSA-N 1 2 343.221 2.876 10 5 EFBELO Cn1nccc1[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284719846 474737845 /nfs/dbraw/zinc/73/78/45/474737845.db2.gz JNTZLWQKROUVKF-OAHLLOKOSA-N 1 2 345.359 2.964 10 5 EFBELO Cn1nccc1[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284719846 474737850 /nfs/dbraw/zinc/73/78/50/474737850.db2.gz JNTZLWQKROUVKF-OAHLLOKOSA-N 1 2 345.359 2.964 10 5 EFBELO Cn1nccc1[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284719844 474738807 /nfs/dbraw/zinc/73/88/07/474738807.db2.gz JNTZLWQKROUVKF-HNNXBMFYSA-N 1 2 345.359 2.964 10 5 EFBELO Cn1nccc1[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284719844 474738811 /nfs/dbraw/zinc/73/88/11/474738811.db2.gz JNTZLWQKROUVKF-HNNXBMFYSA-N 1 2 345.359 2.964 10 5 EFBELO CC(=O)CC[N@@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000284816551 474783758 /nfs/dbraw/zinc/78/37/58/474783758.db2.gz PORZKNVSEHMCPD-UHFFFAOYSA-N 1 2 327.178 2.695 10 5 EFBELO CC(=O)CC[N@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000284816551 474783763 /nfs/dbraw/zinc/78/37/63/474783763.db2.gz PORZKNVSEHMCPD-UHFFFAOYSA-N 1 2 327.178 2.695 10 5 EFBELO O=[N+]([O-])c1ccc(O)cc1C[N@H+](C[C@@H]1CCCO1)[C@H]1CCSC1 ZINC000339054158 474884516 /nfs/dbraw/zinc/88/45/16/474884516.db2.gz NZIZNZXZEGXUHW-ZFWWWQNUSA-N 1 2 338.429 2.787 10 5 EFBELO O=[N+]([O-])c1ccc(O)cc1C[N@@H+](C[C@@H]1CCCO1)[C@H]1CCSC1 ZINC000339054158 474884522 /nfs/dbraw/zinc/88/45/22/474884522.db2.gz NZIZNZXZEGXUHW-ZFWWWQNUSA-N 1 2 338.429 2.787 10 5 EFBELO O=C1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCN1C1CC1 ZINC000337395854 474975007 /nfs/dbraw/zinc/97/50/07/474975007.db2.gz PJTGGTOICRZSDF-UHFFFAOYSA-N 1 2 341.367 2.661 10 5 EFBELO O=C1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCN1C1CC1 ZINC000337395854 474975015 /nfs/dbraw/zinc/97/50/15/474975015.db2.gz PJTGGTOICRZSDF-UHFFFAOYSA-N 1 2 341.367 2.661 10 5 EFBELO C[C@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC(=O)N1C ZINC000337549672 475118527 /nfs/dbraw/zinc/11/85/27/475118527.db2.gz QOHANSVAHCDHMH-LBPRGKRZSA-N 1 2 345.424 2.986 10 5 EFBELO C[C@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC(=O)N1C ZINC000337549672 475118537 /nfs/dbraw/zinc/11/85/37/475118537.db2.gz QOHANSVAHCDHMH-LBPRGKRZSA-N 1 2 345.424 2.986 10 5 EFBELO CNC(=O)C[C@@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000352412848 475269436 /nfs/dbraw/zinc/26/94/36/475269436.db2.gz JKRBKYDKNIUVFT-MRXNPFEDSA-N 1 2 349.337 2.840 10 5 EFBELO Cn1c[nH+]cc1Cc1noc(CSc2ccc([N+](=O)[O-])cc2)n1 ZINC000357935434 475274380 /nfs/dbraw/zinc/27/43/80/475274380.db2.gz MOECMRYYDZDWKP-UHFFFAOYSA-N 1 2 331.357 2.594 10 5 EFBELO Cn1c[nH+]cc1Cc1noc(C(C)(C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000357950381 475286019 /nfs/dbraw/zinc/28/60/19/475286019.db2.gz PGMCMIGYMVCTMJ-UHFFFAOYSA-N 1 2 327.344 2.628 10 5 EFBELO Cc1ccncc1C[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000361411717 475427454 /nfs/dbraw/zinc/42/74/54/475427454.db2.gz ZNBQYBUFHAIYKG-CYBMUJFWSA-N 1 2 328.372 2.757 10 5 EFBELO Cc1ccncc1C[N@H+](C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000361411717 475427462 /nfs/dbraw/zinc/42/74/62/475427462.db2.gz ZNBQYBUFHAIYKG-CYBMUJFWSA-N 1 2 328.372 2.757 10 5 EFBELO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000348228311 475504137 /nfs/dbraw/zinc/50/41/37/475504137.db2.gz KKDOVFOHOHTXEG-NXEZZACHSA-N 1 2 331.294 2.806 10 5 EFBELO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000348228311 475504145 /nfs/dbraw/zinc/50/41/45/475504145.db2.gz KKDOVFOHOHTXEG-NXEZZACHSA-N 1 2 331.294 2.806 10 5 EFBELO CCOc1cc(C[N@H+](CCO)Cc2ccc(C)o2)ccc1[N+](=O)[O-] ZINC000361507661 475505048 /nfs/dbraw/zinc/50/50/48/475505048.db2.gz GBWGDOZFVMACSS-UHFFFAOYSA-N 1 2 334.372 2.889 10 5 EFBELO CCOc1cc(C[N@@H+](CCO)Cc2ccc(C)o2)ccc1[N+](=O)[O-] ZINC000361507661 475505058 /nfs/dbraw/zinc/50/50/58/475505058.db2.gz GBWGDOZFVMACSS-UHFFFAOYSA-N 1 2 334.372 2.889 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000338026870 475521410 /nfs/dbraw/zinc/52/14/10/475521410.db2.gz GXWSYVPYQRUPDY-UHFFFAOYSA-N 1 2 345.424 2.923 10 5 EFBELO COc1cc(C[N@H+](CC(N)=O)[C@H](C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000352771368 475605687 /nfs/dbraw/zinc/60/56/87/475605687.db2.gz XVEVFYUTFWGMKD-CYBMUJFWSA-N 1 2 343.383 2.652 10 5 EFBELO COc1cc(C[N@@H+](CC(N)=O)[C@H](C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000352771368 475605691 /nfs/dbraw/zinc/60/56/91/475605691.db2.gz XVEVFYUTFWGMKD-CYBMUJFWSA-N 1 2 343.383 2.652 10 5 EFBELO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc21)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000355237483 475769804 /nfs/dbraw/zinc/76/98/04/475769804.db2.gz XNASJWYEWJQBGM-UHFFFAOYSA-N 1 2 339.355 2.819 10 5 EFBELO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc21)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000355237483 475769806 /nfs/dbraw/zinc/76/98/06/475769806.db2.gz XNASJWYEWJQBGM-UHFFFAOYSA-N 1 2 339.355 2.819 10 5 EFBELO Nc1c(F)c(NC2CCN(c3cccc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000348743085 475844359 /nfs/dbraw/zinc/84/43/59/475844359.db2.gz MRTHGUCZCDXEAF-UHFFFAOYSA-N 1 2 331.351 2.792 10 5 EFBELO CSc1cccc(-c2nc(Cc3c[nH+]cn3C)no2)c1[N+](=O)[O-] ZINC000346926920 475969781 /nfs/dbraw/zinc/96/97/81/475969781.db2.gz CHENCHMLWCITAI-UHFFFAOYSA-N 1 2 331.357 2.691 10 5 EFBELO O=[N+]([O-])c1ccc(CC[NH2+][C@H](c2cnn[nH]2)c2ccc(F)cc2)cc1 ZINC000340473569 476056243 /nfs/dbraw/zinc/05/62/43/476056243.db2.gz LUDIFQJXMCOGTI-KRWDZBQOSA-N 1 2 341.346 2.774 10 5 EFBELO O=[N+]([O-])c1ccc(CC[NH2+][C@H](c2cn[nH]n2)c2ccc(F)cc2)cc1 ZINC000340473569 476056252 /nfs/dbraw/zinc/05/62/52/476056252.db2.gz LUDIFQJXMCOGTI-KRWDZBQOSA-N 1 2 341.346 2.774 10 5 EFBELO O=[N+]([O-])c1ccc(CC[NH2+][C@H](c2c[nH]nn2)c2ccc(F)cc2)cc1 ZINC000340473569 476056258 /nfs/dbraw/zinc/05/62/58/476056258.db2.gz LUDIFQJXMCOGTI-KRWDZBQOSA-N 1 2 341.346 2.774 10 5 EFBELO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000298323248 476057012 /nfs/dbraw/zinc/05/70/12/476057012.db2.gz QWOMODJCHIWSRX-RIEGTJTDSA-N 1 2 339.342 2.899 10 5 EFBELO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000298323248 476057021 /nfs/dbraw/zinc/05/70/21/476057021.db2.gz QWOMODJCHIWSRX-RIEGTJTDSA-N 1 2 339.342 2.899 10 5 EFBELO O=[N+]([O-])c1ccccc1CC[NH2+][C@H](c1cnn[nH]1)c1ccc(F)cc1 ZINC000340524603 476084064 /nfs/dbraw/zinc/08/40/64/476084064.db2.gz YLPZQPSPQLURJB-KRWDZBQOSA-N 1 2 341.346 2.774 10 5 EFBELO O=[N+]([O-])c1ccccc1CC[NH2+][C@H](c1cn[nH]n1)c1ccc(F)cc1 ZINC000340524603 476084073 /nfs/dbraw/zinc/08/40/73/476084073.db2.gz YLPZQPSPQLURJB-KRWDZBQOSA-N 1 2 341.346 2.774 10 5 EFBELO O=[N+]([O-])c1ccccc1CC[NH2+][C@H](c1c[nH]nn1)c1ccc(F)cc1 ZINC000340524603 476084076 /nfs/dbraw/zinc/08/40/76/476084076.db2.gz YLPZQPSPQLURJB-KRWDZBQOSA-N 1 2 341.346 2.774 10 5 EFBELO COc1ccc([N+](=O)[O-])c(NCc2[nH+]ccn2CC(F)(F)F)c1 ZINC000338663846 476095337 /nfs/dbraw/zinc/09/53/37/476095337.db2.gz DBBBHRIKIJTLIU-UHFFFAOYSA-N 1 2 330.266 2.974 10 5 EFBELO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1nnc2n1CCCCC2 ZINC000350626600 476272340 /nfs/dbraw/zinc/27/23/40/476272340.db2.gz NZEKHFOAHQPWAH-NSHDSACASA-N 1 2 333.367 2.903 10 5 EFBELO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ncc(Br)cn1 ZINC000353895601 476316409 /nfs/dbraw/zinc/31/64/09/476316409.db2.gz CRCPENSHWPWYNO-VIFPVBQESA-N 1 2 337.177 2.998 10 5 EFBELO CCn1c(C)nc([N+](=O)[O-])c1NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000360948599 476496190 /nfs/dbraw/zinc/49/61/90/476496190.db2.gz BCGFZJSIWZKSEY-UHFFFAOYSA-N 1 2 340.387 2.977 10 5 EFBELO COc1c(C)c[nH+]c(CN(C)C(=O)c2cc(O)ccc2[N+](=O)[O-])c1C ZINC000352096671 476524164 /nfs/dbraw/zinc/52/41/64/476524164.db2.gz ICADVXUOUXOFEF-UHFFFAOYSA-N 1 2 345.355 2.593 10 5 EFBELO O=[N+]([O-])c1cc(F)c(C[N@H+]2CC[C@@H]([C@H](O)C(F)(F)F)C2)c(F)c1 ZINC000451882340 476697702 /nfs/dbraw/zinc/69/77/02/476697702.db2.gz CSMCGZGBBNWXLX-KRTXAFLBSA-N 1 2 340.248 2.618 10 5 EFBELO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CC[C@@H]([C@H](O)C(F)(F)F)C2)c(F)c1 ZINC000451882340 476697705 /nfs/dbraw/zinc/69/77/05/476697705.db2.gz CSMCGZGBBNWXLX-KRTXAFLBSA-N 1 2 340.248 2.618 10 5 EFBELO O=[N+]([O-])c1cc(F)c(C[N@H+]2CC[C@H]([C@H](O)C(F)(F)F)C2)c(F)c1 ZINC000451882341 476697741 /nfs/dbraw/zinc/69/77/41/476697741.db2.gz CSMCGZGBBNWXLX-MADCSZMMSA-N 1 2 340.248 2.618 10 5 EFBELO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CC[C@H]([C@H](O)C(F)(F)F)C2)c(F)c1 ZINC000451882341 476697742 /nfs/dbraw/zinc/69/77/42/476697742.db2.gz CSMCGZGBBNWXLX-MADCSZMMSA-N 1 2 340.248 2.618 10 5 EFBELO C[C@H]1[C@H](O)CCC[N@@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000384730853 476758122 /nfs/dbraw/zinc/75/81/22/476758122.db2.gz JMAIERJDHMKGRR-TVQRCGJNSA-N 1 2 329.194 2.703 10 5 EFBELO C[C@H]1[C@H](O)CCC[N@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000384730853 476758127 /nfs/dbraw/zinc/75/81/27/476758127.db2.gz JMAIERJDHMKGRR-TVQRCGJNSA-N 1 2 329.194 2.703 10 5 EFBELO Cc1cc(N2CCO[C@H](C3CC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000375332701 476784440 /nfs/dbraw/zinc/78/44/40/476784440.db2.gz NDEMMCQUFMJMHZ-INIZCTEOSA-N 1 2 340.383 2.975 10 5 EFBELO C[C@@H]1C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H](C)[C@H](C)O1 ZINC000446077810 476825012 /nfs/dbraw/zinc/82/50/12/476825012.db2.gz KTOWJAROFXRTJX-WOPDTQHZSA-N 1 2 332.360 2.643 10 5 EFBELO C[C@@H]1C[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H](C)[C@H](C)O1 ZINC000446077810 476825018 /nfs/dbraw/zinc/82/50/18/476825018.db2.gz KTOWJAROFXRTJX-WOPDTQHZSA-N 1 2 332.360 2.643 10 5 EFBELO Cc1cccc([N+](=O)[O-])c1C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000446089569 476826737 /nfs/dbraw/zinc/82/67/37/476826737.db2.gz JIZVDROPSFPWMG-UHFFFAOYSA-N 1 2 342.277 2.592 10 5 EFBELO Cc1ccc(C[NH2+]Cc2nn(C)cc2Br)cc1[N+](=O)[O-] ZINC000393315377 476832049 /nfs/dbraw/zinc/83/20/49/476832049.db2.gz LWYUJNIJWOFIOV-UHFFFAOYSA-N 1 2 339.193 2.689 10 5 EFBELO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000446160763 476840589 /nfs/dbraw/zinc/84/05/89/476840589.db2.gz INMAMTFEZWQSEW-SNVBAGLBSA-N 1 2 336.779 2.819 10 5 EFBELO O=[N+]([O-])c1cc2ccccc2nc1NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000375467101 476854378 /nfs/dbraw/zinc/85/43/78/476854378.db2.gz AVAJMIFEDASNMJ-UHFFFAOYSA-N 1 2 346.350 2.758 10 5 EFBELO Cc1cn2cc(NC(=O)COc3ccc([N+](=O)[O-])c(C)c3)ccc2[nH+]1 ZINC000430569472 476863666 /nfs/dbraw/zinc/86/36/66/476863666.db2.gz IVVZUJFRFYCIGU-UHFFFAOYSA-N 1 2 340.339 2.877 10 5 EFBELO CC(F)(F)CCCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000452204232 476881531 /nfs/dbraw/zinc/88/15/31/476881531.db2.gz HGGPRYRSZVSHQF-UHFFFAOYSA-N 1 2 338.314 2.946 10 5 EFBELO COCC[C@@H](Cc1ccco1)[NH+]=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1 ZINC000447685731 477037045 /nfs/dbraw/zinc/03/70/45/477037045.db2.gz NAWNMNZSZXKQCH-NSHDSACASA-N 1 2 330.344 2.546 10 5 EFBELO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCCc1cn(C)c[nH+]1 ZINC000457857512 477234419 /nfs/dbraw/zinc/23/44/19/477234419.db2.gz MOJPRPBFJVLCJO-UHFFFAOYSA-N 1 2 348.428 2.801 10 5 EFBELO C[C@@H]1C[C@@]2(CCO1)C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C[C@H](C)O2 ZINC000367225721 477403557 /nfs/dbraw/zinc/40/35/57/477403557.db2.gz RNDINHMFTJOHOY-IGCXYCKISA-N 1 2 338.379 2.892 10 5 EFBELO C[C@@H]1C[C@@]2(CCO1)C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C[C@H](C)O2 ZINC000367225721 477403565 /nfs/dbraw/zinc/40/35/65/477403565.db2.gz RNDINHMFTJOHOY-IGCXYCKISA-N 1 2 338.379 2.892 10 5 EFBELO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCO[C@H](C3CCCCC3)C2)c1 ZINC000371828619 477514892 /nfs/dbraw/zinc/51/48/92/477514892.db2.gz KMJKFXIRWOVIGG-MSOLQXFVSA-N 1 2 334.416 2.909 10 5 EFBELO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCO[C@H](C3CCCCC3)C2)c1 ZINC000371828619 477514896 /nfs/dbraw/zinc/51/48/96/477514896.db2.gz KMJKFXIRWOVIGG-MSOLQXFVSA-N 1 2 334.416 2.909 10 5 EFBELO O=[N+]([O-])c1ccc2cc[nH+]c(N3CC[C@@](O)(C(F)(F)F)C3)c2c1 ZINC000413153986 477544622 /nfs/dbraw/zinc/54/46/22/477544622.db2.gz MBKWNTITZWVLNE-ZDUSSCGKSA-N 1 2 327.262 2.647 10 5 EFBELO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC(CC(F)F)C1 ZINC000425093356 477636243 /nfs/dbraw/zinc/63/62/43/477636243.db2.gz QPOQATICDOJYLR-UHFFFAOYSA-N 1 2 336.298 2.508 10 5 EFBELO Cc1cc(N[C@@H]2COCC2(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000450853330 477737900 /nfs/dbraw/zinc/73/79/00/477737900.db2.gz HKYOKQUHTRUIGA-CQSZACIVSA-N 1 2 328.372 2.619 10 5 EFBELO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NC[C@@H]1C[C@H]1C1CC1 ZINC000450930191 477765020 /nfs/dbraw/zinc/76/50/20/477765020.db2.gz VYFYXGTTWHCFTP-HOTGVXAUSA-N 1 2 331.416 2.885 10 5 EFBELO C[C@@](CO)([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)c1cccc(O)c1 ZINC000451041305 477799007 /nfs/dbraw/zinc/79/90/07/477799007.db2.gz MUVLMRFPNIOQJV-INIZCTEOSA-N 1 2 338.310 2.576 10 5 EFBELO CCOc1ccc(C(=O)N[C@@H]2C[C@H](C)n3cc[nH+]c32)cc1[N+](=O)[O-] ZINC000456379124 477898644 /nfs/dbraw/zinc/89/86/44/477898644.db2.gz LNJBQKQVYQZZHM-CMPLNLGQSA-N 1 2 330.344 2.626 10 5 EFBELO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CC[C@](O)(C(F)F)C2)c1 ZINC000451425460 478011269 /nfs/dbraw/zinc/01/12/69/478011269.db2.gz HHVOXVIFGKTABY-GFCCVEGCSA-N 1 2 340.248 2.816 10 5 EFBELO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CC[C@](O)(C(F)F)C2)c1 ZINC000451425460 478011273 /nfs/dbraw/zinc/01/12/73/478011273.db2.gz HHVOXVIFGKTABY-GFCCVEGCSA-N 1 2 340.248 2.816 10 5 EFBELO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000533797063 478113251 /nfs/dbraw/zinc/11/32/51/478113251.db2.gz OYCOUAFSPHZNFI-ZNMIVQPWSA-N 1 2 345.443 2.846 10 5 EFBELO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000533797063 478113256 /nfs/dbraw/zinc/11/32/56/478113256.db2.gz OYCOUAFSPHZNFI-ZNMIVQPWSA-N 1 2 345.443 2.846 10 5 EFBELO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000562484125 478255629 /nfs/dbraw/zinc/25/56/29/478255629.db2.gz SEXMPRKYGVKQGC-ZIAGYGMSSA-N 1 2 349.434 2.846 10 5 EFBELO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000562484125 478255632 /nfs/dbraw/zinc/25/56/32/478255632.db2.gz SEXMPRKYGVKQGC-ZIAGYGMSSA-N 1 2 349.434 2.846 10 5 EFBELO Cc1ccc([C@H](C)NC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)cc1[N+](=O)[O-] ZINC000597348147 478306415 /nfs/dbraw/zinc/30/64/15/478306415.db2.gz FSBZCZZHYOIQJA-WCQYABFASA-N 1 2 328.372 2.609 10 5 EFBELO Cc1ccc([C@H](C)NC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)cc1[N+](=O)[O-] ZINC000597348147 478306419 /nfs/dbraw/zinc/30/64/19/478306419.db2.gz FSBZCZZHYOIQJA-WCQYABFASA-N 1 2 328.372 2.609 10 5 EFBELO CC(=O)c1cc(NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000594591801 478452675 /nfs/dbraw/zinc/45/26/75/478452675.db2.gz LEMIKKINWBTMRG-UPJWGTAASA-N 1 2 335.404 2.707 10 5 EFBELO CC(=O)c1cc(NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000594591801 478452681 /nfs/dbraw/zinc/45/26/81/478452681.db2.gz LEMIKKINWBTMRG-UPJWGTAASA-N 1 2 335.404 2.707 10 5 EFBELO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CC[C@H]1C(F)(F)F ZINC000597664764 478454209 /nfs/dbraw/zinc/45/42/09/478454209.db2.gz ITRMTGJDRLIBKW-LBPRGKRZSA-N 1 2 340.261 2.557 10 5 EFBELO COc1cc(NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000594592800 478454253 /nfs/dbraw/zinc/45/42/53/478454253.db2.gz XPHSCSYENVLRDP-SDDRHHMPSA-N 1 2 341.383 2.652 10 5 EFBELO COc1cc(NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000594592800 478454261 /nfs/dbraw/zinc/45/42/61/478454261.db2.gz XPHSCSYENVLRDP-SDDRHHMPSA-N 1 2 341.383 2.652 10 5 EFBELO COC(=O)c1cc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)c(C)o1 ZINC000594615630 478472006 /nfs/dbraw/zinc/47/20/06/478472006.db2.gz SHGFSXFWXSRMLL-UHFFFAOYSA-N 1 2 334.328 2.581 10 5 EFBELO O=C1Nc2ccccc2CC[C@H]1[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000582276405 478554914 /nfs/dbraw/zinc/55/49/14/478554914.db2.gz APTUZZRDSXCXBR-GOSISDBHSA-N 1 2 337.379 2.906 10 5 EFBELO O=C1Nc2ccccc2CC[C@H]1[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000582276405 478554918 /nfs/dbraw/zinc/55/49/18/478554918.db2.gz APTUZZRDSXCXBR-GOSISDBHSA-N 1 2 337.379 2.906 10 5 EFBELO C[C@@](CO)([NH2+]Cc1nc2c(s1)CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000601150044 478689615 /nfs/dbraw/zinc/68/96/15/478689615.db2.gz SPVQEXABTPLLDW-KRWDZBQOSA-N 1 2 347.440 2.927 10 5 EFBELO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC[C@@H](CCF)C1 ZINC000598220336 478711094 /nfs/dbraw/zinc/71/10/94/478711094.db2.gz MTEPYFYWRMYCCM-ZDUSSCGKSA-N 1 2 346.362 2.992 10 5 EFBELO CC[C@@H]1C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])CCN1CC(F)F ZINC000595405727 478765238 /nfs/dbraw/zinc/76/52/38/478765238.db2.gz YZHZERCJIOYOJG-CYBMUJFWSA-N 1 2 331.338 2.895 10 5 EFBELO CC[C@@H]1C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])CCN1CC(F)F ZINC000595405727 478765243 /nfs/dbraw/zinc/76/52/43/478765243.db2.gz YZHZERCJIOYOJG-CYBMUJFWSA-N 1 2 331.338 2.895 10 5 EFBELO C[C@@H]1C[C@H]([NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)[C@H](C)O1 ZINC000601299975 478773770 /nfs/dbraw/zinc/77/37/70/478773770.db2.gz WRSALZHCJGDHGP-GUYJKWIASA-N 1 2 330.388 2.573 10 5 EFBELO O=[N+]([O-])c1ccccc1C[N@@H+](Cc1ncccn1)[C@H]1CC[C@H](O)CC1 ZINC000592132862 478789428 /nfs/dbraw/zinc/78/94/28/478789428.db2.gz OHAMCHYUSJPYCY-WKILWMFISA-N 1 2 342.399 2.691 10 5 EFBELO O=[N+]([O-])c1ccccc1C[N@H+](Cc1ncccn1)[C@H]1CC[C@H](O)CC1 ZINC000592132862 478789435 /nfs/dbraw/zinc/78/94/35/478789435.db2.gz OHAMCHYUSJPYCY-WKILWMFISA-N 1 2 342.399 2.691 10 5 EFBELO 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EFBELO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)c1ccc([N+](=O)[O-])cn1 ZINC000574226089 479245835 /nfs/dbraw/zinc/24/58/35/479245835.db2.gz OQFGOLXADSAYSV-JOCQHMNTSA-N 1 2 341.371 2.538 10 5 EFBELO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC2(C1)CC(F)(F)C2 ZINC000610968213 479247168 /nfs/dbraw/zinc/24/71/68/479247168.db2.gz JLJIIGXMMYXCAY-UHFFFAOYSA-N 1 2 348.309 2.652 10 5 EFBELO CS(=O)(=O)CC1(CCNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000596318458 479252577 /nfs/dbraw/zinc/25/25/77/479252577.db2.gz VTVRPIPDUVJBCD-UHFFFAOYSA-N 1 2 349.412 2.770 10 5 EFBELO O=[N+]([O-])c1ccc2[nH]c(NCc3ccc[nH+]c3N3CCCC3)nc2c1 ZINC000596356153 479264183 /nfs/dbraw/zinc/26/41/83/479264183.db2.gz GTPVRSMMNIHZDD-UHFFFAOYSA-N 1 2 338.371 2.500 10 5 EFBELO CC(C)(CNc1ncc([N+](=O)[O-])cc1Br)n1cc[nH+]c1 ZINC000585117980 479291959 /nfs/dbraw/zinc/29/19/59/479291959.db2.gz LPGPKPMPCKMHSM-UHFFFAOYSA-N 1 2 340.181 2.796 10 5 EFBELO COC(=O)c1ccc(C[N@H+](C)Cc2cccc([N+](=O)[O-])c2C)nc1 ZINC000599443030 479298996 /nfs/dbraw/zinc/29/89/96/479298996.db2.gz HCNCFKWHRMMOQG-UHFFFAOYSA-N 1 2 329.356 2.717 10 5 EFBELO COC(=O)c1ccc(C[N@@H+](C)Cc2cccc([N+](=O)[O-])c2C)nc1 ZINC000599443030 479299004 /nfs/dbraw/zinc/29/90/04/479299004.db2.gz HCNCFKWHRMMOQG-UHFFFAOYSA-N 1 2 329.356 2.717 10 5 EFBELO Cc1c(NC(=O)[C@H](C)[NH+]2CC3(C2)CC(F)(F)C3)cccc1[N+](=O)[O-] ZINC000611180346 479305313 /nfs/dbraw/zinc/30/53/13/479305313.db2.gz DTGSMCLAMXKDNP-NSHDSACASA-N 1 2 339.342 2.961 10 5 EFBELO O=[N+]([O-])c1cccc(-c2noc(C[NH+]3CC4(C3)CC(F)(F)C4)n2)c1 ZINC000611180626 479305533 /nfs/dbraw/zinc/30/55/33/479305533.db2.gz MSECVAGETMLFSE-UHFFFAOYSA-N 1 2 336.298 2.876 10 5 EFBELO Cc1cc(N2CC[C@H]3COC[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000596528167 479328941 /nfs/dbraw/zinc/32/89/41/479328941.db2.gz MESVWVSZIQTXTH-LSDHHAIUSA-N 1 2 340.383 2.833 10 5 EFBELO O=[N+]([O-])c1ccccc1C[N@@H+]1CCc2nnc(N3CCCC3)cc2C1 ZINC000596617163 479360784 /nfs/dbraw/zinc/36/07/84/479360784.db2.gz CPWTUBCRLBYABW-UHFFFAOYSA-N 1 2 339.399 2.543 10 5 EFBELO O=[N+]([O-])c1ccccc1C[N@H+]1CCc2nnc(N3CCCC3)cc2C1 ZINC000596617163 479360788 /nfs/dbraw/zinc/36/07/88/479360788.db2.gz CPWTUBCRLBYABW-UHFFFAOYSA-N 1 2 339.399 2.543 10 5 EFBELO Cc1cn2c([nH+]1)C[C@H](C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000599648025 479366869 /nfs/dbraw/zinc/36/68/69/479366869.db2.gz YECBGSUMRZTNBD-CYBMUJFWSA-N 1 2 342.399 2.714 10 5 EFBELO Cc1cn2c([nH+]1)C[C@@H](C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000599648026 479367395 /nfs/dbraw/zinc/36/73/95/479367395.db2.gz YECBGSUMRZTNBD-ZDUSSCGKSA-N 1 2 342.399 2.714 10 5 EFBELO Nc1cc(Nc2ccc(N3CCCCC3)[nH+]c2)cc(CO)c1[N+](=O)[O-] ZINC000587096741 479369749 /nfs/dbraw/zinc/36/97/49/479369749.db2.gz MCQOCUSUDVIIMG-UHFFFAOYSA-N 1 2 343.387 2.798 10 5 EFBELO Nc1cc(NCc2cn3cc(Cl)ccc3[nH+]2)cc(CO)c1[N+](=O)[O-] ZINC000611525168 479404503 /nfs/dbraw/zinc/40/45/03/479404503.db2.gz GXBVNLZFWNVWRI-UHFFFAOYSA-N 1 2 347.762 2.583 10 5 EFBELO CO[C@H]1C[C@H](c2nc(C)no2)[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000588533639 479421535 /nfs/dbraw/zinc/42/15/35/479421535.db2.gz WQIPKJGZRAKYIF-VKDHPCIHSA-N 1 2 344.371 2.761 10 5 EFBELO CO[C@H]1C[C@H](c2nc(C)no2)[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000588533639 479421541 /nfs/dbraw/zinc/42/15/41/479421541.db2.gz WQIPKJGZRAKYIF-VKDHPCIHSA-N 1 2 344.371 2.761 10 5 EFBELO COCc1cc[nH+]c(N[C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000593695677 479426371 /nfs/dbraw/zinc/42/63/71/479426371.db2.gz DMOHWWACIPFMCK-LBPRGKRZSA-N 1 2 344.371 2.965 10 5 EFBELO Cc1ncc(C[NH+]2CCN(c3nc(C)cc(C)c3[N+](=O)[O-])CC2)s1 ZINC000611615847 479429634 /nfs/dbraw/zinc/42/96/34/479429634.db2.gz DAZAEXCVNGEPHZ-UHFFFAOYSA-N 1 2 347.444 2.694 10 5 EFBELO COCc1cc[nH+]c(N[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000593725503 479435426 /nfs/dbraw/zinc/43/54/26/479435426.db2.gz NIYXTSHWTCEJLX-KGLIPLIRSA-N 1 2 331.376 2.929 10 5 EFBELO C[C@@H]1CN(c2ccc(CNc3cccnc3[N+](=O)[O-])c[nH+]2)C[C@@H](C)O1 ZINC000603858448 479440591 /nfs/dbraw/zinc/44/05/91/479440591.db2.gz CUJXYLGUAHGLLV-CHWSQXEVSA-N 1 2 343.387 2.611 10 5 EFBELO C[C@@H]1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)C[C@@H]1n1cc[nH+]c1 ZINC000611706783 479451879 /nfs/dbraw/zinc/45/18/79/479451879.db2.gz HDEDLRPDMPQLII-WBMJQRKESA-N 1 2 338.371 2.822 10 5 EFBELO Cc1cn2c([nH+]1)CN(C(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])CC2 ZINC000618470413 479459018 /nfs/dbraw/zinc/45/90/18/479459018.db2.gz CEXOSGNJTGRQQD-UHFFFAOYSA-N 1 2 334.763 2.718 10 5 EFBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)Cc2cccc(O)c2)c1 ZINC000589494247 479534415 /nfs/dbraw/zinc/53/44/15/479534415.db2.gz FXSVRMPMRUQQPC-UHFFFAOYSA-N 1 2 330.340 2.719 10 5 EFBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)Cc2cccc(O)c2)c1 ZINC000589494247 479534422 /nfs/dbraw/zinc/53/44/22/479534422.db2.gz FXSVRMPMRUQQPC-UHFFFAOYSA-N 1 2 330.340 2.719 10 5 EFBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)c1 ZINC000589520536 479536887 /nfs/dbraw/zinc/53/68/87/479536887.db2.gz WYOABLFQRBKWJF-JKSUJKDBSA-N 1 2 348.399 2.771 10 5 EFBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)c1 ZINC000589520536 479536894 /nfs/dbraw/zinc/53/68/94/479536894.db2.gz WYOABLFQRBKWJF-JKSUJKDBSA-N 1 2 348.399 2.771 10 5 EFBELO C[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC2(CCCCC2)O1 ZINC000594057541 479572732 /nfs/dbraw/zinc/57/27/32/479572732.db2.gz HFVVFGILGSGTOW-CYBMUJFWSA-N 1 2 347.415 2.617 10 5 EFBELO C[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC2(CCCCC2)O1 ZINC000594057541 479572736 /nfs/dbraw/zinc/57/27/36/479572736.db2.gz HFVVFGILGSGTOW-CYBMUJFWSA-N 1 2 347.415 2.617 10 5 EFBELO COc1cc(C[N@@H+]2CCO[C@@](C)(C3CC3)C2)c([N+](=O)[O-])cc1OC ZINC000597179140 479607365 /nfs/dbraw/zinc/60/73/65/479607365.db2.gz GOXMAIBXNKNHNJ-QGZVFWFLSA-N 1 2 336.388 2.613 10 5 EFBELO COc1cc(C[N@H+]2CCO[C@@](C)(C3CC3)C2)c([N+](=O)[O-])cc1OC ZINC000597179140 479607368 /nfs/dbraw/zinc/60/73/68/479607368.db2.gz GOXMAIBXNKNHNJ-QGZVFWFLSA-N 1 2 336.388 2.613 10 5 EFBELO C[C@H](C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000612538923 479688497 /nfs/dbraw/zinc/68/84/97/479688497.db2.gz BEPACDPAIGHSQL-GXTWGEPZSA-N 1 2 346.362 2.898 10 5 EFBELO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1nnc2n1CCCCC2 ZINC000613062748 479858571 /nfs/dbraw/zinc/85/85/71/479858571.db2.gz ZMZQCJHXSFCXDH-GFCCVEGCSA-N 1 2 345.403 2.772 10 5 EFBELO Cc1cccn2cc(CCNC(=O)c3ccc([N+](=O)[O-])cc3C)[nH+]c12 ZINC000610435137 480304625 /nfs/dbraw/zinc/30/46/25/480304625.db2.gz YGBQVKODTXDXHM-UHFFFAOYSA-N 1 2 338.367 2.832 10 5 EFBELO CC[C@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1cccc([N+](=O)[O-])c1 ZINC000156518636 522513624 /nfs/dbraw/zinc/51/36/24/522513624.db2.gz HLOKDLMPJPYBJU-ZFWWWQNUSA-N 1 2 328.372 2.621 10 5 EFBELO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000195506686 524272716 /nfs/dbraw/zinc/27/27/16/524272716.db2.gz QSWYWTQLBIPESY-LBPRGKRZSA-N 1 2 343.387 2.525 10 5 EFBELO Cc1ccc(C[N@@H+](C)[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)o1 ZINC000067374803 524401857 /nfs/dbraw/zinc/40/18/57/524401857.db2.gz AISHWHYWXBTADK-INIZCTEOSA-N 1 2 329.356 2.734 10 5 EFBELO Cc1ccc(C[N@H+](C)[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)o1 ZINC000067374803 524401860 /nfs/dbraw/zinc/40/18/60/524401860.db2.gz AISHWHYWXBTADK-INIZCTEOSA-N 1 2 329.356 2.734 10 5 EFBELO Cc1ccc(C[NH+]2CCN(c3cc(C4CC4)[nH]n3)CC2)cc1[N+](=O)[O-] ZINC000189906144 524461868 /nfs/dbraw/zinc/46/18/68/524461868.db2.gz ZIVNUSKUBQNOJQ-UHFFFAOYSA-N 1 2 341.415 2.826 10 5 EFBELO C[C@H](C(=O)N1CCC[C@H]1Cn1cc[nH+]c1)c1ccc([N+](=O)[O-])cc1F ZINC000183052972 525978751 /nfs/dbraw/zinc/97/87/51/525978751.db2.gz RODXHVZTQFLQLX-JSGCOSHPSA-N 1 2 346.362 2.725 10 5 EFBELO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000195506688 526161379 /nfs/dbraw/zinc/16/13/79/526161379.db2.gz QSWYWTQLBIPESY-GFCCVEGCSA-N 1 2 343.387 2.525 10 5 EFBELO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000177816668 526606993 /nfs/dbraw/zinc/60/69/93/526606993.db2.gz WNVDLVZEGSUNQS-ZDUSSCGKSA-N 1 2 334.763 2.750 10 5 EFBELO O=C(NC1CCN(c2cccc[nH+]2)CC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000077509851 527536258 /nfs/dbraw/zinc/53/62/58/527536258.db2.gz HEBLBYIKGQPTLX-UHFFFAOYSA-N 1 2 344.346 2.528 10 5 EFBELO CC(C)(C)c1cc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)no1 ZINC000351712828 535107672 /nfs/dbraw/zinc/10/76/72/535107672.db2.gz ROWUCOPIFILVIX-GFCCVEGCSA-N 1 2 345.403 2.962 10 5 EFBELO CC(C)(C)c1cc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)no1 ZINC000351712828 535107676 /nfs/dbraw/zinc/10/76/76/535107676.db2.gz ROWUCOPIFILVIX-GFCCVEGCSA-N 1 2 345.403 2.962 10 5 EFBELO CCN(c1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CCOC1 ZINC000359969654 535406863 /nfs/dbraw/zinc/40/68/63/535406863.db2.gz VQIUUHAJXWRORB-HNNXBMFYSA-N 1 2 328.372 2.975 10 5 EFBELO COc1cc(C[N@@H+]2CCO[C@H](C3CCC3)C2)c([N+](=O)[O-])cc1OC ZINC000414467081 536764897 /nfs/dbraw/zinc/76/48/97/536764897.db2.gz AMMYFTBBJIIQKA-KRWDZBQOSA-N 1 2 336.388 2.613 10 5 EFBELO COc1cc(C[N@H+]2CCO[C@H](C3CCC3)C2)c([N+](=O)[O-])cc1OC ZINC000414467081 536764903 /nfs/dbraw/zinc/76/49/03/536764903.db2.gz AMMYFTBBJIIQKA-KRWDZBQOSA-N 1 2 336.388 2.613 10 5 EFBELO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000754871508 575506921 /nfs/dbraw/zinc/50/69/21/575506921.db2.gz HVTWLPIWFGZFTG-JLHYYAGUSA-N 1 2 336.351 2.962 10 5 EFBELO O=C(C[N@@H+]1CC[C@@H]2C[C@@H]21)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000761080651 576110989 /nfs/dbraw/zinc/11/09/89/576110989.db2.gz DVMCXPQOEHVABB-RISCZKNCSA-N 1 2 344.396 2.751 10 5 EFBELO O=C(C[N@H+]1CC[C@@H]2C[C@@H]21)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000761080651 576110990 /nfs/dbraw/zinc/11/09/90/576110990.db2.gz DVMCXPQOEHVABB-RISCZKNCSA-N 1 2 344.396 2.751 10 5 EFBELO Cc1ncc([N+](=O)[O-])cc1-c1nc(-c2ccnc(-n3cc[nH+]c3)c2)no1 ZINC000762055173 576250385 /nfs/dbraw/zinc/25/03/85/576250385.db2.gz QJTFWXIGZDZXDJ-UHFFFAOYSA-N 1 2 349.310 2.596 10 5 EFBELO Cc1ccc(COC(=O)COc2ccc([N+](=O)[O-])c(F)c2)c(C)[nH+]1 ZINC000772062670 581277589 /nfs/dbraw/zinc/27/75/89/581277589.db2.gz CAQBFSMUOCTYNE-UHFFFAOYSA-N 1 2 334.303 2.868 10 5 EFBELO O=[N+]([O-])c1nn(C[NH+]2C[C@@H]3CCCC[C@H]3C2)cc1Br ZINC000749977866 1255706653 /nfs/dbraw/zinc/70/66/53/1255706653.db2.gz RKKYJPMKHITGIM-UWVGGRQHSA-N 1 2 329.198 2.633 10 5 EFBELO CN(C)Cc1csc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])n1 ZINC000903220203 1259945082 /nfs/dbraw/zinc/94/50/82/1259945082.db2.gz MEGMIGZYZQEVQR-AWEZNQCLSA-N 1 2 332.429 2.890 10 5 EFBELO CNc1cc(CNC(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])cc[nH+]1 ZINC001687490790 1262571268 /nfs/dbraw/zinc/57/12/68/1262571268.db2.gz CQYKUGISOPUJAV-NSHDSACASA-N 1 2 329.360 2.592 10 5 EFBELO Nc1cc(COC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)cc[nH+]1 ZINC000792133759 1278572586 /nfs/dbraw/zinc/57/25/86/1278572586.db2.gz FSYMAWDZINPGOB-UHFFFAOYSA-N 1 2 341.245 2.948 10 5 EFBELO O=C(C[N@@H+]1CC[C@]2(CC2(F)F)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000844469558 1279026232 /nfs/dbraw/zinc/02/62/32/1279026232.db2.gz CLQOVRKTKMCLDI-ZDUSSCGKSA-N 1 2 345.733 2.918 10 5 EFBELO O=C(C[N@H+]1CC[C@]2(CC2(F)F)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000844469558 1279026244 /nfs/dbraw/zinc/02/62/44/1279026244.db2.gz CLQOVRKTKMCLDI-ZDUSSCGKSA-N 1 2 345.733 2.918 10 5 EFBELO O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000790152446 1277330212 /nfs/dbraw/zinc/33/02/12/1277330212.db2.gz FTBKJAXAFZQGIL-GFCCVEGCSA-N 1 2 347.758 2.937 10 5 EFBELO CCOC(=O)[C@@H]1C[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)CCC1(F)F ZINC001175003193 1287278486 /nfs/dbraw/zinc/27/84/86/1287278486.db2.gz GNQIADOSCPIGNL-ZDUSSCGKSA-N 1 2 342.342 2.924 10 5 EFBELO CCOC(=O)[C@@H]1C[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)CCC1(F)F ZINC001175003193 1287278494 /nfs/dbraw/zinc/27/84/94/1287278494.db2.gz GNQIADOSCPIGNL-ZDUSSCGKSA-N 1 2 342.342 2.924 10 5 EFBELO C[C@H]([NH2+]CCS(=O)(=O)C(C)(C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872044829 1287409257 /nfs/dbraw/zinc/40/92/57/1287409257.db2.gz FZAAWRRVINUXHO-JTQLQIEISA-N 1 2 332.397 2.598 10 5 EFBELO C[C@@H]1CCN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000804547704 1280272066 /nfs/dbraw/zinc/27/20/66/1280272066.db2.gz ACDARCLNJKKXQA-BXUZGUMPSA-N 1 2 331.332 2.787 10 5 EFBELO Cc1ccc(N2CC(n3cc[nH+]c3)C2)c([N+](=O)[O-])c1Br ZINC000804546165 1280272511 /nfs/dbraw/zinc/27/25/11/1280272511.db2.gz KTSCAJQZUQPRAE-UHFFFAOYSA-N 1 2 337.177 2.924 10 5 EFBELO C[C@H]([NH2+]CC(=O)NCCc1ccccc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872054859 1287413176 /nfs/dbraw/zinc/41/31/76/1287413176.db2.gz CNEQLMJBYRRQKE-ZDUSSCGKSA-N 1 2 345.374 2.743 10 5 EFBELO CC(C)(CCC(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)[N+](=O)[O-] ZINC000846654610 1280368488 /nfs/dbraw/zinc/36/84/88/1280368488.db2.gz MFSYURVPFXSXJO-HDJSIYSDSA-N 1 2 334.420 2.756 10 5 EFBELO CC(=O)Nc1ccc(C[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])cn1 ZINC000872067643 1287418968 /nfs/dbraw/zinc/41/89/68/1287418968.db2.gz RDBUDONTVAPXPU-SNVBAGLBSA-N 1 2 332.335 2.938 10 5 EFBELO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@H]([C@@H]2COC(C)(C)O2)C1 ZINC000872099712 1287428478 /nfs/dbraw/zinc/42/84/78/1287428478.db2.gz QMVKHTWFZKDTIZ-KCXAZCMYSA-N 1 2 336.388 2.508 10 5 EFBELO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@H]([C@@H]2COC(C)(C)O2)C1 ZINC000872099712 1287428485 /nfs/dbraw/zinc/42/84/85/1287428485.db2.gz QMVKHTWFZKDTIZ-KCXAZCMYSA-N 1 2 336.388 2.508 10 5 EFBELO Cn1ccnc1[C@H]([NH2+]C[C@@H]1CC(C)(C)CO1)c1cccc([N+](=O)[O-])c1 ZINC000872107523 1287430767 /nfs/dbraw/zinc/43/07/67/1287430767.db2.gz ZDHPSKSSSUFLMN-JKSUJKDBSA-N 1 2 344.415 2.822 10 5 EFBELO O=C(CCCn1cc[nH+]c1)Nc1nccc2ccc([N+](=O)[O-])cc21 ZINC001130956764 1281321517 /nfs/dbraw/zinc/32/15/17/1281321517.db2.gz GCBWKIKPAJTVNK-UHFFFAOYSA-N 1 2 325.328 2.758 10 5 EFBELO Cc1nc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)oc1C ZINC001147961980 1281379263 /nfs/dbraw/zinc/37/92/63/1281379263.db2.gz KQRVSZMIVVKACF-UHFFFAOYSA-N 1 2 327.300 2.638 10 5 EFBELO C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)c1ccns1 ZINC001131850117 1282444358 /nfs/dbraw/zinc/44/43/58/1282444358.db2.gz YAMGQWCCAPAIQE-JTQLQIEISA-N 1 2 343.368 2.728 10 5 EFBELO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)c1ccns1 ZINC001131850119 1282445608 /nfs/dbraw/zinc/44/56/08/1282445608.db2.gz YAMGQWCCAPAIQE-SNVBAGLBSA-N 1 2 343.368 2.728 10 5 EFBELO O=C(NCC[C@@H]1C[C@H]1C1CC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001133522477 1285518917 /nfs/dbraw/zinc/51/89/17/1285518917.db2.gz TVHAGCGIHXOZSZ-HIFRSBDPSA-N 1 2 340.383 2.947 10 5 EFBELO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCc3cc(F)cc(F)c3C2)cc1 ZINC001177027037 1288233187 /nfs/dbraw/zinc/23/31/87/1288233187.db2.gz BMAQPPJTKKXGQC-KRWDZBQOSA-N 1 2 334.322 2.965 10 5 EFBELO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCc3cc(F)cc(F)c3C2)cc1 ZINC001177027037 1288233191 /nfs/dbraw/zinc/23/31/91/1288233191.db2.gz BMAQPPJTKKXGQC-KRWDZBQOSA-N 1 2 334.322 2.965 10 5 EFBELO Cc1nn(C[N@@H+]2CCCN(c3ccccc3F)CC2)c(C)c1[N+](=O)[O-] ZINC000795728605 1291340221 /nfs/dbraw/zinc/34/02/21/1291340221.db2.gz PPLJOYGWPSWAEK-UHFFFAOYSA-N 1 2 347.394 2.717 10 5 EFBELO Cc1nn(C[N@H+]2CCCN(c3ccccc3F)CC2)c(C)c1[N+](=O)[O-] ZINC000795728605 1291340227 /nfs/dbraw/zinc/34/02/27/1291340227.db2.gz PPLJOYGWPSWAEK-UHFFFAOYSA-N 1 2 347.394 2.717 10 5 EFBELO C[C@@H]([NH2+]Cc1cccnc1[N+](=O)[O-])c1ccc(Br)cn1 ZINC001193965202 1293489700 /nfs/dbraw/zinc/48/97/00/1293489700.db2.gz XEWBAFYXWASUAA-SECBINFHSA-N 1 2 337.177 2.998 10 5 EFBELO C[C@@H]([NH2+]Cc1nc2ccccc2c(=O)n1C)c1ccc([N+](=O)[O-])cc1 ZINC001197646580 1294641705 /nfs/dbraw/zinc/64/17/05/1294641705.db2.gz HEQYWPZUCRJKSC-GFCCVEGCSA-N 1 2 338.367 2.693 10 5 EFBELO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCc3ccc(F)c(F)c3C2)cc1 ZINC000776278482 1297350810 /nfs/dbraw/zinc/35/08/10/1297350810.db2.gz TYLDQDLMHDJIDV-MRXNPFEDSA-N 1 2 334.322 2.965 10 5 EFBELO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCc3ccc(F)c(F)c3C2)cc1 ZINC000776278482 1297350824 /nfs/dbraw/zinc/35/08/24/1297350824.db2.gz TYLDQDLMHDJIDV-MRXNPFEDSA-N 1 2 334.322 2.965 10 5 EFBELO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCO[C@@H](c3cccs3)C2)cc1 ZINC000776585988 1299651461 /nfs/dbraw/zinc/65/14/61/1299651461.db2.gz GLRXHNBAJWTKDF-HUUCEWRRSA-N 1 2 334.397 2.763 10 5 EFBELO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCO[C@@H](c3cccs3)C2)cc1 ZINC000776585988 1299651464 /nfs/dbraw/zinc/65/14/64/1299651464.db2.gz GLRXHNBAJWTKDF-HUUCEWRRSA-N 1 2 334.397 2.763 10 5 EFBELO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCO[C@@H](c3cccs3)C2)cc1 ZINC000776585989 1299651510 /nfs/dbraw/zinc/65/15/10/1299651510.db2.gz GLRXHNBAJWTKDF-LSDHHAIUSA-N 1 2 334.397 2.763 10 5 EFBELO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCO[C@@H](c3cccs3)C2)cc1 ZINC000776585989 1299651516 /nfs/dbraw/zinc/65/15/16/1299651516.db2.gz GLRXHNBAJWTKDF-LSDHHAIUSA-N 1 2 334.397 2.763 10 5 EFBELO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)ccc1Cl ZINC000859888660 1301619759 /nfs/dbraw/zinc/61/97/59/1301619759.db2.gz IBTLPEXPACCOOZ-IDFMNXDXSA-N 1 2 328.821 2.734 10 5 EFBELO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)ccc1Cl ZINC000859888660 1301619767 /nfs/dbraw/zinc/61/97/67/1301619767.db2.gz IBTLPEXPACCOOZ-IDFMNXDXSA-N 1 2 328.821 2.734 10 5 EFBELO C[N@H+](C[C@H]1CC=CCC1)Cn1nc(-c2ccccc2[N+](=O)[O-])oc1=O ZINC000794639734 1302847084 /nfs/dbraw/zinc/84/70/84/1302847084.db2.gz OAKQGLYIAGPJFR-ZDUSSCGKSA-N 1 2 344.371 2.657 10 5 EFBELO C[N@@H+](C[C@H]1CC=CCC1)Cn1nc(-c2ccccc2[N+](=O)[O-])oc1=O ZINC000794639734 1302847093 /nfs/dbraw/zinc/84/70/93/1302847093.db2.gz OAKQGLYIAGPJFR-ZDUSSCGKSA-N 1 2 344.371 2.657 10 5 EFBELO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000794645876 1302849615 /nfs/dbraw/zinc/84/96/15/1302849615.db2.gz PZQJBNBSQFLUPR-VIFPVBQESA-N 1 2 345.277 2.735 10 5 EFBELO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000794645876 1302849624 /nfs/dbraw/zinc/84/96/24/1302849624.db2.gz PZQJBNBSQFLUPR-VIFPVBQESA-N 1 2 345.277 2.735 10 5 EFBELO COc1ccc(C[NH2+]Cc2nn(C)cc2C(F)F)cc1[N+](=O)[O-] ZINC000865808688 1303411332 /nfs/dbraw/zinc/41/13/32/1303411332.db2.gz AOMKWKIKCDVCMI-UHFFFAOYSA-N 1 2 326.303 2.564 10 5 EFBELO O=[N+]([O-])c1cc(-c2cc([C@@H]3COCC[NH2+]3)on2)ccc1N1CCCC1 ZINC000901397683 1310338801 /nfs/dbraw/zinc/33/88/01/1310338801.db2.gz DDFJISADOFSZGG-AWEZNQCLSA-N 1 2 344.371 2.511 10 5 EFBELO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCOc3cccc(F)c3C2)cc1 ZINC000801583790 1310558535 /nfs/dbraw/zinc/55/85/35/1310558535.db2.gz NONVIHLIJTZWOG-INIZCTEOSA-N 1 2 332.331 2.662 10 5 EFBELO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCOc3cccc(F)c3C2)cc1 ZINC000801583790 1310558543 /nfs/dbraw/zinc/55/85/43/1310558543.db2.gz NONVIHLIJTZWOG-INIZCTEOSA-N 1 2 332.331 2.662 10 5 EFBELO Cc1cn2cc(NC(=O)c3cc([N+](=O)[O-])c(F)cc3N)ccc2[nH+]1 ZINC000801868493 1311035069 /nfs/dbraw/zinc/03/50/69/1311035069.db2.gz WHAZGLLLDSBYBB-UHFFFAOYSA-N 1 2 329.291 2.525 10 5 EFBELO COc1cc(COC(=O)[C@@H](c2ccccc2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000780089998 1311615232 /nfs/dbraw/zinc/61/52/32/1311615232.db2.gz QSLZTIFOUDNYPR-QGZVFWFLSA-N 1 2 344.367 2.950 10 5 EFBELO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cn1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001161012621 1311836438 /nfs/dbraw/zinc/83/64/38/1311836438.db2.gz FRNUCBQZKSNVNV-GFCCVEGCSA-N 1 2 337.339 2.667 10 5 EFBELO O=[N+]([O-])c1cccc(F)c1N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC001163957357 1312414404 /nfs/dbraw/zinc/41/44/04/1312414404.db2.gz ABJUTCXGTXMIMA-UHFFFAOYSA-N 1 2 331.347 2.762 10 5 EFBELO CC[C@H]1COCC[N@@H+]1CCNc1nc2ccc([N+](=O)[O-])cc2s1 ZINC001164077638 1312442386 /nfs/dbraw/zinc/44/23/86/1312442386.db2.gz QIKSHQRKAWNBMW-NSHDSACASA-N 1 2 336.417 2.727 10 5 EFBELO CC[C@H]1COCC[N@H+]1CCNc1nc2ccc([N+](=O)[O-])cc2s1 ZINC001164077638 1312442389 /nfs/dbraw/zinc/44/23/89/1312442389.db2.gz QIKSHQRKAWNBMW-NSHDSACASA-N 1 2 336.417 2.727 10 5 EFBELO C/C=C(/C)C(=O)NCC1=CC[N@H+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001279528021 1317286175 /nfs/dbraw/zinc/28/61/75/1317286175.db2.gz NMPIUVNWVLUMEP-BASWHVEKSA-N 1 2 335.429 2.871 10 5 EFBELO C/C=C(/C)C(=O)NCC1=CC[N@@H+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001279528021 1317286183 /nfs/dbraw/zinc/28/61/83/1317286183.db2.gz NMPIUVNWVLUMEP-BASWHVEKSA-N 1 2 335.429 2.871 10 5 EFBELO C[C@@H](NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC001291742676 1322005302 /nfs/dbraw/zinc/00/53/02/1322005302.db2.gz RZDQWDWKLSRTOO-BDJLRTHQSA-N 1 2 343.387 2.576 10 5 EFBELO C[C@@H](NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC001291742676 1322005309 /nfs/dbraw/zinc/00/53/09/1322005309.db2.gz RZDQWDWKLSRTOO-BDJLRTHQSA-N 1 2 343.387 2.576 10 5 EFBELO COc1cccc(C[NH+]2CCN(c3sccc3[N+](=O)[O-])CC2)c1 ZINC001307190264 1322680673 /nfs/dbraw/zinc/68/06/73/1322680673.db2.gz RTNXQUKZOXKMCZ-UHFFFAOYSA-N 1 2 333.413 2.987 10 5 EFBELO CNc1cc(CNc2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])cc[nH+]1 ZINC001307214713 1324752016 /nfs/dbraw/zinc/75/20/16/1324752016.db2.gz QILAGUZZYLAMJT-GQCTYLIASA-N 1 2 342.355 2.830 10 5 EFBELO CC[C@@H]1C[N@H+](CC[N+](=O)[O-])[C@@H](CC)CN1C(=O)OCc1ccccc1 ZINC001307482248 1324770775 /nfs/dbraw/zinc/77/07/75/1324770775.db2.gz MBFUIDXHQMIFEK-DLBZAZTESA-N 1 2 349.431 2.775 10 5 EFBELO CC[C@@H]1C[N@@H+](CC[N+](=O)[O-])[C@@H](CC)CN1C(=O)OCc1ccccc1 ZINC001307482248 1324770779 /nfs/dbraw/zinc/77/07/79/1324770779.db2.gz MBFUIDXHQMIFEK-DLBZAZTESA-N 1 2 349.431 2.775 10 5 EFBELO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCO[C@@H](C(C)(C)C)CC1 ZINC001308168579 1324798416 /nfs/dbraw/zinc/79/84/16/1324798416.db2.gz KNRMKIBDYOOFNV-OAHLLOKOSA-N 1 2 349.431 2.979 10 5 EFBELO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCO[C@@H](C(C)(C)C)CC1 ZINC001308168579 1324798420 /nfs/dbraw/zinc/79/84/20/1324798420.db2.gz KNRMKIBDYOOFNV-OAHLLOKOSA-N 1 2 349.431 2.979 10 5 EFBELO Cc1cc(C(=O)N2CCC(Cc3c[nH]c[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC001349597578 1332974063 /nfs/dbraw/zinc/97/40/63/1332974063.db2.gz BLADPJYIJSYJEG-UHFFFAOYSA-N 1 2 328.372 2.721 10 5 EFBELO Cc1csc(N(C)C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)n1 ZINC001354798313 1334525116 /nfs/dbraw/zinc/52/51/16/1334525116.db2.gz VYRGTBQIZCOQJZ-UHFFFAOYSA-N 1 2 343.368 2.822 10 5 EFBELO COc1ccc(NC(=O)c2ccn3c(C)c[nH+]c3c2)cc1[N+](=O)[O-] ZINC001357452606 1335308190 /nfs/dbraw/zinc/30/81/90/1335308190.db2.gz BELQLZAMRWTKDB-UHFFFAOYSA-N 1 2 326.312 2.812 10 5 EFBELO Cc1cc(OCC(=O)Nc2ccn3cc[nH+]c3c2)ccc1[N+](=O)[O-] ZINC001436596850 1387270241 /nfs/dbraw/zinc/27/02/41/1387270241.db2.gz IZVPMSWKAAIABD-UHFFFAOYSA-N 1 2 326.312 2.568 10 5 EFBELO Cc1c[nH+]c2cc(C(=O)N3CCc4c3ccc([N+](=O)[O-])c4F)ccn12 ZINC001460264291 1396018190 /nfs/dbraw/zinc/01/81/90/1396018190.db2.gz LLBZYMNBIQALCJ-UHFFFAOYSA-N 1 2 340.314 2.893 10 5 EFBELO C[C@H]([NH2+]Cc1nc2ccccc2c(=O)n1C)c1ccc([N+](=O)[O-])cc1 ZINC001460747216 1396249847 /nfs/dbraw/zinc/24/98/47/1396249847.db2.gz HEQYWPZUCRJKSC-LBPRGKRZSA-N 1 2 338.367 2.693 10 5 EFBELO C[C@@H](CC(=O)Nc1nccc2c1cccc2[N+](=O)[O-])n1cc[nH+]c1 ZINC001461452030 1396381225 /nfs/dbraw/zinc/38/12/25/1396381225.db2.gz RVQGBRCUEGECNP-NSHDSACASA-N 1 2 325.328 2.929 10 5 EFBELO O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)Nc1cccc([N+](=O)[O-])c1 ZINC001463667491 1396512064 /nfs/dbraw/zinc/51/20/64/1396512064.db2.gz VYTOQXFAMRSBLD-NSHDSACASA-N 1 2 328.250 2.924 10 5 EFBELO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1[nH]c(C)c(C)[nH+]1 ZINC001465749462 1396708575 /nfs/dbraw/zinc/70/85/75/1396708575.db2.gz YNNAQXGAKXXVLN-UHFFFAOYSA-N 1 2 334.401 2.977 10 5 EFBELO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC001466003846 1396731038 /nfs/dbraw/zinc/73/10/38/1396731038.db2.gz JNOUHEABHNHXTI-BZNIZROVSA-N 1 2 346.362 2.962 10 5 EFBELO CC(F)(F)C(=O)NCC1=CC[N@H+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001508186603 1407332179 /nfs/dbraw/zinc/33/21/79/1407332179.db2.gz AFOBSGVMIPHZJV-UHFFFAOYSA-N 1 2 345.371 2.560 10 5 EFBELO CC(F)(F)C(=O)NCC1=CC[N@@H+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001508186603 1407332186 /nfs/dbraw/zinc/33/21/86/1407332186.db2.gz AFOBSGVMIPHZJV-UHFFFAOYSA-N 1 2 345.371 2.560 10 5 EFBELO C[C@@H]1CCC[C@H](C)N1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001556554388 1415076339 /nfs/dbraw/zinc/07/63/39/1415076339.db2.gz GEKIJFKGUUUXTQ-BETUJISGSA-N 1 2 343.387 2.688 10 5 EFBELO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC=C(Cl)C1 ZINC001557313805 1415119666 /nfs/dbraw/zinc/11/96/66/1415119666.db2.gz CUJDAQUGYQSVKO-UHFFFAOYSA-N 1 2 332.747 2.749 10 5 EFBELO C[C@H](C[NH+]1CCOCC1)Nc1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC001559069555 1415222765 /nfs/dbraw/zinc/22/27/65/1415222765.db2.gz VGGVLAAHDPCWCP-SNVBAGLBSA-N 1 2 333.310 2.746 10 5 EFBELO CC[C@H]1COCC[N@@H+]1CCNc1nc2ccccc2cc1[N+](=O)[O-] ZINC001559272823 1415235889 /nfs/dbraw/zinc/23/58/89/1415235889.db2.gz NZGWNNOHCXWRIH-AWEZNQCLSA-N 1 2 330.388 2.666 10 5 EFBELO CC[C@H]1COCC[N@H+]1CCNc1nc2ccccc2cc1[N+](=O)[O-] ZINC001559272823 1415235891 /nfs/dbraw/zinc/23/58/91/1415235891.db2.gz NZGWNNOHCXWRIH-AWEZNQCLSA-N 1 2 330.388 2.666 10 5 EFBELO C[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Br)C[C@@H]1O ZINC001559706184 1415253532 /nfs/dbraw/zinc/25/35/32/1415253532.db2.gz KEUDWLYOLDLXQC-ZANVPECISA-N 1 2 329.194 2.560 10 5 EFBELO C[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Br)C[C@@H]1O ZINC001559706184 1415253535 /nfs/dbraw/zinc/25/35/35/1415253535.db2.gz KEUDWLYOLDLXQC-ZANVPECISA-N 1 2 329.194 2.560 10 5 EFBELO Cc1[nH]c([C@H]2CCCN2CC(=O)Nc2ccccc2[N+](=O)[O-])[nH+]c1C ZINC001560138333 1415264963 /nfs/dbraw/zinc/26/49/63/1415264963.db2.gz QHEWCYVBAZPPJW-OAHLLOKOSA-N 1 2 343.387 2.710 10 5 EFBELO O=[N+]([O-])c1ccc(C[NH2+][C@H](CO)c2cc(F)ccc2F)cc1F ZINC001560224636 1415268612 /nfs/dbraw/zinc/26/86/12/1415268612.db2.gz BHZRIYZEUWBQKR-CQSZACIVSA-N 1 2 326.274 2.835 10 5 EFBELO C[C@@H]1CC=CC[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000890770197 713459642 /nfs/dbraw/zinc/45/96/42/713459642.db2.gz SPOAMEFSCCKWSJ-TZMCWYRMSA-N 1 2 326.356 2.865 10 5 EFBELO Cc1nn(C)c(Cl)c1C[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000788009832 713974971 /nfs/dbraw/zinc/97/49/71/713974971.db2.gz WUQCBARWBLURIA-UHFFFAOYSA-N 1 2 338.795 2.801 10 5 EFBELO Cc1nn(C)c(Cl)c1C[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000788009832 713974974 /nfs/dbraw/zinc/97/49/74/713974974.db2.gz WUQCBARWBLURIA-UHFFFAOYSA-N 1 2 338.795 2.801 10 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/nfs/dbraw/zinc/72/71/09/727727109.db2.gz AMJWDECMBUKLOW-CYBMUJFWSA-N 1 2 334.763 2.639 10 5 EFBELO O=[N+]([O-])c1ccc(NC2CCN(c3cccc[nH+]3)CC2)c2nonc21 ZINC000917067310 727763000 /nfs/dbraw/zinc/76/30/00/727763000.db2.gz GIBVUEFSBIUEAN-UHFFFAOYSA-N 1 2 340.343 2.607 10 5 EFBELO O=C(CCCn1cc[nH+]c1)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC000913385003 727830673 /nfs/dbraw/zinc/83/06/73/727830673.db2.gz MAMKDENXQCADJE-UHFFFAOYSA-N 1 2 340.742 2.680 10 5 EFBELO C[C@@H](O)C1CC[NH+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)CC1 ZINC000173357465 728623659 /nfs/dbraw/zinc/62/36/59/728623659.db2.gz UKYNLFMWUBDYEG-SNVBAGLBSA-N 1 2 337.401 2.922 10 5 EFBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCc3cc(O)ccc3C2)c1 ZINC001620684690 1091149929 /nfs/dbraw/zinc/14/99/29/1091149929.db2.gz RIMHZRXOVDWAKR-UHFFFAOYSA-N 1 2 342.351 2.645 10 5 EFBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCc3cc(O)ccc3C2)c1 ZINC001620684690 1091149935 /nfs/dbraw/zinc/14/99/35/1091149935.db2.gz RIMHZRXOVDWAKR-UHFFFAOYSA-N 1 2 342.351 2.645 10 5 EFBELO CCOc1cc([N+](=O)[O-])c(C(=O)Nc2c(C)c[nH+]cc2C)cc1OC ZINC001584249741 1092132131 /nfs/dbraw/zinc/13/21/31/1092132131.db2.gz CDPCOGIDYFDBKG-UHFFFAOYSA-N 1 2 345.355 2.688 10 5 EFBELO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001584614638 1092219519 /nfs/dbraw/zinc/21/95/19/1092219519.db2.gz JWAWREMWTASSDS-LLVKDONJSA-N 1 2 332.335 2.785 10 5 EFBELO C[C@@H](CC(=O)Nc1nccc2ccc([N+](=O)[O-])cc21)n1cc[nH+]c1 ZINC001586998756 1092774983 /nfs/dbraw/zinc/77/49/83/1092774983.db2.gz BMDOWVVGFKZAGH-NSHDSACASA-N 1 2 325.328 2.929 10 5 EFBELO C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccns1 ZINC001587572410 1092824221 /nfs/dbraw/zinc/82/42/21/1092824221.db2.gz QTQXKCDCIVQBRL-SNVBAGLBSA-N 1 2 343.368 2.728 10 5 EFBELO C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccns1 ZINC001587572409 1092824467 /nfs/dbraw/zinc/82/44/67/1092824467.db2.gz QTQXKCDCIVQBRL-JTQLQIEISA-N 1 2 343.368 2.728 10 5 EFBELO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001587585012 1092825681 /nfs/dbraw/zinc/82/56/81/1092825681.db2.gz XQOFWZPZNIVFMG-UHFFFAOYSA-N 1 2 332.335 2.785 10 5 EFBELO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC001587585012 1092825686 /nfs/dbraw/zinc/82/56/86/1092825686.db2.gz XQOFWZPZNIVFMG-UHFFFAOYSA-N 1 2 332.335 2.785 10 5 EFBELO Cc1[nH]c(CNC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)[nH+]c1C ZINC001587805043 1092855345 /nfs/dbraw/zinc/85/53/45/1092855345.db2.gz HVPSFHCKSLZSKR-NSHDSACASA-N 1 2 334.401 2.732 10 5 EFBELO Cc1cccn2cc(CC(=O)NCc3ccc(C)c([N+](=O)[O-])c3)[nH+]c12 ZINC001595508750 1094473972 /nfs/dbraw/zinc/47/39/72/1094473972.db2.gz MKMZSNJUDNEAJV-UHFFFAOYSA-N 1 2 338.367 2.718 10 5 EFBELO CC1([NH+]2CCCC2)CCC(NC(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC001596428180 1094530569 /nfs/dbraw/zinc/53/05/69/1094530569.db2.gz GOCPYIAHYWLIFZ-UHFFFAOYSA-N 1 2 347.415 2.827 10 5 EFBELO CCc1ccc(C(=O)NCc2[nH]c3c([nH+]2)CCCC3)cc1[N+](=O)[O-] ZINC001597585621 1094602717 /nfs/dbraw/zinc/60/27/17/1094602717.db2.gz XFGMLMGNXUGMNT-UHFFFAOYSA-N 1 2 328.372 2.689 10 5 EFBELO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001611252195 1098994700 /nfs/dbraw/zinc/99/47/00/1098994700.db2.gz SIWHOIMUILMUDL-UHFFFAOYSA-N 1 2 338.327 2.523 10 5 EFBELO Cc1noc(C[NH2+][C@]2(CO)CC[C@H](C)c3ccccc32)c1[N+](=O)[O-] ZINC001620670470 1099369631 /nfs/dbraw/zinc/36/96/31/1099369631.db2.gz QETYLTIXELJDLY-GTNSWQLSSA-N 1 2 331.372 2.766 10 5 EFBELO CC(C)(C)[C@H]1CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC001620681669 1099369873 /nfs/dbraw/zinc/36/98/73/1099369873.db2.gz RKXJSTBYJPRWKD-OAHLLOKOSA-N 1 2 335.404 2.670 10 5 EFBELO CC(C)(C)[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC001620681669 1099369882 /nfs/dbraw/zinc/36/98/82/1099369882.db2.gz RKXJSTBYJPRWKD-OAHLLOKOSA-N 1 2 335.404 2.670 10 5 EFBELO O=C(NCc1ccn2cc[nH+]c2c1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001622735934 1099539206 /nfs/dbraw/zinc/53/92/06/1099539206.db2.gz XKIFMCLLYNTRCK-HZPDHXFCSA-N 1 2 336.351 2.662 10 5 EFBELO O=C(NCCCc1ccco1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001623313871 1099574787 /nfs/dbraw/zinc/57/47/87/1099574787.db2.gz PHSYGHSSNVZLJR-UHFFFAOYSA-N 1 2 340.339 2.736 10 5 EFBELO Nc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001630668840 1100328230 /nfs/dbraw/zinc/32/82/30/1100328230.db2.gz NXDIYNQZKIJOHS-UHFFFAOYSA-N 1 2 341.302 2.754 10 5 EFBELO Cc1cc([N+](=O)[O-])c(F)c(C(=O)Nc2cc(N(C)C)cc[nH+]2)c1F ZINC001632650860 1100490850 /nfs/dbraw/zinc/49/08/50/1100490850.db2.gz LGYCTHBKHAPBIO-UHFFFAOYSA-N 1 2 336.298 2.895 10 5 EFBELO O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC001632658784 1100491383 /nfs/dbraw/zinc/49/13/83/1100491383.db2.gz SGSZFEVMXOXFRI-LLVKDONJSA-N 1 2 334.763 2.922 10 5 EFBELO O=C(N[C@@H]1CCn2c[nH+]cc21)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001634084897 1100583907 /nfs/dbraw/zinc/58/39/07/1100583907.db2.gz KOGUPHHFZHWVRL-CQSZACIVSA-N 1 2 349.350 2.728 10 5 EFBELO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCc1[nH]c2c([nH+]1)CCCC2 ZINC001635854871 1100684816 /nfs/dbraw/zinc/68/48/16/1100684816.db2.gz UENFJODXAGKSOB-UHFFFAOYSA-N 1 2 348.790 2.709 10 5 EFBELO C[C@H](C(=O)NCc1[nH]c2c([nH+]1)CCCC2)c1cccc([N+](=O)[O-])c1 ZINC001639300638 1100936037 /nfs/dbraw/zinc/93/60/37/1100936037.db2.gz VXQYXVRAKUFMIQ-NSHDSACASA-N 1 2 328.372 2.617 10 5 EFBELO CC(C)c1[nH]cc(CNC(=O)CCc2cc(F)ccc2[N+](=O)[O-])[nH+]1 ZINC001639427841 1100948504 /nfs/dbraw/zinc/94/85/04/1100948504.db2.gz PQAYDZRDEWNUDQ-UHFFFAOYSA-N 1 2 334.351 2.829 10 5 EFBELO CC(C)c1[nH]c(CNC(=O)CCc2cc(F)ccc2[N+](=O)[O-])c[nH+]1 ZINC001639427841 1100948509 /nfs/dbraw/zinc/94/85/09/1100948509.db2.gz PQAYDZRDEWNUDQ-UHFFFAOYSA-N 1 2 334.351 2.829 10 5 EFBELO C[C@@H]1CN(c2c(Cl)c(Cl)ccc2[N+](=O)[O-])C[C@H](C)[N@H+]1CCO ZINC001639919985 1100995955 /nfs/dbraw/zinc/99/59/55/1100995955.db2.gz PBRXXGOWSPLDOY-AOOOYVTPSA-N 1 2 348.230 2.793 10 5 EFBELO C[C@@H]1CN(c2c(Cl)c(Cl)ccc2[N+](=O)[O-])C[C@H](C)[N@@H+]1CCO ZINC001639919985 1100995960 /nfs/dbraw/zinc/99/59/60/1100995960.db2.gz PBRXXGOWSPLDOY-AOOOYVTPSA-N 1 2 348.230 2.793 10 5 EFBELO CN(CCCNc1cc(F)c([N+](=O)[O-])cc1CO)c1cccc[nH+]1 ZINC001643105808 1101270847 /nfs/dbraw/zinc/27/08/47/1101270847.db2.gz PVQYRIYZPVIARJ-UHFFFAOYSA-N 1 2 334.351 2.560 10 5 EFBELO C[C@@H]1CC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C[C@H]1O ZINC001653119430 1101588485 /nfs/dbraw/zinc/58/84/85/1101588485.db2.gz NYFNASMPHIBFJS-NOZJJQNGSA-N 1 2 329.194 2.560 10 5 EFBELO C[C@@H]1CC[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])C[C@H]1O ZINC001653119430 1101588495 /nfs/dbraw/zinc/58/84/95/1101588495.db2.gz NYFNASMPHIBFJS-NOZJJQNGSA-N 1 2 329.194 2.560 10 5 EFBELO COC(=O)/C=C/c1ccc(NCc2[nH]c(C)c(C)[nH+]2)c([N+](=O)[O-])c1 ZINC001655876201 1101904317 /nfs/dbraw/zinc/90/43/17/1101904317.db2.gz OSUYQOXZSJSONJ-FNORWQNLSA-N 1 2 330.344 2.733 10 5 EFBELO O=C(C[N@@H+]1CCCC[C@@H]1[C@H]1CCCO1)Nc1ccccc1[N+](=O)[O-] ZINC001656506320 1102109175 /nfs/dbraw/zinc/10/91/75/1102109175.db2.gz MJONUYGBNVZFCT-HZPDHXFCSA-N 1 2 333.388 2.567 10 5 EFBELO O=C(C[N@H+]1CCCC[C@@H]1[C@H]1CCCO1)Nc1ccccc1[N+](=O)[O-] ZINC001656506320 1102109178 /nfs/dbraw/zinc/10/91/78/1102109178.db2.gz MJONUYGBNVZFCT-HZPDHXFCSA-N 1 2 333.388 2.567 10 5 EFBELO CC(C)(CCc1noc(Cc2ccc(-n3cc[nH+]c3)cc2)n1)[N+](=O)[O-] ZINC000906121028 1103934015 /nfs/dbraw/zinc/93/40/15/1103934015.db2.gz YGKDZLXJYRMSAU-UHFFFAOYSA-N 1 2 341.371 2.834 10 5 EFBELO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)NCCCn1cc[nH+]c1 ZINC000905045799 1108344236 /nfs/dbraw/zinc/34/42/36/1108344236.db2.gz FBJLDOAIGNMQEV-UHFFFAOYSA-N 1 2 336.779 2.584 10 5 EFBELO O=C(N[C@H]1CCC[N@H+](CCF)C1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000898502714 1108987494 /nfs/dbraw/zinc/98/74/94/1108987494.db2.gz CJWMWYIIFICWAD-AWEZNQCLSA-N 1 2 345.374 2.912 10 5 EFBELO O=C(N[C@H]1CCC[N@@H+](CCF)C1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000898502714 1108987500 /nfs/dbraw/zinc/98/75/00/1108987500.db2.gz CJWMWYIIFICWAD-AWEZNQCLSA-N 1 2 345.374 2.912 10 5 EFBELO Cc1cc(Cl)c(C(=O)NCC(C)(C)n2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000898908995 1109129979 /nfs/dbraw/zinc/12/99/79/1109129979.db2.gz FANLXXKKDAQEPN-UHFFFAOYSA-N 1 2 336.779 2.918 10 5 EFBELO CCOc1ccccc1Nc1ncnc(-n2cc[nH+]c2)c1[N+](=O)[O-] ZINC000040661487 213365290 /nfs/dbraw/zinc/36/52/90/213365290.db2.gz NUQBLXPIHKLDME-UHFFFAOYSA-N 1 2 326.316 2.713 10 5 EFBELO CCOc1ccc(C(=O)N[C@H](c2[nH+]ccn2C)C(C)C)cc1[N+](=O)[O-] ZINC000040114432 213267971 /nfs/dbraw/zinc/26/79/71/213267971.db2.gz NLKHPSXYWCNCKW-HNNXBMFYSA-N 1 2 346.387 2.854 10 5 EFBELO O=C(c1cc([N+](=O)[O-])ccc1C(F)(F)F)N1CC[NH+](C2CC2)CC1 ZINC000339329534 296186723 /nfs/dbraw/zinc/18/67/23/296186723.db2.gz DPKGPWCPHASFJL-UHFFFAOYSA-N 1 2 343.305 2.534 10 5 EFBELO Cc1cc(N2CCC([C@@H](C)O)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000264833182 246952358 /nfs/dbraw/zinc/95/23/58/246952358.db2.gz ZVTZKZYHMULXIN-CYBMUJFWSA-N 1 2 342.399 2.957 10 5 EFBELO C[C@@]([NH2+]Cc1csc([N+](=O)[O-])c1)(C(N)=O)c1cccc(Cl)c1 ZINC000426803752 247301517 /nfs/dbraw/zinc/30/15/17/247301517.db2.gz PAVGBIFHGDJIEH-AWEZNQCLSA-N 1 2 339.804 2.800 10 5 EFBELO Cc1nc([C@@](C)([NH2+]CCOc2ccc([N+](=O)[O-])cc2)C2CC2)no1 ZINC000433302024 248041579 /nfs/dbraw/zinc/04/15/79/248041579.db2.gz WWRNZHWMHXCBIN-INIZCTEOSA-N 1 2 332.360 2.580 10 5 EFBELO CC[C@H](NC(=O)N(C)CCCn1cc[nH+]c1)c1cccc([N+](=O)[O-])c1 ZINC000090684520 217949058 /nfs/dbraw/zinc/94/90/58/217949058.db2.gz KPABFKJJDVQGPD-INIZCTEOSA-N 1 2 345.403 2.974 10 5 EFBELO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000449426116 251021101 /nfs/dbraw/zinc/02/11/01/251021101.db2.gz QTSLVJCBDDUPNH-SJLPKXTDSA-N 1 2 346.358 2.600 10 5 EFBELO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000449426116 251021103 /nfs/dbraw/zinc/02/11/03/251021103.db2.gz QTSLVJCBDDUPNH-SJLPKXTDSA-N 1 2 346.358 2.600 10 5 EFBELO C[C@H]1CN(CC(F)(F)F)CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000449666810 251107374 /nfs/dbraw/zinc/10/73/74/251107374.db2.gz QCIYWCALBZRAIJ-SNVBAGLBSA-N 1 2 337.367 2.972 10 5 EFBELO C[C@H]1CN(CC(F)(F)F)CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000449666810 251107379 /nfs/dbraw/zinc/10/73/79/251107379.db2.gz QCIYWCALBZRAIJ-SNVBAGLBSA-N 1 2 337.367 2.972 10 5 EFBELO CO[C@@H](C)CN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(C)C ZINC000449981009 251219612 /nfs/dbraw/zinc/21/96/12/251219612.db2.gz WMIQPLNSTLVBTG-ZDUSSCGKSA-N 1 2 346.387 2.666 10 5 EFBELO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1C)[C@@H](C)CS(=O)(=O)CC ZINC000183348449 285103898 /nfs/dbraw/zinc/10/38/98/285103898.db2.gz CKOZYHHTKUKJLY-ZDUSSCGKSA-N 1 2 328.434 2.548 10 5 EFBELO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1C)[C@@H](C)CS(=O)(=O)CC ZINC000183348449 285103900 /nfs/dbraw/zinc/10/39/00/285103900.db2.gz CKOZYHHTKUKJLY-ZDUSSCGKSA-N 1 2 328.434 2.548 10 5 EFBELO O=C(OCc1cccc([N+](=O)[O-])c1)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000051912825 132182627 /nfs/dbraw/zinc/18/26/27/132182627.db2.gz FFNMIMFBCKSLHZ-OAHLLOKOSA-N 1 2 341.367 2.950 10 5 EFBELO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000346392684 142198434 /nfs/dbraw/zinc/19/84/34/142198434.db2.gz UJNMJKIXNCZWIU-UHFFFAOYSA-N 1 2 329.356 2.923 10 5 EFBELO CCOc1ccccc1OCC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000347778435 142270859 /nfs/dbraw/zinc/27/08/59/142270859.db2.gz DARXIUKGQKIBSK-UHFFFAOYSA-N 1 2 343.383 2.826 10 5 EFBELO CCOc1ccccc1OCC[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000347778435 142270861 /nfs/dbraw/zinc/27/08/61/142270861.db2.gz DARXIUKGQKIBSK-UHFFFAOYSA-N 1 2 343.383 2.826 10 5 EFBELO C[C@H]1CCC[N@H+](CCCCNC(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000349892685 142374887 /nfs/dbraw/zinc/37/48/87/142374887.db2.gz LVWCPOFZVXHFKW-ZDUSSCGKSA-N 1 2 335.404 2.542 10 5 EFBELO C[C@H]1CCC[N@@H+](CCCCNC(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000349892685 142374888 /nfs/dbraw/zinc/37/48/88/142374888.db2.gz LVWCPOFZVXHFKW-ZDUSSCGKSA-N 1 2 335.404 2.542 10 5 EFBELO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000349900078 142375711 /nfs/dbraw/zinc/37/57/11/142375711.db2.gz ZWEKEHUZLIBMCO-KBPBESRZSA-N 1 2 349.431 2.788 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(Cc2cscn2)CC1 ZINC000350012681 142390458 /nfs/dbraw/zinc/39/04/58/142390458.db2.gz ONHJKVIGWYLBQF-UHFFFAOYSA-N 1 2 332.429 2.678 10 5 EFBELO C[C@@H]([NH2+]Cc1cc(=O)n2ccsc2n1)c1ccccc1[N+](=O)[O-] ZINC000342289190 145094157 /nfs/dbraw/zinc/09/41/57/145094157.db2.gz BLNSBZMQASCLJH-SNVBAGLBSA-N 1 2 330.369 2.515 10 5 EFBELO O=C(c1c[nH]c2cccc([N+](=O)[O-])c21)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000342935298 145224007 /nfs/dbraw/zinc/22/40/07/145224007.db2.gz RAKBLUZZQOHYFR-UHFFFAOYSA-N 1 2 339.355 2.819 10 5 EFBELO O=C(c1c[nH]c2cccc([N+](=O)[O-])c21)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000342935298 145224008 /nfs/dbraw/zinc/22/40/08/145224008.db2.gz RAKBLUZZQOHYFR-UHFFFAOYSA-N 1 2 339.355 2.819 10 5 EFBELO Cc1cn2cc(NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)ccc2[nH+]1 ZINC000350742671 146086586 /nfs/dbraw/zinc/08/65/86/146086586.db2.gz YBPCGYJMRYZMJM-UHFFFAOYSA-N 1 2 346.368 2.660 10 5 EFBELO CCOCc1nc([C@H](C)[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])no1 ZINC000356293567 147203344 /nfs/dbraw/zinc/20/33/44/147203344.db2.gz LFJHMSNDEFHAJM-VFFGBVLKSA-N 1 2 332.360 2.878 10 5 EFBELO CC[C@H](C)[NH2+][C@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])c1ccco1 ZINC000359556264 148121131 /nfs/dbraw/zinc/12/11/31/148121131.db2.gz LVCNWRHBYMNWFZ-SMDDNHRTSA-N 1 2 347.371 2.753 10 5 EFBELO O=[N+]([O-])c1cc2ccccc2nc1NCc1cccnc1-n1cc[nH+]c1 ZINC000365027927 149301032 /nfs/dbraw/zinc/30/10/32/149301032.db2.gz JUQLBNFSIWJAKW-UHFFFAOYSA-N 1 2 346.350 2.758 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000368850329 150221958 /nfs/dbraw/zinc/22/19/58/150221958.db2.gz OYVRNDPSLYQALH-UHFFFAOYSA-N 1 2 340.383 2.697 10 5 EFBELO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000374072772 151279348 /nfs/dbraw/zinc/27/93/48/151279348.db2.gz SZQWIXGYLNANOV-UHFFFAOYSA-N 1 2 345.359 2.546 10 5 EFBELO COc1cccc(N2CCN(c3c[nH+]ccc3C)CC2)c1[N+](=O)[O-] ZINC000359951005 286457239 /nfs/dbraw/zinc/45/72/39/286457239.db2.gz WCEYSOXOCUQTLK-UHFFFAOYSA-N 1 2 328.372 2.633 10 5 EFBELO CCC1(CC)C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CC[S@@]1=O ZINC000185254219 265038863 /nfs/dbraw/zinc/03/88/63/265038863.db2.gz AVVXOQZJCPXICF-QHCPKHFHSA-N 1 2 340.445 2.597 10 5 EFBELO CCC1(CC)C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CC[S@@]1=O ZINC000185254219 265038865 /nfs/dbraw/zinc/03/88/65/265038865.db2.gz AVVXOQZJCPXICF-QHCPKHFHSA-N 1 2 340.445 2.597 10 5 EFBELO CCCn1cc[nH+]c1CCCN(C)C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000192247066 265288953 /nfs/dbraw/zinc/28/89/53/265288953.db2.gz QTKOWYVMGMHYIP-UHFFFAOYSA-N 1 2 345.403 2.610 10 5 EFBELO CCOc1ccc([C@H](C)[NH2+]Cc2nnc3ccccn32)cc1[N+](=O)[O-] ZINC000183798226 273048552 /nfs/dbraw/zinc/04/85/52/273048552.db2.gz XDSOVXTZGPNGNG-LBPRGKRZSA-N 1 2 341.371 2.887 10 5 EFBELO COC(=O)c1ccc([N+](=O)[O-])c(Nc2ccc(N3CCCC3)[nH+]c2)n1 ZINC000280821092 273370539 /nfs/dbraw/zinc/37/05/39/273370539.db2.gz DSGWUPBCEXQVOS-UHFFFAOYSA-N 1 2 343.343 2.515 10 5 EFBELO CC1CC[NH+](CCCCNC(=O)c2cccc(O)c2[N+](=O)[O-])CC1 ZINC000280843283 273372867 /nfs/dbraw/zinc/37/28/67/273372867.db2.gz VGGBYQVYVICJIM-UHFFFAOYSA-N 1 2 335.404 2.542 10 5 EFBELO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000280844698 273373002 /nfs/dbraw/zinc/37/30/02/273373002.db2.gz VILCBTLEVTVPOP-ZDUSSCGKSA-N 1 2 349.431 2.931 10 5 EFBELO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000280844698 273373003 /nfs/dbraw/zinc/37/30/03/273373003.db2.gz VILCBTLEVTVPOP-ZDUSSCGKSA-N 1 2 349.431 2.931 10 5 EFBELO COC(=O)[C@H]1CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000191808772 277395059 /nfs/dbraw/zinc/39/50/59/277395059.db2.gz HTQJZOSQJUKOIR-MFKMUULPSA-N 1 2 326.780 2.879 10 5 EFBELO COC(=O)[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000191808772 277395060 /nfs/dbraw/zinc/39/50/60/277395060.db2.gz HTQJZOSQJUKOIR-MFKMUULPSA-N 1 2 326.780 2.879 10 5 EFBELO Cc1c(CC(=O)NCc2[nH+]ccn2CC(C)C)cccc1[N+](=O)[O-] ZINC000125245329 293007666 /nfs/dbraw/zinc/00/76/66/293007666.db2.gz TWUXYILJIYZTLS-UHFFFAOYSA-N 1 2 330.388 2.615 10 5 EFBELO C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153040703 293358054 /nfs/dbraw/zinc/35/80/54/293358054.db2.gz OYCOUAFSPHZNFI-QLFBSQMISA-N 1 2 345.443 2.846 10 5 EFBELO C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153040703 293358055 /nfs/dbraw/zinc/35/80/55/293358055.db2.gz OYCOUAFSPHZNFI-QLFBSQMISA-N 1 2 345.443 2.846 10 5 EFBELO O=C(C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)NCCC1=CCCCC1 ZINC000153096808 293360934 /nfs/dbraw/zinc/36/09/34/293360934.db2.gz BKYABZJSDOWFIU-UHFFFAOYSA-N 1 2 343.427 2.960 10 5 EFBELO O=C(C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)NCCC1=CCCCC1 ZINC000153096808 293360936 /nfs/dbraw/zinc/36/09/36/293360936.db2.gz BKYABZJSDOWFIU-UHFFFAOYSA-N 1 2 343.427 2.960 10 5 EFBELO Cc1ccccc1CNC(=O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153362859 293371924 /nfs/dbraw/zinc/37/19/24/293371924.db2.gz XXOBTIXDBDIJNJ-UHFFFAOYSA-N 1 2 339.395 2.578 10 5 EFBELO Cc1ccccc1CNC(=O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153362859 293371929 /nfs/dbraw/zinc/37/19/29/293371929.db2.gz XXOBTIXDBDIJNJ-UHFFFAOYSA-N 1 2 339.395 2.578 10 5 EFBELO CCn1cc[nH+]c1CNc1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] ZINC000294869943 295239124 /nfs/dbraw/zinc/23/91/24/295239124.db2.gz BBHWSFKLMROJOS-FNORWQNLSA-N 1 2 330.344 2.610 10 5 EFBELO C[C@H]1[C@@H](O)CCC[N@@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000295003911 295256560 /nfs/dbraw/zinc/25/65/60/295256560.db2.gz LPIKVZGCOZOIDD-ZANVPECISA-N 1 2 329.194 2.703 10 5 EFBELO C[C@H]1[C@@H](O)CCC[N@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000295003911 295256561 /nfs/dbraw/zinc/25/65/61/295256561.db2.gz LPIKVZGCOZOIDD-ZANVPECISA-N 1 2 329.194 2.703 10 5 EFBELO CCc1nnc(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[nH]1 ZINC000295576007 295343667 /nfs/dbraw/zinc/34/36/67/295343667.db2.gz AZZFFGILBNADFQ-UHFFFAOYSA-N 1 2 327.344 2.825 10 5 EFBELO Cc1cc(N(C)C[C@@H]2CCCO2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000301266174 311128224 /nfs/dbraw/zinc/12/82/24/311128224.db2.gz WFTHNFCFAFCDRY-HNNXBMFYSA-N 1 2 328.372 2.975 10 5 EFBELO CS[C@H](CO)[C@@H](C)Nc1cc(C)[nH+]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301359028 311133336 /nfs/dbraw/zinc/13/33/36/311133336.db2.gz LMPBAWRYFQIEAR-BXUZGUMPSA-N 1 2 348.428 2.885 10 5 EFBELO O=[N+]([O-])c1ccc(N2CC[C@@H]([NH+]3CCOCC3)C2)cc1C(F)(F)F ZINC000301461327 311138612 /nfs/dbraw/zinc/13/86/12/311138612.db2.gz DSSHVTZLCBJGTQ-GFCCVEGCSA-N 1 2 345.321 2.525 10 5 EFBELO Cc1cc(N2CCC[C@@H]([C@H](C)O)C2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000301753871 311156748 /nfs/dbraw/zinc/15/67/48/311156748.db2.gz CCOGPUFCLYUQOC-DZGCQCFKSA-N 1 2 342.399 2.957 10 5 EFBELO CC1=CC[N@H+](CCNc2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000302134683 311179384 /nfs/dbraw/zinc/17/93/84/311179384.db2.gz DCRCITFHXZZUTR-UHFFFAOYSA-N 1 2 341.209 2.816 10 5 EFBELO CC1=CC[N@@H+](CCNc2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000302134683 311179385 /nfs/dbraw/zinc/17/93/85/311179385.db2.gz DCRCITFHXZZUTR-UHFFFAOYSA-N 1 2 341.209 2.816 10 5 EFBELO Cc1cc([N+](=O)[O-])cnc1N1CC[NH+](Cc2ccc(Cl)cn2)CC1 ZINC000302183357 311183122 /nfs/dbraw/zinc/18/31/22/311183122.db2.gz SNYFMBZEAZOYCO-UHFFFAOYSA-N 1 2 347.806 2.669 10 5 EFBELO Cc1cc([N+](=O)[O-])cc(Cl)c1N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000302816812 311202679 /nfs/dbraw/zinc/20/26/79/311202679.db2.gz INRNBMWDYMSTAV-DOMZBBRYSA-N 1 2 339.823 2.714 10 5 EFBELO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000330854098 311338673 /nfs/dbraw/zinc/33/86/73/311338673.db2.gz MQIJRBIMQZCHHE-DZGCQCFKSA-N 1 2 349.431 2.571 10 5 EFBELO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000330854098 311338675 /nfs/dbraw/zinc/33/86/75/311338675.db2.gz MQIJRBIMQZCHHE-DZGCQCFKSA-N 1 2 349.431 2.571 10 5 EFBELO Cc1cc(N2CC[C@]23CCOC3)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000420638146 312377739 /nfs/dbraw/zinc/37/77/39/312377739.db2.gz JEKSFNFNQJASED-QGZVFWFLSA-N 1 2 326.356 2.729 10 5 EFBELO Cc1cc(N2C[C@@H](O)CC[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000420647466 312378779 /nfs/dbraw/zinc/37/87/79/312378779.db2.gz YZHYJNHMHSQRHU-DOMZBBRYSA-N 1 2 328.372 2.710 10 5 EFBELO CCS(=O)(=O)CCCCC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000530389409 317118382 /nfs/dbraw/zinc/11/83/82/317118382.db2.gz WHCCEQMQZWAWMK-UHFFFAOYSA-N 1 2 340.445 2.558 10 5 EFBELO CCS(=O)(=O)CCCCC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000530389409 317118385 /nfs/dbraw/zinc/11/83/85/317118385.db2.gz WHCCEQMQZWAWMK-UHFFFAOYSA-N 1 2 340.445 2.558 10 5 EFBELO C[C@](O)(C1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1)C(F)(F)F ZINC000555427732 318356425 /nfs/dbraw/zinc/35/64/25/318356425.db2.gz KCDBVQZSRKJBIP-AWEZNQCLSA-N 1 2 348.321 2.826 10 5 EFBELO Cc1cccc(CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])n1 ZINC000556091262 318378436 /nfs/dbraw/zinc/37/84/36/318378436.db2.gz RRVSAVKSDKPIGA-UHFFFAOYSA-N 1 2 342.399 2.743 10 5 EFBELO Cn1ccnc1[C@H]([NH2+]CCOCC1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000567298692 319158176 /nfs/dbraw/zinc/15/81/76/319158176.db2.gz MIHJXQRREVXRDX-QGZVFWFLSA-N 1 2 344.415 2.824 10 5 EFBELO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCO[C@]4(CCSC4)C3)c2c1 ZINC000573241504 319747507 /nfs/dbraw/zinc/74/75/07/319747507.db2.gz GYUHRKCACYLAIV-MRXNPFEDSA-N 1 2 331.397 2.855 10 5 EFBELO C[C@@H](C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)[N@@H+]1CCc2ccccc2C1 ZINC000183912712 323350499 /nfs/dbraw/zinc/35/04/99/323350499.db2.gz VAEZVRAYDHSUKX-LBPRGKRZSA-N 1 2 341.367 2.686 10 5 EFBELO C[C@@H](C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)[N@H+]1CCc2ccccc2C1 ZINC000183912712 323350503 /nfs/dbraw/zinc/35/05/03/323350503.db2.gz VAEZVRAYDHSUKX-LBPRGKRZSA-N 1 2 341.367 2.686 10 5 EFBELO Cn1cc[nH+]c1[C@H](Nc1ccc2ncc([N+](=O)[O-])n2n1)c1ccccc1 ZINC000535759556 448503529 /nfs/dbraw/zinc/50/35/29/448503529.db2.gz GNMZCMQUASLFCU-MRXNPFEDSA-N 1 2 349.354 2.573 10 5 EFBELO NC(=O)c1ccc(C[N@@H+]2CC[C@H]2c2ccccc2F)c([N+](=O)[O-])c1 ZINC000081626752 473233952 /nfs/dbraw/zinc/23/39/52/473233952.db2.gz TXHSHCIBYRCRCG-HNNXBMFYSA-N 1 2 329.331 2.780 10 5 EFBELO NC(=O)c1ccc(C[N@H+]2CC[C@H]2c2ccccc2F)c([N+](=O)[O-])c1 ZINC000081626752 473233956 /nfs/dbraw/zinc/23/39/56/473233956.db2.gz TXHSHCIBYRCRCG-HNNXBMFYSA-N 1 2 329.331 2.780 10 5 EFBELO Cc1ccncc1C[N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000361413501 475429041 /nfs/dbraw/zinc/42/90/41/475429041.db2.gz QPLIUVQEEMRSBG-UHFFFAOYSA-N 1 2 339.355 2.980 10 5 EFBELO Cc1ccncc1C[N@@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000361413501 475429049 /nfs/dbraw/zinc/42/90/49/475429049.db2.gz QPLIUVQEEMRSBG-UHFFFAOYSA-N 1 2 339.355 2.980 10 5 EFBELO Cc1ccncc1C[N@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000361413728 475430171 /nfs/dbraw/zinc/43/01/71/475430171.db2.gz RXSGORMOEHGCKM-UHFFFAOYSA-N 1 2 328.372 2.677 10 5 EFBELO Cc1ccncc1C[N@@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000361413728 475430181 /nfs/dbraw/zinc/43/01/81/475430181.db2.gz RXSGORMOEHGCKM-UHFFFAOYSA-N 1 2 328.372 2.677 10 5 EFBELO CCOC1(C)C[NH+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000459622978 478014679 /nfs/dbraw/zinc/01/46/79/478014679.db2.gz PMZAYLUPNNXONF-UHFFFAOYSA-N 1 2 330.388 2.606 10 5 EFBELO COc1ccc(NC(=O)C[N@H+](C)Cc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000008120497 471664675 /nfs/dbraw/zinc/66/46/75/471664675.db2.gz VYUOQNZPCWTQBV-UHFFFAOYSA-N 1 2 347.346 2.813 10 5 EFBELO COc1ccc(NC(=O)C[N@@H+](C)Cc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000008120497 471664677 /nfs/dbraw/zinc/66/46/77/471664677.db2.gz VYUOQNZPCWTQBV-UHFFFAOYSA-N 1 2 347.346 2.813 10 5 EFBELO O=C(NCc1cn2cc(Cl)ccc2[nH+]1)c1ccccc1[N+](=O)[O-] ZINC000041789476 472083871 /nfs/dbraw/zinc/08/38/71/472083871.db2.gz AJEQHXIKNIEXJK-UHFFFAOYSA-N 1 2 330.731 2.826 10 5 EFBELO O=C(NCc1cn2cc(Cl)ccc2[nH+]1)c1ccc([N+](=O)[O-])cc1 ZINC000041789501 472084457 /nfs/dbraw/zinc/08/44/57/472084457.db2.gz AMXBROZMHCMNEO-UHFFFAOYSA-N 1 2 330.731 2.826 10 5 EFBELO CCOc1ccc(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000075556781 472156955 /nfs/dbraw/zinc/15/69/55/472156955.db2.gz VJWHYYLYCFEIIX-CYBMUJFWSA-N 1 2 344.371 2.736 10 5 EFBELO O=C(Cc1ccc([N+](=O)[O-])cc1)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000043802954 472264577 /nfs/dbraw/zinc/26/45/77/472264577.db2.gz PLAGMHRFIZBQDV-UHFFFAOYSA-N 1 2 344.758 2.755 10 5 EFBELO C[C@@H](NC(=O)NCc1ccc[nH+]c1N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000056399559 472317148 /nfs/dbraw/zinc/31/71/48/472317148.db2.gz CCDQNBLKLXKWAC-GFCCVEGCSA-N 1 2 343.387 2.616 10 5 EFBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(C(=O)c2ccccn2)CC1 ZINC000031558720 472383059 /nfs/dbraw/zinc/38/30/59/472383059.db2.gz PLDOFZMYHIUOJZ-AWEZNQCLSA-N 1 2 340.383 2.509 10 5 EFBELO C[C@@H]1CN(c2ccc(CNc3ccc([N+](=O)[O-])nc3)c[nH+]2)C[C@H](C)O1 ZINC000076777197 472401117 /nfs/dbraw/zinc/40/11/17/472401117.db2.gz RRVZFMCVBCKHCO-BETUJISGSA-N 1 2 343.387 2.611 10 5 EFBELO CCOc1ccc([C@@H](C)[NH2+][C@H]2CCCn3ncnc32)cc1[N+](=O)[O-] ZINC000097032494 472414033 /nfs/dbraw/zinc/41/40/33/472414033.db2.gz KSHXQMHAOXFCEO-YPMHNXCESA-N 1 2 331.376 2.771 10 5 EFBELO Cc1sc(C(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000046620002 472578235 /nfs/dbraw/zinc/57/82/35/472578235.db2.gz KUCLGUJAUGTPBU-UHFFFAOYSA-N 1 2 346.412 2.759 10 5 EFBELO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccc(F)cc1Cl ZINC000090529868 472630440 /nfs/dbraw/zinc/63/04/40/472630440.db2.gz GDZTUERJALXKCI-UHFFFAOYSA-N 1 2 339.754 2.681 10 5 EFBELO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccc(F)cc1Cl ZINC000090529868 472630443 /nfs/dbraw/zinc/63/04/43/472630443.db2.gz GDZTUERJALXKCI-UHFFFAOYSA-N 1 2 339.754 2.681 10 5 EFBELO Cc1nn(C)c(N2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)c1[N+](=O)[O-] ZINC000091629097 472785763 /nfs/dbraw/zinc/78/57/63/472785763.db2.gz CEWDRRKSDWTHBT-CYBMUJFWSA-N 1 2 347.394 2.659 10 5 EFBELO CC(C)COC1CC[NH+](Cn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000048288004 472850676 /nfs/dbraw/zinc/85/06/76/472850676.db2.gz OWUXESFHPXRDKM-UHFFFAOYSA-N 1 2 349.387 2.597 10 5 EFBELO CN(C)c1[nH+]cccc1CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134600982 472935746 /nfs/dbraw/zinc/93/57/46/472935746.db2.gz ALLRAJHZRYOMJX-UHFFFAOYSA-N 1 2 334.763 2.639 10 5 EFBELO Cc1ccc([C@H]2C[N@H+](CCOc3cccc([N+](=O)[O-])c3)CCO2)o1 ZINC000158758207 472965628 /nfs/dbraw/zinc/96/56/28/472965628.db2.gz SVLRUDFWYSBFRB-QGZVFWFLSA-N 1 2 332.356 2.949 10 5 EFBELO Cc1ccc([C@H]2C[N@@H+](CCOc3cccc([N+](=O)[O-])c3)CCO2)o1 ZINC000158758207 472965634 /nfs/dbraw/zinc/96/56/34/472965634.db2.gz SVLRUDFWYSBFRB-QGZVFWFLSA-N 1 2 332.356 2.949 10 5 EFBELO O=[N+]([O-])c1ccccc1/C=C/CN1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000093011117 473026160 /nfs/dbraw/zinc/02/61/60/473026160.db2.gz MUGATZJQVJDWPK-FZMUQLTDSA-N 1 2 345.443 2.795 10 5 EFBELO Cc1ccc(C[N@H+](C)Cc2nc(-c3cccnc3)no2)cc1[N+](=O)[O-] ZINC000093365384 473096884 /nfs/dbraw/zinc/09/68/84/473096884.db2.gz BZXWDSDKJQBWIO-UHFFFAOYSA-N 1 2 339.355 2.980 10 5 EFBELO Cc1ccc(C[N@@H+](C)Cc2nc(-c3cccnc3)no2)cc1[N+](=O)[O-] ZINC000093365384 473096891 /nfs/dbraw/zinc/09/68/91/473096891.db2.gz BZXWDSDKJQBWIO-UHFFFAOYSA-N 1 2 339.355 2.980 10 5 EFBELO O=C1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCN1C1CC1 ZINC000093444642 473107393 /nfs/dbraw/zinc/10/73/93/473107393.db2.gz ZBBAQCDCTFGBML-UHFFFAOYSA-N 1 2 341.367 2.661 10 5 EFBELO O=C1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCN1C1CC1 ZINC000093444642 473107399 /nfs/dbraw/zinc/10/73/99/473107399.db2.gz ZBBAQCDCTFGBML-UHFFFAOYSA-N 1 2 341.367 2.661 10 5 EFBELO C[C@@H]1CN(c2ccc(CNc3ccncc3[N+](=O)[O-])c[nH+]2)C[C@H](C)O1 ZINC000066809003 473156655 /nfs/dbraw/zinc/15/66/55/473156655.db2.gz XSYAEQVJKLAAAO-BETUJISGSA-N 1 2 343.387 2.611 10 5 EFBELO COCc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000151196736 473423921 /nfs/dbraw/zinc/42/39/21/473423921.db2.gz BXIBUAQFRFETCX-SMDDNHRTSA-N 1 2 331.376 2.518 10 5 EFBELO CCc1ccc(C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000177742264 473426625 /nfs/dbraw/zinc/42/66/25/473426625.db2.gz AZUUZPOXEXHDOQ-OAHLLOKOSA-N 1 2 328.372 2.659 10 5 EFBELO COc1cccc(N2CCCN(c3cccc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000185727443 473498707 /nfs/dbraw/zinc/49/87/07/473498707.db2.gz ZOCIEUGSZIUTQZ-UHFFFAOYSA-N 1 2 328.372 2.715 10 5 EFBELO O=C(Nc1cc[nH+]cc1O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000170593641 473558178 /nfs/dbraw/zinc/55/81/78/473558178.db2.gz HFSTVRQAVHNTRT-UHFFFAOYSA-N 1 2 338.117 2.710 10 5 EFBELO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCO[C@H](c3cccc(O)c3)C2)cc1 ZINC000127054715 473572151 /nfs/dbraw/zinc/57/21/51/473572151.db2.gz WMXKQSQUOICKFF-SFHVURJKSA-N 1 2 344.367 2.753 10 5 EFBELO O=[N+]([O-])c1ccc(OCC[N@H+]2CCO[C@H](c3cccc(O)c3)C2)cc1 ZINC000127054715 473572158 /nfs/dbraw/zinc/57/21/58/473572158.db2.gz WMXKQSQUOICKFF-SFHVURJKSA-N 1 2 344.367 2.753 10 5 EFBELO CSCCCCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000172448088 473612729 /nfs/dbraw/zinc/61/27/29/473612729.db2.gz JRUOGMTYUJGNCY-UHFFFAOYSA-N 1 2 334.401 2.654 10 5 EFBELO C[C@@H]([NH2+][C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cn[nH]c1 ZINC000274012153 473702805 /nfs/dbraw/zinc/70/28/05/473702805.db2.gz KYKSBXXGPBJOCQ-ZJUUUORDSA-N 1 2 328.332 2.780 10 5 EFBELO C[C@H]([NH2+][C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cn[nH]c1 ZINC000274012146 473703579 /nfs/dbraw/zinc/70/35/79/473703579.db2.gz KYKSBXXGPBJOCQ-UWVGGRQHSA-N 1 2 328.332 2.780 10 5 EFBELO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC=C(Br)C2)c1 ZINC000281538834 473756568 /nfs/dbraw/zinc/75/65/68/473756568.db2.gz AYCJIKWPLBMFGT-CYBMUJFWSA-N 1 2 327.178 2.613 10 5 EFBELO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC=C(Br)C2)c1 ZINC000281538834 473756573 /nfs/dbraw/zinc/75/65/73/473756573.db2.gz AYCJIKWPLBMFGT-CYBMUJFWSA-N 1 2 327.178 2.613 10 5 EFBELO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCO[C@@H](c3cccs3)C2)c1 ZINC000269654226 473854162 /nfs/dbraw/zinc/85/41/62/473854162.db2.gz NXVUHTONBUVCAV-LSDHHAIUSA-N 1 2 334.397 2.763 10 5 EFBELO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCO[C@@H](c3cccs3)C2)c1 ZINC000269654226 473854172 /nfs/dbraw/zinc/85/41/72/473854172.db2.gz NXVUHTONBUVCAV-LSDHHAIUSA-N 1 2 334.397 2.763 10 5 EFBELO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCO[C@H](c3ccsc3)C2)c1 ZINC000269676401 473856855 /nfs/dbraw/zinc/85/68/55/473856855.db2.gz 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CO[C@H]1C[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[C@H]1C ZINC000189274033 474344109 /nfs/dbraw/zinc/34/41/09/474344109.db2.gz APMACTWLZBKSFL-YGRLFVJLSA-N 1 2 341.795 2.544 10 5 EFBELO CO[C@H]1C[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[C@H]1C ZINC000189274033 474344112 /nfs/dbraw/zinc/34/41/12/474344112.db2.gz APMACTWLZBKSFL-YGRLFVJLSA-N 1 2 341.795 2.544 10 5 EFBELO CO[C@H]1C[C@H](c2nc(C)no2)[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000189318936 474358299 /nfs/dbraw/zinc/35/82/99/474358299.db2.gz SRTMRGYBYWDEPW-DZGCQCFKSA-N 1 2 332.360 2.557 10 5 EFBELO CO[C@H]1C[C@H](c2nc(C)no2)[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000189318936 474358306 /nfs/dbraw/zinc/35/83/06/474358306.db2.gz SRTMRGYBYWDEPW-DZGCQCFKSA-N 1 2 332.360 2.557 10 5 EFBELO CO[C@H]1C[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC[C@@H]1C ZINC000189344038 474366293 /nfs/dbraw/zinc/36/62/93/474366293.db2.gz YQWBTCWSEDSDFP-HZMBPMFUSA-N 1 2 341.795 2.544 10 5 EFBELO CO[C@H]1C[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC[C@@H]1C ZINC000189344038 474366301 /nfs/dbraw/zinc/36/63/01/474366301.db2.gz YQWBTCWSEDSDFP-HZMBPMFUSA-N 1 2 341.795 2.544 10 5 EFBELO Cc1cc(N(C)CC2CC(O)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000276018583 474389575 /nfs/dbraw/zinc/38/95/75/474389575.db2.gz JYHSNAGXWLHNDU-UHFFFAOYSA-N 1 2 328.372 2.567 10 5 EFBELO Cc1cn2cc(NC(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)ccc2[nH+]1 ZINC000608879644 480101815 /nfs/dbraw/zinc/10/18/15/480101815.db2.gz ZETGMGZDZUNFGN-UHFFFAOYSA-N 1 2 340.295 2.532 10 5 EFBELO CO[C@@H]1C[C@@H](c2nc(C)no2)[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000248987923 474499732 /nfs/dbraw/zinc/49/97/32/474499732.db2.gz VWKJKYKHCHWZMM-CABCVRRESA-N 1 2 332.360 2.557 10 5 EFBELO CO[C@@H]1C[C@@H](c2nc(C)no2)[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000248987923 474499741 /nfs/dbraw/zinc/49/97/41/474499741.db2.gz VWKJKYKHCHWZMM-CABCVRRESA-N 1 2 332.360 2.557 10 5 EFBELO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCO[C@H]4CCCC[C@H]43)o2)cc1 ZINC000249711909 474605823 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2.866 10 5 EFBELO COc1ncc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c(C)n1 ZINC000337131275 474724091 /nfs/dbraw/zinc/72/40/91/474724091.db2.gz CJDSZWFUUIGIFM-UHFFFAOYSA-N 1 2 328.372 2.866 10 5 EFBELO C[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccc(-n2ccnn2)cc1 ZINC000339073963 474901325 /nfs/dbraw/zinc/90/13/25/474901325.db2.gz CTWVBRZCPROWOW-LBPRGKRZSA-N 1 2 339.355 2.732 10 5 EFBELO C[S@](=O)C[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccccc1 ZINC000339073464 474901409 /nfs/dbraw/zinc/90/14/09/474901409.db2.gz YZHLZIZPTGMYCY-WNSKOXEYSA-N 1 2 334.397 2.510 10 5 EFBELO CC(C)[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1nnc2ccccn21 ZINC000339075354 474903794 /nfs/dbraw/zinc/90/37/94/474903794.db2.gz MJXNBWSKERSWND-MRXNPFEDSA-N 1 2 341.371 2.830 10 5 EFBELO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000339193212 475025059 /nfs/dbraw/zinc/02/50/59/475025059.db2.gz BMUPZCDRWKIATJ-ZDUSSCGKSA-N 1 2 334.294 2.580 10 5 EFBELO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000339193212 475025067 /nfs/dbraw/zinc/02/50/67/475025067.db2.gz BMUPZCDRWKIATJ-ZDUSSCGKSA-N 1 2 334.294 2.580 10 5 EFBELO CN(C)c1[nH+]cccc1CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000339198795 475030546 /nfs/dbraw/zinc/03/05/46/475030546.db2.gz WZYITUQYCXWNSR-UHFFFAOYSA-N 1 2 340.339 2.732 10 5 EFBELO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](S(C)(=O)=O)CC1 ZINC000337534947 475104324 /nfs/dbraw/zinc/10/43/24/475104324.db2.gz XGJHZLLFNXWGQM-IUODEOHRSA-N 1 2 326.418 2.555 10 5 EFBELO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](S(C)(=O)=O)CC1 ZINC000337534947 475104334 /nfs/dbraw/zinc/10/43/34/475104334.db2.gz XGJHZLLFNXWGQM-IUODEOHRSA-N 1 2 326.418 2.555 10 5 EFBELO O=[N+]([O-])c1ccn(CC[N@@H+]2CCCC[C@@H]2c2nnc(C3CCC3)o2)n1 ZINC000287412500 475135416 /nfs/dbraw/zinc/13/54/16/475135416.db2.gz OOGJTCFCPMSANE-CYBMUJFWSA-N 1 2 346.391 2.669 10 5 EFBELO O=[N+]([O-])c1ccn(CC[N@H+]2CCCC[C@@H]2c2nnc(C3CCC3)o2)n1 ZINC000287412500 475135423 /nfs/dbraw/zinc/13/54/23/475135423.db2.gz OOGJTCFCPMSANE-CYBMUJFWSA-N 1 2 346.391 2.669 10 5 EFBELO Cc1ccc([C@@H](C)NC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)cc1[N+](=O)[O-] ZINC000357954878 475289610 /nfs/dbraw/zinc/28/96/10/475289610.db2.gz HYBUPJGHCLQDRA-DGCLKSJQSA-N 1 2 343.387 2.544 10 5 EFBELO Cc1ccc([C@@H](C)NC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)cc1[N+](=O)[O-] ZINC000357954878 475289617 /nfs/dbraw/zinc/28/96/17/475289617.db2.gz HYBUPJGHCLQDRA-DGCLKSJQSA-N 1 2 343.387 2.544 10 5 EFBELO CC[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(F)(F)F ZINC000348095884 475383834 /nfs/dbraw/zinc/38/38/34/475383834.db2.gz QVJHDWBKJSNLJS-GFCCVEGCSA-N 1 2 342.277 2.851 10 5 EFBELO COc1cc(C[N@H+](C)Cc2ccc([S@@](C)=O)cc2)ccc1[N+](=O)[O-] ZINC000352539940 475393472 /nfs/dbraw/zinc/39/34/72/475393472.db2.gz FHIHZWZHQLAEDY-XMMPIXPASA-N 1 2 348.424 2.973 10 5 EFBELO COc1cc(C[N@@H+](C)Cc2ccc([S@@](C)=O)cc2)ccc1[N+](=O)[O-] ZINC000352539940 475393479 /nfs/dbraw/zinc/39/34/79/475393479.db2.gz FHIHZWZHQLAEDY-XMMPIXPASA-N 1 2 348.424 2.973 10 5 EFBELO Cn1c(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)nnc1C1CCC1 ZINC000338349868 475812219 /nfs/dbraw/zinc/81/22/19/475812219.db2.gz OEFHPTHPWQUVKJ-UHFFFAOYSA-N 1 2 329.404 2.665 10 5 EFBELO Cn1c(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)nnc1C1CCC1 ZINC000338349868 475812229 /nfs/dbraw/zinc/81/22/29/475812229.db2.gz OEFHPTHPWQUVKJ-UHFFFAOYSA-N 1 2 329.404 2.665 10 5 EFBELO COc1cc(C[N@@H+]2CCSC[C@H]2c2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000362026883 475947994 /nfs/dbraw/zinc/94/79/94/475947994.db2.gz NEMXAHWCXBYAMH-HNNXBMFYSA-N 1 2 348.428 2.627 10 5 EFBELO COc1cc(C[N@H+]2CCSC[C@H]2c2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000362026883 475947998 /nfs/dbraw/zinc/94/79/98/475947998.db2.gz NEMXAHWCXBYAMH-HNNXBMFYSA-N 1 2 348.428 2.627 10 5 EFBELO CCn1cc[nH+]c1CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000298039102 475961946 /nfs/dbraw/zinc/96/19/46/475961946.db2.gz HPUVYIIUOZKLPX-UHFFFAOYSA-N 1 2 343.387 2.685 10 5 EFBELO CCn1nccc1C[N@H+](CCO)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000355553507 476028022 /nfs/dbraw/zinc/02/80/22/476028022.db2.gz VOXXFRDDBDEXBF-UHFFFAOYSA-N 1 2 346.431 2.929 10 5 EFBELO CCn1nccc1C[N@@H+](CCO)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000355553507 476028027 /nfs/dbraw/zinc/02/80/27/476028027.db2.gz VOXXFRDDBDEXBF-UHFFFAOYSA-N 1 2 346.431 2.929 10 5 EFBELO C[N@H+](Cc1nc(-c2cccnc2)no1)Cc1ccc([N+](=O)[O-])cc1 ZINC000353564869 476083538 /nfs/dbraw/zinc/08/35/38/476083538.db2.gz PHACAUYLTJYVNG-UHFFFAOYSA-N 1 2 325.328 2.672 10 5 EFBELO C[N@@H+](Cc1nc(-c2cccnc2)no1)Cc1ccc([N+](=O)[O-])cc1 ZINC000353564869 476083547 /nfs/dbraw/zinc/08/35/47/476083547.db2.gz PHACAUYLTJYVNG-UHFFFAOYSA-N 1 2 325.328 2.672 10 5 EFBELO CCc1cnc(N2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)s1 ZINC000353563512 476083760 /nfs/dbraw/zinc/08/37/60/476083760.db2.gz BBRUWNUFZOUZMU-UHFFFAOYSA-N 1 2 332.429 2.936 10 5 EFBELO COc1cc(N2CC[NH+](Cc3ccco3)CC2)c([N+](=O)[O-])cc1F ZINC000343862715 476123915 /nfs/dbraw/zinc/12/39/15/476123915.db2.gz NMIDTQASLAZVSI-UHFFFAOYSA-N 1 2 335.335 2.658 10 5 EFBELO O=C(Cc1cccc([N+](=O)[O-])c1)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000359043139 476139357 /nfs/dbraw/zinc/13/93/57/476139357.db2.gz NHZAGAJRDHKPAA-UHFFFAOYSA-N 1 2 344.758 2.755 10 5 EFBELO O=[N+]([O-])c1ccccc1-c1nc([C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000350404419 476169785 /nfs/dbraw/zinc/16/97/85/476169785.db2.gz TWIXMYAVMKTIEP-RISCZKNCSA-N 1 2 330.344 2.571 10 5 EFBELO O=[N+]([O-])c1ccccc1-c1nc([C@@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000350404419 476169790 /nfs/dbraw/zinc/16/97/90/476169790.db2.gz TWIXMYAVMKTIEP-RISCZKNCSA-N 1 2 330.344 2.571 10 5 EFBELO Cn1ccnc1[C@H]([NH2+]C[C@H]1CCC(C)(C)O1)c1cccc([N+](=O)[O-])c1 ZINC000353678940 476181835 /nfs/dbraw/zinc/18/18/35/476181835.db2.gz FDBJJXZZQMWPRT-HZPDHXFCSA-N 1 2 344.415 2.965 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000340657008 476184761 /nfs/dbraw/zinc/18/47/61/476184761.db2.gz FLLZKUJKVKVUMF-UHFFFAOYSA-N 1 2 342.277 2.592 10 5 EFBELO CC(C)c1ccc(C[N@H+](C)C[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000353782547 476268542 /nfs/dbraw/zinc/26/85/42/476268542.db2.gz UASYFKDQOVNKCO-CQSZACIVSA-N 1 2 340.445 2.585 10 5 EFBELO CC(C)c1ccc(C[N@@H+](C)C[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000353782547 476268544 /nfs/dbraw/zinc/26/85/44/476268544.db2.gz UASYFKDQOVNKCO-CQSZACIVSA-N 1 2 340.445 2.585 10 5 EFBELO CO[C@@H](C)CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(C)C ZINC000353890172 476314074 /nfs/dbraw/zinc/31/40/74/476314074.db2.gz CFBLZQPYNYXBRC-ZDUSSCGKSA-N 1 2 346.387 2.666 10 5 EFBELO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000354117921 476438783 /nfs/dbraw/zinc/43/87/83/476438783.db2.gz UECYFISGCVVJPE-KGLIPLIRSA-N 1 2 325.434 2.878 10 5 EFBELO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000354117921 476438787 /nfs/dbraw/zinc/43/87/87/476438787.db2.gz UECYFISGCVVJPE-KGLIPLIRSA-N 1 2 325.434 2.878 10 5 EFBELO CCn1c(C)nc([N+](=O)[O-])c1NC1CCN(c2cccc[nH+]2)CC1 ZINC000360949515 476495932 /nfs/dbraw/zinc/49/59/32/476495932.db2.gz MOFXNOSOQJKGPK-UHFFFAOYSA-N 1 2 330.392 2.596 10 5 EFBELO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000377745889 476557086 /nfs/dbraw/zinc/55/70/86/476557086.db2.gz OCWBOVDCKAOWSR-MRVPVSSYSA-N 1 2 335.751 2.650 10 5 EFBELO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000377745889 476557091 /nfs/dbraw/zinc/55/70/91/476557091.db2.gz OCWBOVDCKAOWSR-MRVPVSSYSA-N 1 2 335.751 2.650 10 5 EFBELO CC1(C)C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@]2(CCOC2)O1 ZINC000369863269 476560803 /nfs/dbraw/zinc/56/08/03/476560803.db2.gz LEZMSISONGOJGI-QGZVFWFLSA-N 1 2 347.371 2.506 10 5 EFBELO CC1(C)C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@]2(CCOC2)O1 ZINC000369863269 476560805 /nfs/dbraw/zinc/56/08/05/476560805.db2.gz LEZMSISONGOJGI-QGZVFWFLSA-N 1 2 347.371 2.506 10 5 EFBELO Cc1cn2c([nH+]1)CN(C(=O)Nc1cccc([N+](=O)[O-])c1Cl)CC2 ZINC000377827726 476602076 /nfs/dbraw/zinc/60/20/76/476602076.db2.gz ZEDLRTYHUNVIHC-UHFFFAOYSA-N 1 2 335.751 2.801 10 5 EFBELO C[C@@H]1C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@H](C)[C@@H](C)O1 ZINC000446070030 476817503 /nfs/dbraw/zinc/81/75/03/476817503.db2.gz JAYZUCHSWLTKSA-IJLUTSLNSA-N 1 2 332.360 2.643 10 5 EFBELO C[C@@H]1C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@H](C)[C@@H](C)O1 ZINC000446070030 476817510 /nfs/dbraw/zinc/81/75/10/476817510.db2.gz JAYZUCHSWLTKSA-IJLUTSLNSA-N 1 2 332.360 2.643 10 5 EFBELO C[C@@H]1C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H](C)[C@@H](C)O1 ZINC000446077807 476824782 /nfs/dbraw/zinc/82/47/82/476824782.db2.gz KTOWJAROFXRTJX-GRYCIOLGSA-N 1 2 332.360 2.643 10 5 EFBELO C[C@@H]1C[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H](C)[C@@H](C)O1 ZINC000446077807 476824790 /nfs/dbraw/zinc/82/47/90/476824790.db2.gz KTOWJAROFXRTJX-GRYCIOLGSA-N 1 2 332.360 2.643 10 5 EFBELO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000452342587 476924546 /nfs/dbraw/zinc/92/45/46/476924546.db2.gz IFZJZDKMPXSDRC-ZDUSSCGKSA-N 1 2 335.404 2.541 10 5 EFBELO COCC[C@H](Cc1ccco1)[NH+]=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1 ZINC000447685730 477036150 /nfs/dbraw/zinc/03/61/50/477036150.db2.gz NAWNMNZSZXKQCH-LLVKDONJSA-N 1 2 330.344 2.546 10 5 EFBELO Cc1nc([C@@H]2CCCC[N@@H+]2C[C@@H](O)c2cccc([N+](=O)[O-])c2)no1 ZINC000371293649 477223845 /nfs/dbraw/zinc/22/38/45/477223845.db2.gz HHGVIYWLBHESAD-LSDHHAIUSA-N 1 2 332.360 2.547 10 5 EFBELO Cc1nc([C@@H]2CCCC[N@H+]2C[C@@H](O)c2cccc([N+](=O)[O-])c2)no1 ZINC000371293649 477223854 /nfs/dbraw/zinc/22/38/54/477223854.db2.gz HHGVIYWLBHESAD-LSDHHAIUSA-N 1 2 332.360 2.547 10 5 EFBELO Cc1nc([C@H]2CCCC[N@@H+]2C[C@H](O)c2cccc([N+](=O)[O-])c2)no1 ZINC000371293643 477223893 /nfs/dbraw/zinc/22/38/93/477223893.db2.gz HHGVIYWLBHESAD-CABCVRRESA-N 1 2 332.360 2.547 10 5 EFBELO Cc1nc([C@H]2CCCC[N@H+]2C[C@H](O)c2cccc([N+](=O)[O-])c2)no1 ZINC000371293643 477223895 /nfs/dbraw/zinc/22/38/95/477223895.db2.gz HHGVIYWLBHESAD-CABCVRRESA-N 1 2 332.360 2.547 10 5 EFBELO CCn1cc[nH+]c1[C@H](C)NC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000454765298 477367293 /nfs/dbraw/zinc/36/72/93/477367293.db2.gz QFOYLCPKUHLRIJ-RYUDHWBXSA-N 1 2 331.376 2.933 10 5 EFBELO O=[N+]([O-])c1ccc2cc[nH+]c(NCCc3nnc4n3CCCC4)c2c1 ZINC000413230021 477579455 /nfs/dbraw/zinc/57/94/55/477579455.db2.gz KLEUTGLKFPNALW-UHFFFAOYSA-N 1 2 338.371 2.725 10 5 EFBELO Cc1nn(C)c(C)c1CCCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413240516 477584908 /nfs/dbraw/zinc/58/49/08/477584908.db2.gz ZNDOZVVQFDUYOA-UHFFFAOYSA-N 1 2 339.399 2.960 10 5 EFBELO O=[N+]([O-])c1ccc2cc[nH+]c(N3CC[C@H]([C@@H](O)C(F)(F)F)C3)c2c1 ZINC000413315278 477624083 /nfs/dbraw/zinc/62/40/83/477624083.db2.gz JRCPIPSIQVHMLF-GXFFZTMASA-N 1 2 341.289 2.893 10 5 EFBELO Cc1cc(N[C@@H]2CCOC2(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000450650619 477668655 /nfs/dbraw/zinc/66/86/55/477668655.db2.gz RHTUZNFOFZGSCB-CQSZACIVSA-N 1 2 328.372 2.762 10 5 EFBELO CC1=C[C@H](C)CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000451397343 477993170 /nfs/dbraw/zinc/99/31/70/477993170.db2.gz UKPKKYYTHWUZHB-LBPRGKRZSA-N 1 2 326.356 2.819 10 5 EFBELO O=[N+]([O-])c1cnc2ccccc2c1N1CCN(c2cccc[nH+]2)CC1 ZINC000487934064 478088422 /nfs/dbraw/zinc/08/84/22/478088422.db2.gz VVCNOJQHNVZZOY-UHFFFAOYSA-N 1 2 335.367 2.865 10 5 EFBELO C[C@@H]1CCC[C@H](NC(=O)C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)[C@@H]1C ZINC000534514312 478154566 /nfs/dbraw/zinc/15/45/66/478154566.db2.gz BYQPLVSXEXBCIG-CPUCHLNUSA-N 1 2 345.443 2.894 10 5 EFBELO C[C@@H]1CCC[C@H](NC(=O)C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)[C@@H]1C ZINC000534514312 478154571 /nfs/dbraw/zinc/15/45/71/478154571.db2.gz BYQPLVSXEXBCIG-CPUCHLNUSA-N 1 2 345.443 2.894 10 5 EFBELO CC1CCC(N(C)C(=O)C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CC1 ZINC000535247615 478203012 /nfs/dbraw/zinc/20/30/12/478203012.db2.gz OWAHLUVZGANXBH-UHFFFAOYSA-N 1 2 345.443 2.990 10 5 EFBELO CC1CCC(N(C)C(=O)C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CC1 ZINC000535247615 478203013 /nfs/dbraw/zinc/20/30/13/478203013.db2.gz OWAHLUVZGANXBH-UHFFFAOYSA-N 1 2 345.443 2.990 10 5 EFBELO C[C@@H]1[C@H](C)N(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CC[N@H+]1C ZINC000562484123 478255953 /nfs/dbraw/zinc/25/59/53/478255953.db2.gz SEXMPRKYGVKQGC-KGLIPLIRSA-N 1 2 349.434 2.846 10 5 EFBELO C[C@@H]1[C@H](C)N(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CC[N@@H+]1C ZINC000562484123 478255956 /nfs/dbraw/zinc/25/59/56/478255956.db2.gz SEXMPRKYGVKQGC-KGLIPLIRSA-N 1 2 349.434 2.846 10 5 EFBELO Cc1cccn2cc(CC(=O)N[C@H](C)c3ccccc3[N+](=O)[O-])[nH+]c12 ZINC000537146077 478288876 /nfs/dbraw/zinc/28/88/76/478288876.db2.gz NZLODRDIICDQBI-CYBMUJFWSA-N 1 2 338.367 2.971 10 5 EFBELO C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C[C@H]1F ZINC000590698325 478295832 /nfs/dbraw/zinc/29/58/32/478295832.db2.gz DRXZDVQMDNXEDD-WCQYABFASA-N 1 2 332.335 2.601 10 5 EFBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@]2(CCS(=O)(=O)C2)C1 ZINC000590759372 478324323 /nfs/dbraw/zinc/32/43/23/478324323.db2.gz RZZPFWNINHZVMW-BBRMVZONSA-N 1 2 338.429 2.557 10 5 EFBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@]2(CCS(=O)(=O)C2)C1 ZINC000590759372 478324329 /nfs/dbraw/zinc/32/43/29/478324329.db2.gz RZZPFWNINHZVMW-BBRMVZONSA-N 1 2 338.429 2.557 10 5 EFBELO O=C([C@@H]1CCc2[nH+]c[nH]c2C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000597421536 478343531 /nfs/dbraw/zinc/34/35/31/478343531.db2.gz QKFIDGNRWDCVFW-GFCCVEGCSA-N 1 2 340.383 2.614 10 5 EFBELO O=C([C@@H]1CCc2[nH]c[nH+]c2C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000597421536 478343541 /nfs/dbraw/zinc/34/35/41/478343541.db2.gz QKFIDGNRWDCVFW-GFCCVEGCSA-N 1 2 340.383 2.614 10 5 EFBELO CC[C@@H]1C[N@@H+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C[C@H](CC)O1 ZINC000591505183 478570008 /nfs/dbraw/zinc/57/00/08/478570008.db2.gz ADCIJIOZYNJFGX-GASCZTMLSA-N 1 2 336.388 2.771 10 5 EFBELO CC[C@@H]1C[N@H+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C[C@H](CC)O1 ZINC000591505183 478570015 /nfs/dbraw/zinc/57/00/15/478570015.db2.gz ADCIJIOZYNJFGX-GASCZTMLSA-N 1 2 336.388 2.771 10 5 EFBELO Cc1sc(C(=O)NCc2ccc[nH+]c2N2CCCC2)cc1[N+](=O)[O-] ZINC000597939755 478587316 /nfs/dbraw/zinc/58/73/16/478587316.db2.gz ARLJELKLNRROEM-UHFFFAOYSA-N 1 2 346.412 2.890 10 5 EFBELO Cn1ccnc1[C@@H]([NH2+][C@H]1COC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000595047927 478640478 /nfs/dbraw/zinc/64/04/78/478640478.db2.gz ICVPOGZRVLQPIM-HIFRSBDPSA-N 1 2 330.388 2.575 10 5 EFBELO CCOc1ccc([C@H](C)[NH2+][C@@H]2C[C@H](C)n3ncnc32)cc1[N+](=O)[O-] ZINC000595074012 478651120 /nfs/dbraw/zinc/65/11/20/478651120.db2.gz SNFXEELNEDDSJS-GMXVVIOVSA-N 1 2 331.376 2.942 10 5 EFBELO C[C@@H]1CCC[C@H](C[NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)O1 ZINC000595080075 478653526 /nfs/dbraw/zinc/65/35/26/478653526.db2.gz NRXLLRFDXDWYPJ-KBRIMQKVSA-N 1 2 344.415 2.965 10 5 EFBELO C[C@@H]1CCC[C@@H](C[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)O1 ZINC000595081382 478653675 /nfs/dbraw/zinc/65/36/75/478653675.db2.gz SABHAQVRHXLUGM-XOKHGSTOSA-N 1 2 344.415 2.965 10 5 EFBELO C[C@H](N[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)c1[nH+]ccn1C ZINC000595104942 478662609 /nfs/dbraw/zinc/66/26/09/478662609.db2.gz ATFKFCRWQAUEBM-SWLSCSKDSA-N 1 2 340.387 2.502 10 5 EFBELO C[C@H](N[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)c1[nH+]ccn1C ZINC000595109124 478663568 /nfs/dbraw/zinc/66/35/68/478663568.db2.gz UJYIBPXLKKRBEV-SWLSCSKDSA-N 1 2 340.387 2.502 10 5 EFBELO O=C(NC[C@@H]1CCC[C@H]2C[C@H]21)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000598209174 478705422 /nfs/dbraw/zinc/70/54/22/478705422.db2.gz SAYPZLDPVLWYNF-AEGPPILISA-N 1 2 340.383 2.947 10 5 EFBELO O=[N+]([O-])c1cc2c(nc1N[C@H]1CCN(c3cccc[nH+]3)C1)CCCC2 ZINC000591924403 478709290 /nfs/dbraw/zinc/70/92/90/478709290.db2.gz MLJPSXVRETVDPG-AWEZNQCLSA-N 1 2 339.399 2.954 10 5 EFBELO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCN(c2ccccc2)C1=O ZINC000595375209 478753397 /nfs/dbraw/zinc/75/33/97/478753397.db2.gz QEFIZUYRTYOYPA-MRXNPFEDSA-N 1 2 343.358 2.971 10 5 EFBELO C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCN(c2ccccc2)C1=O ZINC000595375209 478753404 /nfs/dbraw/zinc/75/34/04/478753404.db2.gz QEFIZUYRTYOYPA-MRXNPFEDSA-N 1 2 343.358 2.971 10 5 EFBELO CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1CC1 ZINC000598381300 478796731 /nfs/dbraw/zinc/79/67/31/478796731.db2.gz NSCZUBCUAHLBEK-INIZCTEOSA-N 1 2 328.372 2.945 10 5 EFBELO CCN(c1cc[nH+]cc1)S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000601366656 478804443 /nfs/dbraw/zinc/80/44/43/478804443.db2.gz FOIUYLHTJONJFT-UHFFFAOYSA-N 1 2 327.387 2.575 10 5 EFBELO O=[N+]([O-])c1cc(F)ccc1C[NH+]1CCC(Oc2cnccn2)CC1 ZINC000595479145 478809262 /nfs/dbraw/zinc/80/92/62/478809262.db2.gz CSPASAHHMXJJRQ-UHFFFAOYSA-N 1 2 332.335 2.567 10 5 EFBELO Cc1noc(C[N@@H+]2CCCN(c3ccccc3F)CC2)c1[N+](=O)[O-] ZINC000595482282 478813010 /nfs/dbraw/zinc/81/30/10/478813010.db2.gz GGBIIJRQMPATPZ-UHFFFAOYSA-N 1 2 334.351 2.743 10 5 EFBELO Cc1noc(C[N@H+]2CCCN(c3ccccc3F)CC2)c1[N+](=O)[O-] ZINC000595482282 478813018 /nfs/dbraw/zinc/81/30/18/478813018.db2.gz GGBIIJRQMPATPZ-UHFFFAOYSA-N 1 2 334.351 2.743 10 5 EFBELO COc1cccc([N+](=O)[O-])c1N1CCC[N@H+](Cc2cscn2)CC1 ZINC000572378679 478823922 /nfs/dbraw/zinc/82/39/22/478823922.db2.gz NTKBNUIJEXTPGN-UHFFFAOYSA-N 1 2 348.428 2.772 10 5 EFBELO COc1cccc([N+](=O)[O-])c1N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000572378679 478823928 /nfs/dbraw/zinc/82/39/28/478823928.db2.gz NTKBNUIJEXTPGN-UHFFFAOYSA-N 1 2 348.428 2.772 10 5 EFBELO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCN(c2ncns2)CC1 ZINC000595514592 478829469 /nfs/dbraw/zinc/82/94/69/478829469.db2.gz AQOZDLKORYJGLK-GFCCVEGCSA-N 1 2 333.417 2.638 10 5 EFBELO Cc1ccc([C@@H](C)NC(=O)N[C@H](C)c2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000595544219 478845935 /nfs/dbraw/zinc/84/59/35/478845935.db2.gz NIEYVBJSDPPHGW-VXGBXAGGSA-N 1 2 331.376 2.758 10 5 EFBELO Cc1noc(C[NH+]2CCC(C)(C(=O)OC(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000595556908 478853230 /nfs/dbraw/zinc/85/32/30/478853230.db2.gz GWVJWIHLQMDWOL-UHFFFAOYSA-N 1 2 339.392 2.835 10 5 EFBELO C[C@]1(C2CC2)C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000595617749 478892643 /nfs/dbraw/zinc/89/26/43/478892643.db2.gz JXJJGYJEXXWITB-QGZVFWFLSA-N 1 2 344.371 2.646 10 5 EFBELO C[C@]1(C2CC2)C[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000595617749 478892653 /nfs/dbraw/zinc/89/26/53/478892653.db2.gz JXJJGYJEXXWITB-QGZVFWFLSA-N 1 2 344.371 2.646 10 5 EFBELO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCO[C@](C)(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000595627439 478898456 /nfs/dbraw/zinc/89/84/56/478898456.db2.gz ZCZMYDYJKKBTMQ-UGSOOPFHSA-N 1 2 347.415 2.731 10 5 EFBELO Cc1c(NC(=O)[C@H](C)[N@H+]2CCO[C@](C)(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000595627439 478898463 /nfs/dbraw/zinc/89/84/63/478898463.db2.gz ZCZMYDYJKKBTMQ-UGSOOPFHSA-N 1 2 347.415 2.731 10 5 EFBELO C[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)CC(F)F ZINC000592673221 478990968 /nfs/dbraw/zinc/99/09/68/478990968.db2.gz SSIUGBHRPLMMJH-SNVBAGLBSA-N 1 2 338.314 2.802 10 5 EFBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC3(CCCC3)OC[C@@H]2C)c1 ZINC000595809006 479010882 /nfs/dbraw/zinc/01/08/82/479010882.db2.gz QSIMBMHGCCHDEW-ZDUSSCGKSA-N 1 2 348.399 2.915 10 5 EFBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC3(CCCC3)OC[C@@H]2C)c1 ZINC000595809006 479010887 /nfs/dbraw/zinc/01/08/87/479010887.db2.gz QSIMBMHGCCHDEW-ZDUSSCGKSA-N 1 2 348.399 2.915 10 5 EFBELO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(c2ccon2)CC1 ZINC000595827317 479020952 /nfs/dbraw/zinc/02/09/52/479020952.db2.gz CJLCNKNZJPPIKT-GFCCVEGCSA-N 1 2 344.371 2.789 10 5 EFBELO O=C(NCC[C@H]1CC1(F)F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000598784208 479025386 /nfs/dbraw/zinc/02/53/86/479025386.db2.gz SHUMMQNDWSRYBJ-NSHDSACASA-N 1 2 336.298 2.556 10 5 EFBELO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCO[C@H](CC(F)(F)F)C2)cc1 ZINC000595893293 479056415 /nfs/dbraw/zinc/05/64/15/479056415.db2.gz VUJIENJOBLTZPZ-CYBMUJFWSA-N 1 2 334.294 2.627 10 5 EFBELO O=[N+]([O-])c1ccc(OCC[N@H+]2CCO[C@H](CC(F)(F)F)C2)cc1 ZINC000595893293 479056423 /nfs/dbraw/zinc/05/64/23/479056423.db2.gz VUJIENJOBLTZPZ-CYBMUJFWSA-N 1 2 334.294 2.627 10 5 EFBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCc2c(cccc2C(N)=O)C1 ZINC000595902714 479061229 /nfs/dbraw/zinc/06/12/29/479061229.db2.gz LZUMLIURGWEMTP-LBPRGKRZSA-N 1 2 325.368 2.813 10 5 EFBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCc2c(cccc2C(N)=O)C1 ZINC000595902714 479061233 /nfs/dbraw/zinc/06/12/33/479061233.db2.gz LZUMLIURGWEMTP-LBPRGKRZSA-N 1 2 325.368 2.813 10 5 EFBELO C[C@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@](C)(C(F)F)O1 ZINC000595914508 479070135 /nfs/dbraw/zinc/07/01/35/479070135.db2.gz HQYZFRGVKVKLPH-XHDPSFHLSA-N 1 2 330.331 2.718 10 5 EFBELO C[C@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@](C)(C(F)F)O1 ZINC000595914508 479070142 /nfs/dbraw/zinc/07/01/42/479070142.db2.gz HQYZFRGVKVKLPH-XHDPSFHLSA-N 1 2 330.331 2.718 10 5 EFBELO C[C@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@](C)(C(F)F)O1 ZINC000595920965 479073482 /nfs/dbraw/zinc/07/34/82/479073482.db2.gz VOKDMBLHKIMNSY-XHDPSFHLSA-N 1 2 330.331 2.718 10 5 EFBELO C[C@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@](C)(C(F)F)O1 ZINC000595920965 479073491 /nfs/dbraw/zinc/07/34/91/479073491.db2.gz VOKDMBLHKIMNSY-XHDPSFHLSA-N 1 2 330.331 2.718 10 5 EFBELO C[C@H]([NH2+][C@@H]1c2ccccc2CN(C)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000598932698 479088330 /nfs/dbraw/zinc/08/83/30/479088330.db2.gz DCLWDWWDSHTFSB-YVEFUNNKSA-N 1 2 325.368 2.959 10 5 EFBELO C[C@@H]([NH2+][C@@H]1c2ccccc2CN(C)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000598932696 479088873 /nfs/dbraw/zinc/08/88/73/479088873.db2.gz DCLWDWWDSHTFSB-SJKOYZFVSA-N 1 2 325.368 2.959 10 5 EFBELO CC(C)c1ncc2c(n1)CC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000598934662 479090494 /nfs/dbraw/zinc/09/04/94/479090494.db2.gz AAEBAOANJPNORZ-UHFFFAOYSA-N 1 2 342.399 2.945 10 5 EFBELO CC(C)c1ncc2c(n1)CC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000598934662 479090500 /nfs/dbraw/zinc/09/05/00/479090500.db2.gz AAEBAOANJPNORZ-UHFFFAOYSA-N 1 2 342.399 2.945 10 5 EFBELO C[C@H]1C(=O)Nc2ccccc2C[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000598947509 479096677 /nfs/dbraw/zinc/09/66/77/479096677.db2.gz CKBUGIULTISDMN-ZDUSSCGKSA-N 1 2 341.367 2.816 10 5 EFBELO C[C@H]1C(=O)Nc2ccccc2C[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000598947509 479096685 /nfs/dbraw/zinc/09/66/85/479096685.db2.gz CKBUGIULTISDMN-ZDUSSCGKSA-N 1 2 341.367 2.816 10 5 EFBELO CN1CCCC[C@H]([N@H+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])C1=O ZINC000601969848 479100938 /nfs/dbraw/zinc/10/09/38/479100938.db2.gz LYCYPFALPJAMMB-ZDUSSCGKSA-N 1 2 325.796 2.691 10 5 EFBELO CN1CCCC[C@H]([N@@H+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])C1=O ZINC000601969848 479100944 /nfs/dbraw/zinc/10/09/44/479100944.db2.gz LYCYPFALPJAMMB-ZDUSSCGKSA-N 1 2 325.796 2.691 10 5 EFBELO CN1CCCC[C@@H]([N@H+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])C1=O ZINC000601969846 479101739 /nfs/dbraw/zinc/10/17/39/479101739.db2.gz LYCYPFALPJAMMB-CYBMUJFWSA-N 1 2 325.796 2.691 10 5 EFBELO CN1CCCC[C@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2Cl)C1=O ZINC000601969751 479101726 /nfs/dbraw/zinc/10/17/26/479101726.db2.gz KVGVRCCZAOWXMV-AWEZNQCLSA-N 1 2 325.796 2.691 10 5 EFBELO CN1CCCC[C@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2Cl)C1=O ZINC000601969751 479101731 /nfs/dbraw/zinc/10/17/31/479101731.db2.gz KVGVRCCZAOWXMV-AWEZNQCLSA-N 1 2 325.796 2.691 10 5 EFBELO CN1CCCC[C@@H]([N@@H+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])C1=O ZINC000601969846 479101742 /nfs/dbraw/zinc/10/17/42/479101742.db2.gz LYCYPFALPJAMMB-CYBMUJFWSA-N 1 2 325.796 2.691 10 5 EFBELO NC(=O)CC[C@@H]1CCCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599038900 479135214 /nfs/dbraw/zinc/13/52/14/479135214.db2.gz VXCFWMAMHRWNIW-LBPRGKRZSA-N 1 2 328.372 2.625 10 5 EFBELO O=C(NCCCNc1ccc2c[nH+]ccc2c1[N+](=O)[O-])C1CCC1 ZINC000599052987 479140223 /nfs/dbraw/zinc/14/02/23/479140223.db2.gz DDHIKVFSORTBCB-UHFFFAOYSA-N 1 2 328.372 2.861 10 5 EFBELO C[C@@H]1CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C[C@@]2(CCCOC2)O1 ZINC000599069878 479148029 /nfs/dbraw/zinc/14/80/29/479148029.db2.gz AFYSWJHQSMPSKN-FZKQIMNGSA-N 1 2 343.383 2.917 10 5 EFBELO C[C@@H](CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-])N1CCCCC1=O ZINC000599069072 479148197 /nfs/dbraw/zinc/14/81/97/479148197.db2.gz SVTRSVAOOHUOPL-LBPRGKRZSA-N 1 2 328.372 2.956 10 5 EFBELO CC[C@@H]1CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000599070465 479149670 /nfs/dbraw/zinc/14/96/70/479149670.db2.gz IKJMIOBRRAWWAT-KDOFPFPSSA-N 1 2 343.383 2.917 10 5 EFBELO CCS(=O)(=O)C1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599073798 479150581 /nfs/dbraw/zinc/15/05/81/479150581.db2.gz NLKTVFTTWUDLCD-UHFFFAOYSA-N 1 2 349.412 2.547 10 5 EFBELO CC[C@@H]1CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C[C@@H](C)S1(=O)=O ZINC000599085078 479155781 /nfs/dbraw/zinc/15/57/81/479155781.db2.gz LIYGKTMSMZNPRS-DGCLKSJQSA-N 1 2 349.412 2.545 10 5 EFBELO NC(=O)[C@H]1CC[C@H](CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599093527 479158783 /nfs/dbraw/zinc/15/87/83/479158783.db2.gz WGFQKKSGBDOBNT-HAQNSBGRSA-N 1 2 328.372 2.847 10 5 EFBELO Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)CC2 ZINC000599101149 479161874 /nfs/dbraw/zinc/16/18/74/479161874.db2.gz IDBCKHXHVNAJNZ-TZMCWYRMSA-N 1 2 328.372 2.540 10 5 EFBELO COC(=O)c1cc(N2CCC[C@H](n3cc[nH+]c3)C2)cc(C)c1[N+](=O)[O-] ZINC000610769864 479182711 /nfs/dbraw/zinc/18/27/11/479182711.db2.gz NZWNZYUPVXSNIB-ZDUSSCGKSA-N 1 2 344.371 2.728 10 5 EFBELO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000593118374 479185689 /nfs/dbraw/zinc/18/56/89/479185689.db2.gz QULVOLXVAKCZLZ-CQSZACIVSA-N 1 2 325.315 2.573 10 5 EFBELO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000593118374 479185696 /nfs/dbraw/zinc/18/56/96/479185696.db2.gz QULVOLXVAKCZLZ-CQSZACIVSA-N 1 2 325.315 2.573 10 5 EFBELO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000599167910 479192523 /nfs/dbraw/zinc/19/25/23/479192523.db2.gz UTUUHMMBQCFPLW-PSVOKBTDSA-N 1 2 331.397 2.633 10 5 EFBELO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000602134210 479195466 /nfs/dbraw/zinc/19/54/66/479195466.db2.gz UHJIZQJNTNUUJD-HUUCEWRRSA-N 1 2 326.356 2.613 10 5 EFBELO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000602134210 479195470 /nfs/dbraw/zinc/19/54/70/479195470.db2.gz UHJIZQJNTNUUJD-HUUCEWRRSA-N 1 2 326.356 2.613 10 5 EFBELO Cc1cc(N[C@@H]2CO[C@@H](C3CC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000599181910 479198113 /nfs/dbraw/zinc/19/81/13/479198113.db2.gz VCUVNZGVHYUEJW-GOEBONIOSA-N 1 2 340.383 2.762 10 5 EFBELO Cc1ccc(NC[C@H]2C[N@H+](Cc3ccncc3)CCO2)c([N+](=O)[O-])c1 ZINC000599184311 479199762 /nfs/dbraw/zinc/19/97/62/479199762.db2.gz ZGBKPGJNLDPHLA-INIZCTEOSA-N 1 2 342.399 2.611 10 5 EFBELO Cc1ccc(NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)c([N+](=O)[O-])c1 ZINC000599184311 479199771 /nfs/dbraw/zinc/19/97/71/479199771.db2.gz ZGBKPGJNLDPHLA-INIZCTEOSA-N 1 2 342.399 2.611 10 5 EFBELO COc1ccc(NCc2cc([N+](=O)[O-])ccc2OC(F)F)[nH+]c1 ZINC000610890405 479225018 /nfs/dbraw/zinc/22/50/18/479225018.db2.gz YRMLNDFRKHIGEG-UHFFFAOYSA-N 1 2 325.271 2.634 10 5 EFBELO C[N@@H+]1CCO[C@H](CSc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000596284542 479237751 /nfs/dbraw/zinc/23/77/51/479237751.db2.gz AFOIMTDQURULFA-VIFPVBQESA-N 1 2 347.234 2.780 10 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EFBELO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCO[C@@H](c3nccs3)C2)cc1 ZINC000195521859 527371676 /nfs/dbraw/zinc/37/16/76/527371676.db2.gz RLVPOUFAOVMFAU-OAHLLOKOSA-N 1 2 349.412 2.894 10 5 EFBELO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000174751465 528210123 /nfs/dbraw/zinc/21/01/23/528210123.db2.gz IZOJXSRKQFYKLZ-CQSZACIVSA-N 1 2 348.321 2.881 10 5 EFBELO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000174751465 528210127 /nfs/dbraw/zinc/21/01/27/528210127.db2.gz IZOJXSRKQFYKLZ-CQSZACIVSA-N 1 2 348.321 2.881 10 5 EFBELO CC(C)(C)c1cc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)no1 ZINC000351712829 535108161 /nfs/dbraw/zinc/10/81/61/535108161.db2.gz ROWUCOPIFILVIX-LBPRGKRZSA-N 1 2 345.403 2.962 10 5 EFBELO CC(C)(C)c1cc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)no1 ZINC000351712829 535108165 /nfs/dbraw/zinc/10/81/65/535108165.db2.gz ROWUCOPIFILVIX-LBPRGKRZSA-N 1 2 345.403 2.962 10 5 EFBELO CCN(c1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCOC1 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C[C@H]1CC2(CCC2)C[N@H+]1Cn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O ZINC000762141295 576264374 /nfs/dbraw/zinc/26/43/74/576264374.db2.gz XWLUYYHXBSBIHY-LBPRGKRZSA-N 1 2 344.371 2.634 10 5 EFBELO CC(=O)c1c([N+](=O)[O-])cccc1N1CC[NH+](Cc2ccccn2)CC1 ZINC000763207123 576367033 /nfs/dbraw/zinc/36/70/33/576367033.db2.gz RLPBWMNPJIUOJD-UHFFFAOYSA-N 1 2 340.383 2.515 10 5 EFBELO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000766123336 577111395 /nfs/dbraw/zinc/11/13/95/577111395.db2.gz ZMXPEQZJLWVFQH-SECBINFHSA-N 1 2 345.277 2.735 10 5 EFBELO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000766123336 577111398 /nfs/dbraw/zinc/11/13/98/577111398.db2.gz ZMXPEQZJLWVFQH-SECBINFHSA-N 1 2 345.277 2.735 10 5 EFBELO CC(C)c1ccc(C[N@@H+]2CCN3C(=O)OCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000770388623 577414532 /nfs/dbraw/zinc/41/45/32/577414532.db2.gz DSINENDQENIGGO-AWEZNQCLSA-N 1 2 333.388 2.745 10 5 EFBELO CC(C)c1ccc(C[N@H+]2CCN3C(=O)OCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000770388623 577414533 /nfs/dbraw/zinc/41/45/33/577414533.db2.gz DSINENDQENIGGO-AWEZNQCLSA-N 1 2 333.388 2.745 10 5 EFBELO Cc1ccc(COC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])c(C)[nH+]1 ZINC000772107989 581283564 /nfs/dbraw/zinc/28/35/64/581283564.db2.gz GUXSRXVLFVUGOE-UHFFFAOYSA-N 1 2 344.323 2.541 10 5 EFBELO O=[N+]([O-])c1cc2cnn(C[N@@H+]3CCCSCC3)c2c(Cl)c1 ZINC000774633876 581495827 /nfs/dbraw/zinc/49/58/27/581495827.db2.gz DWWYZXHIRRHVAJ-UHFFFAOYSA-N 1 2 326.809 2.994 10 5 EFBELO O=[N+]([O-])c1cc2cnn(C[N@H+]3CCCSCC3)c2c(Cl)c1 ZINC000774633876 581495828 /nfs/dbraw/zinc/49/58/28/581495828.db2.gz DWWYZXHIRRHVAJ-UHFFFAOYSA-N 1 2 326.809 2.994 10 5 EFBELO C[N@H+](CC(F)F)C1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000774666340 581497064 /nfs/dbraw/zinc/49/70/64/581497064.db2.gz GSJCRYGJVGYQKS-UHFFFAOYSA-N 1 2 339.346 2.637 10 5 EFBELO C[N@@H+](CC(F)F)C1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000774666340 581497065 /nfs/dbraw/zinc/49/70/65/581497065.db2.gz GSJCRYGJVGYQKS-UHFFFAOYSA-N 1 2 339.346 2.637 10 5 EFBELO Cc1nn(C[N@@H+]2CCC[C@]3(C2)OCc2ccccc23)cc1[N+](=O)[O-] ZINC000774697751 581498187 /nfs/dbraw/zinc/49/81/87/581498187.db2.gz DISXAPQEVHLSDM-QGZVFWFLSA-N 1 2 328.372 2.579 10 5 EFBELO Cc1nn(C[N@H+]2CCC[C@]3(C2)OCc2ccccc23)cc1[N+](=O)[O-] ZINC000774697751 581498188 /nfs/dbraw/zinc/49/81/88/581498188.db2.gz DISXAPQEVHLSDM-QGZVFWFLSA-N 1 2 328.372 2.579 10 5 EFBELO CC[N@H+](CCNC(=O)c1cocc1C)Cc1csc([N+](=O)[O-])c1 ZINC001691035932 1248032150 /nfs/dbraw/zinc/03/21/50/1248032150.db2.gz QUKYGEQFHUMQTQ-UHFFFAOYSA-N 1 2 337.401 2.810 10 5 EFBELO CC[N@@H+](CCNC(=O)c1cocc1C)Cc1csc([N+](=O)[O-])c1 ZINC001691035932 1248032157 /nfs/dbraw/zinc/03/21/57/1248032157.db2.gz QUKYGEQFHUMQTQ-UHFFFAOYSA-N 1 2 337.401 2.810 10 5 EFBELO C[NH+](C)Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c(F)c1 ZINC001299306644 1265464536 /nfs/dbraw/zinc/46/45/36/1265464536.db2.gz QAJWSIYIULRIBP-UHFFFAOYSA-N 1 2 333.319 2.753 10 5 EFBELO Cc1c[nH+]c2cc(C(=O)OCc3ncc(C)c([N+](=O)[O-])c3C)ccn12 ZINC001128190396 1263580485 /nfs/dbraw/zinc/58/04/85/1263580485.db2.gz UDCWNSNKJMPQHZ-UHFFFAOYSA-N 1 2 340.339 2.920 10 5 EFBELO CC(C)c1cnc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)o1 ZINC000735875115 1267438811 /nfs/dbraw/zinc/43/88/11/1267438811.db2.gz YNUGVCHPGUURNS-GFCCVEGCSA-N 1 2 331.376 2.788 10 5 EFBELO CC(C)c1cnc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)o1 ZINC000735875115 1267438812 /nfs/dbraw/zinc/43/88/12/1267438812.db2.gz YNUGVCHPGUURNS-GFCCVEGCSA-N 1 2 331.376 2.788 10 5 EFBELO O=[N+]([O-])c1cccc([N+](=O)[O-])c1NC1CCN(c2cccc[nH+]2)CC1 ZINC000804351663 1273474446 /nfs/dbraw/zinc/47/44/46/1273474446.db2.gz AUGWCJNSTWWHCM-UHFFFAOYSA-N 1 2 343.343 2.979 10 5 EFBELO Cc1ccccc1[C@@H](O)C[NH+]1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000787253682 1275724169 /nfs/dbraw/zinc/72/41/69/1275724169.db2.gz RTSYDUMZBXPXBV-SFHVURJKSA-N 1 2 328.368 2.700 10 5 EFBELO Cc1ccccc1[C@H](O)C[NH+]1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000787253680 1275724185 /nfs/dbraw/zinc/72/41/85/1275724185.db2.gz RTSYDUMZBXPXBV-GOSISDBHSA-N 1 2 328.368 2.700 10 5 EFBELO C[C@@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1=O)c1c(F)cccc1[N+](=O)[O-] ZINC000872045826 1287410340 /nfs/dbraw/zinc/41/03/40/1287410340.db2.gz RQQNTHLMISYHPU-SCZZXKLOSA-N 1 2 349.284 2.548 10 5 EFBELO C[C@@H]([NH2+]C[C@H](n1cncn1)C(F)(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872091822 1287426118 /nfs/dbraw/zinc/42/61/18/1287426118.db2.gz KJJVUCSFTYFUEG-KCJUWKMLSA-N 1 2 347.272 2.780 10 5 EFBELO Cn1ccnc1[C@H]([NH2+]C[C@H]1CC(C)(C)CO1)c1cccc([N+](=O)[O-])c1 ZINC000872107522 1287430475 /nfs/dbraw/zinc/43/04/75/1287430475.db2.gz ZDHPSKSSSUFLMN-HZPDHXFCSA-N 1 2 344.415 2.822 10 5 EFBELO CC(=O)C1CC[NH+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000846948518 1280652473 /nfs/dbraw/zinc/65/24/73/1280652473.db2.gz AGAODTMAYQILHF-GFCCVEGCSA-N 1 2 333.388 2.531 10 5 EFBELO COc1ccc(CC(N)=[NH+]OCc2ccc([N+](=O)[O-])c(OC)c2)cc1 ZINC000809995104 1282732000 /nfs/dbraw/zinc/73/20/00/1282732000.db2.gz LKLSLDZVWSHUGV-UHFFFAOYSA-N 1 2 345.355 2.853 10 5 EFBELO CC1(C2CC2)CC[NH+](CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CC1 ZINC000811785074 1284649234 /nfs/dbraw/zinc/64/92/34/1284649234.db2.gz UPDMZLTXBLUTKV-UHFFFAOYSA-N 1 2 343.383 2.660 10 5 EFBELO Cc1ccc(N2CCn3c[nH+]cc3C2)c([N+](=O)[O-])c1Br ZINC000811858128 1284699892 /nfs/dbraw/zinc/69/98/92/1284699892.db2.gz RGZYILBFDPOXEL-UHFFFAOYSA-N 1 2 337.177 2.882 10 5 EFBELO CC(C)C[C@@H](C(=O)NCCNc1ccccc1[N+](=O)[O-])n1cc[nH+]c1 ZINC001135880817 1288543933 /nfs/dbraw/zinc/54/39/33/1288543933.db2.gz CTUMOGLOJIFJRN-INIZCTEOSA-N 1 2 345.403 2.607 10 5 EFBELO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1c[nH+]c(CC)[nH]1 ZINC001178670349 1288858097 /nfs/dbraw/zinc/85/80/97/1288858097.db2.gz WBHMUNBXQREHRX-UHFFFAOYSA-N 1 2 334.401 2.922 10 5 EFBELO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1c[nH]c(CC)[nH+]1 ZINC001178670349 1288858107 /nfs/dbraw/zinc/85/81/07/1288858107.db2.gz WBHMUNBXQREHRX-UHFFFAOYSA-N 1 2 334.401 2.922 10 5 EFBELO O=C(NC[C@]12C[C@H]1CCC2)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000885993653 1294609278 /nfs/dbraw/zinc/60/92/78/1294609278.db2.gz RVJOCOMULXYBAY-DYVFJYSZSA-N 1 2 326.356 2.701 10 5 EFBELO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCO[C@H](c3ccsc3)C2)cc1 ZINC000776585893 1299655335 /nfs/dbraw/zinc/65/53/35/1299655335.db2.gz CHSGNOVNGRWQPK-HOTGVXAUSA-N 1 2 334.397 2.763 10 5 EFBELO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCO[C@H](c3ccsc3)C2)cc1 ZINC000776585893 1299655342 /nfs/dbraw/zinc/65/53/42/1299655342.db2.gz CHSGNOVNGRWQPK-HOTGVXAUSA-N 1 2 334.397 2.763 10 5 EFBELO O=[N+]([O-])c1cc(C[N@@H+]2CCC3(COC3)C2)ccc1Br ZINC000852683199 1299811078 /nfs/dbraw/zinc/81/10/78/1299811078.db2.gz HISOGIZPEYWHIE-UHFFFAOYSA-N 1 2 327.178 2.580 10 5 EFBELO O=[N+]([O-])c1cc(C[N@H+]2CCC3(COC3)C2)ccc1Br ZINC000852683199 1299811090 /nfs/dbraw/zinc/81/10/90/1299811090.db2.gz HISOGIZPEYWHIE-UHFFFAOYSA-N 1 2 327.178 2.580 10 5 EFBELO C[C@@]1(C2CC2)C[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CCO1 ZINC000853528162 1300149013 /nfs/dbraw/zinc/14/90/13/1300149013.db2.gz GSJKFFGCQRXGCB-SFHVURJKSA-N 1 2 342.399 2.917 10 5 EFBELO C[C@@]1(C2CC2)C[N@@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CCO1 ZINC000853528162 1300149017 /nfs/dbraw/zinc/14/90/17/1300149017.db2.gz GSJKFFGCQRXGCB-SFHVURJKSA-N 1 2 342.399 2.917 10 5 EFBELO Cc1nn(C[N@H+]2CC3(CCC3)OC[C@@H]2C)c2ccc([N+](=O)[O-])cc12 ZINC000853541876 1300157507 /nfs/dbraw/zinc/15/75/07/1300157507.db2.gz VAGBDNVOYIUWDM-LBPRGKRZSA-N 1 2 330.388 2.854 10 5 EFBELO Cc1nn(C[N@@H+]2CC3(CCC3)OC[C@@H]2C)c2ccc([N+](=O)[O-])cc12 ZINC000853541876 1300157510 /nfs/dbraw/zinc/15/75/10/1300157510.db2.gz VAGBDNVOYIUWDM-LBPRGKRZSA-N 1 2 330.388 2.854 10 5 EFBELO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c1 ZINC000859884715 1301619129 /nfs/dbraw/zinc/61/91/29/1301619129.db2.gz OTHSRVLEZDFGQI-RRMDADRESA-N 1 2 328.821 2.734 10 5 EFBELO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c1 ZINC000859884715 1301619137 /nfs/dbraw/zinc/61/91/37/1301619137.db2.gz OTHSRVLEZDFGQI-RRMDADRESA-N 1 2 328.821 2.734 10 5 EFBELO C[C@@H]1C[C@H](CO)CC[N@@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000860089658 1301696130 /nfs/dbraw/zinc/69/61/30/1301696130.db2.gz FDORDOCYOBHXDL-ZYHUDNBSSA-N 1 2 343.221 2.950 10 5 EFBELO C[C@@H]1C[C@H](CO)CC[N@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000860089658 1301696137 /nfs/dbraw/zinc/69/61/37/1301696137.db2.gz FDORDOCYOBHXDL-ZYHUDNBSSA-N 1 2 343.221 2.950 10 5 EFBELO Cc1ccc(C[N@@H+]2CCO[C@@H](CNc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000866191003 1303556162 /nfs/dbraw/zinc/55/61/62/1303556162.db2.gz QRKSSRNXFQYNAZ-KRWDZBQOSA-N 1 2 342.399 2.611 10 5 EFBELO Cc1ccc(C[N@H+]2CCO[C@@H](CNc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000866191003 1303556166 /nfs/dbraw/zinc/55/61/66/1303556166.db2.gz QRKSSRNXFQYNAZ-KRWDZBQOSA-N 1 2 342.399 2.611 10 5 EFBELO Cc1cccc(C[N@@H+]2CCO[C@H](CNc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000866189580 1303556388 /nfs/dbraw/zinc/55/63/88/1303556388.db2.gz BUIBXVNHJRTNPC-QGZVFWFLSA-N 1 2 342.399 2.611 10 5 EFBELO Cc1cccc(C[N@H+]2CCO[C@H](CNc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000866189580 1303556393 /nfs/dbraw/zinc/55/63/93/1303556393.db2.gz BUIBXVNHJRTNPC-QGZVFWFLSA-N 1 2 342.399 2.611 10 5 EFBELO O=C(NCC[C@@H]1CCSC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000869596938 1304868364 /nfs/dbraw/zinc/86/83/64/1304868364.db2.gz YCEQPTJPOWYMIK-GFCCVEGCSA-N 1 2 346.412 2.654 10 5 EFBELO O=C(NCC[C@@H]1CCCS1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000871028122 1305752316 /nfs/dbraw/zinc/75/23/16/1305752316.db2.gz XGMWOOMNPOJARI-ZDUSSCGKSA-N 1 2 346.412 2.796 10 5 EFBELO O=C(NCC[C@@H]1CCCS1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000871039281 1305760092 /nfs/dbraw/zinc/76/00/92/1305760092.db2.gz YOCRVWSVFFWJDQ-ZDUSSCGKSA-N 1 2 346.412 2.796 10 5 EFBELO Nc1ccc(CCC(=O)OCc2cc([N+](=O)[O-])ccc2Cl)c[nH+]1 ZINC000751458936 1311120145 /nfs/dbraw/zinc/12/01/45/1311120145.db2.gz OVWUMZAIHIWTFX-UHFFFAOYSA-N 1 2 335.747 2.901 10 5 EFBELO Nc1ccc(CCC(=O)OCc2ccc(Cl)cc2[N+](=O)[O-])c[nH+]1 ZINC000751458075 1311120253 /nfs/dbraw/zinc/12/02/53/1311120253.db2.gz JMAIMFBHAOQJRW-UHFFFAOYSA-N 1 2 335.747 2.901 10 5 EFBELO CC(C)(C(=O)O[C@H]1CC[N@H+](CCF)C1)c1ccc([N+](=O)[O-])cc1F ZINC000802230794 1311488861 /nfs/dbraw/zinc/48/88/61/1311488861.db2.gz PKLGYVOGBGKOAH-LBPRGKRZSA-N 1 2 342.342 2.599 10 5 EFBELO CC(C)(C(=O)O[C@H]1CC[N@@H+](CCF)C1)c1ccc([N+](=O)[O-])cc1F ZINC000802230794 1311488863 /nfs/dbraw/zinc/48/88/63/1311488863.db2.gz PKLGYVOGBGKOAH-LBPRGKRZSA-N 1 2 342.342 2.599 10 5 EFBELO CCOC(=O)c1cc([N+](=O)[O-])c(N(C)Cc2ccc(N)[nH+]c2)cc1C ZINC001162995062 1312220976 /nfs/dbraw/zinc/22/09/76/1312220976.db2.gz RHXYSCLCIFSOIL-UHFFFAOYSA-N 1 2 344.371 2.694 10 5 EFBELO Nc1ccc(CCC(=O)OCc2c(F)cc([N+](=O)[O-])cc2F)c[nH+]1 ZINC000803405806 1312592822 /nfs/dbraw/zinc/59/28/22/1312592822.db2.gz IQISHPFWHICSBZ-UHFFFAOYSA-N 1 2 337.282 2.526 10 5 EFBELO O=C(NCCc1cccs1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001264046903 1316583081 /nfs/dbraw/zinc/58/30/81/1316583081.db2.gz QKWQQNQDTAVUSR-UHFFFAOYSA-N 1 2 342.380 2.815 10 5 EFBELO C[C@H]1C[C@@H](O)C[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000825311837 1321797274 /nfs/dbraw/zinc/79/72/74/1321797274.db2.gz OQGAICJRULSIKT-VHSXEESVSA-N 1 2 329.194 2.560 10 5 EFBELO C[C@H]1C[C@@H](O)C[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000825311837 1321797277 /nfs/dbraw/zinc/79/72/77/1321797277.db2.gz OQGAICJRULSIKT-VHSXEESVSA-N 1 2 329.194 2.560 10 5 EFBELO CC(C)c1[nH]cc(CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)[nH+]1 ZINC001307219563 1323052901 /nfs/dbraw/zinc/05/29/01/1323052901.db2.gz PLZZHGGGQZDXMO-UHFFFAOYSA-N 1 2 329.360 2.938 10 5 EFBELO CC(C)c1[nH]c(CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)c[nH+]1 ZINC001307219563 1323052909 /nfs/dbraw/zinc/05/29/09/1323052909.db2.gz PLZZHGGGQZDXMO-UHFFFAOYSA-N 1 2 329.360 2.938 10 5 EFBELO CC(C)(C)c1ccc(C(=O)N2CC[N@@H+]3C[C@@H](F)C[C@H]3C2)cc1[N+](=O)[O-] ZINC001298331192 1323492368 /nfs/dbraw/zinc/49/23/68/1323492368.db2.gz FIJUJMQFPGLALQ-KBPBESRZSA-N 1 2 349.406 2.761 10 5 EFBELO CC(C)(C)c1ccc(C(=O)N2CC[N@H+]3C[C@@H](F)C[C@H]3C2)cc1[N+](=O)[O-] ZINC001298331192 1323492373 /nfs/dbraw/zinc/49/23/73/1323492373.db2.gz FIJUJMQFPGLALQ-KBPBESRZSA-N 1 2 349.406 2.761 10 5 EFBELO Cc1ccc([N+](=O)[O-])c(C(=O)NCCCN(C)c2cccc[nH+]2)c1C ZINC001302981242 1324590778 /nfs/dbraw/zinc/59/07/78/1324590778.db2.gz TWJJMEPNZCDVEU-UHFFFAOYSA-N 1 2 342.399 2.863 10 5 EFBELO CC[C@H]1C[N@H+](CC[N+](=O)[O-])[C@@H](CC)CN1C(=O)OCc1ccccc1 ZINC001307482251 1324770436 /nfs/dbraw/zinc/77/04/36/1324770436.db2.gz MBFUIDXHQMIFEK-IRXDYDNUSA-N 1 2 349.431 2.775 10 5 EFBELO CC[C@H]1C[N@@H+](CC[N+](=O)[O-])[C@@H](CC)CN1C(=O)OCc1ccccc1 ZINC001307482251 1324770440 /nfs/dbraw/zinc/77/04/40/1324770440.db2.gz MBFUIDXHQMIFEK-IRXDYDNUSA-N 1 2 349.431 2.775 10 5 EFBELO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@H]3[C@@H](C2)C3(F)F)cccc1[N+](=O)[O-] ZINC001307598569 1324773634 /nfs/dbraw/zinc/77/36/34/1324773634.db2.gz XMWSANLXGRQADW-SDDRHHMPSA-N 1 2 339.342 2.817 10 5 EFBELO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@H]3[C@@H](C2)C3(F)F)cccc1[N+](=O)[O-] ZINC001307598569 1324773640 /nfs/dbraw/zinc/77/36/40/1324773640.db2.gz XMWSANLXGRQADW-SDDRHHMPSA-N 1 2 339.342 2.817 10 5 EFBELO CC(C)c1nnc(CC2CC[NH+](Cc3cccnc3[N+](=O)[O-])CC2)[nH]1 ZINC001307889008 1324784438 /nfs/dbraw/zinc/78/44/38/1324784438.db2.gz CLCXFXGXTGINNJ-UHFFFAOYSA-N 1 2 344.419 2.686 10 5 EFBELO CC(C)c1nc(CC2CC[NH+](Cc3cccnc3[N+](=O)[O-])CC2)n[nH]1 ZINC001307889008 1324784442 /nfs/dbraw/zinc/78/44/42/1324784442.db2.gz CLCXFXGXTGINNJ-UHFFFAOYSA-N 1 2 344.419 2.686 10 5 EFBELO CCOC(=O)c1c(C)n[nH]c1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001308069088 1324791198 /nfs/dbraw/zinc/79/11/98/1324791198.db2.gz AKKSCGGFMWDJDK-SNVBAGLBSA-N 1 2 332.360 2.654 10 5 EFBELO CCC[N@H+](CCNC(=O)c1ccncc1)Cc1csc([N+](=O)[O-])c1 ZINC001317539510 1325006668 /nfs/dbraw/zinc/00/66/68/1325006668.db2.gz VSVJOROZKFDVQG-UHFFFAOYSA-N 1 2 348.428 2.693 10 5 EFBELO CCC[N@@H+](CCNC(=O)c1ccncc1)Cc1csc([N+](=O)[O-])c1 ZINC001317539510 1325006675 /nfs/dbraw/zinc/00/66/75/1325006675.db2.gz VSVJOROZKFDVQG-UHFFFAOYSA-N 1 2 348.428 2.693 10 5 EFBELO CC[N@H+](CCNC(=O)c1ccc(C)o1)Cc1csc([N+](=O)[O-])c1 ZINC001317473015 1328060231 /nfs/dbraw/zinc/06/02/31/1328060231.db2.gz HLJLTXSUTAACTP-UHFFFAOYSA-N 1 2 337.401 2.810 10 5 EFBELO CC[N@@H+](CCNC(=O)c1ccc(C)o1)Cc1csc([N+](=O)[O-])c1 ZINC001317473015 1328060238 /nfs/dbraw/zinc/06/02/38/1328060238.db2.gz HLJLTXSUTAACTP-UHFFFAOYSA-N 1 2 337.401 2.810 10 5 EFBELO CC(C)(COC(=O)CCNc1ccccc1[N+](=O)[O-])n1cc[nH+]c1 ZINC001349030696 1332897978 /nfs/dbraw/zinc/89/79/78/1332897978.db2.gz CBEJKSAPKBUYMA-UHFFFAOYSA-N 1 2 332.360 2.572 10 5 EFBELO COc1ccc(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC001349860630 1333005831 /nfs/dbraw/zinc/00/58/31/1333005831.db2.gz WROOCDRVJIMCCD-UHFFFAOYSA-N 1 2 345.359 2.738 10 5 EFBELO Cc1cc(F)cc(C(=O)N2CCC(Cc3c[nH]c[nH+]3)CC2)c1[N+](=O)[O-] ZINC001350826022 1333138739 /nfs/dbraw/zinc/13/87/39/1333138739.db2.gz BRNKYXUGFXJYAO-UHFFFAOYSA-N 1 2 346.362 2.860 10 5 EFBELO CC(=O)c1c([N+](=O)[O-])cccc1N1CCc2cc[nH+]c(N(C)C)c2C1 ZINC001354362535 1334251947 /nfs/dbraw/zinc/25/19/47/1334251947.db2.gz SOWUZMVFTSZBBS-UHFFFAOYSA-N 1 2 340.383 2.821 10 5 EFBELO Cc1cn2cc(NC(=O)Cc3ccc(F)cc3[N+](=O)[O-])ccc2[nH+]1 ZINC001357622094 1335320782 /nfs/dbraw/zinc/32/07/82/1335320782.db2.gz YKSHXGDRNKRCNG-UHFFFAOYSA-N 1 2 328.303 2.871 10 5 EFBELO CC[N@H+](CCNC(=O)c1ccoc1C)Cc1csc([N+](=O)[O-])c1 ZINC001492909537 1363601811 /nfs/dbraw/zinc/60/18/11/1363601811.db2.gz AIRJYFBDFLDCHR-UHFFFAOYSA-N 1 2 337.401 2.810 10 5 EFBELO CC[N@@H+](CCNC(=O)c1ccoc1C)Cc1csc([N+](=O)[O-])c1 ZINC001492909537 1363601812 /nfs/dbraw/zinc/60/18/12/1363601812.db2.gz AIRJYFBDFLDCHR-UHFFFAOYSA-N 1 2 337.401 2.810 10 5 EFBELO CC[NH+](CC)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC001437468499 1387672249 /nfs/dbraw/zinc/67/22/49/1387672249.db2.gz NUSLSBVHAMMJDY-HUUCEWRRSA-N 1 2 339.823 2.680 10 5 EFBELO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC001438570003 1388675676 /nfs/dbraw/zinc/67/56/76/1388675676.db2.gz CPJVXFRWUZZFRK-QGZVFWFLSA-N 1 2 343.358 2.959 10 5 EFBELO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC001438570003 1388675680 /nfs/dbraw/zinc/67/56/80/1388675680.db2.gz CPJVXFRWUZZFRK-QGZVFWFLSA-N 1 2 343.358 2.959 10 5 EFBELO CN(Cc1ccc(N)[nH+]c1)c1cccc(Br)c1[N+](=O)[O-] ZINC001458307322 1395442588 /nfs/dbraw/zinc/44/25/88/1395442588.db2.gz SUULJFKCJLLQJT-UHFFFAOYSA-N 1 2 337.177 2.971 10 5 EFBELO O=C1CCc2cc([N+](=O)[O-])c(NCc3[nH]c4c([nH+]3)CCCC4)cc2N1 ZINC001458642629 1395535286 /nfs/dbraw/zinc/53/52/86/1395535286.db2.gz OPLPVJWALJFEIF-UHFFFAOYSA-N 1 2 341.371 2.694 10 5 EFBELO Cc1c([N+](=O)[O-])cc(C(=O)Nc2ccn3cc[nH+]c3c2)cc1[N+](=O)[O-] ZINC001460685501 1396243450 /nfs/dbraw/zinc/24/34/50/1396243450.db2.gz BZDYVAKEVWIGME-UHFFFAOYSA-N 1 2 341.283 2.711 10 5 EFBELO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCCC[C@H]1c1ncccn1 ZINC001460716956 1396245327 /nfs/dbraw/zinc/24/53/27/1396245327.db2.gz MLQQTLZYFFCJDF-HNNXBMFYSA-N 1 2 328.372 2.991 10 5 EFBELO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCCC[C@H]1c1ncccn1 ZINC001460716956 1396245331 /nfs/dbraw/zinc/24/53/31/1396245331.db2.gz MLQQTLZYFFCJDF-HNNXBMFYSA-N 1 2 328.372 2.991 10 5 EFBELO Cc1ccccc1[C@H](CO)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001460778437 1396254513 /nfs/dbraw/zinc/25/45/13/1396254513.db2.gz NCNVWRFZOHFFCC-KRWDZBQOSA-N 1 2 345.355 2.977 10 5 EFBELO Cc1ccccc1[C@H](CO)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001460778437 1396254518 /nfs/dbraw/zinc/25/45/18/1396254518.db2.gz NCNVWRFZOHFFCC-KRWDZBQOSA-N 1 2 345.355 2.977 10 5 EFBELO C[C@H](CC(=O)Nc1nccc2c1cccc2[N+](=O)[O-])n1cc[nH+]c1 ZINC001461452029 1396381316 /nfs/dbraw/zinc/38/13/16/1396381316.db2.gz RVQGBRCUEGECNP-LLVKDONJSA-N 1 2 325.328 2.929 10 5 EFBELO O=C(N[C@@H](Cn1cc[nH+]c1)c1ccccc1)c1ccc([N+](=O)[O-])o1 ZINC001462464892 1396436403 /nfs/dbraw/zinc/43/64/03/1396436403.db2.gz WTHNGWBDGBDUMZ-ZDUSSCGKSA-N 1 2 326.312 2.556 10 5 EFBELO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001464557476 1396585983 /nfs/dbraw/zinc/58/59/83/1396585983.db2.gz DKYKVWOOCSISQY-CQSZACIVSA-N 1 2 335.404 2.685 10 5 EFBELO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001464557476 1396585991 /nfs/dbraw/zinc/58/59/91/1396585991.db2.gz DKYKVWOOCSISQY-CQSZACIVSA-N 1 2 335.404 2.685 10 5 EFBELO O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001464758615 1396604479 /nfs/dbraw/zinc/60/44/79/1396604479.db2.gz ZVIPYFHTBWGFBL-LBPRGKRZSA-N 1 2 348.790 2.920 10 5 EFBELO Cc1cc(C)c(CNC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)c[nH+]1 ZINC001469005513 1396997903 /nfs/dbraw/zinc/99/79/03/1396997903.db2.gz WBNGQILGJQRABA-UHFFFAOYSA-N 1 2 343.368 2.541 10 5 EFBELO O=C(Nc1nccc2cc[nH]c21)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001470205668 1397080512 /nfs/dbraw/zinc/08/05/12/1397080512.db2.gz HYYHGQZKCHOJMY-UHFFFAOYSA-N 1 2 348.322 2.909 10 5 EFBELO CSc1ccc(C(=O)NCc2[nH]c3c([nH+]2)CCCC3)cc1[N+](=O)[O-] ZINC001472063841 1397242090 /nfs/dbraw/zinc/24/20/90/1397242090.db2.gz DBRAUKVBXILBMX-UHFFFAOYSA-N 1 2 346.412 2.849 10 5 EFBELO COC(=O)C(C)(C)C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])CC(C)C ZINC001473754556 1397328484 /nfs/dbraw/zinc/32/84/84/1397328484.db2.gz OHQCMYZUXMJLAA-UHFFFAOYSA-N 1 2 338.404 2.958 10 5 EFBELO COC(=O)C(C)(C)C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])CC(C)C ZINC001473754556 1397328486 /nfs/dbraw/zinc/32/84/86/1397328486.db2.gz OHQCMYZUXMJLAA-UHFFFAOYSA-N 1 2 338.404 2.958 10 5 EFBELO C[N@@H+]1CCN(c2ccc([N+](=O)[O-])cc2Br)CC1(C)C ZINC001559224515 1415230885 /nfs/dbraw/zinc/23/08/85/1415230885.db2.gz CWWHUEASHQMGRW-UHFFFAOYSA-N 1 2 328.210 2.888 10 5 EFBELO C[N@H+]1CCN(c2ccc([N+](=O)[O-])cc2Br)CC1(C)C ZINC001559224515 1415230888 /nfs/dbraw/zinc/23/08/88/1415230888.db2.gz CWWHUEASHQMGRW-UHFFFAOYSA-N 1 2 328.210 2.888 10 5 EFBELO O=[N+]([O-])c1cccc(N2CC[NH+](CCSC(F)(F)F)CC2)c1 ZINC001559482532 1415248981 /nfs/dbraw/zinc/24/89/81/1415248981.db2.gz HJMWIMQVJARCNN-UHFFFAOYSA-N 1 2 335.351 2.970 10 5 EFBELO CC(C)[N@H+](Cc1cn(C)nc1[N+](=O)[O-])Cc1ccc([N+](=O)[O-])cc1 ZINC001559499257 1415249120 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EFBELO O=[N+]([O-])c1ccc(NC[C@H](c2cccc(F)c2)[NH+]2CCOCC2)cn1 ZINC000344423426 145445346 /nfs/dbraw/zinc/44/53/46/145445346.db2.gz RQDLDMWEPVPFNQ-MRXNPFEDSA-N 1 2 346.362 2.614 10 5 EFBELO Cc1ccc([N+](=O)[O-])c(C(=O)NCc2[nH+]ccn2CC(F)(F)F)c1 ZINC000359172457 148014759 /nfs/dbraw/zinc/01/47/59/148014759.db2.gz FNTANDGXFSHRMI-UHFFFAOYSA-N 1 2 342.277 2.592 10 5 EFBELO CCc1nnc(C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3OC)CC2)[nH]1 ZINC000373979362 151261386 /nfs/dbraw/zinc/26/13/86/151261386.db2.gz WRPUKCRUSRPPBM-UHFFFAOYSA-N 1 2 345.403 2.664 10 5 EFBELO CCc1n[nH]c(C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3OC)CC2)n1 ZINC000373979362 151261390 /nfs/dbraw/zinc/26/13/90/151261390.db2.gz WRPUKCRUSRPPBM-UHFFFAOYSA-N 1 2 345.403 2.664 10 5 EFBELO CCc1nc(C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3OC)CC2)n[nH]1 ZINC000373979362 151261393 /nfs/dbraw/zinc/26/13/93/151261393.db2.gz WRPUKCRUSRPPBM-UHFFFAOYSA-N 1 2 345.403 2.664 10 5 EFBELO Cc1cc(C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc([N+](=O)[O-])c1 ZINC000123510570 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CC[C@@H]1C[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)CCN1CC(F)F ZINC000153495409 293379023 /nfs/dbraw/zinc/37/90/23/293379023.db2.gz RJXOGQLKNWWBKZ-CYBMUJFWSA-N 1 2 343.374 2.765 10 5 EFBELO CC[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)CCN1CC(F)F ZINC000153623956 293384904 /nfs/dbraw/zinc/38/49/04/293384904.db2.gz BVWPEYOTYVHSCG-CYBMUJFWSA-N 1 2 343.374 2.765 10 5 EFBELO CC[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)CCN1CC(F)F ZINC000153623956 293384905 /nfs/dbraw/zinc/38/49/05/293384905.db2.gz BVWPEYOTYVHSCG-CYBMUJFWSA-N 1 2 343.374 2.765 10 5 EFBELO COc1ccc(CN2CC(C)(C)[C@@H]2c2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000294668602 295203888 /nfs/dbraw/zinc/20/38/88/295203888.db2.gz APTITOKTTYBPCQ-HNNXBMFYSA-N 1 2 330.388 2.920 10 5 EFBELO O=C(c1cc(C(F)(F)F)ccc1[N+](=O)[O-])N1CC[NH+](C2CC2)CC1 ZINC000294803425 295230541 /nfs/dbraw/zinc/23/05/41/295230541.db2.gz UOIVXZMENSWOII-UHFFFAOYSA-N 1 2 343.305 2.534 10 5 EFBELO C[C@@H]1[C@H](O)CCC[N@@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000295003897 295256582 /nfs/dbraw/zinc/25/65/82/295256582.db2.gz LPIKVZGCOZOIDD-NOZJJQNGSA-N 1 2 329.194 2.703 10 5 EFBELO C[C@@H]1[C@H](O)CCC[N@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000295003897 295256583 /nfs/dbraw/zinc/25/65/83/295256583.db2.gz LPIKVZGCOZOIDD-NOZJJQNGSA-N 1 2 329.194 2.703 10 5 EFBELO CN(C)c1ccc(Nc2ncc([N+](=O)[O-])cc2Br)c[nH+]1 ZINC000301522770 311142274 /nfs/dbraw/zinc/14/22/74/311142274.db2.gz HOFKNSVBXGJSFH-UHFFFAOYSA-N 1 2 338.165 2.957 10 5 EFBELO C[C@H](O)C[N@@H+]1CCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000302049031 311174790 /nfs/dbraw/zinc/17/47/90/311174790.db2.gz WMRZJLBWFGQVLX-UWVGGRQHSA-N 1 2 348.230 2.793 10 5 EFBELO C[C@H](O)C[N@H+]1CCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000302049031 311174792 /nfs/dbraw/zinc/17/47/92/311174792.db2.gz WMRZJLBWFGQVLX-UWVGGRQHSA-N 1 2 348.230 2.793 10 5 EFBELO O=[N+]([O-])c1ccc(F)cc1NCc1ccc[nH+]c1N1CCOCC1 ZINC000302790476 311201382 /nfs/dbraw/zinc/20/13/82/311201382.db2.gz GPQGSJQHXPACOH-UHFFFAOYSA-N 1 2 332.335 2.578 10 5 EFBELO Cc1cc([N+](=O)[O-])cc(Cl)c1N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000302816814 311202556 /nfs/dbraw/zinc/20/25/56/311202556.db2.gz INRNBMWDYMSTAV-IUODEOHRSA-N 1 2 339.823 2.714 10 5 EFBELO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000330854099 311338566 /nfs/dbraw/zinc/33/85/66/311338566.db2.gz MQIJRBIMQZCHHE-HIFRSBDPSA-N 1 2 349.431 2.571 10 5 EFBELO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000330854099 311338568 /nfs/dbraw/zinc/33/85/68/311338568.db2.gz MQIJRBIMQZCHHE-HIFRSBDPSA-N 1 2 349.431 2.571 10 5 EFBELO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000330854101 311338632 /nfs/dbraw/zinc/33/86/32/311338632.db2.gz MQIJRBIMQZCHHE-ZFWWWQNUSA-N 1 2 349.431 2.571 10 5 EFBELO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000330854101 311338634 /nfs/dbraw/zinc/33/86/34/311338634.db2.gz MQIJRBIMQZCHHE-ZFWWWQNUSA-N 1 2 349.431 2.571 10 5 EFBELO Cn1c[nH+]cc1Cc1noc([C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)n1 ZINC000351270536 311874506 /nfs/dbraw/zinc/87/45/06/311874506.db2.gz KYZGHOIGUOHVII-UONOGXRCSA-N 1 2 325.328 2.573 10 5 EFBELO CC(C)[C@H]1CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000447812813 312678848 /nfs/dbraw/zinc/67/88/48/312678848.db2.gz NXLFBKDDHJAYID-INIZCTEOSA-N 1 2 333.432 2.909 10 5 EFBELO Cc1[nH+]c2cc(NC(=O)c3cc([N+](=O)[O-])cnc3C)ccc2n1C ZINC000525725262 316230003 /nfs/dbraw/zinc/23/00/03/316230003.db2.gz IVDNMSUFCOWHMF-UHFFFAOYSA-N 1 2 325.328 2.746 10 5 EFBELO CNc1ccc(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000532345527 317389103 /nfs/dbraw/zinc/38/91/03/317389103.db2.gz AABSBYSQUVMENG-WBMJQRKESA-N 1 2 343.387 2.556 10 5 EFBELO CC[N@H+](CCCNC(=O)c1ccc([N+](=O)[O-])cn1)c1ccccc1 ZINC000532397420 317395753 /nfs/dbraw/zinc/39/57/53/317395753.db2.gz LFZWGJVXJOIAOP-UHFFFAOYSA-N 1 2 328.372 2.636 10 5 EFBELO CC[N@@H+](CCCNC(=O)c1ccc([N+](=O)[O-])cn1)c1ccccc1 ZINC000532397420 317395756 /nfs/dbraw/zinc/39/57/56/317395756.db2.gz LFZWGJVXJOIAOP-UHFFFAOYSA-N 1 2 328.372 2.636 10 5 EFBELO Cc1nn(C)c(N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000568444445 319283328 /nfs/dbraw/zinc/28/33/28/319283328.db2.gz GVMKWJGOKJNUPH-JOCQHMNTSA-N 1 2 330.392 2.867 10 5 EFBELO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1CS(=O)(=O)c2ccccc21 ZINC000573981872 319818364 /nfs/dbraw/zinc/81/83/64/319818364.db2.gz ZGLCKUOMYDWALI-GJZGRUSLSA-N 1 2 344.392 2.700 10 5 EFBELO CC[C@@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000185120119 323383905 /nfs/dbraw/zinc/38/39/05/323383905.db2.gz UVNBYIJCYJHJAV-CYBMUJFWSA-N 1 2 334.401 2.755 10 5 EFBELO C[C@@H](C(=O)N1CCC(c2c[nH+]c[nH]2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000580751532 324225812 /nfs/dbraw/zinc/22/58/12/324225812.db2.gz SKKNXWMIUVLJKR-GFCCVEGCSA-N 1 2 328.372 2.828 10 5 EFBELO C[C@@H](C(=O)N1CCC(c2c[nH]c[nH+]2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000580751532 324225813 /nfs/dbraw/zinc/22/58/13/324225813.db2.gz SKKNXWMIUVLJKR-GFCCVEGCSA-N 1 2 328.372 2.828 10 5 EFBELO Cc1cc(NC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)cc[nH+]1 ZINC000582510988 324609420 /nfs/dbraw/zinc/60/94/20/324609420.db2.gz JHTDJRBJGZZYIJ-UHFFFAOYSA-N 1 2 339.355 2.566 10 5 EFBELO Cn1cc[nH+]c1[C@@H](Nc1ccc2ncc([N+](=O)[O-])n2n1)c1ccccc1 ZINC000535759551 448503935 /nfs/dbraw/zinc/50/39/35/448503935.db2.gz GNMZCMQUASLFCU-INIZCTEOSA-N 1 2 349.354 2.573 10 5 EFBELO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000161214576 473218330 /nfs/dbraw/zinc/21/83/30/473218330.db2.gz ZZGRZUUZRKHDIB-OAHLLOKOSA-N 1 2 326.400 2.869 10 5 EFBELO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(Cc2ccncc2)CC1 ZINC000161214576 473218333 /nfs/dbraw/zinc/21/83/33/473218333.db2.gz ZZGRZUUZRKHDIB-OAHLLOKOSA-N 1 2 326.400 2.869 10 5 EFBELO CC(C)(C)c1ccc(C(=O)N2CC[NH+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000124788108 473302956 /nfs/dbraw/zinc/30/29/56/473302956.db2.gz FWYTXWQSWWGPFC-UHFFFAOYSA-N 1 2 331.416 2.813 10 5 EFBELO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000125208814 473374721 /nfs/dbraw/zinc/37/47/21/473374721.db2.gz OZYGMKWEDIBMOR-HNNXBMFYSA-N 1 2 326.400 2.869 10 5 EFBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(Cc2cccnc2)CC1 ZINC000125208814 473374730 /nfs/dbraw/zinc/37/47/30/473374730.db2.gz OZYGMKWEDIBMOR-HNNXBMFYSA-N 1 2 326.400 2.869 10 5 EFBELO Cc1ccc([C@@H](C)NC(=O)Nc2cc[nH+]cc2N(C)C)cc1[N+](=O)[O-] ZINC000619808008 479888365 /nfs/dbraw/zinc/88/83/65/479888365.db2.gz VVWICCKWPXRHBW-GFCCVEGCSA-N 1 2 343.387 2.669 10 5 EFBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CC(=O)NCc1ccccc1 ZINC000015548903 471907934 /nfs/dbraw/zinc/90/79/34/471907934.db2.gz AMXFOTMMKSHHIG-AWEZNQCLSA-N 1 2 327.384 2.904 10 5 EFBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CC(=O)NCc1ccccc1 ZINC000015548903 471907940 /nfs/dbraw/zinc/90/79/40/471907940.db2.gz AMXFOTMMKSHHIG-AWEZNQCLSA-N 1 2 327.384 2.904 10 5 EFBELO C[C@H](O)CNc1[nH+]c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 ZINC000036799168 472006007 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10 5 EFBELO COc1ccc(C[N@H+](C)Cc2cn3ccccc3n2)cc1[N+](=O)[O-] ZINC000069652890 472389597 /nfs/dbraw/zinc/38/95/97/472389597.db2.gz WYQYDQIJUIFNEF-UHFFFAOYSA-N 1 2 326.356 2.883 10 5 EFBELO COc1ccc(C[N@@H+](C)Cc2cn3ccccc3n2)cc1[N+](=O)[O-] ZINC000069652890 472389602 /nfs/dbraw/zinc/38/96/02/472389602.db2.gz WYQYDQIJUIFNEF-UHFFFAOYSA-N 1 2 326.356 2.883 10 5 EFBELO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCCn3ncnc32)cc1[N+](=O)[O-] ZINC000097032493 472415413 /nfs/dbraw/zinc/41/54/13/472415413.db2.gz KSHXQMHAOXFCEO-WCQYABFASA-N 1 2 331.376 2.771 10 5 EFBELO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCCn3ncnc32)cc1[N+](=O)[O-] ZINC000097032492 472415448 /nfs/dbraw/zinc/41/54/48/472415448.db2.gz KSHXQMHAOXFCEO-DGCLKSJQSA-N 1 2 331.376 2.771 10 5 EFBELO Cc1cc(C(=O)NC2CCN(c3cccc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000046619408 472578276 /nfs/dbraw/zinc/57/82/76/472578276.db2.gz VZVZDBDDPCDYCT-UHFFFAOYSA-N 1 2 340.383 2.697 10 5 EFBELO Cc1cn2cc(NC(=O)NCCc3cccc([N+](=O)[O-])c3)ccc2[nH+]1 ZINC000090478435 472624374 /nfs/dbraw/zinc/62/43/74/472624374.db2.gz IEQICAYOWQZRAW-UHFFFAOYSA-N 1 2 339.355 2.915 10 5 EFBELO Cc1cccc([C@H](CNc2ccncc2[N+](=O)[O-])[NH+]2CCOCC2)c1 ZINC000060375307 472650020 /nfs/dbraw/zinc/65/00/20/472650020.db2.gz CACGGQANDBRBFD-KRWDZBQOSA-N 1 2 342.399 2.784 10 5 EFBELO CC(C)Cn1cc[nH+]c1CNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000131394730 472668756 /nfs/dbraw/zinc/66/87/56/472668756.db2.gz CYYDFMMMODIBFG-UHFFFAOYSA-N 1 2 346.387 2.533 10 5 EFBELO C[C@@H](c1cccc([N+](=O)[O-])c1)S(=O)(=O)Cc1cn2ccccc2[nH+]1 ZINC000105714558 472769851 /nfs/dbraw/zinc/76/98/51/472769851.db2.gz APNUFBZPABDNPM-LBPRGKRZSA-N 1 2 345.380 2.919 10 5 EFBELO COC(=O)c1ccc(C[N@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000091829152 472813809 /nfs/dbraw/zinc/81/38/09/472813809.db2.gz FMLRORHLWCRFJL-UHFFFAOYSA-N 1 2 330.340 2.719 10 5 EFBELO COC(=O)c1ccc(C[N@@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000091829152 472813814 /nfs/dbraw/zinc/81/38/14/472813814.db2.gz FMLRORHLWCRFJL-UHFFFAOYSA-N 1 2 330.340 2.719 10 5 EFBELO Cc1ccc([C@H]2C[N@H+](CCOc3ccc([N+](=O)[O-])cc3)CCO2)o1 ZINC000158595298 472950276 /nfs/dbraw/zinc/95/02/76/472950276.db2.gz IKGQBLFGAWBNNK-QGZVFWFLSA-N 1 2 332.356 2.949 10 5 EFBELO Cc1ccc([C@H]2C[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)CCO2)o1 ZINC000158595298 472950280 /nfs/dbraw/zinc/95/02/80/472950280.db2.gz IKGQBLFGAWBNNK-QGZVFWFLSA-N 1 2 332.356 2.949 10 5 EFBELO C[C@H](CNC(=O)c1cc2ccccc2c2cccnc12)[NH+]1CCOCC1 ZINC000049677663 472958306 /nfs/dbraw/zinc/95/83/06/472958306.db2.gz GSQPNHIKHUSBIY-OAHLLOKOSA-N 1 2 349.434 2.839 10 5 EFBELO CC(C)c1ccc(C[N@@H+]2CCO[C@H](Cn3cccn3)C2)cc1[N+](=O)[O-] ZINC000122249234 472993484 /nfs/dbraw/zinc/99/34/84/472993484.db2.gz ZPBLYYNHUDGKRX-INIZCTEOSA-N 1 2 344.415 2.816 10 5 EFBELO CC(C)c1ccc(C[N@H+]2CCO[C@H](Cn3cccn3)C2)cc1[N+](=O)[O-] ZINC000122249234 472993487 /nfs/dbraw/zinc/99/34/87/472993487.db2.gz ZPBLYYNHUDGKRX-INIZCTEOSA-N 1 2 344.415 2.816 10 5 EFBELO Cc1cc(CN2CC[NH+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)no1 ZINC000066696260 473139824 /nfs/dbraw/zinc/13/98/24/473139824.db2.gz KCCGRKDCQQKPIE-AWEZNQCLSA-N 1 2 330.388 2.770 10 5 EFBELO C[C@H]1CN(c2ccc(CNc3ccncc3[N+](=O)[O-])c[nH+]2)C[C@H](C)O1 ZINC000066809005 473156367 /nfs/dbraw/zinc/15/63/67/473156367.db2.gz XSYAEQVJKLAAAO-STQMWFEESA-N 1 2 343.387 2.611 10 5 EFBELO Cc1ccc([C@H](CNc2ccncc2[N+](=O)[O-])[NH+]2CCOCC2)cc1 ZINC000066809976 473156671 /nfs/dbraw/zinc/15/66/71/473156671.db2.gz LSILPRLORFKYGU-KRWDZBQOSA-N 1 2 342.399 2.784 10 5 EFBELO CC(C)c1[nH+]c2c(n1C)CCN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000137052728 473192422 /nfs/dbraw/zinc/19/24/22/473192422.db2.gz RZZXJKIMOPBMCT-QGZVFWFLSA-N 1 2 344.415 2.543 10 5 EFBELO CC(C)c1nc2c(n1C)CC[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000137052728 473192426 /nfs/dbraw/zinc/19/24/26/473192426.db2.gz RZZXJKIMOPBMCT-QGZVFWFLSA-N 1 2 344.415 2.543 10 5 EFBELO CC(C)c1nc2c(n1C)CC[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000137052728 473192430 /nfs/dbraw/zinc/19/24/30/473192430.db2.gz RZZXJKIMOPBMCT-QGZVFWFLSA-N 1 2 344.415 2.543 10 5 EFBELO Cc1ccc(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000126059098 473482623 /nfs/dbraw/zinc/48/26/23/473482623.db2.gz BVHRCMIBPLKOSS-CJNGLKHVSA-N 1 2 328.372 2.823 10 5 EFBELO Cc1ccc(C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000126058463 473483541 /nfs/dbraw/zinc/48/35/41/473483541.db2.gz BVHRCMIBPLKOSS-XJKSGUPXSA-N 1 2 328.372 2.823 10 5 EFBELO COc1ccnc(NC2CC[NH+](Cc3csc([N+](=O)[O-])c3)CC2)n1 ZINC000191693354 473569502 /nfs/dbraw/zinc/56/95/02/473569502.db2.gz TVQPYUXEKKXHDN-UHFFFAOYSA-N 1 2 349.416 2.531 10 5 EFBELO O=C(C[N@@H+]1CCC[C@@H]1c1ccco1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000116290957 473646829 /nfs/dbraw/zinc/64/68/29/473646829.db2.gz DJTBWYRILUPPHD-MRXNPFEDSA-N 1 2 341.367 2.914 10 5 EFBELO O=C(C[N@H+]1CCC[C@@H]1c1ccco1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000116290957 473646835 /nfs/dbraw/zinc/64/68/35/473646835.db2.gz DJTBWYRILUPPHD-MRXNPFEDSA-N 1 2 341.367 2.914 10 5 EFBELO CN(C(=O)C[N@@H+]1CCC[C@@H]1c1ccco1)c1ccc([N+](=O)[O-])cc1 ZINC000116296597 473647133 /nfs/dbraw/zinc/64/71/33/473647133.db2.gz DLFSYLSLTZOAFO-OAHLLOKOSA-N 1 2 329.356 2.988 10 5 EFBELO CN(C(=O)C[N@H+]1CCC[C@@H]1c1ccco1)c1ccc([N+](=O)[O-])cc1 ZINC000116296597 473647139 /nfs/dbraw/zinc/64/71/39/473647139.db2.gz DLFSYLSLTZOAFO-OAHLLOKOSA-N 1 2 329.356 2.988 10 5 EFBELO O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CC[NH+](C2CC2)CC1 ZINC000127927982 473664378 /nfs/dbraw/zinc/66/43/78/473664378.db2.gz JUKMHUYPNVRKSY-UHFFFAOYSA-N 1 2 343.305 2.534 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186406999 473669590 /nfs/dbraw/zinc/66/95/90/473669590.db2.gz DKTZRSHLPMBGAG-UHFFFAOYSA-N 1 2 340.383 2.651 10 5 EFBELO Cc1cc(N2CC[NH+](Cc3cc([N+](=O)[O-])ccc3Cl)CC2)n[nH]1 ZINC000187238678 473844068 /nfs/dbraw/zinc/84/40/68/473844068.db2.gz OPKBKSKTWLNICM-UHFFFAOYSA-N 1 2 335.795 2.602 10 5 EFBELO O=[N+]([O-])c1cc(-c2nc(C[C@@H]3CCCO3)no2)ccc1-n1cc[nH+]c1 ZINC000264607872 474057685 /nfs/dbraw/zinc/05/76/85/474057685.db2.gz NEQLLRHLCDVQQV-LBPRGKRZSA-N 1 2 341.327 2.552 10 5 EFBELO O=[N+]([O-])c1ccc(N2CCN(c3cc[nH+]c(C4CC4)n3)CC2)cc1 ZINC000264678881 474086017 /nfs/dbraw/zinc/08/60/17/474086017.db2.gz WKILPSXEOCUXFO-UHFFFAOYSA-N 1 2 325.372 2.589 10 5 EFBELO Cc1cc(N2CCC(=O)[C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000275312580 474141360 /nfs/dbraw/zinc/14/13/60/474141360.db2.gz CEXXYVSABMONMF-NSHDSACASA-N 1 2 326.356 2.776 10 5 EFBELO COc1ncnc2c1C[N@@H+]([C@H](C)c1cc([N+](=O)[O-])ccc1C)CC2 ZINC000182727544 474243021 /nfs/dbraw/zinc/24/30/21/474243021.db2.gz GJPBWLICZYMMMZ-GFCCVEGCSA-N 1 2 328.372 2.821 10 5 EFBELO COc1ncnc2c1C[N@H+]([C@H](C)c1cc([N+](=O)[O-])ccc1C)CC2 ZINC000182727544 474243023 /nfs/dbraw/zinc/24/30/23/474243023.db2.gz GJPBWLICZYMMMZ-GFCCVEGCSA-N 1 2 328.372 2.821 10 5 EFBELO COc1ncnc2c1C[N@@H+]([C@@H](C)c1cc([N+](=O)[O-])ccc1C)CC2 ZINC000182727566 474243485 /nfs/dbraw/zinc/24/34/85/474243485.db2.gz GJPBWLICZYMMMZ-LBPRGKRZSA-N 1 2 328.372 2.821 10 5 EFBELO COc1ncnc2c1C[N@H+]([C@@H](C)c1cc([N+](=O)[O-])ccc1C)CC2 ZINC000182727566 474243490 /nfs/dbraw/zinc/24/34/90/474243490.db2.gz GJPBWLICZYMMMZ-LBPRGKRZSA-N 1 2 328.372 2.821 10 5 EFBELO Cc1nc(N2CCN(Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)cc[nH+]1 ZINC000183789020 474430459 /nfs/dbraw/zinc/43/04/59/474430459.db2.gz KFOZCDKRHGQBKE-UHFFFAOYSA-N 1 2 347.806 2.669 10 5 EFBELO Cc1c(NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cccc1[N+](=O)[O-] ZINC000176336120 474444207 /nfs/dbraw/zinc/44/42/07/474444207.db2.gz UBJMCPAQFMKQJZ-CYBMUJFWSA-N 1 2 329.360 2.796 10 5 EFBELO O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000183912422 474445397 /nfs/dbraw/zinc/44/53/97/474445397.db2.gz FQLMFLILPGEXDH-HNNXBMFYSA-N 1 2 341.367 2.904 10 5 EFBELO O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000183912422 474445402 /nfs/dbraw/zinc/44/54/02/474445402.db2.gz FQLMFLILPGEXDH-HNNXBMFYSA-N 1 2 341.367 2.904 10 5 EFBELO C[C@@H]([NH2+]Cc1c(Br)cnn1C)c1cccc([N+](=O)[O-])c1 ZINC000278397015 474632528 /nfs/dbraw/zinc/63/25/28/474632528.db2.gz NFHMQMUWZHAPEO-SECBINFHSA-N 1 2 339.193 2.942 10 5 EFBELO C[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1nnnn1-c1ccccc1 ZINC000340918220 474778091 /nfs/dbraw/zinc/77/80/91/474778091.db2.gz LVAIMSFASBRTEH-STQMWFEESA-N 1 2 338.371 2.982 10 5 EFBELO CC[C@@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@@H](CC)CN1C(C)=O ZINC000339009777 474830883 /nfs/dbraw/zinc/83/08/83/474830883.db2.gz JHGHLTVLESNPIM-LSDHHAIUSA-N 1 2 335.404 2.522 10 5 EFBELO CC[C@@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@@H](CC)CN1C(C)=O ZINC000339009777 474830891 /nfs/dbraw/zinc/83/08/91/474830891.db2.gz JHGHLTVLESNPIM-LSDHHAIUSA-N 1 2 335.404 2.522 10 5 EFBELO C[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccc(-n2cncn2)cc1 ZINC000339063809 474892894 /nfs/dbraw/zinc/89/28/94/474892894.db2.gz GJVFXAHTZLHFAG-LBPRGKRZSA-N 1 2 339.355 2.732 10 5 EFBELO Cc1cc(N2CC[C@@H](CO)C[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000341036107 474902378 /nfs/dbraw/zinc/90/23/78/474902378.db2.gz CHUCTWROXIEZDW-ZIAGYGMSSA-N 1 2 342.399 2.957 10 5 EFBELO C[C@@H]1C[N@H+](CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)[C@@H]1C ZINC000293305102 474917901 /nfs/dbraw/zinc/91/79/01/474917901.db2.gz FCSHJOPFFQWQGW-GHMZBOCLSA-N 1 2 346.412 2.997 10 5 EFBELO C[C@@H]1C[N@@H+](CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)[C@@H]1C ZINC000293305102 474917904 /nfs/dbraw/zinc/91/79/04/474917904.db2.gz FCSHJOPFFQWQGW-GHMZBOCLSA-N 1 2 346.412 2.997 10 5 EFBELO COc1cc(C[N@H+]2CC=C(c3ccnn3C)CC2)c([N+](=O)[O-])cc1F ZINC000285241075 474941171 /nfs/dbraw/zinc/94/11/71/474941171.db2.gz BQDXLCVMIDNVRR-UHFFFAOYSA-N 1 2 346.362 2.765 10 5 EFBELO COc1cc(C[N@@H+]2CC=C(c3ccnn3C)CC2)c([N+](=O)[O-])cc1F ZINC000285241075 474941178 /nfs/dbraw/zinc/94/11/78/474941178.db2.gz BQDXLCVMIDNVRR-UHFFFAOYSA-N 1 2 346.362 2.765 10 5 EFBELO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000292300122 474948375 /nfs/dbraw/zinc/94/83/75/474948375.db2.gz VSRUCDVENNGSJH-CYBMUJFWSA-N 1 2 343.383 2.551 10 5 EFBELO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000292300122 474948381 /nfs/dbraw/zinc/94/83/81/474948381.db2.gz VSRUCDVENNGSJH-CYBMUJFWSA-N 1 2 343.383 2.551 10 5 EFBELO Cc1cn2cc(NC(=O)CCOc3ccccc3[N+](=O)[O-])ccc2[nH+]1 ZINC000339267585 475102365 /nfs/dbraw/zinc/10/23/65/475102365.db2.gz CYSOYZUZKGMQLR-UHFFFAOYSA-N 1 2 340.339 2.959 10 5 EFBELO Cc1ccc([C@H](C)NC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)cc1[N+](=O)[O-] ZINC000357954875 475289775 /nfs/dbraw/zinc/28/97/75/475289775.db2.gz HYBUPJGHCLQDRA-AAEUAGOBSA-N 1 2 343.387 2.544 10 5 EFBELO Cc1ccc([C@H](C)NC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)cc1[N+](=O)[O-] ZINC000357954875 475289778 /nfs/dbraw/zinc/28/97/78/475289778.db2.gz HYBUPJGHCLQDRA-AAEUAGOBSA-N 1 2 343.387 2.544 10 5 EFBELO CC[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(F)(F)F ZINC000348095885 475384161 /nfs/dbraw/zinc/38/41/61/475384161.db2.gz QVJHDWBKJSNLJS-LBPRGKRZSA-N 1 2 342.277 2.851 10 5 EFBELO C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000348237210 475512190 /nfs/dbraw/zinc/51/21/90/475512190.db2.gz YKXYGMVLBONGIV-GXFFZTMASA-N 1 2 345.321 2.830 10 5 EFBELO C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000348237210 475512199 /nfs/dbraw/zinc/51/21/99/475512199.db2.gz YKXYGMVLBONGIV-GXFFZTMASA-N 1 2 345.321 2.830 10 5 EFBELO COc1cc(C[N@H+](CCO)Cc2ccc(C)o2)c([N+](=O)[O-])cc1F ZINC000361532180 475525036 /nfs/dbraw/zinc/52/50/36/475525036.db2.gz VYTGDICZKIDOJQ-UHFFFAOYSA-N 1 2 338.335 2.638 10 5 EFBELO COc1cc(C[N@@H+](CCO)Cc2ccc(C)o2)c([N+](=O)[O-])cc1F ZINC000361532180 475525042 /nfs/dbraw/zinc/52/50/42/475525042.db2.gz VYTGDICZKIDOJQ-UHFFFAOYSA-N 1 2 338.335 2.638 10 5 EFBELO Cc1nccc(N2CC[NH+](C/C=C\c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000355365699 475871682 /nfs/dbraw/zinc/87/16/82/475871682.db2.gz KFHJARHIGOHTNA-XQRVVYSFSA-N 1 2 339.399 2.529 10 5 EFBELO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000349873715 476012511 /nfs/dbraw/zinc/01/25/11/476012511.db2.gz KVANMXBIAXIOPR-ZDUSSCGKSA-N 1 2 335.404 2.685 10 5 EFBELO C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000349873715 476012516 /nfs/dbraw/zinc/01/25/16/476012516.db2.gz KVANMXBIAXIOPR-ZDUSSCGKSA-N 1 2 335.404 2.685 10 5 EFBELO C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ncc(Br)cn1 ZINC000353896616 476316925 /nfs/dbraw/zinc/31/69/25/476316925.db2.gz HIJLKHMJJAFLHB-SECBINFHSA-N 1 2 337.177 2.998 10 5 EFBELO O=[N+]([O-])c1ccc(-c2nc(C[C@H]3CCCO3)no2)cc1-n1cc[nH+]c1 ZINC000351056737 476327805 /nfs/dbraw/zinc/32/78/05/476327805.db2.gz XOVQDOGXTGRMJR-GFCCVEGCSA-N 1 2 341.327 2.552 10 5 EFBELO Cc1cc(CC[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)on1 ZINC000353999174 476352788 /nfs/dbraw/zinc/35/27/88/476352788.db2.gz YYMIQMUZUGLMDQ-INIZCTEOSA-N 1 2 341.371 2.546 10 5 EFBELO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000373734116 476423047 /nfs/dbraw/zinc/42/30/47/476423047.db2.gz ARGCDEBIIBJSDP-HNNXBMFYSA-N 1 2 343.387 2.882 10 5 EFBELO C[C@H](NC(=O)c1cc(-n2cc[nH+]c2)ccn1)c1cccc([N+](=O)[O-])c1 ZINC000352225422 476564986 /nfs/dbraw/zinc/56/49/86/476564986.db2.gz LRMGYWNJONSHAT-LBPRGKRZSA-N 1 2 337.339 2.667 10 5 EFBELO COc1cc(NCc2cccnc2-n2cc[nH+]c2)c([N+](=O)[O-])cc1F ZINC000378056085 476680271 /nfs/dbraw/zinc/68/02/71/476680271.db2.gz OUMWJJFGLNDCLR-UHFFFAOYSA-N 1 2 343.318 2.935 10 5 EFBELO COc1cc(NCc2cccnc2-n2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000378064580 476681546 /nfs/dbraw/zinc/68/15/46/476681546.db2.gz YLVYXWUZDNLHCH-UHFFFAOYSA-N 1 2 325.328 2.796 10 5 EFBELO C[C@@H](NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000365925864 476767293 /nfs/dbraw/zinc/76/72/93/476767293.db2.gz ZEAIPAUEQXZHDY-GFCCVEGCSA-N 1 2 343.387 2.968 10 5 EFBELO C[C@@H](NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000365925864 476767300 /nfs/dbraw/zinc/76/73/00/476767300.db2.gz ZEAIPAUEQXZHDY-GFCCVEGCSA-N 1 2 343.387 2.968 10 5 EFBELO Cc1nccnc1N1CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000370536016 476860609 /nfs/dbraw/zinc/86/06/09/476860609.db2.gz OKJYFWMUNPUXTN-CQSZACIVSA-N 1 2 327.388 2.576 10 5 EFBELO C[C@]1(F)CCCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000452211231 476884265 /nfs/dbraw/zinc/88/42/65/476884265.db2.gz YOIKWXZUKFZHJK-INIZCTEOSA-N 1 2 332.335 2.745 10 5 EFBELO C[N@@H+]1CCO[C@@H](CSc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000400821605 476895436 /nfs/dbraw/zinc/89/54/36/476895436.db2.gz QFJVPHGYVADEDR-SNVBAGLBSA-N 1 2 347.234 2.780 10 5 EFBELO C[N@H+]1CCO[C@@H](CSc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000400821605 476895438 /nfs/dbraw/zinc/89/54/38/476895438.db2.gz QFJVPHGYVADEDR-SNVBAGLBSA-N 1 2 347.234 2.780 10 5 EFBELO O=[N+]([O-])c1cccnc1N1CC[NH+](Cc2ccc3ccccc3n2)CC1 ZINC000453574970 477240760 /nfs/dbraw/zinc/24/07/60/477240760.db2.gz JQWCHRUOLSSULT-UHFFFAOYSA-N 1 2 349.394 2.860 10 5 EFBELO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000371356177 477262521 /nfs/dbraw/zinc/26/25/21/477262521.db2.gz VYXCWCOTTXHHDH-JTQLQIEISA-N 1 2 346.412 2.717 10 5 EFBELO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000371356177 477262527 /nfs/dbraw/zinc/26/25/27/477262527.db2.gz VYXCWCOTTXHHDH-JTQLQIEISA-N 1 2 346.412 2.717 10 5 EFBELO CS(=O)(=O)CC[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000367824142 477706388 /nfs/dbraw/zinc/70/63/88/477706388.db2.gz QJEOUQFNITVSSP-ZDUSSCGKSA-N 1 2 344.408 2.523 10 5 EFBELO CS(=O)(=O)CC[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000367824142 477706392 /nfs/dbraw/zinc/70/63/92/477706392.db2.gz QJEOUQFNITVSSP-ZDUSSCGKSA-N 1 2 344.408 2.523 10 5 EFBELO CS(=O)(=O)CC[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000428838469 477992919 /nfs/dbraw/zinc/99/29/19/477992919.db2.gz YIHDKFPZRBRAKB-ZDUSSCGKSA-N 1 2 344.408 2.523 10 5 EFBELO CS(=O)(=O)CC[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000428838469 477992927 /nfs/dbraw/zinc/99/29/27/477992927.db2.gz YIHDKFPZRBRAKB-ZDUSSCGKSA-N 1 2 344.408 2.523 10 5 EFBELO C[C@@H]1CCC[C@H](NC(=O)C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)[C@H]1C ZINC000534514314 478154684 /nfs/dbraw/zinc/15/46/84/478154684.db2.gz BYQPLVSXEXBCIG-KEYYUXOJSA-N 1 2 345.443 2.894 10 5 EFBELO C[C@@H]1CCC[C@H](NC(=O)C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)[C@H]1C ZINC000534514314 478154691 /nfs/dbraw/zinc/15/46/91/478154691.db2.gz BYQPLVSXEXBCIG-KEYYUXOJSA-N 1 2 345.443 2.894 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCOCC12CCCCC2 ZINC000451811964 478213286 /nfs/dbraw/zinc/21/32/86/478213286.db2.gz GFMNPSCVJACYNJ-UHFFFAOYSA-N 1 2 347.415 2.877 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCOCC12CCCCC2 ZINC000451811964 478213289 /nfs/dbraw/zinc/21/32/89/478213289.db2.gz GFMNPSCVJACYNJ-UHFFFAOYSA-N 1 2 347.415 2.877 10 5 EFBELO C[N@@H+]1CCO[C@H](CSc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000520223555 478284605 /nfs/dbraw/zinc/28/46/05/478284605.db2.gz ZDAKUSBNFJZQAF-JTQLQIEISA-N 1 2 347.234 2.780 10 5 EFBELO C[N@H+]1CCO[C@H](CSc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000520223555 478284620 /nfs/dbraw/zinc/28/46/20/478284620.db2.gz ZDAKUSBNFJZQAF-JTQLQIEISA-N 1 2 347.234 2.780 10 5 EFBELO CC[C@H](NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1)c1cccc([N+](=O)[O-])c1 ZINC000597349340 478306488 /nfs/dbraw/zinc/30/64/88/478306488.db2.gz OHDVHQQBZXEHAW-OCCSQVGLSA-N 1 2 328.372 2.690 10 5 EFBELO CC[C@H](NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1)c1cccc([N+](=O)[O-])c1 ZINC000597349340 478306495 /nfs/dbraw/zinc/30/64/95/478306495.db2.gz OHDVHQQBZXEHAW-OCCSQVGLSA-N 1 2 328.372 2.690 10 5 EFBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@]2(CCS(=O)(=O)C2)C1 ZINC000590759376 478324277 /nfs/dbraw/zinc/32/42/77/478324277.db2.gz RZZPFWNINHZVMW-XJKSGUPXSA-N 1 2 338.429 2.557 10 5 EFBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@]2(CCS(=O)(=O)C2)C1 ZINC000590759376 478324285 /nfs/dbraw/zinc/32/42/85/478324285.db2.gz RZZPFWNINHZVMW-XJKSGUPXSA-N 1 2 338.429 2.557 10 5 EFBELO COc1cc(NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000594592801 478454547 /nfs/dbraw/zinc/45/45/47/478454547.db2.gz XPHSCSYENVLRDP-UTUOFQBUSA-N 1 2 341.383 2.652 10 5 EFBELO COc1cc(NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000594592801 478454555 /nfs/dbraw/zinc/45/45/55/478454555.db2.gz XPHSCSYENVLRDP-UTUOFQBUSA-N 1 2 341.383 2.652 10 5 EFBELO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000597728287 478483650 /nfs/dbraw/zinc/48/36/50/478483650.db2.gz SQSMWHLWKLQKTO-LLVKDONJSA-N 1 2 343.387 2.882 10 5 EFBELO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000597728287 478483656 /nfs/dbraw/zinc/48/36/56/478483656.db2.gz SQSMWHLWKLQKTO-LLVKDONJSA-N 1 2 343.387 2.882 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000597940306 478588090 /nfs/dbraw/zinc/58/80/90/478588090.db2.gz IFUGNRFEBMNIEF-UHFFFAOYSA-N 1 2 340.383 2.828 10 5 EFBELO CCOc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H](C)n3ncnc32)cc1[N+](=O)[O-] ZINC000595074019 478650665 /nfs/dbraw/zinc/65/06/65/478650665.db2.gz SNFXEELNEDDSJS-NTZNESFSSA-N 1 2 331.376 2.942 10 5 EFBELO COc1ccnc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)c1F ZINC000595079058 478652321 /nfs/dbraw/zinc/65/23/21/478652321.db2.gz CPZYTDYFRTYHBI-JTQLQIEISA-N 1 2 335.335 2.997 10 5 EFBELO C[C@@H]1CCC[C@@H](C[NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)O1 ZINC000595080069 478653392 /nfs/dbraw/zinc/65/33/92/478653392.db2.gz NRXLLRFDXDWYPJ-COXVUDFISA-N 1 2 344.415 2.965 10 5 EFBELO C[C@H](N[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)c1[nH+]ccn1C ZINC000595109125 478664157 /nfs/dbraw/zinc/66/41/57/478664157.db2.gz UJYIBPXLKKRBEV-WFASDCNBSA-N 1 2 340.387 2.502 10 5 EFBELO Cc1cc(C)c([N+](=O)[O-])c(N2CC[NH+](Cc3ccsc3)CC2)n1 ZINC000542863590 478702022 /nfs/dbraw/zinc/70/20/22/478702022.db2.gz VHWDTALTHBIPJN-UHFFFAOYSA-N 1 2 332.429 2.990 10 5 EFBELO C[C@H](CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)Cn1cc[nH+]c1 ZINC000601210176 478725503 /nfs/dbraw/zinc/72/55/03/478725503.db2.gz MPJHHVMOSBYPFD-CQSZACIVSA-N 1 2 342.399 2.666 10 5 EFBELO C[C@@H]1C[C@H]([NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)[C@H](C)O1 ZINC000601299976 478773562 /nfs/dbraw/zinc/77/35/62/478773562.db2.gz WRSALZHCJGDHGP-KNPMLCFXSA-N 1 2 330.388 2.573 10 5 EFBELO Cn1c[nH+]cc1CN(Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592130737 478788865 /nfs/dbraw/zinc/78/88/65/478788865.db2.gz LKYAEQRBYFTLGV-JCNLHEQBSA-N 1 2 344.415 2.634 10 5 EFBELO COC(=O)c1cccc2c1C[N@H+](Cc1ccccc1[N+](=O)[O-])CC2 ZINC000592164047 478807610 /nfs/dbraw/zinc/80/76/10/478807610.db2.gz XZBAILMZSCIISV-UHFFFAOYSA-N 1 2 326.352 2.940 10 5 EFBELO COC(=O)c1cccc2c1C[N@@H+](Cc1ccccc1[N+](=O)[O-])CC2 ZINC000592164047 478807617 /nfs/dbraw/zinc/80/76/17/478807617.db2.gz XZBAILMZSCIISV-UHFFFAOYSA-N 1 2 326.352 2.940 10 5 EFBELO O=[N+]([O-])c1cc2c(nc1N1CC[NH+](Cc3ccco3)CC1)CCCC2 ZINC000564892904 478851011 /nfs/dbraw/zinc/85/10/11/478851011.db2.gz OOHMFIRQLICXOE-UHFFFAOYSA-N 1 2 342.399 2.784 10 5 EFBELO Cc1cccn2cc(Cc3noc(-c4ccc([N+](=O)[O-])cn4)n3)[nH+]c12 ZINC000544599775 478851167 /nfs/dbraw/zinc/85/11/67/478851167.db2.gz XXSQAAUNAPRJGP-UHFFFAOYSA-N 1 2 336.311 2.587 10 5 EFBELO Cn1cc([N+](=O)[O-])cc1-c1nc(-c2cccc(-n3cc[nH+]c3)c2)no1 ZINC000544799038 478867251 /nfs/dbraw/zinc/86/72/51/478867251.db2.gz DVPILAWJYCOYDU-UHFFFAOYSA-N 1 2 336.311 2.836 10 5 EFBELO Cc1sc(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000598510310 478871004 /nfs/dbraw/zinc/87/10/04/478871004.db2.gz OXNLTJKKSGCVAC-CQSZACIVSA-N 1 2 345.424 2.969 10 5 EFBELO Cc1sc(C(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000598510310 478871007 /nfs/dbraw/zinc/87/10/07/478871007.db2.gz OXNLTJKKSGCVAC-CQSZACIVSA-N 1 2 345.424 2.969 10 5 EFBELO C[C@]1(C2CC2)C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CCO1 ZINC000595618985 478893078 /nfs/dbraw/zinc/89/30/78/478893078.db2.gz XLKAFQOSEPYAAQ-QGZVFWFLSA-N 1 2 344.371 2.646 10 5 EFBELO C[C@]1(C2CC2)C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CCO1 ZINC000595618985 478893082 /nfs/dbraw/zinc/89/30/82/478893082.db2.gz XLKAFQOSEPYAAQ-QGZVFWFLSA-N 1 2 344.371 2.646 10 5 EFBELO C[C@]1(C2CC2)C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCO1 ZINC000595626636 478899286 /nfs/dbraw/zinc/89/92/86/478899286.db2.gz TYJHQSMOZPYVJC-QGZVFWFLSA-N 1 2 344.371 2.646 10 5 EFBELO C[C@]1(C2CC2)C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCO1 ZINC000595626636 478899292 /nfs/dbraw/zinc/89/92/92/478899292.db2.gz TYJHQSMOZPYVJC-QGZVFWFLSA-N 1 2 344.371 2.646 10 5 EFBELO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCO[C@@](C)(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000595627437 478899453 /nfs/dbraw/zinc/89/94/53/478899453.db2.gz ZCZMYDYJKKBTMQ-FZKQIMNGSA-N 1 2 347.415 2.731 10 5 EFBELO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCO[C@@](C)(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000595627437 478899460 /nfs/dbraw/zinc/89/94/60/478899460.db2.gz ZCZMYDYJKKBTMQ-FZKQIMNGSA-N 1 2 347.415 2.731 10 5 EFBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2C[C@@H](C)OC3(CCCC3)C2)c1 ZINC000592528689 478934839 /nfs/dbraw/zinc/93/48/39/478934839.db2.gz ARUIRYBDTOZKAC-CYBMUJFWSA-N 1 2 348.399 2.915 10 5 EFBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@@H](C)OC3(CCCC3)C2)c1 ZINC000592528689 478934843 /nfs/dbraw/zinc/93/48/43/478934843.db2.gz ARUIRYBDTOZKAC-CYBMUJFWSA-N 1 2 348.399 2.915 10 5 EFBELO Cc1c(C[NH2+][C@@H]2CS(=O)(=O)Cc3ccccc32)cccc1[N+](=O)[O-] ZINC000598643602 478940188 /nfs/dbraw/zinc/94/01/88/478940188.db2.gz FINFGUKSNLFSKC-MRXNPFEDSA-N 1 2 346.408 2.663 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CS(=O)(=O)Cc2ccccc21 ZINC000598677652 478965065 /nfs/dbraw/zinc/96/50/65/478965065.db2.gz QUMKVPDKAHMEIL-QGZVFWFLSA-N 1 2 346.408 2.663 10 5 EFBELO CC(C)NC(=O)[C@@H]1CCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000595851843 479033379 /nfs/dbraw/zinc/03/33/79/479033379.db2.gz VMCLEOVNDWWXAP-LLVKDONJSA-N 1 2 341.358 2.610 10 5 EFBELO CC(C)NC(=O)[C@@H]1CCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000595851843 479033390 /nfs/dbraw/zinc/03/33/90/479033390.db2.gz VMCLEOVNDWWXAP-LLVKDONJSA-N 1 2 341.358 2.610 10 5 EFBELO CC(C)NC(=O)[C@H]1CCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000595851904 479033818 /nfs/dbraw/zinc/03/38/18/479033818.db2.gz VMCLEOVNDWWXAP-NSHDSACASA-N 1 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COc1cc(C[N@@H+]2C[C@H](C)O[C@](C)(C(F)F)C2)ccc1[N+](=O)[O-] ZINC000595921935 479075645 /nfs/dbraw/zinc/07/56/45/479075645.db2.gz ZKELOABQLJSCIX-BONVTDFDSA-N 1 2 330.331 2.848 10 5 EFBELO COc1cc(C[N@H+]2C[C@H](C)O[C@](C)(C(F)F)C2)ccc1[N+](=O)[O-] ZINC000595921935 479075650 /nfs/dbraw/zinc/07/56/50/479075650.db2.gz ZKELOABQLJSCIX-BONVTDFDSA-N 1 2 330.331 2.848 10 5 EFBELO Cn1cnnc1C1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599020608 479128954 /nfs/dbraw/zinc/12/89/54/479128954.db2.gz UFFCVWPBEQYGCB-UHFFFAOYSA-N 1 2 338.371 2.656 10 5 EFBELO COC(=O)CC1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599028163 479132720 /nfs/dbraw/zinc/13/27/20/479132720.db2.gz WDXUQLAQIVPOAE-UHFFFAOYSA-N 1 2 329.356 2.923 10 5 EFBELO CC(=O)N(C)C1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599028733 479132829 /nfs/dbraw/zinc/13/28/29/479132829.db2.gz WUMRNWXMPUDBSB-UHFFFAOYSA-N 1 2 328.372 2.590 10 5 EFBELO CC(C)C(=O)N1CCCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599040287 479135397 /nfs/dbraw/zinc/13/53/97/479135397.db2.gz GTMGSNYIIGPYAP-UHFFFAOYSA-N 1 2 342.399 2.838 10 5 EFBELO COC(=O)[C@H]1CC12CCN(c1ccc3c[nH+]ccc3c1[N+](=O)[O-])CC2 ZINC000599045133 479136549 /nfs/dbraw/zinc/13/65/49/479136549.db2.gz VRFYTEKOTFBVKU-CQSZACIVSA-N 1 2 341.367 2.923 10 5 EFBELO COC(=O)CCSCCNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599043315 479136777 /nfs/dbraw/zinc/13/67/77/479136777.db2.gz JDYHZCCNRIHYQS-UHFFFAOYSA-N 1 2 335.385 2.851 10 5 EFBELO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CC[C@](O)(C(F)(F)F)C1 ZINC000599047646 479137972 /nfs/dbraw/zinc/13/79/72/479137972.db2.gz CNZKJLSZZOCWNK-CYBMUJFWSA-N 1 2 327.262 2.647 10 5 EFBELO O=[N+]([O-])c1c(NCCCOC[C@@H]2CCOC2)ccc2c[nH+]ccc21 ZINC000599049701 479139262 /nfs/dbraw/zinc/13/92/62/479139262.db2.gz ZTVHWFIJBYEQGT-ZDUSSCGKSA-N 1 2 331.372 2.998 10 5 EFBELO CC(C)(C)N1C[C@@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1=O ZINC000599055428 479140842 /nfs/dbraw/zinc/14/08/42/479140842.db2.gz QXXMLAPDINEJTH-LBPRGKRZSA-N 1 2 328.372 2.954 10 5 EFBELO NC(=O)CCC1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599066369 479145596 /nfs/dbraw/zinc/14/55/96/479145596.db2.gz WOUXBBATPOANKE-UHFFFAOYSA-N 1 2 328.372 2.625 10 5 EFBELO O=[N+]([O-])c1c(NCCc2nnc3n2CCCC3)ccc2c[nH+]ccc21 ZINC000599064601 479146290 /nfs/dbraw/zinc/14/62/90/479146290.db2.gz CRGYYHMJKFVJBN-UHFFFAOYSA-N 1 2 338.371 2.725 10 5 EFBELO CC1(C)CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000599069967 479147947 /nfs/dbraw/zinc/14/79/47/479147947.db2.gz DSUMNOKBMVLXNE-SFHVURJKSA-N 1 2 343.383 2.917 10 5 EFBELO CCO[C@@]1(C)C[C@H]1[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000599074617 479150370 /nfs/dbraw/zinc/15/03/70/479150370.db2.gz YIJMSLUCTKIYAF-INMHGKMJSA-N 1 2 330.388 2.575 10 5 EFBELO Cn1ccnc1[C@H]([NH2+][C@H]1CO[C@@H](C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000599084653 479155764 /nfs/dbraw/zinc/15/57/64/479155764.db2.gz DQSPVPUNIYWTTQ-DJIMGWMZSA-N 1 2 342.399 2.575 10 5 EFBELO Cc1cn2c([nH+]1)C[C@@H](C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)CC2 ZINC000599101146 479161794 /nfs/dbraw/zinc/16/17/94/479161794.db2.gz IDBCKHXHVNAJNZ-JSGCOSHPSA-N 1 2 328.372 2.540 10 5 EFBELO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000602128081 479192667 /nfs/dbraw/zinc/19/26/67/479192667.db2.gz IDQBEQZWKHJYLW-ZIAGYGMSSA-N 1 2 326.356 2.613 10 5 EFBELO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000602128081 479192671 /nfs/dbraw/zinc/19/26/71/479192671.db2.gz IDQBEQZWKHJYLW-ZIAGYGMSSA-N 1 2 326.356 2.613 10 5 EFBELO O=[N+]([O-])c1cnccc1N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000599180829 479198058 /nfs/dbraw/zinc/19/80/58/479198058.db2.gz ZYQYDWHQVCHHBY-UHFFFAOYSA-N 1 2 337.383 2.793 10 5 EFBELO COC(=O)c1ccc(C[N@H+](C)[C@@H](C)c2ccccc2[N+](=O)[O-])nc1 ZINC000599443306 479298904 /nfs/dbraw/zinc/29/89/04/479298904.db2.gz MGYZNKOERJZBTE-LBPRGKRZSA-N 1 2 329.356 2.969 10 5 EFBELO COC(=O)c1ccc(C[N@@H+](C)[C@@H](C)c2ccccc2[N+](=O)[O-])nc1 ZINC000599443306 479298906 /nfs/dbraw/zinc/29/89/06/479298906.db2.gz MGYZNKOERJZBTE-LBPRGKRZSA-N 1 2 329.356 2.969 10 5 EFBELO Cc1c(NC(=O)[C@@H](C)[NH+]2CC3(C2)CC(F)(F)C3)cccc1[N+](=O)[O-] ZINC000611180345 479304898 /nfs/dbraw/zinc/30/48/98/479304898.db2.gz DTGSMCLAMXKDNP-LLVKDONJSA-N 1 2 339.342 2.961 10 5 EFBELO Cc1cc(N2C[C@@H](C)[C@H](O)[C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000596462869 479305342 /nfs/dbraw/zinc/30/53/42/479305342.db2.gz LUHXHEJUADGFAX-PBKGOJFUSA-N 1 2 342.399 2.813 10 5 EFBELO C[C@H]1CC[C@@H](Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CS1(=O)=O ZINC000596466623 479307208 /nfs/dbraw/zinc/30/72/08/479307208.db2.gz SVIOEASABASECL-CMPLNLGQSA-N 1 2 335.385 2.521 10 5 EFBELO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[C@@]2(CC2(F)F)C1 ZINC000593357684 479310038 /nfs/dbraw/zinc/31/00/38/479310038.db2.gz CWWPCMPDIJGAHX-OAHLLOKOSA-N 1 2 348.309 2.652 10 5 EFBELO Cc1cc(N2C[C@@H]3COC[C@@]3(C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000596483061 479313205 /nfs/dbraw/zinc/31/32/05/479313205.db2.gz OELQEXCWOABFOO-RDTXWAMCSA-N 1 2 340.383 2.833 10 5 EFBELO C[C@@H](NC(=O)Cc1cn2c([nH+]1)CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000593410764 479329687 /nfs/dbraw/zinc/32/96/87/479329687.db2.gz DOVIAHLKVNPATC-GFCCVEGCSA-N 1 2 328.372 2.548 10 5 EFBELO CC[C@@H](NC(=O)[C@H]1CCn2cc(C)[nH+]c2C1)c1cccc([N+](=O)[O-])c1 ZINC000599635087 479361854 /nfs/dbraw/zinc/36/18/54/479361854.db2.gz MPQGBKLMYOSLKO-GOEBONIOSA-N 1 2 342.399 2.930 10 5 EFBELO COC(=O)[C@@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)Cc2ccccc21 ZINC000599671428 479382310 /nfs/dbraw/zinc/38/23/10/479382310.db2.gz YKCNZNBNJOYOFQ-CQSZACIVSA-N 1 2 332.381 2.929 10 5 EFBELO COC(=O)[C@@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)Cc2ccccc21 ZINC000599671428 479382314 /nfs/dbraw/zinc/38/23/14/479382314.db2.gz YKCNZNBNJOYOFQ-CQSZACIVSA-N 1 2 332.381 2.929 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000611579052 479423603 /nfs/dbraw/zinc/42/36/03/479423603.db2.gz HHCYGWLVQKYRAY-GFCCVEGCSA-N 1 2 343.330 2.545 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H](OC(F)F)C1 ZINC000611579052 479423605 /nfs/dbraw/zinc/42/36/05/479423605.db2.gz HHCYGWLVQKYRAY-GFCCVEGCSA-N 1 2 343.330 2.545 10 5 EFBELO C[C@@H]1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)C[C@H]1n1cc[nH+]c1 ZINC000611706777 479451787 /nfs/dbraw/zinc/45/17/87/479451787.db2.gz HDEDLRPDMPQLII-MLGOLLRUSA-N 1 2 338.371 2.822 10 5 EFBELO O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc2[nH+]ccn2c1 ZINC000589063378 479472611 /nfs/dbraw/zinc/47/26/11/479472611.db2.gz ONKXEMIXXYDKJU-UHFFFAOYSA-N 1 2 349.350 2.696 10 5 EFBELO Cc1cn2c([nH+]1)C[C@@H](C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)CC2 ZINC000599953948 479479764 /nfs/dbraw/zinc/47/97/64/479479764.db2.gz AJHVSSCCZSFGTI-ZDUSSCGKSA-N 1 2 328.372 2.918 10 5 EFBELO Cc1cn2c([nH+]1)C[C@H](C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)CC2 ZINC000599953947 479480496 /nfs/dbraw/zinc/48/04/96/479480496.db2.gz AJHVSSCCZSFGTI-CYBMUJFWSA-N 1 2 328.372 2.918 10 5 EFBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@H](OC(F)F)C2)c1 ZINC000589510474 479535716 /nfs/dbraw/zinc/53/57/16/479535716.db2.gz FSTNMXPPUDBSCA-GFCCVEGCSA-N 1 2 344.314 2.585 10 5 EFBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H](OC(F)F)C2)c1 ZINC000589510474 479535722 /nfs/dbraw/zinc/53/57/22/479535722.db2.gz FSTNMXPPUDBSCA-GFCCVEGCSA-N 1 2 344.314 2.585 10 5 EFBELO C[C@H]1c2ccccc2OCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000604558627 479542634 /nfs/dbraw/zinc/54/26/34/479542634.db2.gz KHSMMLRNYMJTHS-LBPRGKRZSA-N 1 2 341.367 2.649 10 5 EFBELO C[C@H]1c2ccccc2OCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000604558627 479542643 /nfs/dbraw/zinc/54/26/43/479542643.db2.gz KHSMMLRNYMJTHS-LBPRGKRZSA-N 1 2 341.367 2.649 10 5 EFBELO CC(C)(NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(C)(F)F ZINC000594061548 479573615 /nfs/dbraw/zinc/57/36/15/479573615.db2.gz FFTIWEGWIWZABK-UHFFFAOYSA-N 1 2 338.314 2.944 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(C(=O)CC(C)(C)C)CC1 ZINC000612576498 479698684 /nfs/dbraw/zinc/69/86/84/479698684.db2.gz 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CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2[nH+]ccn2c1 ZINC000610032900 480231814 /nfs/dbraw/zinc/23/18/14/480231814.db2.gz TWUGREDZTWVJRI-UHFFFAOYSA-N 1 2 346.368 2.606 10 5 EFBELO CC[C@@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1cccc([N+](=O)[O-])c1 ZINC000156518773 522768379 /nfs/dbraw/zinc/76/83/79/522768379.db2.gz HLOKDLMPJPYBJU-DZGCQCFKSA-N 1 2 328.372 2.621 10 5 EFBELO CCc1noc(C)c1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000120849340 522877211 /nfs/dbraw/zinc/87/72/11/522877211.db2.gz OXOJAEROHHGJBC-UHFFFAOYSA-N 1 2 341.327 2.892 10 5 EFBELO COc1ccc(C(=O)Nc2ccc3[nH+]c(C)cn3c2)cc1[N+](=O)[O-] ZINC000071478568 523755842 /nfs/dbraw/zinc/75/58/42/523755842.db2.gz JGJPFIDYBBHMIQ-UHFFFAOYSA-N 1 2 326.312 2.812 10 5 EFBELO C[C@H](C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)c1ccc([N+](=O)[O-])cc1F ZINC000183052936 525972508 /nfs/dbraw/zinc/97/25/08/525972508.db2.gz RODXHVZTQFLQLX-GXTWGEPZSA-N 1 2 346.362 2.725 10 5 EFBELO O=C([C@H]1CCCn2cc[nH+]c21)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000178681224 526546979 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EFBELO O=C(Nc1nccs1)[C@H]1CCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000074314433 527527627 /nfs/dbraw/zinc/52/76/27/527527627.db2.gz LSCGSWLKQKUHQC-CQSZACIVSA-N 1 2 346.412 2.697 10 5 EFBELO CN(C)c1ncc(C[N@H+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000356452344 536157823 /nfs/dbraw/zinc/15/78/23/536157823.db2.gz ICNKGRIJPZYOFR-UHFFFAOYSA-N 1 2 335.795 2.736 10 5 EFBELO CN(C)c1ncc(C[N@@H+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000356452344 536157826 /nfs/dbraw/zinc/15/78/26/536157826.db2.gz ICNKGRIJPZYOFR-UHFFFAOYSA-N 1 2 335.795 2.736 10 5 EFBELO CC[C@H](C)[NH2+][C@@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])c1ccco1 ZINC000359556262 536172810 /nfs/dbraw/zinc/17/28/10/536172810.db2.gz LVCNWRHBYMNWFZ-FZMZJTMJSA-N 1 2 347.371 2.753 10 5 EFBELO COC(=O)C[C@](C)([NH2+]Cc1csc([N+](=O)[O-])c1)c1ccccn1 ZINC000351816798 536360601 /nfs/dbraw/zinc/36/06/01/536360601.db2.gz SOAACTRVQCGRHT-HNNXBMFYSA-N 1 2 335.385 2.619 10 5 EFBELO O=C(N[C@H]1CCCC1(F)F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000588789350 546373599 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EFBELO O=C(C[N@@H+]1CC[C@H](C(F)F)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000761111218 576114810 /nfs/dbraw/zinc/11/48/10/576114810.db2.gz XBMYZZKZZVZIRF-QMMMGPOBSA-N 1 2 333.722 2.774 10 5 EFBELO O=C(C[N@H+]1CC[C@H](C(F)F)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000761111218 576114811 /nfs/dbraw/zinc/11/48/11/576114811.db2.gz XBMYZZKZZVZIRF-QMMMGPOBSA-N 1 2 333.722 2.774 10 5 EFBELO C[C@H]1CC2(CCC2)C[N@@H+]1Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000762137045 576264047 /nfs/dbraw/zinc/26/40/47/576264047.db2.gz HANLNIGUBFECDV-VIFPVBQESA-N 1 2 329.198 2.776 10 5 EFBELO C[C@H]1CC2(CCC2)C[N@H+]1Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000762137045 576264049 /nfs/dbraw/zinc/26/40/49/576264049.db2.gz HANLNIGUBFECDV-VIFPVBQESA-N 1 2 329.198 2.776 10 5 EFBELO CC(=O)c1c(NC[C@@H](C(C)C)[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000763207144 576367104 /nfs/dbraw/zinc/36/71/04/576367104.db2.gz SAAJDNFJDIOLHC-INIZCTEOSA-N 1 2 335.404 2.566 10 5 EFBELO O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CC(Oc2cc[nH+]cc2)C1 ZINC000768706060 577296464 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LIYYJNMVFKVAGB-UHFFFAOYSA-N 1 2 325.166 2.974 10 5 EFBELO CN(Cc1ccc(N)[nH+]c1)c1ccc([N+](=O)[O-])cc1Br ZINC000798398275 1274891029 /nfs/dbraw/zinc/89/10/29/1274891029.db2.gz NRVQBAKFVPQWLR-UHFFFAOYSA-N 1 2 337.177 2.971 10 5 EFBELO O=[N+]([O-])c1cc(C[NH2+]C2(c3ncccn3)CCOCC2)ccc1Cl ZINC000923008894 1276516018 /nfs/dbraw/zinc/51/60/18/1276516018.db2.gz MHSNVZYJBQGQSX-UHFFFAOYSA-N 1 2 348.790 2.834 10 5 EFBELO C[C@H](CC(=O)Nc1nccc2cc([N+](=O)[O-])ccc21)n1cc[nH+]c1 ZINC001130955056 1281332997 /nfs/dbraw/zinc/33/29/97/1281332997.db2.gz XYUFDHUBDVQPNQ-LLVKDONJSA-N 1 2 325.328 2.929 10 5 EFBELO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCCC[C@@H]2c2ncccn2)c1 ZINC001175845938 1287560389 /nfs/dbraw/zinc/56/03/89/1287560389.db2.gz SQLGQURCYKTWLF-MRXNPFEDSA-N 1 2 328.372 2.991 10 5 EFBELO O=[N+]([O-])c1cccc(OCC[N@H+]2CCCC[C@@H]2c2ncccn2)c1 ZINC001175845938 1287560393 /nfs/dbraw/zinc/56/03/93/1287560393.db2.gz SQLGQURCYKTWLF-MRXNPFEDSA-N 1 2 328.372 2.991 10 5 EFBELO C[C@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1nnc2n1CCCCC2 ZINC000815557506 1287594517 /nfs/dbraw/zinc/59/45/17/1287594517.db2.gz WNYZPVBLXZJZSK-RYUDHWBXSA-N 1 2 344.419 2.907 10 5 EFBELO C[C@@H]([NH2+][C@@H](C)c1nnc2n1CCCCC2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815557504 1287595096 /nfs/dbraw/zinc/59/50/96/1287595096.db2.gz WNYZPVBLXZJZSK-NEPJUHHUSA-N 1 2 344.419 2.907 10 5 EFBELO C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC001132621193 1284021975 /nfs/dbraw/zinc/02/19/75/1284021975.db2.gz DBEMHWMQEMQMDP-INIZCTEOSA-N 1 2 347.321 2.790 10 5 EFBELO C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC001132621193 1284021985 /nfs/dbraw/zinc/02/19/85/1284021985.db2.gz DBEMHWMQEMQMDP-INIZCTEOSA-N 1 2 347.321 2.790 10 5 EFBELO CC(C)c1[nH]cc(CNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC001179092599 1289038035 /nfs/dbraw/zinc/03/80/35/1289038035.db2.gz RMDBOYHLRKYVAM-UHFFFAOYSA-N 1 2 338.314 2.850 10 5 EFBELO CC(C)c1[nH]c(CNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)c[nH+]1 ZINC001179092599 1289038043 /nfs/dbraw/zinc/03/80/43/1289038043.db2.gz RMDBOYHLRKYVAM-UHFFFAOYSA-N 1 2 338.314 2.850 10 5 EFBELO CC(C)C[C@H](C(=O)NCCNc1ccccc1[N+](=O)[O-])n1cc[nH+]c1 ZINC001135880819 1288544350 /nfs/dbraw/zinc/54/43/50/1288544350.db2.gz CTUMOGLOJIFJRN-MRXNPFEDSA-N 1 2 345.403 2.607 10 5 EFBELO O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001136581253 1288953431 /nfs/dbraw/zinc/95/34/31/1288953431.db2.gz OXCBBRVZIBTZOH-SNVBAGLBSA-N 1 2 334.763 2.991 10 5 EFBELO O=C(NCc1[nH]c2c([nH+]1)CCCC2)c1cccc(Cl)c1[N+](=O)[O-] ZINC001178922554 1288986524 /nfs/dbraw/zinc/98/65/24/1288986524.db2.gz OWCVLGVIVSNBKS-UHFFFAOYSA-N 1 2 334.763 2.780 10 5 EFBELO Cc1nc(NCc2ccc(-n3cc[nH+]c3)c(F)c2)ncc1[N+](=O)[O-] ZINC001185007028 1290560945 /nfs/dbraw/zinc/56/09/45/1290560945.db2.gz HVQYWDYMEHLTHV-UHFFFAOYSA-N 1 2 328.307 2.630 10 5 EFBELO Cn1cc([N+](=O)[O-])c(NCc2cc[nH+]c(N3CCCCCC3)c2)n1 ZINC001185950011 1290788957 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CC[C@H]([NH2+][C@H]1CCCn2nc(COC)nc21)c1cccc([N+](=O)[O-])c1 ZINC000125326548 205003875 /nfs/dbraw/zinc/00/38/75/205003875.db2.gz UWIDZVPBFRAWKK-GJZGRUSLSA-N 1 2 345.403 2.909 10 5 EFBELO Cc1sc(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000125691536 205020981 /nfs/dbraw/zinc/02/09/81/205020981.db2.gz FFYHWIPMXPYJGO-ZWNOBZJWSA-N 1 2 334.401 2.885 10 5 EFBELO CN(Cc1[nH+]ccn1C)C(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000444853086 250358005 /nfs/dbraw/zinc/35/80/05/250358005.db2.gz CVKXPXBUQASZQL-UHFFFAOYSA-N 1 2 346.390 2.687 10 5 EFBELO O=[N+]([O-])c1cc(C[N@@H+]2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)cs1 ZINC000449432040 251024285 /nfs/dbraw/zinc/02/42/85/251024285.db2.gz ZWWZNXXEXYAFIH-HOCLYGCPSA-N 1 2 336.388 2.956 10 5 EFBELO O=[N+]([O-])c1cc(C[N@H+]2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)cs1 ZINC000449432040 251024289 /nfs/dbraw/zinc/02/42/89/251024289.db2.gz ZWWZNXXEXYAFIH-HOCLYGCPSA-N 1 2 336.388 2.956 10 5 EFBELO C[C@@H]1CN(CC(F)(F)F)CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000449665170 251104320 /nfs/dbraw/zinc/10/43/20/251104320.db2.gz MVOURMRZSODQKA-NSHDSACASA-N 1 2 347.337 2.616 10 5 EFBELO C[C@@H]1CN(CC(F)(F)F)CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000449665170 251104322 /nfs/dbraw/zinc/10/43/22/251104322.db2.gz MVOURMRZSODQKA-NSHDSACASA-N 1 2 347.337 2.616 10 5 EFBELO CO[C@H](C)CN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(C)C ZINC000449981008 251218863 /nfs/dbraw/zinc/21/88/63/251218863.db2.gz WMIQPLNSTLVBTG-CYBMUJFWSA-N 1 2 346.387 2.666 10 5 EFBELO C[C@H](NC(=O)NCc1ccc[nH+]c1N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000454263198 252193417 /nfs/dbraw/zinc/19/34/17/252193417.db2.gz PHICHPYQAAUHKD-LBPRGKRZSA-N 1 2 343.387 2.616 10 5 EFBELO O=[N+]([O-])c1ccc(N2CC[C@H](CNc3cccc[nH+]3)C2)c([N+](=O)[O-])c1 ZINC000195513646 285129783 /nfs/dbraw/zinc/12/97/83/285129783.db2.gz RDUJWEHQJDNXLQ-GFCCVEGCSA-N 1 2 343.343 2.836 10 5 EFBELO Cn1cc(-c2cc(C[N@@H+]3CCc4ccc([N+](=O)[O-])cc4C3)on2)cn1 ZINC000346150369 142155606 /nfs/dbraw/zinc/15/56/06/142155606.db2.gz OLWIRKGHYAERMU-UHFFFAOYSA-N 1 2 339.355 2.542 10 5 EFBELO Cn1cc(-c2cc(C[N@H+]3CCc4ccc([N+](=O)[O-])cc4C3)on2)cn1 ZINC000346150369 142155607 /nfs/dbraw/zinc/15/56/07/142155607.db2.gz OLWIRKGHYAERMU-UHFFFAOYSA-N 1 2 339.355 2.542 10 5 EFBELO O=C(CC[N@@H+]1CCc2ccccc2C1)Nc1cc([N+](=O)[O-])ccc1O ZINC000348871707 146017558 /nfs/dbraw/zinc/01/75/58/146017558.db2.gz LQUZDSXEPIGOAX-UHFFFAOYSA-N 1 2 341.367 2.687 10 5 EFBELO O=C(CC[N@H+]1CCc2ccccc2C1)Nc1cc([N+](=O)[O-])ccc1O ZINC000348871707 146017559 /nfs/dbraw/zinc/01/75/59/146017559.db2.gz LQUZDSXEPIGOAX-UHFFFAOYSA-N 1 2 341.367 2.687 10 5 EFBELO Cc1cn2cc(NS(=O)(=O)c3ccc([N+](=O)[O-])c(C)c3)ccc2[nH+]1 ZINC000350742078 146086381 /nfs/dbraw/zinc/08/63/81/146086381.db2.gz UDELTMGJNXMTGB-UHFFFAOYSA-N 1 2 346.368 2.660 10 5 EFBELO COc1cc(C[NH+]2CCN(c3cccc(O)c3)CC2)ccc1[N+](=O)[O-] ZINC000351970588 146251635 /nfs/dbraw/zinc/25/16/35/146251635.db2.gz FSSUXUVBNJLYPW-UHFFFAOYSA-N 1 2 343.383 2.631 10 5 EFBELO O=[N+]([O-])c1ccc(-c2nnc(C[NH2+][C@@H](CO)c3ccsc3)o2)cc1 ZINC000352021597 146266935 /nfs/dbraw/zinc/26/69/35/146266935.db2.gz MGXZWHZOYSBMEQ-ZDUSSCGKSA-N 1 2 346.368 2.530 10 5 EFBELO O=[N+]([O-])c1ccc(-c2noc(C[NH2+][C@@H](CO)c3ccsc3)n2)cc1 ZINC000352032025 146270935 /nfs/dbraw/zinc/27/09/35/146270935.db2.gz IXRWJCUPYUZQDA-ZDUSSCGKSA-N 1 2 346.368 2.530 10 5 EFBELO O=[N+]([O-])c1cccc(-c2noc(C[NH2+][C@@H](CO)c3ccsc3)n2)c1 ZINC000352033276 146271536 /nfs/dbraw/zinc/27/15/36/146271536.db2.gz RUGDQFDUPUINJH-ZDUSSCGKSA-N 1 2 346.368 2.530 10 5 EFBELO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](Cc1ccn(-c3ccccc3)n1)CC2 ZINC000353009763 146373801 /nfs/dbraw/zinc/37/38/01/146373801.db2.gz WATVCSYWUOYVGH-UHFFFAOYSA-N 1 2 335.367 2.734 10 5 EFBELO O=[N+]([O-])c1cnc2c(c1)C[N@H+](Cc1ccn(-c3ccccc3)n1)CC2 ZINC000353009763 146373804 /nfs/dbraw/zinc/37/38/04/146373804.db2.gz WATVCSYWUOYVGH-UHFFFAOYSA-N 1 2 335.367 2.734 10 5 EFBELO COC(=O)c1ccc([N+](=O)[O-])c(NCc2cn3cc(C)ccc3[nH+]2)c1 ZINC000360149161 148284553 /nfs/dbraw/zinc/28/45/53/148284553.db2.gz PEDMMBAFCFEAFR-UHFFFAOYSA-N 1 2 340.339 2.950 10 5 EFBELO COC(=O)c1ccc([N+](=O)[O-])c(NCCCNc2cccc[nH+]2)c1 ZINC000360156647 148286458 /nfs/dbraw/zinc/28/64/58/148286458.db2.gz JQRYWQNMSXRJLR-UHFFFAOYSA-N 1 2 330.344 2.691 10 5 EFBELO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000364414612 149144673 /nfs/dbraw/zinc/14/46/73/149144673.db2.gz FMEXBLRGVXFZOO-IAQYHMDHSA-N 1 2 344.371 2.817 10 5 EFBELO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000364414612 149144677 /nfs/dbraw/zinc/14/46/77/149144677.db2.gz FMEXBLRGVXFZOO-IAQYHMDHSA-N 1 2 344.371 2.817 10 5 EFBELO COc1cc(C[N@@H+]2CCC[C@H]2c2cnn(C)c2)c([N+](=O)[O-])cc1F ZINC000184199560 286218961 /nfs/dbraw/zinc/21/89/61/286218961.db2.gz GMPBAFRFEGKWSS-AWEZNQCLSA-N 1 2 334.351 2.813 10 5 EFBELO COc1cc(C[N@H+]2CCC[C@H]2c2cnn(C)c2)c([N+](=O)[O-])cc1F ZINC000184199560 286218962 /nfs/dbraw/zinc/21/89/62/286218962.db2.gz GMPBAFRFEGKWSS-AWEZNQCLSA-N 1 2 334.351 2.813 10 5 EFBELO Cc1cn2c([nH+]1)CN(C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C)CC2 ZINC000372765321 151058613 /nfs/dbraw/zinc/05/86/13/151058613.db2.gz IUOGYQBJRSFVCI-UHFFFAOYSA-N 1 2 329.360 2.764 10 5 EFBELO Cc1ccc(C2CCN(c3ccc4ncc([N+](=O)[O-])n4n3)CC2)c[nH+]1 ZINC000374676370 151393645 /nfs/dbraw/zinc/39/36/45/151393645.db2.gz GWPTYRPFJHKJAT-UHFFFAOYSA-N 1 2 338.371 2.725 10 5 EFBELO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000378074230 152002249 /nfs/dbraw/zinc/00/22/49/152002249.db2.gz IRSQVCOVWMYFKT-UHFFFAOYSA-N 1 2 334.763 2.991 10 5 EFBELO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378074230 152002251 /nfs/dbraw/zinc/00/22/51/152002251.db2.gz IRSQVCOVWMYFKT-UHFFFAOYSA-N 1 2 334.763 2.991 10 5 EFBELO COc1cc(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000123613467 222305841 /nfs/dbraw/zinc/30/58/41/222305841.db2.gz CMLKMRLWCIQTES-WFASDCNBSA-N 1 2 344.371 2.523 10 5 EFBELO C[C@H](NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccccc1[N+](=O)[O-] ZINC000271749111 266054030 /nfs/dbraw/zinc/05/40/30/266054030.db2.gz RZVYNEQQHSLPIH-QWHCGFSZSA-N 1 2 343.387 2.968 10 5 EFBELO Cn1c2c([nH+]c1[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1)CCCC2 ZINC000279270055 273195848 /nfs/dbraw/zinc/19/58/48/273195848.db2.gz WDNAFUHBTPPWIZ-ZDUSSCGKSA-N 1 2 344.371 2.777 10 5 EFBELO CNC(=O)C[C@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000352412847 277233762 /nfs/dbraw/zinc/23/37/62/277233762.db2.gz JKRBKYDKNIUVFT-INIZCTEOSA-N 1 2 349.337 2.840 10 5 EFBELO COc1cc(C[N@@H+]2CC[C@@]23CCOC3)c([N+](=O)[O-])cc1OC(F)F ZINC000421016917 277377265 /nfs/dbraw/zinc/37/72/65/277377265.db2.gz JNJLUUSAXIVLJN-HNNXBMFYSA-N 1 2 344.314 2.570 10 5 EFBELO COc1cc(C[N@H+]2CC[C@@]23CCOC3)c([N+](=O)[O-])cc1OC(F)F ZINC000421016917 277377266 /nfs/dbraw/zinc/37/72/66/277377266.db2.gz JNJLUUSAXIVLJN-HNNXBMFYSA-N 1 2 344.314 2.570 10 5 EFBELO C[C@@H]1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)C[C@H]1n1cc[nH+]c1 ZINC000152854018 293350502 /nfs/dbraw/zinc/35/05/02/293350502.db2.gz DRRFBVNSOLDNJP-CZUORRHYSA-N 1 2 343.387 2.584 10 5 EFBELO CC1CCC(NC(=O)C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CC1 ZINC000153037796 293357786 /nfs/dbraw/zinc/35/77/86/293357786.db2.gz OSGXJVPOFNZNFB-UHFFFAOYSA-N 1 2 331.416 2.648 10 5 EFBELO CC1CCC(NC(=O)C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CC1 ZINC000153037796 293357787 /nfs/dbraw/zinc/35/77/87/293357787.db2.gz OSGXJVPOFNZNFB-UHFFFAOYSA-N 1 2 331.416 2.648 10 5 EFBELO C[C@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153040941 293357890 /nfs/dbraw/zinc/35/78/90/293357890.db2.gz OYCOUAFSPHZNFI-RBSFLKMASA-N 1 2 345.443 2.846 10 5 EFBELO C[C@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153040941 293357892 /nfs/dbraw/zinc/35/78/92/293357892.db2.gz OYCOUAFSPHZNFI-RBSFLKMASA-N 1 2 345.443 2.846 10 5 EFBELO CC(C)N(C(=O)[C@@H](C)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)C(C)C ZINC000153088962 293359955 /nfs/dbraw/zinc/35/99/55/293359955.db2.gz KEXSVZLAMAWTQZ-CQSZACIVSA-N 1 2 333.432 2.987 10 5 EFBELO CC(C)N(C(=O)[C@@H](C)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)C(C)C ZINC000153088962 293359957 /nfs/dbraw/zinc/35/99/57/293359957.db2.gz KEXSVZLAMAWTQZ-CQSZACIVSA-N 1 2 333.432 2.987 10 5 EFBELO C[C@H](C(=O)NCc1ccccc1)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153090155 293360090 /nfs/dbraw/zinc/36/00/90/293360090.db2.gz WDHOGJNYCYRRPA-CQSZACIVSA-N 1 2 339.395 2.658 10 5 EFBELO C[C@H](C(=O)NCc1ccccc1)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153090155 293360093 /nfs/dbraw/zinc/36/00/93/293360093.db2.gz WDHOGJNYCYRRPA-CQSZACIVSA-N 1 2 339.395 2.658 10 5 EFBELO C[C@H](C(=O)NCc1cccs1)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153238442 293366779 /nfs/dbraw/zinc/36/67/79/293366779.db2.gz ALKLZUQUHAKXQS-GFCCVEGCSA-N 1 2 345.424 2.719 10 5 EFBELO C[C@H](C(=O)NCc1cccs1)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153238442 293366781 /nfs/dbraw/zinc/36/67/81/293366781.db2.gz ALKLZUQUHAKXQS-GFCCVEGCSA-N 1 2 345.424 2.719 10 5 EFBELO CN(Cc1cccs1)C(=O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153403307 293373822 /nfs/dbraw/zinc/37/38/22/293373822.db2.gz MPFLVKMZGWBBOS-UHFFFAOYSA-N 1 2 345.424 2.673 10 5 EFBELO CN(Cc1cccs1)C(=O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153403307 293373826 /nfs/dbraw/zinc/37/38/26/293373826.db2.gz MPFLVKMZGWBBOS-UHFFFAOYSA-N 1 2 345.424 2.673 10 5 EFBELO CC[C@@H]1C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])CCN1CC(F)F ZINC000153431083 293375015 /nfs/dbraw/zinc/37/50/15/293375015.db2.gz UYGVWRBNHFCLAP-LLVKDONJSA-N 1 2 331.338 2.895 10 5 EFBELO CC[C@@H]1C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])CCN1CC(F)F ZINC000153431083 293375019 /nfs/dbraw/zinc/37/50/19/293375019.db2.gz UYGVWRBNHFCLAP-LLVKDONJSA-N 1 2 331.338 2.895 10 5 EFBELO O=[N+]([O-])c1cnc(NCc2ccnc(-n3cc[nH+]c3)c2)c(Cl)c1 ZINC000301298247 311129698 /nfs/dbraw/zinc/12/96/98/311129698.db2.gz YYDYOKKAGIAKOA-UHFFFAOYSA-N 1 2 330.735 2.836 10 5 EFBELO CC[C@@H]1COCCN1c1cc(C)[nH+]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301326891 311131476 /nfs/dbraw/zinc/13/14/76/311131476.db2.gz ZMPRGFIDGPPRRU-CQSZACIVSA-N 1 2 328.372 2.975 10 5 EFBELO O=[N+]([O-])c1cc(Cl)cnc1NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000301749322 311156406 /nfs/dbraw/zinc/15/64/06/311156406.db2.gz TWLYYISEFAPREN-UHFFFAOYSA-N 1 2 330.735 2.836 10 5 EFBELO O=[N+]([O-])c1cnc(N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)nc1 ZINC000302160857 311181568 /nfs/dbraw/zinc/18/15/68/311181568.db2.gz PDQCFUQTKNNQMO-NSHDSACASA-N 1 2 349.341 2.740 10 5 EFBELO O=[N+]([O-])c1cnc(N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)nc1 ZINC000302160857 311181570 /nfs/dbraw/zinc/18/15/70/311181570.db2.gz PDQCFUQTKNNQMO-NSHDSACASA-N 1 2 349.341 2.740 10 5 EFBELO COC(=O)c1ccc([N+](=O)[O-])c(NCc2cn3cccc(C)c3[nH+]2)c1 ZINC000302202070 311184320 /nfs/dbraw/zinc/18/43/20/311184320.db2.gz VNMLDYXGZSPNSE-UHFFFAOYSA-N 1 2 340.339 2.950 10 5 EFBELO CC[C@H](CO)[NH+]1CCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000302263311 311187711 /nfs/dbraw/zinc/18/77/11/311187711.db2.gz DJGMBKBOHUMZNC-SNVBAGLBSA-N 1 2 348.230 2.795 10 5 EFBELO Cc1[nH+]c2ccccc2n1CCc1noc(-c2cc([N+](=O)[O-])c[nH]2)n1 ZINC000350765621 311822105 /nfs/dbraw/zinc/82/21/05/311822105.db2.gz UWLXVVPVCMJYFH-UHFFFAOYSA-N 1 2 338.327 2.874 10 5 EFBELO Cn1ccnc1[C@@H]([NH2+]C[C@H]1CCC(C)(C)O1)c1cccc([N+](=O)[O-])c1 ZINC000353678660 311892109 /nfs/dbraw/zinc/89/21/09/311892109.db2.gz FDBJJXZZQMWPRT-CVEARBPZSA-N 1 2 344.415 2.965 10 5 EFBELO CC[C@H]1C[C@H](Nc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CCO1 ZINC000420640667 312377816 /nfs/dbraw/zinc/37/78/16/312377816.db2.gz RDHFMMAYJMTCOV-CVEARBPZSA-N 1 2 349.431 2.797 10 5 EFBELO Cc1cc(N[C@H]2CCOC2(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000450650609 312730466 /nfs/dbraw/zinc/73/04/66/312730466.db2.gz RHTUZNFOFZGSCB-AWEZNQCLSA-N 1 2 328.372 2.762 10 5 EFBELO C[C@](CO)([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(O)c1 ZINC000451029164 312800687 /nfs/dbraw/zinc/80/06/87/312800687.db2.gz FVBHEOSAQFFUSX-MRXNPFEDSA-N 1 2 336.775 2.951 10 5 EFBELO CCc1ccc([C@@H]([NH2+][C@H](CC)C(=O)NC)c2ccc([N+](=O)[O-])cc2)o1 ZINC000453394416 312897964 /nfs/dbraw/zinc/89/79/64/312897964.db2.gz GBFTZAHVHRSLCW-WBVHZDCISA-N 1 2 345.399 2.954 10 5 EFBELO CCOC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])c(OCC)c1)C1CCC1 ZINC000492876212 314162199 /nfs/dbraw/zinc/16/21/99/314162199.db2.gz VJUWYGXSYZUQNZ-UHFFFAOYSA-N 1 2 336.388 2.911 10 5 EFBELO CCOC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])c(OCC)c1)C1CCC1 ZINC000492876212 314162204 /nfs/dbraw/zinc/16/22/04/314162204.db2.gz VJUWYGXSYZUQNZ-UHFFFAOYSA-N 1 2 336.388 2.911 10 5 EFBELO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCc1cccc([N+](=O)[O-])c1)C2 ZINC000527248487 316355774 /nfs/dbraw/zinc/35/57/74/316355774.db2.gz BEPGYXYGKZJVSO-ZDUSSCGKSA-N 1 2 342.399 2.863 10 5 EFBELO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCc1cccc([N+](=O)[O-])c1)CC2 ZINC000527248487 316355779 /nfs/dbraw/zinc/35/57/79/316355779.db2.gz BEPGYXYGKZJVSO-ZDUSSCGKSA-N 1 2 342.399 2.863 10 5 EFBELO CC(C)Cn1cc[nH+]c1CNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000555312560 318352691 /nfs/dbraw/zinc/35/26/91/318352691.db2.gz ASCFQBSMWFQGJK-CYBMUJFWSA-N 1 2 330.388 2.867 10 5 EFBELO CC(C)Cn1cc[nH+]c1CNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000555312561 318352925 /nfs/dbraw/zinc/35/29/25/318352925.db2.gz ASCFQBSMWFQGJK-ZDUSSCGKSA-N 1 2 330.388 2.867 10 5 EFBELO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCCOCC1CCC1 ZINC000567677722 319195609 /nfs/dbraw/zinc/19/56/09/319195609.db2.gz UGGQRELEOQNZAW-UHFFFAOYSA-N 1 2 349.431 2.656 10 5 EFBELO COc1cccc([N+](=O)[O-])c1N1CC[NH+](Cc2ccsc2)CC1 ZINC000574824140 319898122 /nfs/dbraw/zinc/89/81/22/319898122.db2.gz YKTAUPNHVGUIIJ-UHFFFAOYSA-N 1 2 333.413 2.987 10 5 EFBELO C[C@@H](C(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000581406583 324368618 /nfs/dbraw/zinc/36/86/18/324368618.db2.gz GVIQUBAGQXQBCV-GFCCVEGCSA-N 1 2 328.372 2.828 10 5 EFBELO O=[N+]([O-])c1ccc(NCc2cc[nH+]c(N3CCCC3)c2)c2nonc21 ZINC000140194454 473243571 /nfs/dbraw/zinc/24/35/71/473243571.db2.gz AYVTUGSUPVAHDJ-UHFFFAOYSA-N 1 2 340.343 2.738 10 5 EFBELO Cc1nc(N(C)C)nc(NCCCCc2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000488414805 468086244 /nfs/dbraw/zinc/08/62/44/468086244.db2.gz RHOWHJXSAKZNRL-UHFFFAOYSA-N 1 2 330.392 2.589 10 5 EFBELO Cc1nc(NCCCCc2ccc([N+](=O)[O-])cc2)nc(N(C)C)[nH+]1 ZINC000488414805 468086246 /nfs/dbraw/zinc/08/62/46/468086246.db2.gz RHOWHJXSAKZNRL-UHFFFAOYSA-N 1 2 330.392 2.589 10 5 EFBELO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000146266111 473299023 /nfs/dbraw/zinc/29/90/23/473299023.db2.gz RWWHKNKMZGVQCD-MRXNPFEDSA-N 1 2 347.415 2.615 10 5 EFBELO COCc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000125108230 473357804 /nfs/dbraw/zinc/35/78/04/473357804.db2.gz VCBBMXBLONYBNF-RISCZKNCSA-N 1 2 331.376 2.518 10 5 EFBELO COCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000125232742 473378752 /nfs/dbraw/zinc/37/87/52/473378752.db2.gz FJQHDCRLGADJNT-JSGCOSHPSA-N 1 2 345.403 2.827 10 5 EFBELO Cc1ccc(C)c(S(=O)(=O)Nc2ccc3[nH+]ccn3c2)c1[N+](=O)[O-] ZINC000616338733 479885089 /nfs/dbraw/zinc/88/50/89/479885089.db2.gz LMSBDSUCLFKUKJ-UHFFFAOYSA-N 1 2 346.368 2.660 10 5 EFBELO Cc1ccncc1C[N@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000361412565 475429174 /nfs/dbraw/zinc/42/91/74/475429174.db2.gz KJCMWSCSSXFIIG-UHFFFAOYSA-N 1 2 339.355 2.980 10 5 EFBELO Cc1ccncc1C[N@@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000361412565 475429180 /nfs/dbraw/zinc/42/91/80/475429180.db2.gz KJCMWSCSSXFIIG-UHFFFAOYSA-N 1 2 339.355 2.980 10 5 EFBELO Cn1c[nH+]cc1Cc1noc(C(C)(C)c2ccc([N+](=O)[O-])cc2F)n1 ZINC000346954150 475986454 /nfs/dbraw/zinc/98/64/54/475986454.db2.gz NYKSGCZLDNVISJ-UHFFFAOYSA-N 1 2 345.334 2.767 10 5 EFBELO CC(C)c1[nH]c2ccc(NC(=O)c3nn(C)cc3[N+](=O)[O-])cc2[nH+]1 ZINC000005847389 471523207 /nfs/dbraw/zinc/52/32/07/471523207.db2.gz IGZVKGSDYSUMNO-UHFFFAOYSA-N 1 2 328.332 2.580 10 5 EFBELO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)Cc1ccc(C)o1 ZINC000007975924 471652419 /nfs/dbraw/zinc/65/24/19/471652419.db2.gz BIFZDYVZCBFXTK-LBPRGKRZSA-N 1 2 347.371 2.964 10 5 EFBELO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(C)o1 ZINC000007975924 471652428 /nfs/dbraw/zinc/65/24/28/471652428.db2.gz BIFZDYVZCBFXTK-LBPRGKRZSA-N 1 2 347.371 2.964 10 5 EFBELO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CC(=O)NCc1ccccc1 ZINC000015548902 471908424 /nfs/dbraw/zinc/90/84/24/471908424.db2.gz AMXFOTMMKSHHIG-CQSZACIVSA-N 1 2 327.384 2.904 10 5 EFBELO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CC(=O)NCc1ccccc1 ZINC000015548902 471908429 /nfs/dbraw/zinc/90/84/29/471908429.db2.gz AMXFOTMMKSHHIG-CQSZACIVSA-N 1 2 327.384 2.904 10 5 EFBELO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(Cc2cscn2)CC1 ZINC000067712537 472078142 /nfs/dbraw/zinc/07/81/42/472078142.db2.gz UEXAXMNXMDJMTQ-CYBMUJFWSA-N 1 2 332.429 2.930 10 5 EFBELO Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000042800918 472171764 /nfs/dbraw/zinc/17/17/64/472171764.db2.gz VODGJGQSORYWBD-UHFFFAOYSA-N 1 2 345.746 2.529 10 5 EFBELO Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000075709951 472185398 /nfs/dbraw/zinc/18/53/98/472185398.db2.gz PLMUVCAEMKOVLO-UHFFFAOYSA-N 1 2 342.277 2.592 10 5 EFBELO CCn1cc[nH+]c1CN1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000076292057 472315922 /nfs/dbraw/zinc/31/59/22/472315922.db2.gz DZZUMKRAJTWSEO-UHFFFAOYSA-N 1 2 349.822 2.787 10 5 EFBELO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000030221243 472319547 /nfs/dbraw/zinc/31/95/47/472319547.db2.gz LUBXAXGGGSOCMO-UHFFFAOYSA-N 1 2 336.351 2.770 10 5 EFBELO Cc1sc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000032032235 472408664 /nfs/dbraw/zinc/40/86/64/472408664.db2.gz POAOTQKQWNPGMY-UHFFFAOYSA-N 1 2 345.424 2.923 10 5 EFBELO COc1c(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c(C)nn1C ZINC000154290249 472412520 /nfs/dbraw/zinc/41/25/20/472412520.db2.gz LDGKUWBRRGDHKK-UHFFFAOYSA-N 1 2 330.388 2.810 10 5 EFBELO COc1c(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c(C)nn1C ZINC000154290249 472412525 /nfs/dbraw/zinc/41/25/25/472412525.db2.gz LDGKUWBRRGDHKK-UHFFFAOYSA-N 1 2 330.388 2.810 10 5 EFBELO O=C(Nc1ccc(Cn2cc[nH+]c2)cc1)c1ccc([N+](=O)[O-])cc1O ZINC000097096723 472444519 /nfs/dbraw/zinc/44/45/19/472444519.db2.gz ULDQOPMZCXRWHG-UHFFFAOYSA-N 1 2 338.323 2.798 10 5 EFBELO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](Cc1ccc(-n3cccn3)cc1)CC2 ZINC000097110190 472452958 /nfs/dbraw/zinc/45/29/58/472452958.db2.gz YXEHCDSMKCWHEO-UHFFFAOYSA-N 1 2 335.367 2.734 10 5 EFBELO O=[N+]([O-])c1cnc2c(c1)C[N@H+](Cc1ccc(-n3cccn3)cc1)CC2 ZINC000097110190 472452965 /nfs/dbraw/zinc/45/29/65/472452965.db2.gz YXEHCDSMKCWHEO-UHFFFAOYSA-N 1 2 335.367 2.734 10 5 EFBELO CCn1c2ccc(F)cc2[nH+]c1Cn1cc([N+](=O)[O-])c(C)cc1=O ZINC000128631241 472477783 /nfs/dbraw/zinc/47/77/83/472477783.db2.gz PNLFWMNOHPPSLF-UHFFFAOYSA-N 1 2 330.319 2.622 10 5 EFBELO O=C(C[N@@H+]1CCCSCC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000089982481 472571146 /nfs/dbraw/zinc/57/11/46/472571146.db2.gz QETWVMNWCIJPKH-UHFFFAOYSA-N 1 2 329.809 2.626 10 5 EFBELO O=C(C[N@H+]1CCCSCC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000089982481 472571153 /nfs/dbraw/zinc/57/11/53/472571153.db2.gz QETWVMNWCIJPKH-UHFFFAOYSA-N 1 2 329.809 2.626 10 5 EFBELO Cc1cc(C[N@@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)no1 ZINC000092254082 472883674 /nfs/dbraw/zinc/88/36/74/472883674.db2.gz AGVDIPHOFLBSDV-UHFFFAOYSA-N 1 2 341.371 2.924 10 5 EFBELO Cc1cc(C[N@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)no1 ZINC000092254082 472883676 /nfs/dbraw/zinc/88/36/76/472883676.db2.gz AGVDIPHOFLBSDV-UHFFFAOYSA-N 1 2 341.371 2.924 10 5 EFBELO COc1cc(F)c([N+](=O)[O-])c(NCc2ccnc(-n3cc[nH+]c3)c2)c1 ZINC000092623967 472948425 /nfs/dbraw/zinc/94/84/25/472948425.db2.gz FVHXRMMBAYZCTO-UHFFFAOYSA-N 1 2 343.318 2.935 10 5 EFBELO COC(=O)c1cc(N2CCCC[C@H]2c2[nH]cc[nH+]2)ccc1[N+](=O)[O-] ZINC000092666348 472957919 /nfs/dbraw/zinc/95/79/19/472957919.db2.gz LIRXTNQNZVBARV-AWEZNQCLSA-N 1 2 330.344 2.836 10 5 EFBELO Cc1ccn2cc(CNC(=O)NCc3ccc([N+](=O)[O-])cc3)[nH+]c2c1 ZINC000050121390 472981434 /nfs/dbraw/zinc/98/14/34/472981434.db2.gz AXBMAAQSMRKFHF-UHFFFAOYSA-N 1 2 339.355 2.550 10 5 EFBELO CC(C)c1ccc(C[N@@H+]2CCO[C@@H](Cn3cccn3)C2)cc1[N+](=O)[O-] ZINC000122249434 472992800 /nfs/dbraw/zinc/99/28/00/472992800.db2.gz ZPBLYYNHUDGKRX-MRXNPFEDSA-N 1 2 344.415 2.816 10 5 EFBELO CC(C)c1ccc(C[N@H+]2CCO[C@@H](Cn3cccn3)C2)cc1[N+](=O)[O-] ZINC000122249434 472992808 /nfs/dbraw/zinc/99/28/08/472992808.db2.gz ZPBLYYNHUDGKRX-MRXNPFEDSA-N 1 2 344.415 2.816 10 5 EFBELO Cc1cnn(C[C@@H]2C[N@H+](C/C=C/c3ccccc3[N+](=O)[O-])CCO2)c1 ZINC000122371233 473006657 /nfs/dbraw/zinc/00/66/57/473006657.db2.gz LWBFCMFODWYEIU-YXMMZVCTSA-N 1 2 342.399 2.514 10 5 EFBELO Cc1cnn(C[C@@H]2C[N@@H+](C/C=C/c3ccccc3[N+](=O)[O-])CCO2)c1 ZINC000122371233 473006665 /nfs/dbraw/zinc/00/66/65/473006665.db2.gz LWBFCMFODWYEIU-YXMMZVCTSA-N 1 2 342.399 2.514 10 5 EFBELO Cc1cc(C)n(C[C@H]2C[N@H+](Cc3ccc(C)c([N+](=O)[O-])c3)CCO2)n1 ZINC000122562665 473031129 /nfs/dbraw/zinc/03/11/29/473031129.db2.gz DKAAEWGFMNOBLB-QGZVFWFLSA-N 1 2 344.415 2.618 10 5 EFBELO Cc1cc(C)n(C[C@H]2C[N@@H+](Cc3ccc(C)c([N+](=O)[O-])c3)CCO2)n1 ZINC000122562665 473031136 /nfs/dbraw/zinc/03/11/36/473031136.db2.gz DKAAEWGFMNOBLB-QGZVFWFLSA-N 1 2 344.415 2.618 10 5 EFBELO C[C@@H]1CN(c2ccc(CNc3ccc([N+](=O)[O-])cn3)c[nH+]2)C[C@H](C)O1 ZINC000052218886 473095265 /nfs/dbraw/zinc/09/52/65/473095265.db2.gz JBKDTNOHDTVETD-BETUJISGSA-N 1 2 343.387 2.611 10 5 EFBELO Cc1cc(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc([N+](=O)[O-])c1 ZINC000123510777 473150687 /nfs/dbraw/zinc/15/06/87/473150687.db2.gz GLJFQNPQIYQIEY-CZUORRHYSA-N 1 2 328.372 2.823 10 5 EFBELO O=[N+]([O-])c1cnccc1NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000066796641 473154725 /nfs/dbraw/zinc/15/47/25/473154725.db2.gz NZWMPLNTRSAENL-AWEZNQCLSA-N 1 2 334.401 2.537 10 5 EFBELO O=C1C[C@@H](c2ccccc2)[N@H+](Cc2c(F)cccc2[N+](=O)[O-])CCN1 ZINC000171631389 473425355 /nfs/dbraw/zinc/42/53/55/473425355.db2.gz MCGNNDCTXFSETJ-KRWDZBQOSA-N 1 2 343.358 2.797 10 5 EFBELO O=C1C[C@@H](c2ccccc2)[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])CCN1 ZINC000171631389 473425359 /nfs/dbraw/zinc/42/53/59/473425359.db2.gz MCGNNDCTXFSETJ-KRWDZBQOSA-N 1 2 343.358 2.797 10 5 EFBELO Cc1ccc([C@@H](C)NC(=O)[C@H]2CCCn3cc[nH+]c32)cc1[N+](=O)[O-] ZINC000177876475 473446275 /nfs/dbraw/zinc/44/62/75/473446275.db2.gz GZQFRYFXYPRRDS-OCCSQVGLSA-N 1 2 328.372 2.855 10 5 EFBELO CCC(=O)N[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000163512418 473450282 /nfs/dbraw/zinc/45/02/82/473450282.db2.gz UPIXVJCCJXLYNE-LLVKDONJSA-N 1 2 325.796 2.739 10 5 EFBELO CCC(=O)N[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000163512418 473450289 /nfs/dbraw/zinc/45/02/89/473450289.db2.gz UPIXVJCCJXLYNE-LLVKDONJSA-N 1 2 325.796 2.739 10 5 EFBELO O=C(Nc1nccs1)[C@H]1CCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000114472179 473471922 /nfs/dbraw/zinc/47/19/22/473471922.db2.gz PCEZBXYANGPRSK-CYBMUJFWSA-N 1 2 332.385 2.654 10 5 EFBELO O=C(Nc1nccs1)[C@H]1CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000114472179 473471928 /nfs/dbraw/zinc/47/19/28/473471928.db2.gz PCEZBXYANGPRSK-CYBMUJFWSA-N 1 2 332.385 2.654 10 5 EFBELO Cc1cc(N2CC[NH+](C3CC3)CC2)c(Br)cc1[N+](=O)[O-] ZINC000191533840 473551677 /nfs/dbraw/zinc/55/16/77/473551677.db2.gz DRWRPOZDPTZSQV-UHFFFAOYSA-N 1 2 340.221 2.950 10 5 EFBELO CC(=O)N1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000178784678 473562758 /nfs/dbraw/zinc/56/27/58/473562758.db2.gz OKEMHPCUCMKBKM-UHFFFAOYSA-N 1 2 345.321 2.668 10 5 EFBELO CC(=O)N1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000178784678 473562760 /nfs/dbraw/zinc/56/27/60/473562760.db2.gz OKEMHPCUCMKBKM-UHFFFAOYSA-N 1 2 345.321 2.668 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCSC[C@@H]1c1cnn(C)c1 ZINC000191751982 473574780 /nfs/dbraw/zinc/57/47/80/473574780.db2.gz PZSACFSTUBICCR-MRXNPFEDSA-N 1 2 332.429 2.927 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCSC[C@@H]1c1cnn(C)c1 ZINC000191751982 473574786 /nfs/dbraw/zinc/57/47/86/473574786.db2.gz PZSACFSTUBICCR-MRXNPFEDSA-N 1 2 332.429 2.927 10 5 EFBELO CN(C(=O)C[N@@H+]1CCC[C@H]1c1ccco1)c1ccc([N+](=O)[O-])cc1 ZINC000116296601 473647752 /nfs/dbraw/zinc/64/77/52/473647752.db2.gz DLFSYLSLTZOAFO-HNNXBMFYSA-N 1 2 329.356 2.988 10 5 EFBELO CN(C(=O)C[N@H+]1CCC[C@H]1c1ccco1)c1ccc([N+](=O)[O-])cc1 ZINC000116296601 473647757 /nfs/dbraw/zinc/64/77/57/473647757.db2.gz DLFSYLSLTZOAFO-HNNXBMFYSA-N 1 2 329.356 2.988 10 5 EFBELO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186383621 473664639 /nfs/dbraw/zinc/66/46/39/473664639.db2.gz DFPJOVDGJDSSEJ-UHFFFAOYSA-N 1 2 340.383 2.651 10 5 EFBELO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000192484614 473684845 /nfs/dbraw/zinc/68/48/45/473684845.db2.gz LUNCHFZNIVXUAO-UHFFFAOYSA-N 1 2 340.383 2.651 10 5 EFBELO COc1cccc(F)c1[C@H](C)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000179892458 473749511 /nfs/dbraw/zinc/74/95/11/473749511.db2.gz OGKGBVMDEMCMJM-JTQLQIEISA-N 1 2 347.346 2.692 10 5 EFBELO COc1cccc(F)c1[C@@H](C)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000179892475 473750640 /nfs/dbraw/zinc/75/06/40/473750640.db2.gz OGKGBVMDEMCMJM-SNVBAGLBSA-N 1 2 347.346 2.692 10 5 EFBELO Cc1cn2cc(NC(=O)c3n[nH]c(C(C)C)c3[N+](=O)[O-])ccc2[nH+]1 ZINC000269337724 473777616 /nfs/dbraw/zinc/77/76/16/473777616.db2.gz HBAUQMWIAFRMRG-UHFFFAOYSA-N 1 2 328.332 2.650 10 5 EFBELO O=[N+]([O-])c1ccc(CN2CCCC[C@@H]2c2[nH]cc[nH+]2)c([N+](=O)[O-])c1 ZINC000193828985 473812215 /nfs/dbraw/zinc/81/22/15/473812215.db2.gz LHIIKZACXSHGNT-CYBMUJFWSA-N 1 2 331.332 2.953 10 5 EFBELO O=[N+]([O-])c1cc(F)ccc1N1CCC[N@H+](Cc2cscn2)CC1 ZINC000263867155 473882720 /nfs/dbraw/zinc/88/27/20/473882720.db2.gz CJRFAMHDBJJFNW-UHFFFAOYSA-N 1 2 336.392 2.903 10 5 EFBELO O=[N+]([O-])c1cc(F)ccc1N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000263867155 473882725 /nfs/dbraw/zinc/88/27/25/473882725.db2.gz CJRFAMHDBJJFNW-UHFFFAOYSA-N 1 2 336.392 2.903 10 5 EFBELO C[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000173990984 473969891 /nfs/dbraw/zinc/96/98/91/473969891.db2.gz AJBPQYLBRJDECU-VIFPVBQESA-N 1 2 342.193 2.780 10 5 EFBELO C[C@H]1CCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000173990984 473969895 /nfs/dbraw/zinc/96/98/95/473969895.db2.gz AJBPQYLBRJDECU-VIFPVBQESA-N 1 2 342.193 2.780 10 5 EFBELO Cc1cnn(C[C@@H]2C[N@H+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)CCO2)c1 ZINC000182758176 474250257 /nfs/dbraw/zinc/25/02/57/474250257.db2.gz MJSSTBOVLBWFHN-WBVHZDCISA-N 1 2 344.415 2.870 10 5 EFBELO Cc1cnn(C[C@@H]2C[N@@H+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)CCO2)c1 ZINC000182758176 474250265 /nfs/dbraw/zinc/25/02/65/474250265.db2.gz MJSSTBOVLBWFHN-WBVHZDCISA-N 1 2 344.415 2.870 10 5 EFBELO Cc1cnn(C[C@@H]2C[N@H+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)CCO2)c1 ZINC000182758196 474250794 /nfs/dbraw/zinc/25/07/94/474250794.db2.gz MJSSTBOVLBWFHN-RDJZCZTQSA-N 1 2 344.415 2.870 10 5 EFBELO Cc1cnn(C[C@@H]2C[N@@H+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)CCO2)c1 ZINC000182758196 474250806 /nfs/dbraw/zinc/25/08/06/474250806.db2.gz MJSSTBOVLBWFHN-RDJZCZTQSA-N 1 2 344.415 2.870 10 5 EFBELO Cc1cc(CN2CC[NH+](Cc3ccc([N+](=O)[O-])cc3C)CC2)on1 ZINC000183245624 474358153 /nfs/dbraw/zinc/35/81/53/474358153.db2.gz IKMVVNMXXMQSKQ-UHFFFAOYSA-N 1 2 330.388 2.517 10 5 EFBELO Cc1cc(C[NH+]2CCN(Cc3ccc([N+](=O)[O-])cc3C)CC2)on1 ZINC000183245624 474358159 /nfs/dbraw/zinc/35/81/59/474358159.db2.gz IKMVVNMXXMQSKQ-UHFFFAOYSA-N 1 2 330.388 2.517 10 5 EFBELO CC(=O)N1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H](C)C1 ZINC000271206126 474440247 /nfs/dbraw/zinc/44/02/47/474440247.db2.gz WEZNZYVLPGZMNP-CYBMUJFWSA-N 1 2 343.383 2.907 10 5 EFBELO CC(=O)N1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H](C)C1 ZINC000271206126 474440255 /nfs/dbraw/zinc/44/02/55/474440255.db2.gz WEZNZYVLPGZMNP-CYBMUJFWSA-N 1 2 343.383 2.907 10 5 EFBELO CCn1cc([C@@H]2C[N@@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)CCO2)cn1 ZINC000248803940 474440558 /nfs/dbraw/zinc/44/05/58/474440558.db2.gz QWJDQYDTNPHYLX-DYVFJYSZSA-N 1 2 330.388 2.946 10 5 EFBELO CCn1cc([C@@H]2C[N@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)CCO2)cn1 ZINC000248803940 474440565 /nfs/dbraw/zinc/44/05/65/474440565.db2.gz QWJDQYDTNPHYLX-DYVFJYSZSA-N 1 2 330.388 2.946 10 5 EFBELO O=[N+]([O-])c1ccc(C[NH+]2CCN(c3cc(C4CC4)[nH]n3)CC2)cc1 ZINC000189654065 474457059 /nfs/dbraw/zinc/45/70/59/474457059.db2.gz FIZXCMLKRKAOOV-UHFFFAOYSA-N 1 2 327.388 2.518 10 5 EFBELO O=[N+]([O-])c1ccccc1C[NH+]1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000189683086 474463268 /nfs/dbraw/zinc/46/32/68/474463268.db2.gz JHJPBVJVRGQCFW-UHFFFAOYSA-N 1 2 327.388 2.518 10 5 EFBELO COc1ccc(CC(=O)Nc2ccc3[nH+]c(C)cn3c2)cc1[N+](=O)[O-] ZINC000609011704 480108400 /nfs/dbraw/zinc/10/84/00/480108400.db2.gz HWRHZKHEPNLEOU-UHFFFAOYSA-N 1 2 340.339 2.741 10 5 EFBELO CCOc1ccc(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000609131766 480115256 /nfs/dbraw/zinc/11/52/56/480115256.db2.gz XQTHOFHIWGABNA-CQSZACIVSA-N 1 2 344.371 2.667 10 5 EFBELO C[C@H]1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1n1cc[nH+]c1 ZINC000278428552 474641757 /nfs/dbraw/zinc/64/17/57/474641757.db2.gz JECKEEQTXKYYAM-XHDPSFHLSA-N 1 2 326.360 2.755 10 5 EFBELO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000310965258 474832095 /nfs/dbraw/zinc/83/20/95/474832095.db2.gz CFASTSDFDKIOOP-CYBMUJFWSA-N 1 2 343.383 2.551 10 5 EFBELO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000310965258 474832100 /nfs/dbraw/zinc/83/21/00/474832100.db2.gz CFASTSDFDKIOOP-CYBMUJFWSA-N 1 2 343.383 2.551 10 5 EFBELO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000339093451 474921154 /nfs/dbraw/zinc/92/11/54/474921154.db2.gz FAVMSQVYRLEWMD-GFCCVEGCSA-N 1 2 336.388 2.854 10 5 EFBELO CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000339093451 474921163 /nfs/dbraw/zinc/92/11/63/474921163.db2.gz FAVMSQVYRLEWMD-GFCCVEGCSA-N 1 2 336.388 2.854 10 5 EFBELO CC(C)(C)OC(=O)[C@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000339093452 474921421 /nfs/dbraw/zinc/92/14/21/474921421.db2.gz FAVMSQVYRLEWMD-LBPRGKRZSA-N 1 2 336.388 2.854 10 5 EFBELO CC(C)(C)OC(=O)[C@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000339093452 474921430 /nfs/dbraw/zinc/92/14/30/474921430.db2.gz FAVMSQVYRLEWMD-LBPRGKRZSA-N 1 2 336.388 2.854 10 5 EFBELO COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000339122968 474947898 /nfs/dbraw/zinc/94/78/98/474947898.db2.gz BYKZHRFZYXLRCS-UHFFFAOYSA-N 1 2 326.312 2.812 10 5 EFBELO C[C@@H]1C[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC(=O)N1C ZINC000337542057 475109307 /nfs/dbraw/zinc/10/93/07/475109307.db2.gz LMOMRFAZYIOZIR-GFCCVEGCSA-N 1 2 329.356 2.517 10 5 EFBELO C[C@@H]1C[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC(=O)N1C ZINC000337542057 475109314 /nfs/dbraw/zinc/10/93/14/475109314.db2.gz LMOMRFAZYIOZIR-GFCCVEGCSA-N 1 2 329.356 2.517 10 5 EFBELO C[C@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC(=O)N1C ZINC000337547492 475115561 /nfs/dbraw/zinc/11/55/61/475115561.db2.gz PMAXMYFJHGVCNG-LBPRGKRZSA-N 1 2 345.424 2.986 10 5 EFBELO C[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC(=O)N1C ZINC000337547492 475115565 /nfs/dbraw/zinc/11/55/65/475115565.db2.gz PMAXMYFJHGVCNG-LBPRGKRZSA-N 1 2 345.424 2.986 10 5 EFBELO CN(C)c1[nH+]cccc1CNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000341558258 475142239 /nfs/dbraw/zinc/14/22/39/475142239.db2.gz CYSAURWLCCREBE-UHFFFAOYSA-N 1 2 330.373 2.673 10 5 EFBELO Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Oc3cc[nH+]cc3)cc2)n1 ZINC000345432464 475186878 /nfs/dbraw/zinc/18/68/78/475186878.db2.gz YQXXQHQJTBSTDG-UHFFFAOYSA-N 1 2 339.311 2.768 10 5 EFBELO Cc1cc[nH+]cc1N1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000352420737 475279227 /nfs/dbraw/zinc/27/92/27/475279227.db2.gz GGLGBSCGIIPKLD-UHFFFAOYSA-N 1 2 348.353 2.899 10 5 EFBELO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCSC[C@H]1CCO ZINC000347378703 475280303 /nfs/dbraw/zinc/28/03/03/475280303.db2.gz QNTVRENSBLMQPT-OAHLLOKOSA-N 1 2 340.445 2.682 10 5 EFBELO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCSC[C@H]1CCO ZINC000347378703 475280310 /nfs/dbraw/zinc/28/03/10/475280310.db2.gz QNTVRENSBLMQPT-OAHLLOKOSA-N 1 2 340.445 2.682 10 5 EFBELO CSc1ccc(-c2nc(Cc3c[nH+]cn3C)no2)cc1[N+](=O)[O-] ZINC000357951477 475287307 /nfs/dbraw/zinc/28/73/07/475287307.db2.gz QGRPDTZMXJAIHJ-UHFFFAOYSA-N 1 2 331.357 2.691 10 5 EFBELO CC(C)(C)c1ccc(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)cc1[N+](=O)[O-] ZINC000361278309 475322318 /nfs/dbraw/zinc/32/23/18/475322318.db2.gz LHWRIAYPCCXFBI-GFCCVEGCSA-N 1 2 342.399 2.903 10 5 EFBELO CC(C)(C)c1ccc(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)cc1[N+](=O)[O-] ZINC000361278309 475322323 /nfs/dbraw/zinc/32/23/23/475322323.db2.gz LHWRIAYPCCXFBI-GFCCVEGCSA-N 1 2 342.399 2.903 10 5 EFBELO COc1cc(C[N@@H+]2CCO[C@@H](c3cccc(O)c3)C2)ccc1[N+](=O)[O-] ZINC000352526900 475380666 /nfs/dbraw/zinc/38/06/66/475380666.db2.gz TWBWDMYJAIXJCE-GOSISDBHSA-N 1 2 344.367 2.883 10 5 EFBELO COc1cc(C[N@H+]2CCO[C@@H](c3cccc(O)c3)C2)ccc1[N+](=O)[O-] ZINC000352526900 475380676 /nfs/dbraw/zinc/38/06/76/475380676.db2.gz TWBWDMYJAIXJCE-GOSISDBHSA-N 1 2 344.367 2.883 10 5 EFBELO CCn1cc[nH+]c1CNC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000296655115 475414254 /nfs/dbraw/zinc/41/42/54/475414254.db2.gz ZAVNFJVBHKJOOC-UHFFFAOYSA-N 1 2 345.403 2.633 10 5 EFBELO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)C2 ZINC000354808207 475426628 /nfs/dbraw/zinc/42/66/28/475426628.db2.gz PHZFTISZXFUUPH-CYBMUJFWSA-N 1 2 342.399 2.863 10 5 EFBELO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)CC2 ZINC000354808207 475426639 /nfs/dbraw/zinc/42/66/39/475426639.db2.gz PHZFTISZXFUUPH-CYBMUJFWSA-N 1 2 342.399 2.863 10 5 EFBELO Cc1ccncc1C[N@@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000361444586 475456113 /nfs/dbraw/zinc/45/61/13/475456113.db2.gz RNYHUMWQQXNQFS-CYBMUJFWSA-N 1 2 328.372 2.757 10 5 EFBELO Cc1ccncc1C[N@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000361444586 475456121 /nfs/dbraw/zinc/45/61/21/475456121.db2.gz RNYHUMWQQXNQFS-CYBMUJFWSA-N 1 2 328.372 2.757 10 5 EFBELO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000358200318 475482359 /nfs/dbraw/zinc/48/23/59/475482359.db2.gz ZUDCWYJYBZECSE-KBPBESRZSA-N 1 2 342.399 2.560 10 5 EFBELO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000358200318 475482367 /nfs/dbraw/zinc/48/23/67/475482367.db2.gz ZUDCWYJYBZECSE-KBPBESRZSA-N 1 2 342.399 2.560 10 5 EFBELO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000358200321 475482979 /nfs/dbraw/zinc/48/29/79/475482979.db2.gz ZUDCWYJYBZECSE-KGLIPLIRSA-N 1 2 342.399 2.560 10 5 EFBELO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000358200321 475482985 /nfs/dbraw/zinc/48/29/85/475482985.db2.gz ZUDCWYJYBZECSE-KGLIPLIRSA-N 1 2 342.399 2.560 10 5 EFBELO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000358200330 475483448 /nfs/dbraw/zinc/48/34/48/475483448.db2.gz ZUDCWYJYBZECSE-ZIAGYGMSSA-N 1 2 342.399 2.560 10 5 EFBELO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000358200330 475483455 /nfs/dbraw/zinc/48/34/55/475483455.db2.gz ZUDCWYJYBZECSE-ZIAGYGMSSA-N 1 2 342.399 2.560 10 5 EFBELO 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EFBELO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCCC12CCC2 ZINC000365630500 476654653 /nfs/dbraw/zinc/65/46/53/476654653.db2.gz UMNDMGPPUVEAEC-UHFFFAOYSA-N 1 2 326.356 2.939 10 5 EFBELO CC(=O)c1cc([N+](=O)[O-])ccc1NCc1cccnc1-n1cc[nH+]c1 ZINC000378014384 476671970 /nfs/dbraw/zinc/67/19/70/476671970.db2.gz ZHZBXHFYISDETO-UHFFFAOYSA-N 1 2 337.339 2.990 10 5 EFBELO C[C@@H]1[C@@H](O)CCC[N@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000384730852 476758071 /nfs/dbraw/zinc/75/80/71/476758071.db2.gz JMAIERJDHMKGRR-RNCFNFMXSA-N 1 2 329.194 2.703 10 5 EFBELO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000451913870 476723113 /nfs/dbraw/zinc/72/31/13/476723113.db2.gz TUCFJTJXPPKZHL-BXKDBHETSA-N 1 2 338.713 2.993 10 5 EFBELO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000451913870 476723120 /nfs/dbraw/zinc/72/31/20/476723120.db2.gz TUCFJTJXPPKZHL-BXKDBHETSA-N 1 2 338.713 2.993 10 5 EFBELO C[C@@H]1[C@@H](O)CCC[N@@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000384730852 476758067 /nfs/dbraw/zinc/75/80/67/476758067.db2.gz JMAIERJDHMKGRR-RNCFNFMXSA-N 1 2 329.194 2.703 10 5 EFBELO C[C@H]1[C@@H](O)CCC[N@@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000384730854 476757954 /nfs/dbraw/zinc/75/79/54/476757954.db2.gz JMAIERJDHMKGRR-ZANVPECISA-N 1 2 329.194 2.703 10 5 EFBELO C[C@H]1[C@@H](O)CCC[N@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000384730854 476757962 /nfs/dbraw/zinc/75/79/62/476757962.db2.gz JMAIERJDHMKGRR-ZANVPECISA-N 1 2 329.194 2.703 10 5 EFBELO Cc1nccnc1N1CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000370536015 476860592 /nfs/dbraw/zinc/86/05/92/476860592.db2.gz OKJYFWMUNPUXTN-AWEZNQCLSA-N 1 2 327.388 2.576 10 5 EFBELO C[C@@]1(F)CCCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000452211232 476884570 /nfs/dbraw/zinc/88/45/70/476884570.db2.gz YOIKWXZUKFZHJK-MRXNPFEDSA-N 1 2 332.335 2.745 10 5 EFBELO C[C@H]1C[C@@H](O)C[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000401917915 476906006 /nfs/dbraw/zinc/90/60/06/476906006.db2.gz VBLGBPFMVDXSKI-JOYOIKCWSA-N 1 2 329.194 2.560 10 5 EFBELO C[C@H]1C[C@@H](O)C[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000401917915 476906009 /nfs/dbraw/zinc/90/60/09/476906009.db2.gz VBLGBPFMVDXSKI-JOYOIKCWSA-N 1 2 329.194 2.560 10 5 EFBELO CC(C)(C)C1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000457326363 476975569 /nfs/dbraw/zinc/97/55/69/476975569.db2.gz IQAUBGHDJGFDFD-UHFFFAOYSA-N 1 2 328.372 2.899 10 5 EFBELO CCc1ccc([C@H]([NH2+][C@H](CC)C(=O)NC)c2ccc([N+](=O)[O-])cc2)o1 ZINC000453394411 477221736 /nfs/dbraw/zinc/22/17/36/477221736.db2.gz GBFTZAHVHRSLCW-NVXWUHKLSA-N 1 2 345.399 2.954 10 5 EFBELO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@]2(CCO[C@H](C)C2)O1 ZINC000367225723 477403632 /nfs/dbraw/zinc/40/36/32/477403632.db2.gz RNDINHMFTJOHOY-PBFPGSCMSA-N 1 2 338.379 2.892 10 5 EFBELO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@]2(CCO[C@H](C)C2)O1 ZINC000367225723 477403641 /nfs/dbraw/zinc/40/36/41/477403641.db2.gz RNDINHMFTJOHOY-PBFPGSCMSA-N 1 2 338.379 2.892 10 5 EFBELO Cc1cn2c([nH+]1)CN(C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)CC2 ZINC000371745923 477475976 /nfs/dbraw/zinc/47/59/76/477475976.db2.gz ZUJROEOZTHGFEW-GFCCVEGCSA-N 1 2 346.412 2.623 10 5 EFBELO C[C@@H]1C[C@H]1N1C[C@@H](Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1=O ZINC000413170688 477552596 /nfs/dbraw/zinc/55/25/96/477552596.db2.gz OCFCCFHDAWLLBV-IFUGULHKSA-N 1 2 326.356 2.564 10 5 EFBELO CC[C@@H]1CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C[C@]2(CCOC2)O1 ZINC000413276042 477603683 /nfs/dbraw/zinc/60/36/83/477603683.db2.gz YEEGBLVXXIPCDX-QAPCUYQASA-N 1 2 343.383 2.917 10 5 EFBELO O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000367632926 477611757 /nfs/dbraw/zinc/61/17/57/477611757.db2.gz FYCJQFYBISGHAN-AWEZNQCLSA-N 1 2 347.415 2.827 10 5 EFBELO O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000367632926 477611765 /nfs/dbraw/zinc/61/17/65/477611765.db2.gz FYCJQFYBISGHAN-AWEZNQCLSA-N 1 2 347.415 2.827 10 5 EFBELO O=c1c(Cl)cc([N+](=O)[O-])cn1Cc1c[nH+]cn1Cc1ccccc1 ZINC000437606059 477727823 /nfs/dbraw/zinc/72/78/23/477727823.db2.gz SHDMIMLKKMKKCU-UHFFFAOYSA-N 1 2 344.758 2.703 10 5 EFBELO CC[C@@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)c1cccc([N+](=O)[O-])c1 ZINC000372326006 477757225 /nfs/dbraw/zinc/75/72/25/477757225.db2.gz MTFPTOJFGJUXIM-DZGCQCFKSA-N 1 2 328.372 2.621 10 5 EFBELO Cc1cc(CNS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)cc(C)[nH+]1 ZINC000420702802 477766952 /nfs/dbraw/zinc/76/69/52/477766952.db2.gz SZZLEDGKYUBSBH-UHFFFAOYSA-N 1 2 349.412 2.702 10 5 EFBELO CCOc1ccc(C(=O)N[C@H](C)c2[nH+]ccn2CC)cc1[N+](=O)[O-] ZINC000456374330 477894287 /nfs/dbraw/zinc/89/42/87/477894287.db2.gz GMTNTFRPSSSESS-LLVKDONJSA-N 1 2 332.360 2.701 10 5 EFBELO COC(=O)c1oc(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cc1C ZINC000559503742 477986781 /nfs/dbraw/zinc/98/67/81/477986781.db2.gz YBLIMPCGRIINMK-UHFFFAOYSA-N 1 2 330.340 2.841 10 5 EFBELO COC(=O)c1oc(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cc1C ZINC000559503742 477986790 /nfs/dbraw/zinc/98/67/90/477986790.db2.gz YBLIMPCGRIINMK-UHFFFAOYSA-N 1 2 330.340 2.841 10 5 EFBELO O=[N+]([O-])c1ccc(C[NH+]2CCC(Oc3cnccn3)CC2)c(F)c1 ZINC000488752588 478178543 /nfs/dbraw/zinc/17/85/43/478178543.db2.gz YIQXUPHCNYFZGI-UHFFFAOYSA-N 1 2 332.335 2.567 10 5 EFBELO Cc1cccn2cc(CC(=O)N[C@@H](C)c3ccccc3[N+](=O)[O-])[nH+]c12 ZINC000537146078 478288350 /nfs/dbraw/zinc/28/83/50/478288350.db2.gz NZLODRDIICDQBI-ZDUSSCGKSA-N 1 2 338.367 2.971 10 5 EFBELO C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C[C@H]1F ZINC000590698323 478296427 /nfs/dbraw/zinc/29/64/27/478296427.db2.gz DRXZDVQMDNXEDD-DGCLKSJQSA-N 1 2 332.335 2.601 10 5 EFBELO Cc1nc(N)c(CNC(=O)c2cc3ccccc3c3cccnc23)c[nH+]1 ZINC000580596062 478366028 /nfs/dbraw/zinc/36/60/28/478366028.db2.gz KZIYWTRHIYZQCI-UHFFFAOYSA-N 1 2 343.390 2.829 10 5 EFBELO C[C@H](CNc1ncc(Cl)cc1[N+](=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594591160 478452822 /nfs/dbraw/zinc/45/28/22/478452822.db2.gz FYUYOYMSTJWAPQ-MXWKQRLJSA-N 1 2 328.800 2.553 10 5 EFBELO C[C@H](CNc1ncc(Cl)cc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594591160 478452831 /nfs/dbraw/zinc/45/28/31/478452831.db2.gz FYUYOYMSTJWAPQ-MXWKQRLJSA-N 1 2 328.800 2.553 10 5 EFBELO C[C@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cscn1 ZINC000594710370 478507461 /nfs/dbraw/zinc/50/74/61/478507461.db2.gz IDIQRXSWDHWNBT-GXFFZTMASA-N 1 2 332.385 2.507 10 5 EFBELO O=C(c1ccc([N+](=O)[O-])cn1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000541238981 478543219 /nfs/dbraw/zinc/54/32/19/478543219.db2.gz ZGURJQPEVGGITC-UHFFFAOYSA-N 1 2 343.387 2.519 10 5 EFBELO CC[C@H]1C[NH+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C[C@H](CC)O1 ZINC000591505184 478570135 /nfs/dbraw/zinc/57/01/35/478570135.db2.gz ADCIJIOZYNJFGX-GJZGRUSLSA-N 1 2 336.388 2.771 10 5 EFBELO COC[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000594969081 478611616 /nfs/dbraw/zinc/61/16/16/478611616.db2.gz MFSUCUPDXBPLHS-MRXNPFEDSA-N 1 2 332.356 2.786 10 5 EFBELO Cn1cc(C[C@H]2CCC[C@H]2[NH2+]Cc2cc(O)ccc2[N+](=O)[O-])cn1 ZINC000594979365 478615176 /nfs/dbraw/zinc/61/51/76/478615176.db2.gz JXYALAIYCPNSDA-CZUORRHYSA-N 1 2 330.388 2.535 10 5 EFBELO Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]Cc2cc(O)ccc2[N+](=O)[O-])cn1 ZINC000594979361 478615217 /nfs/dbraw/zinc/61/52/17/478615217.db2.gz JXYALAIYCPNSDA-BBRMVZONSA-N 1 2 330.388 2.535 10 5 EFBELO Cn1ccnc1[C@@H]([NH2+][C@@H]1COC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000595047929 478640638 /nfs/dbraw/zinc/64/06/38/478640638.db2.gz ICVPOGZRVLQPIM-ZFWWWQNUSA-N 1 2 330.388 2.575 10 5 EFBELO Cn1ccnc1[C@@H]([NH2+][C@H]1COC(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000595051422 478641877 /nfs/dbraw/zinc/64/18/77/478641877.db2.gz UKWGKRWDEMUJIA-HIFRSBDPSA-N 1 2 330.388 2.575 10 5 EFBELO Cn1ccnc1[C@@H]([NH2+][C@@H]1COC(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000595051426 478641970 /nfs/dbraw/zinc/64/19/70/478641970.db2.gz UKWGKRWDEMUJIA-ZFWWWQNUSA-N 1 2 330.388 2.575 10 5 EFBELO O=[N+]([O-])c1cc(F)cnc1NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000601103233 478656686 /nfs/dbraw/zinc/65/66/86/478656686.db2.gz QRYFQJABVQTJGB-INIZCTEOSA-N 1 2 346.362 2.614 10 5 EFBELO O=[N+]([O-])c1cc(F)cnc1Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000601109112 478661566 /nfs/dbraw/zinc/66/15/66/478661566.db2.gz RHPGHNNCIMEUJK-UHFFFAOYSA-N 1 2 332.335 2.705 10 5 EFBELO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000601125607 478673408 /nfs/dbraw/zinc/67/34/08/478673408.db2.gz OTOVEZSJAVPHMG-QMMMGPOBSA-N 1 2 344.297 2.802 10 5 EFBELO C[C@](CO)([NH2+]Cc1nc2c(s1)CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000601150045 478689788 /nfs/dbraw/zinc/68/97/88/478689788.db2.gz SPVQEXABTPLLDW-QGZVFWFLSA-N 1 2 347.440 2.927 10 5 EFBELO C[C@@](CO)([NH2+]Cc1csc(C2CC2)n1)c1cccc([N+](=O)[O-])c1 ZINC000601149144 478689879 /nfs/dbraw/zinc/68/98/79/478689879.db2.gz JPSXSWXMEFDTDO-INIZCTEOSA-N 1 2 333.413 2.926 10 5 EFBELO C[C@@](CO)([NH2+]Cc1ncc(Cl)s1)c1cccc([N+](=O)[O-])c1 ZINC000601150362 478691623 /nfs/dbraw/zinc/69/16/23/478691623.db2.gz WFGVAOBSGOHFRA-ZDUSSCGKSA-N 1 2 327.793 2.702 10 5 EFBELO O=C(NCCCCn1cc[nH+]c1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601163095 478698931 /nfs/dbraw/zinc/69/89/31/478698931.db2.gz CNPVCROEIKJLNZ-UHFFFAOYSA-N 1 2 342.399 2.810 10 5 EFBELO O=C(NC[C@@H]1CCC[C@H]2C[C@H]21)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000598209333 478705583 /nfs/dbraw/zinc/70/55/83/478705583.db2.gz SYJVEESEUNRFRL-AEGPPILISA-N 1 2 340.383 2.947 10 5 EFBELO C[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1(F)F ZINC000598217669 478708524 /nfs/dbraw/zinc/70/85/24/478708524.db2.gz VWDWVVNMTCLAGT-AWEZNQCLSA-N 1 2 336.298 2.556 10 5 EFBELO CN(C)c1c[nH+]cc(Nc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)c1 ZINC000601214427 478727516 /nfs/dbraw/zinc/72/75/16/478727516.db2.gz VVHLFYURLARNDN-UHFFFAOYSA-N 1 2 330.270 2.552 10 5 EFBELO O=[N+]([O-])c1cc(F)cnc1NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000601240453 478742839 /nfs/dbraw/zinc/74/28/39/478742839.db2.gz IHBQCIORPWIHNF-UHFFFAOYSA-N 1 2 349.391 2.689 10 5 EFBELO C[C@@H]1C[C@H]([NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)[C@H](C)O1 ZINC000601299347 478772772 /nfs/dbraw/zinc/77/27/72/478772772.db2.gz PMQFMLYLWSYHQR-GUYJKWIASA-N 1 2 330.388 2.573 10 5 EFBELO C[C@@H]1C[C@H]([NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)[C@H](C)O1 ZINC000601299348 478773506 /nfs/dbraw/zinc/77/35/06/478773506.db2.gz PMQFMLYLWSYHQR-KNPMLCFXSA-N 1 2 330.388 2.573 10 5 EFBELO Cc1noc(C[N@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)n1 ZINC000592130329 478787637 /nfs/dbraw/zinc/78/76/37/478787637.db2.gz CDMDYFAAQBNYFW-SHTZXODSSA-N 1 2 346.387 2.592 10 5 EFBELO Cc1noc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)n1 ZINC000592130329 478787644 /nfs/dbraw/zinc/78/76/44/478787644.db2.gz CDMDYFAAQBNYFW-SHTZXODSSA-N 1 2 346.387 2.592 10 5 EFBELO O=[N+]([O-])c1ccccc1C[N@@H+](Cc1cc[nH]n1)[C@H]1CC[C@H](O)CC1 ZINC000592132872 478789353 /nfs/dbraw/zinc/78/93/53/478789353.db2.gz OQEBWDBMZXELPS-WKILWMFISA-N 1 2 330.388 2.624 10 5 EFBELO O=[N+]([O-])c1ccccc1C[N@H+](Cc1cc[nH]n1)[C@H]1CC[C@H](O)CC1 ZINC000592132872 478789359 /nfs/dbraw/zinc/78/93/59/478789359.db2.gz OQEBWDBMZXELPS-WKILWMFISA-N 1 2 330.388 2.624 10 5 EFBELO CCc1nnc(C2CC[NH+](Cc3ccc(F)cc3[N+](=O)[O-])CC2)[nH]1 ZINC000595453433 478794970 /nfs/dbraw/zinc/79/49/70/478794970.db2.gz GFJVBJVTQWJETP-UHFFFAOYSA-N 1 2 333.367 2.794 10 5 EFBELO CCc1n[nH]c(C2CC[NH+](Cc3ccc(F)cc3[N+](=O)[O-])CC2)n1 ZINC000595453433 478794979 /nfs/dbraw/zinc/79/49/79/478794979.db2.gz GFJVBJVTQWJETP-UHFFFAOYSA-N 1 2 333.367 2.794 10 5 EFBELO CCc1nc(C2CC[NH+](Cc3ccc(F)cc3[N+](=O)[O-])CC2)n[nH]1 ZINC000595453433 478794982 /nfs/dbraw/zinc/79/49/82/478794982.db2.gz GFJVBJVTQWJETP-UHFFFAOYSA-N 1 2 333.367 2.794 10 5 EFBELO C[C@@H]1C[C@@]2(CCO1)C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@H](C)O2 ZINC000595476447 478807178 /nfs/dbraw/zinc/80/71/78/478807178.db2.gz RCUXYHITMOCIJE-IGCXYCKISA-N 1 2 338.379 2.892 10 5 EFBELO C[C@@H]1C[C@@]2(CCO1)C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@H](C)O2 ZINC000595476447 478807185 /nfs/dbraw/zinc/80/71/85/478807185.db2.gz RCUXYHITMOCIJE-IGCXYCKISA-N 1 2 338.379 2.892 10 5 EFBELO COC(=O)c1cccc2c1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC000592164096 478807274 /nfs/dbraw/zinc/80/72/74/478807274.db2.gz YKEWJQWYVJQDGK-UHFFFAOYSA-N 1 2 326.352 2.940 10 5 EFBELO COC(=O)c1cccc2c1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC000592164096 478807283 /nfs/dbraw/zinc/80/72/83/478807283.db2.gz YKEWJQWYVJQDGK-UHFFFAOYSA-N 1 2 326.352 2.940 10 5 EFBELO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3cncc(Cl)c3)CC2)c1 ZINC000598588854 478913671 /nfs/dbraw/zinc/91/36/71/478913671.db2.gz LTOGNCOZCLXLGR-UHFFFAOYSA-N 1 2 332.791 2.965 10 5 EFBELO CO[C@@]1(CO)CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000595658416 478920785 /nfs/dbraw/zinc/92/07/85/478920785.db2.gz IPSHKNLNDZRKPH-AWEZNQCLSA-N 1 2 348.321 2.587 10 5 EFBELO CO[C@@]1(CO)CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000595658416 478920788 /nfs/dbraw/zinc/92/07/88/478920788.db2.gz IPSHKNLNDZRKPH-AWEZNQCLSA-N 1 2 348.321 2.587 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CS(=O)(=O)Cc2ccccc21 ZINC000598677651 478964936 /nfs/dbraw/zinc/96/49/36/478964936.db2.gz QUMKVPDKAHMEIL-KRWDZBQOSA-N 1 2 346.408 2.663 10 5 EFBELO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC2(CCCC2)OC[C@@H]1C ZINC000595816423 479013761 /nfs/dbraw/zinc/01/37/61/479013761.db2.gz WZPYENKOUQFONE-AWEZNQCLSA-N 1 2 347.415 2.875 10 5 EFBELO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC2(CCCC2)OC[C@@H]1C ZINC000595816423 479013770 /nfs/dbraw/zinc/01/37/70/479013770.db2.gz WZPYENKOUQFONE-AWEZNQCLSA-N 1 2 347.415 2.875 10 5 EFBELO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC2(CCCC2)OC[C@H]1C ZINC000595816427 479014276 /nfs/dbraw/zinc/01/42/76/479014276.db2.gz WZPYENKOUQFONE-CQSZACIVSA-N 1 2 347.415 2.875 10 5 EFBELO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC2(CCCC2)OC[C@H]1C ZINC000595816427 479014280 /nfs/dbraw/zinc/01/42/80/479014280.db2.gz WZPYENKOUQFONE-CQSZACIVSA-N 1 2 347.415 2.875 10 5 EFBELO O=[N+]([O-])c1cc(C[N@@H+]2CCOCC23CCCCC3)c2c(c1)COCO2 ZINC000573435621 479063822 /nfs/dbraw/zinc/06/38/22/479063822.db2.gz DTGNOSJXGKZCFZ-UHFFFAOYSA-N 1 2 348.399 2.996 10 5 EFBELO O=[N+]([O-])c1cc(C[N@H+]2CCOCC23CCCCC3)c2c(c1)COCO2 ZINC000573435621 479063830 /nfs/dbraw/zinc/06/38/30/479063830.db2.gz DTGNOSJXGKZCFZ-UHFFFAOYSA-N 1 2 348.399 2.996 10 5 EFBELO C[C@@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@](C)(C(F)F)O1 ZINC000595920963 479073530 /nfs/dbraw/zinc/07/35/30/479073530.db2.gz VOKDMBLHKIMNSY-IAQYHMDHSA-N 1 2 330.331 2.718 10 5 EFBELO C[C@@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@](C)(C(F)F)O1 ZINC000595920963 479073535 /nfs/dbraw/zinc/07/35/35/479073535.db2.gz VOKDMBLHKIMNSY-IAQYHMDHSA-N 1 2 330.331 2.718 10 5 EFBELO COc1cc(C[N@@H+]2C[C@H](C)O[C@@](C)(C(F)F)C2)ccc1[N+](=O)[O-] ZINC000595921938 479075889 /nfs/dbraw/zinc/07/58/89/479075889.db2.gz ZKELOABQLJSCIX-ZUZCIYMTSA-N 1 2 330.331 2.848 10 5 EFBELO COc1cc(C[N@H+]2C[C@H](C)O[C@@](C)(C(F)F)C2)ccc1[N+](=O)[O-] ZINC000595921938 479075890 /nfs/dbraw/zinc/07/58/90/479075890.db2.gz ZKELOABQLJSCIX-ZUZCIYMTSA-N 1 2 330.331 2.848 10 5 EFBELO C[C@@H]1C(=O)Nc2ccccc2C[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000598947508 479096079 /nfs/dbraw/zinc/09/60/79/479096079.db2.gz CKBUGIULTISDMN-CYBMUJFWSA-N 1 2 341.367 2.816 10 5 EFBELO C[C@@H]1C(=O)Nc2ccccc2C[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000598947508 479096086 /nfs/dbraw/zinc/09/60/86/479096086.db2.gz CKBUGIULTISDMN-CYBMUJFWSA-N 1 2 341.367 2.816 10 5 EFBELO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H]1CCCCN(C)C1=O ZINC000601968714 479101479 /nfs/dbraw/zinc/10/14/79/479101479.db2.gz GKXBORCTZPQHLM-INIZCTEOSA-N 1 2 349.431 2.825 10 5 EFBELO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@H]1CCCCN(C)C1=O ZINC000601968714 479101487 /nfs/dbraw/zinc/10/14/87/479101487.db2.gz GKXBORCTZPQHLM-INIZCTEOSA-N 1 2 349.431 2.825 10 5 EFBELO CC(C)(C)C(F)(F)C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000596070630 479120009 /nfs/dbraw/zinc/12/00/09/479120009.db2.gz QPNZOSOUXDMLTI-NSHDSACASA-N 1 2 332.347 2.606 10 5 EFBELO Cc1cc(C2([NH2+]Cc3ccc([N+](=O)[O-])cc3F)CCOCC2)on1 ZINC000599019104 479127837 /nfs/dbraw/zinc/12/78/37/479127837.db2.gz COAPMCWESNDAJM-UHFFFAOYSA-N 1 2 335.335 2.826 10 5 EFBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCOCC23CCCCC3)c1 ZINC000593030943 479135310 /nfs/dbraw/zinc/13/53/10/479135310.db2.gz SRJJLASEUADQCZ-UHFFFAOYSA-N 1 2 348.399 2.917 10 5 EFBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCOCC23CCCCC3)c1 ZINC000593030943 479135316 /nfs/dbraw/zinc/13/53/16/479135316.db2.gz SRJJLASEUADQCZ-UHFFFAOYSA-N 1 2 348.399 2.917 10 5 EFBELO CC(C)c1nncn1CCNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599056686 479141433 /nfs/dbraw/zinc/14/14/33/479141433.db2.gz YVINVYDHPFQRCZ-UHFFFAOYSA-N 1 2 326.360 2.970 10 5 EFBELO CS(=O)(=O)CCCCCNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599069993 479147388 /nfs/dbraw/zinc/14/73/88/479147388.db2.gz JFBOKFYIZZBOJN-UHFFFAOYSA-N 1 2 337.401 2.770 10 5 EFBELO CC[C@@H]1C[N@H+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])[C@@H](CC)CO1 ZINC000593057326 479148643 /nfs/dbraw/zinc/14/86/43/479148643.db2.gz FNDNJQFYIOWQPY-LSDHHAIUSA-N 1 2 336.388 2.771 10 5 EFBELO CC[C@@H]1C[N@@H+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])[C@@H](CC)CO1 ZINC000593057326 479148649 /nfs/dbraw/zinc/14/86/49/479148649.db2.gz FNDNJQFYIOWQPY-LSDHHAIUSA-N 1 2 336.388 2.771 10 5 EFBELO CCO[C@@]1(C)C[C@H]1[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000599071969 479148830 /nfs/dbraw/zinc/14/88/30/479148830.db2.gz DCWRYRAFXYPULP-INMHGKMJSA-N 1 2 330.388 2.575 10 5 EFBELO Cn1cc([C@@H]2C[N@H+](Cc3cc(O)ccc3[N+](=O)[O-])CC2(C)C)cn1 ZINC000573814704 479151626 /nfs/dbraw/zinc/15/16/26/479151626.db2.gz ULQDSKCPVCBNQE-HNNXBMFYSA-N 1 2 330.388 2.660 10 5 EFBELO Cn1cc([C@@H]2C[N@@H+](Cc3cc(O)ccc3[N+](=O)[O-])CC2(C)C)cn1 ZINC000573814704 479151635 /nfs/dbraw/zinc/15/16/35/479151635.db2.gz ULQDSKCPVCBNQE-HNNXBMFYSA-N 1 2 330.388 2.660 10 5 EFBELO CS(=O)(=O)C1(CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CCC1 ZINC000599075871 479152615 /nfs/dbraw/zinc/15/26/15/479152615.db2.gz AQQWXHWJCWYKGW-UHFFFAOYSA-N 1 2 335.385 2.522 10 5 EFBELO C[C@@H]1OCC[C@]12CN(c1ccc3c[nH+]ccc3c1[N+](=O)[O-])C[C@@H](C)O2 ZINC000599078928 479152789 /nfs/dbraw/zinc/15/27/89/479152789.db2.gz KNIKTACXQNJACR-VBHSOAQHSA-N 1 2 343.383 2.916 10 5 EFBELO Cn1ccnc1[C@H]([NH2+][C@@H]1CO[C@@H](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000599085639 479154658 /nfs/dbraw/zinc/15/46/58/479154658.db2.gz UUJAFDOFQZELDM-USXIJHARSA-N 1 2 342.399 2.575 10 5 EFBELO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000599087608 479156575 /nfs/dbraw/zinc/15/65/75/479156575.db2.gz LDSDGEYYLKIXQU-IINYFYTJSA-N 1 2 341.289 2.893 10 5 EFBELO CNC(=O)c1ccc(N2CC[C@@H](c3cc(C)cc[nH+]3)C2)c([N+](=O)[O-])c1 ZINC000599101540 479161738 /nfs/dbraw/zinc/16/17/38/479161738.db2.gz QQHDEXYZABUXQJ-CQSZACIVSA-N 1 2 340.383 2.652 10 5 EFBELO CO[C@@H]1C[C@@H](c2nc(C)no2)[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000573870463 479163718 /nfs/dbraw/zinc/16/37/18/479163718.db2.gz WQIPKJGZRAKYIF-UYTOFJLZSA-N 1 2 344.371 2.761 10 5 EFBELO CO[C@@H]1C[C@@H](c2nc(C)no2)[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000573870463 479163721 /nfs/dbraw/zinc/16/37/21/479163721.db2.gz WQIPKJGZRAKYIF-UYTOFJLZSA-N 1 2 344.371 2.761 10 5 EFBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2C[C@@H](C)OCC23CCC3)c1 ZINC000593092052 479169892 /nfs/dbraw/zinc/16/98/92/479169892.db2.gz MFLWULRDGDYRLP-GFCCVEGCSA-N 1 2 334.372 2.525 10 5 EFBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@@H](C)OCC23CCC3)c1 ZINC000593092052 479169899 /nfs/dbraw/zinc/16/98/99/479169899.db2.gz MFLWULRDGDYRLP-GFCCVEGCSA-N 1 2 334.372 2.525 10 5 EFBELO C[C@@H]1C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C2(CCC2)CO1 ZINC000593093882 479171865 /nfs/dbraw/zinc/17/18/65/479171865.db2.gz WCRLMIIDZVSYSH-GFCCVEGCSA-N 1 2 344.371 2.788 10 5 EFBELO C[C@@H]1C[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C2(CCC2)CO1 ZINC000593093882 479171876 /nfs/dbraw/zinc/17/18/76/479171876.db2.gz WCRLMIIDZVSYSH-GFCCVEGCSA-N 1 2 344.371 2.788 10 5 EFBELO C[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C2(CCC2)CO1 ZINC000593093899 479172207 /nfs/dbraw/zinc/17/22/07/479172207.db2.gz WIANLUBBWXBKSH-GFCCVEGCSA-N 1 2 334.372 2.605 10 5 EFBELO C[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C2(CCC2)CO1 ZINC000593093899 479172216 /nfs/dbraw/zinc/17/22/16/479172216.db2.gz WIANLUBBWXBKSH-GFCCVEGCSA-N 1 2 334.372 2.605 10 5 EFBELO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000593116270 479183212 /nfs/dbraw/zinc/18/32/12/479183212.db2.gz HACBPQUNVHRXID-CQSZACIVSA-N 1 2 325.315 2.573 10 5 EFBELO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000593116270 479183217 /nfs/dbraw/zinc/18/32/17/479183217.db2.gz HACBPQUNVHRXID-CQSZACIVSA-N 1 2 325.315 2.573 10 5 EFBELO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CS(=O)(=O)c2ccccc21 ZINC000573981874 479189195 /nfs/dbraw/zinc/18/91/95/479189195.db2.gz ZGLCKUOMYDWALI-LSDHHAIUSA-N 1 2 344.392 2.700 10 5 EFBELO Cc1cc(N2CCO[C@H](CCF)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000599168442 479193148 /nfs/dbraw/zinc/19/31/48/479193148.db2.gz DUMDJVDYEPBZRO-OAHLLOKOSA-N 1 2 346.362 2.925 10 5 EFBELO CCc1cc(NC[C@H]2C[C@@H](OC)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000599205086 479208322 /nfs/dbraw/zinc/20/83/22/479208322.db2.gz DBSDOLGSLSABFK-DRQUAOQDSA-N 1 2 342.399 2.873 10 5 EFBELO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1ccc2[nH+]ccn2c1 ZINC000611149934 479294836 /nfs/dbraw/zinc/29/48/36/479294836.db2.gz OCPPNXLJFKXZJG-UHFFFAOYSA-N 1 2 335.323 2.905 10 5 EFBELO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](C(F)F)C2)c([N+](=O)[O-])c1 ZINC000611179949 479303735 /nfs/dbraw/zinc/30/37/35/479303735.db2.gz OICUMVFZVVNTBT-NXEZZACHSA-N 1 2 343.330 2.517 10 5 EFBELO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](C(F)F)C2)c([N+](=O)[O-])c1 ZINC000611179949 479303739 /nfs/dbraw/zinc/30/37/39/479303739.db2.gz OICUMVFZVVNTBT-NXEZZACHSA-N 1 2 343.330 2.517 10 5 EFBELO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C(F)F)C2)c([N+](=O)[O-])c1 ZINC000611179950 479303908 /nfs/dbraw/zinc/30/39/08/479303908.db2.gz OICUMVFZVVNTBT-UWVGGRQHSA-N 1 2 343.330 2.517 10 5 EFBELO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](C(F)F)C2)c([N+](=O)[O-])c1 ZINC000611179950 479303912 /nfs/dbraw/zinc/30/39/12/479303912.db2.gz OICUMVFZVVNTBT-UWVGGRQHSA-N 1 2 343.330 2.517 10 5 EFBELO Cc1cc(N2C[C@H](C)C(O)[C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000596462870 479304965 /nfs/dbraw/zinc/30/49/65/479304965.db2.gz LUHXHEJUADGFAX-RYUDHWBXSA-N 1 2 342.399 2.813 10 5 EFBELO O=C(Nc1ccc2[nH+]ccn2c1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000611205936 479309830 /nfs/dbraw/zinc/30/98/30/479309830.db2.gz XOBBXFLTKASFEX-UHFFFAOYSA-N 1 2 348.322 2.681 10 5 EFBELO COC(=O)c1c(Cl)c(N[C@H](C)c2[nH+]ccn2C)ccc1[N+](=O)[O-] ZINC000596542218 479334058 /nfs/dbraw/zinc/33/40/58/479334058.db2.gz LIZZIUXQAJOGTA-MRVPVSSYSA-N 1 2 338.751 2.941 10 5 EFBELO O=[N+]([O-])c1ccc2c(c1)nccc2N1CCC[N@H+](CC(F)F)CC1 ZINC000593463948 479351929 /nfs/dbraw/zinc/35/19/29/479351929.db2.gz AAVUBNXASJEJNI-UHFFFAOYSA-N 1 2 336.342 2.920 10 5 EFBELO O=[N+]([O-])c1ccc2c(c1)nccc2N1CCC[N@@H+](CC(F)F)CC1 ZINC000593463948 479351931 /nfs/dbraw/zinc/35/19/31/479351931.db2.gz AAVUBNXASJEJNI-UHFFFAOYSA-N 1 2 336.342 2.920 10 5 EFBELO O=[N+]([O-])c1cnn(CC[N@@H+]2CCc3c(cccc3C(F)(F)F)C2)c1 ZINC000599612589 479352132 /nfs/dbraw/zinc/35/21/32/479352132.db2.gz AGVGPXYVHMQFIM-UHFFFAOYSA-N 1 2 340.305 2.868 10 5 EFBELO O=[N+]([O-])c1cnn(CC[N@H+]2CCc3c(cccc3C(F)(F)F)C2)c1 ZINC000599612589 479352141 /nfs/dbraw/zinc/35/21/41/479352141.db2.gz AGVGPXYVHMQFIM-UHFFFAOYSA-N 1 2 340.305 2.868 10 5 EFBELO CCOc1cc(C[N@@H+]2CCC[C@@H]2c2ccc(=O)[nH]n2)ccc1[N+](=O)[O-] ZINC000599643193 479365076 /nfs/dbraw/zinc/36/50/76/479365076.db2.gz ZMIAPWXGZAOHSK-CQSZACIVSA-N 1 2 344.371 2.826 10 5 EFBELO CCOc1cc(C[N@H+]2CCC[C@@H]2c2ccc(=O)[nH]n2)ccc1[N+](=O)[O-] ZINC000599643193 479365079 /nfs/dbraw/zinc/36/50/79/479365079.db2.gz ZMIAPWXGZAOHSK-CQSZACIVSA-N 1 2 344.371 2.826 10 5 EFBELO COc1cc(C[N@@H+]2CCC[C@H]2c2ccc(=O)[nH]n2)c([N+](=O)[O-])cc1F ZINC000599641688 479365433 /nfs/dbraw/zinc/36/54/33/479365433.db2.gz OEYODNOAEZTJMX-ZDUSSCGKSA-N 1 2 348.334 2.575 10 5 EFBELO COc1cc(C[N@H+]2CCC[C@H]2c2ccc(=O)[nH]n2)c([N+](=O)[O-])cc1F ZINC000599641688 479365439 /nfs/dbraw/zinc/36/54/39/479365439.db2.gz OEYODNOAEZTJMX-ZDUSSCGKSA-N 1 2 348.334 2.575 10 5 EFBELO CC(=O)c1ccc(N[C@@H]2C[C@H]([NH+]3CCOCC3)C2(C)C)c([N+](=O)[O-])c1 ZINC000603401165 479371961 /nfs/dbraw/zinc/37/19/61/479371961.db2.gz ZZXJQGKVUABCLI-SJORKVTESA-N 1 2 347.415 2.709 10 5 EFBELO COC[C@]1(C)C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)CCO1 ZINC000599692999 479394308 /nfs/dbraw/zinc/39/43/08/479394308.db2.gz NBOKONQZFGLCBL-KRWDZBQOSA-N 1 2 338.404 2.619 10 5 EFBELO COC[C@]1(C)C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)CCO1 ZINC000599692999 479394314 /nfs/dbraw/zinc/39/43/14/479394314.db2.gz NBOKONQZFGLCBL-KRWDZBQOSA-N 1 2 338.404 2.619 10 5 EFBELO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@H](OC(F)F)C3)nc2c1 ZINC000611578478 479423113 /nfs/dbraw/zinc/42/31/13/479423113.db2.gz FNWDQVGJWXSRMY-JTQLQIEISA-N 1 2 327.287 2.940 10 5 EFBELO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@H](OC(F)F)C3)nc2c1 ZINC000611578478 479423120 /nfs/dbraw/zinc/42/31/20/479423120.db2.gz FNWDQVGJWXSRMY-JTQLQIEISA-N 1 2 327.287 2.940 10 5 EFBELO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC(C)(C)O[C@@H]2COC[C@H]21 ZINC000593697630 479427912 /nfs/dbraw/zinc/42/79/12/479427912.db2.gz NHUYGWCTBHOOLB-JRUQTEEESA-N 1 2 332.400 2.876 10 5 EFBELO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC(C)(C)O[C@@H]2COC[C@H]21 ZINC000593697630 479427914 /nfs/dbraw/zinc/42/79/14/479427914.db2.gz NHUYGWCTBHOOLB-JRUQTEEESA-N 1 2 332.400 2.876 10 5 EFBELO COc1cc(C[N@@H+]2CCC[C@H](OC(F)F)C2)c([N+](=O)[O-])cc1OC ZINC000611609638 479428109 /nfs/dbraw/zinc/42/81/09/479428109.db2.gz VZQLNPZBYNHIPI-NSHDSACASA-N 1 2 346.330 2.816 10 5 EFBELO COc1cc(C[N@H+]2CCC[C@H](OC(F)F)C2)c([N+](=O)[O-])cc1OC ZINC000611609638 479428115 /nfs/dbraw/zinc/42/81/15/479428115.db2.gz VZQLNPZBYNHIPI-NSHDSACASA-N 1 2 346.330 2.816 10 5 EFBELO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000596891917 479475542 /nfs/dbraw/zinc/47/55/42/479475542.db2.gz XVUMZLDKNVHAOZ-JTQLQIEISA-N 1 2 333.348 2.610 10 5 EFBELO O=[N+]([O-])c1cncc(Cl)c1NC1CCN(c2cccc[nH+]2)CC1 ZINC000589106044 479477912 /nfs/dbraw/zinc/47/79/12/479477912.db2.gz BQJHRXMHNYZKHJ-UHFFFAOYSA-N 1 2 333.779 2.541 10 5 EFBELO Cc1cn2c([nH+]1)C[C@@H](C(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])CC2 ZINC000599966159 479482746 /nfs/dbraw/zinc/48/27/46/479482746.db2.gz ONLZOTHXPSJNEL-ZDUSSCGKSA-N 1 2 342.399 2.714 10 5 EFBELO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCOCC4(CC4)C3)co2)cc1 ZINC000611813092 479491104 /nfs/dbraw/zinc/49/11/04/479491104.db2.gz BKFWPZFDIWLWHX-UHFFFAOYSA-N 1 2 329.356 2.862 10 5 EFBELO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCOCC4(CC4)C3)co2)cc1 ZINC000611813092 479491111 /nfs/dbraw/zinc/49/11/11/479491111.db2.gz BKFWPZFDIWLWHX-UHFFFAOYSA-N 1 2 329.356 2.862 10 5 EFBELO C[C@@H](NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])c1[nH+]ccn1C ZINC000596936874 479495751 /nfs/dbraw/zinc/49/57/51/479495751.db2.gz MKIBNPNNMBEMTJ-LLVKDONJSA-N 1 2 331.376 2.624 10 5 EFBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCOC[C@H]2CC(C)C)c1 ZINC000589497900 479534023 /nfs/dbraw/zinc/53/40/23/479534023.db2.gz GYENZQFFFNLFMD-OAHLLOKOSA-N 1 2 336.388 2.628 10 5 EFBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCOC[C@H]2CC(C)C)c1 ZINC000589497900 479534029 /nfs/dbraw/zinc/53/40/29/479534029.db2.gz GYENZQFFFNLFMD-OAHLLOKOSA-N 1 2 336.388 2.628 10 5 EFBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCO[C@@H](C(C)(C)C)C2)c1 ZINC000589514183 479535842 /nfs/dbraw/zinc/53/58/42/479535842.db2.gz HJWBAEVCILTWKY-OAHLLOKOSA-N 1 2 336.388 2.628 10 5 EFBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCO[C@@H](C(C)(C)C)C2)c1 ZINC000589514183 479535845 /nfs/dbraw/zinc/53/58/45/479535845.db2.gz HJWBAEVCILTWKY-OAHLLOKOSA-N 1 2 336.388 2.628 10 5 EFBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)Cc2cnccc2C)c1 ZINC000589515571 479537457 /nfs/dbraw/zinc/53/74/57/479537457.db2.gz ODJDMNASNVTPMO-UHFFFAOYSA-N 1 2 329.356 2.717 10 5 EFBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)Cc2cnccc2C)c1 ZINC000589515571 479537464 /nfs/dbraw/zinc/53/74/64/479537464.db2.gz ODJDMNASNVTPMO-UHFFFAOYSA-N 1 2 329.356 2.717 10 5 EFBELO C[C@@H]1C[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC2(CCCCC2)O1 ZINC000594057408 479571884 /nfs/dbraw/zinc/57/18/84/479571884.db2.gz CWEZLGIBCMEYIY-CQSZACIVSA-N 1 2 347.415 2.957 10 5 EFBELO C[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC2(CCCCC2)O1 ZINC000594057408 479571889 /nfs/dbraw/zinc/57/18/89/479571889.db2.gz CWEZLGIBCMEYIY-CQSZACIVSA-N 1 2 347.415 2.957 10 5 EFBELO O=[N+]([O-])c1ccc(C[N@@H+]2CCO[C@]3(CCSC3)C2)c(Cl)c1 ZINC000579226278 479676347 /nfs/dbraw/zinc/67/63/47/479676347.db2.gz BJZQBEWLRCFLLY-CQSZACIVSA-N 1 2 328.821 2.956 10 5 EFBELO O=[N+]([O-])c1ccc(C[N@H+]2CCO[C@]3(CCSC3)C2)c(Cl)c1 ZINC000579226278 479676349 /nfs/dbraw/zinc/67/63/49/479676349.db2.gz BJZQBEWLRCFLLY-CQSZACIVSA-N 1 2 328.821 2.956 10 5 EFBELO Cc1ccncc1C[N@@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000619433500 479787871 /nfs/dbraw/zinc/78/78/71/479787871.db2.gz ZRGFOUWGSAAYTB-UHFFFAOYSA-N 1 2 329.356 2.701 10 5 EFBELO Cc1ccncc1C[N@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000619433500 479787876 /nfs/dbraw/zinc/78/78/76/479787876.db2.gz ZRGFOUWGSAAYTB-UHFFFAOYSA-N 1 2 329.356 2.701 10 5 EFBELO CCOC(=O)c1cc(N2CCC[C@@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000610715372 480371909 /nfs/dbraw/zinc/37/19/09/480371909.db2.gz BDNPHMYSSRXANW-CQSZACIVSA-N 1 2 344.371 2.810 10 5 EFBELO CC(C)(NC(=O)[C@@H]1CCCn2cc[nH+]c21)c1ccc([N+](=O)[O-])cc1 ZINC000079754155 519312418 /nfs/dbraw/zinc/31/24/18/519312418.db2.gz UPAJQNJMQMQMRK-CQSZACIVSA-N 1 2 328.372 2.720 10 5 EFBELO Cc1cccc(C(=O)N2CCCN(c3cccc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000186486622 524174123 /nfs/dbraw/zinc/17/41/23/524174123.db2.gz PULQBLVHXKAPFY-UHFFFAOYSA-N 1 2 340.383 2.651 10 5 EFBELO Cc1sc(C(=O)NCc2cn3c(cccc3C)[nH+]2)cc1[N+](=O)[O-] ZINC000068570283 526873533 /nfs/dbraw/zinc/87/35/33/526873533.db2.gz AFGXXUASZMZFCK-UHFFFAOYSA-N 1 2 330.369 2.851 10 5 EFBELO O=[N+]([O-])c1cc(C[NH+]2CCC(c3ccn[nH]3)CC2)c2c(c1)COCO2 ZINC000195506575 527328892 /nfs/dbraw/zinc/32/88/92/527328892.db2.gz FERYVILHXALCIH-UHFFFAOYSA-N 1 2 344.371 2.564 10 5 EFBELO CC[N@@H+]1CCN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C[C@H]1C ZINC000683563221 549918214 /nfs/dbraw/zinc/91/82/14/549918214.db2.gz JQXXTKIIGYRTNG-CQSZACIVSA-N 1 2 349.434 2.848 10 5 EFBELO CC[N@H+]1CCN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C[C@H]1C ZINC000683563221 549918215 /nfs/dbraw/zinc/91/82/15/549918215.db2.gz JQXXTKIIGYRTNG-CQSZACIVSA-N 1 2 349.434 2.848 10 5 EFBELO CC(C)[C@H]1CC[N@H+](Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)C1 ZINC000755926413 575658166 /nfs/dbraw/zinc/65/81/66/575658166.db2.gz XRLXKTSJUNAYKR-HNNXBMFYSA-N 1 2 342.399 2.754 10 5 EFBELO CC(C)[C@H]1CC[N@@H+](Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)C1 ZINC000755926413 575658168 /nfs/dbraw/zinc/65/81/68/575658168.db2.gz XRLXKTSJUNAYKR-HNNXBMFYSA-N 1 2 342.399 2.754 10 5 EFBELO Cc1ncc([N+](=O)[O-])cc1-c1nc(-c2cccc(-n3cc[nH+]c3)n2)no1 ZINC000762217607 576276658 /nfs/dbraw/zinc/27/66/58/576276658.db2.gz UADIQGBXCJZDES-UHFFFAOYSA-N 1 2 349.310 2.596 10 5 EFBELO Cc1ccc2[nH+]c(COC(=O)c3cc([N+](=O)[O-])cnc3C)cn2c1 ZINC000762442011 576302864 /nfs/dbraw/zinc/30/28/64/576302864.db2.gz MFMWPICUTJIYIP-UHFFFAOYSA-N 1 2 326.312 2.611 10 5 EFBELO COc1cc(N2CCC([N@H+](C)CC(F)F)CC2)c([N+](=O)[O-])cc1F ZINC000771154299 581180842 /nfs/dbraw/zinc/18/08/42/581180842.db2.gz KNLFZALTRFTLSR-UHFFFAOYSA-N 1 2 347.337 2.908 10 5 EFBELO COc1cc(N2CCC([N@@H+](C)CC(F)F)CC2)c([N+](=O)[O-])cc1F ZINC000771154299 581180844 /nfs/dbraw/zinc/18/08/44/581180844.db2.gz KNLFZALTRFTLSR-UHFFFAOYSA-N 1 2 347.337 2.908 10 5 EFBELO COc1ccc(CC(=O)OCc2ccc(C)[nH+]c2C)cc1[N+](=O)[O-] ZINC000772084593 581280594 /nfs/dbraw/zinc/28/05/94/581280594.db2.gz WZXPOEGAUDTJJI-UHFFFAOYSA-N 1 2 330.340 2.901 10 5 EFBELO Cc1ccc(COC(=O)CN(C)c2ccccc2[N+](=O)[O-])c(C)[nH+]1 ZINC000772168063 581291525 /nfs/dbraw/zinc/29/15/25/581291525.db2.gz VXMCQLHNNMSAQP-UHFFFAOYSA-N 1 2 329.356 2.786 10 5 EFBELO O=[N+]([O-])c1ccc2[nH]c(NCc3ccc(-n4cc[nH+]c4)nc3)nc2c1 ZINC000774656476 581496716 /nfs/dbraw/zinc/49/67/16/581496716.db2.gz CROMLDOBDGPUAW-UHFFFAOYSA-N 1 2 335.327 2.664 10 5 EFBELO Cc1ccc(C[NH2+]Cc2nc(Br)c[nH]2)cc1[N+](=O)[O-] ZINC000922317247 1265513639 /nfs/dbraw/zinc/51/36/39/1265513639.db2.gz WWBLBQZJCSRAGY-UHFFFAOYSA-N 1 2 325.166 2.679 10 5 EFBELO O=C(OC[C@@H]1C[C@H]2C[C@H]2C1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000851221244 1250869645 /nfs/dbraw/zinc/86/96/45/1250869645.db2.gz CHVMKSSORUJDPH-UBSAEIQESA-N 1 2 327.340 2.983 10 5 EFBELO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC[C@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000825124460 1278421473 /nfs/dbraw/zinc/42/14/73/1278421473.db2.gz QHNLFNFYDBLHNU-QPUJVOFHSA-N 1 2 338.713 2.993 10 5 EFBELO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000825124460 1278421477 /nfs/dbraw/zinc/42/14/77/1278421477.db2.gz QHNLFNFYDBLHNU-QPUJVOFHSA-N 1 2 338.713 2.993 10 5 EFBELO O=C(C[N@@H+]1CCC[C@]2(CC2(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000844436155 1279004549 /nfs/dbraw/zinc/00/45/49/1279004549.db2.gz FKPLIBBZSJCLTQ-AWEZNQCLSA-N 1 2 325.315 2.655 10 5 EFBELO O=C(C[N@H+]1CCC[C@]2(CC2(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000844436155 1279004560 /nfs/dbraw/zinc/00/45/60/1279004560.db2.gz FKPLIBBZSJCLTQ-AWEZNQCLSA-N 1 2 325.315 2.655 10 5 EFBELO CC(C)CN1CCO[C@H](C[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000872017818 1287400764 /nfs/dbraw/zinc/40/07/64/1287400764.db2.gz FHYSWOTYYNFRBZ-ZIAGYGMSSA-N 1 2 339.411 2.741 10 5 EFBELO COc1cc(F)c([N+](=O)[O-])c(N2CC[NH+](Cc3ccco3)CC2)c1 ZINC000747204866 1280339546 /nfs/dbraw/zinc/33/95/46/1280339546.db2.gz QLYAGAOBOKAJBH-UHFFFAOYSA-N 1 2 335.335 2.658 10 5 EFBELO Cn1ccnc1[C@@H]([NH2+]C[C@@H]1CC(C)(C)CO1)c1ccc([N+](=O)[O-])cc1 ZINC000872106474 1287430569 /nfs/dbraw/zinc/43/05/69/1287430569.db2.gz QVAWLKNQLIMUKR-HOTGVXAUSA-N 1 2 344.415 2.822 10 5 EFBELO Cc1nccn1-c1cc[nH+]cc1NC(=O)c1cc([N+](=O)[O-])ccc1F ZINC001146987529 1281075291 /nfs/dbraw/zinc/07/52/91/1281075291.db2.gz WLVKDKBOURZWDP-UHFFFAOYSA-N 1 2 341.302 2.875 10 5 EFBELO C[C@](CO)([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])c1cccc(O)c1 ZINC000829915575 1281182154 /nfs/dbraw/zinc/18/21/54/1281182154.db2.gz JZSYOZGWFVJTHR-MRXNPFEDSA-N 1 2 336.775 2.951 10 5 EFBELO O=C(Nc1cnc2ccccn12)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001130854886 1281225097 /nfs/dbraw/zinc/22/50/97/1281225097.db2.gz GINWJBNMVCKWLP-UHFFFAOYSA-N 1 2 348.322 2.681 10 5 EFBELO CN(C)c1cc(F)c(C(=O)Nc2ccc3[nH+]ccn3c2)cc1[N+](=O)[O-] ZINC001131516120 1281977221 /nfs/dbraw/zinc/97/72/21/1281977221.db2.gz JHWAFMSMADQQKE-UHFFFAOYSA-N 1 2 343.318 2.700 10 5 EFBELO O=[N+]([O-])c1cc(I)cc(C[N@@H+]2CC[C@H]3C[C@H]32)c1 ZINC000809967877 1282659553 /nfs/dbraw/zinc/65/95/53/1282659553.db2.gz JTDMKSUMWZARCG-JOYOIKCWSA-N 1 2 344.152 2.794 10 5 EFBELO O=[N+]([O-])c1cc(I)cc(C[N@H+]2CC[C@H]3C[C@H]32)c1 ZINC000809967877 1282659574 /nfs/dbraw/zinc/65/95/74/1282659574.db2.gz JTDMKSUMWZARCG-JOYOIKCWSA-N 1 2 344.152 2.794 10 5 EFBELO Cc1ccc(-c2nc([C@@H]([NH3+])CC(=O)OC(C)(C)C)no2)cc1[N+](=O)[O-] ZINC000823401744 1289292662 /nfs/dbraw/zinc/29/26/62/1289292662.db2.gz HISNPAHXJMEWEM-NSHDSACASA-N 1 2 348.359 2.685 10 5 EFBELO CC[C@@H]([NH2+][C@H](C)c1nc(-c2nc[nH]n2)no1)c1cccc([N+](=O)[O-])c1 ZINC001192813945 1293059819 /nfs/dbraw/zinc/05/98/19/1293059819.db2.gz DVKXTALPXWUEKB-BXKDBHETSA-N 1 2 343.347 2.565 10 5 EFBELO CC[C@@H]([NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C)c1noc(C)n1 ZINC001193237789 1293210561 /nfs/dbraw/zinc/21/05/61/1293210561.db2.gz FEMMZIPTIBDXTJ-GFCCVEGCSA-N 1 2 347.375 2.664 10 5 EFBELO Cn1c[nH+]cc1Cc1noc(CCc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000903664551 1313033446 /nfs/dbraw/zinc/03/34/46/1313033446.db2.gz ZYDWHKKJGHIRRG-UHFFFAOYSA-N 1 2 347.762 2.741 10 5 EFBELO Nc1nnc(C2CC[NH+](Cc3ccc(Cl)c([N+](=O)[O-])c3)CC2)o1 ZINC001195722317 1294011781 /nfs/dbraw/zinc/01/17/81/1294011781.db2.gz YHSTXCVGAOJSOY-UHFFFAOYSA-N 1 2 337.767 2.593 10 5 EFBELO C[C@](CO)([NH2+]Cc1csc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC001196909219 1294411196 /nfs/dbraw/zinc/41/11/96/1294411196.db2.gz UELBZHAYSFVGRD-CQSZACIVSA-N 1 2 337.357 2.562 10 5 EFBELO O=[N+]([O-])c1cc2c(cc1C[NH2+]Cc1cc(C3CC3)no1)OCCO2 ZINC000886272498 1294805773 /nfs/dbraw/zinc/80/57/73/1294805773.db2.gz RBABCEAKCSQAKL-UHFFFAOYSA-N 1 2 331.328 2.521 10 5 EFBELO O=[N+]([O-])c1ccc(C[N@H+](Cc2[nH]nc3c2COCC3)C2CC2)cc1 ZINC000930140954 1297239179 /nfs/dbraw/zinc/23/91/79/1297239179.db2.gz LSYXRNUOIUEXEJ-UHFFFAOYSA-N 1 2 328.372 2.555 10 5 EFBELO O=[N+]([O-])c1ccc(C[N@@H+](Cc2[nH]nc3c2COCC3)C2CC2)cc1 ZINC000930140954 1297239185 /nfs/dbraw/zinc/23/91/85/1297239185.db2.gz LSYXRNUOIUEXEJ-UHFFFAOYSA-N 1 2 328.372 2.555 10 5 EFBELO COc1ccc(C[N@@H+]2CCOc3ccc(N)cc3C2)cc1[N+](=O)[O-] ZINC000903947285 1313469596 /nfs/dbraw/zinc/46/95/96/1313469596.db2.gz PRYQJOGLWXRGON-UHFFFAOYSA-N 1 2 329.356 2.580 10 5 EFBELO COc1ccc(C[N@H+]2CCOc3ccc(N)cc3C2)cc1[N+](=O)[O-] ZINC000903947285 1313469598 /nfs/dbraw/zinc/46/95/98/1313469598.db2.gz PRYQJOGLWXRGON-UHFFFAOYSA-N 1 2 329.356 2.580 10 5 EFBELO C[C@@]1(C2CC2)C[N@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)CCO1 ZINC000853529600 1300150172 /nfs/dbraw/zinc/15/01/72/1300150172.db2.gz ZVOJGLYOWYHCSL-SFHVURJKSA-N 1 2 342.399 2.917 10 5 EFBELO C[C@@]1(C2CC2)C[N@@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)CCO1 ZINC000853529600 1300150177 /nfs/dbraw/zinc/15/01/77/1300150177.db2.gz ZVOJGLYOWYHCSL-SFHVURJKSA-N 1 2 342.399 2.917 10 5 EFBELO COc1cc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)c([N+](=O)[O-])cc1C ZINC000853550083 1300161945 /nfs/dbraw/zinc/16/19/45/1300161945.db2.gz BLZLQZMROKDRKT-CQSZACIVSA-N 1 2 329.356 2.965 10 5 EFBELO C[C@H]1COC2(CCCC2)C[N@@H+]1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000853576700 1300174805 /nfs/dbraw/zinc/17/48/05/1300174805.db2.gz FAYKVWPCTDGJJN-ZDUSSCGKSA-N 1 2 330.388 2.936 10 5 EFBELO C[C@H]1COC2(CCCC2)C[N@H+]1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000853576700 1300174813 /nfs/dbraw/zinc/17/48/13/1300174813.db2.gz FAYKVWPCTDGJJN-ZDUSSCGKSA-N 1 2 330.388 2.936 10 5 EFBELO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000859884188 1301618040 /nfs/dbraw/zinc/61/80/40/1301618040.db2.gz HSZQXZDEUUUHLM-RRMDADRESA-N 1 2 328.821 2.734 10 5 EFBELO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000859884188 1301618047 /nfs/dbraw/zinc/61/80/47/1301618047.db2.gz HSZQXZDEUUUHLM-RRMDADRESA-N 1 2 328.821 2.734 10 5 EFBELO COc1ccc([C@@H]2CC[N@H+](Cn3cc([N+](=O)[O-])c(C)n3)C2)cc1F ZINC000863334376 1302590168 /nfs/dbraw/zinc/59/01/68/1302590168.db2.gz AJIYRZQFERSSEN-CYBMUJFWSA-N 1 2 334.351 2.694 10 5 EFBELO COc1ccc([C@@H]2CC[N@@H+](Cn3cc([N+](=O)[O-])c(C)n3)C2)cc1F ZINC000863334376 1302590178 /nfs/dbraw/zinc/59/01/78/1302590178.db2.gz AJIYRZQFERSSEN-CYBMUJFWSA-N 1 2 334.351 2.694 10 5 EFBELO CC(C)(C(=O)O[C@@H]1CC[N@H+](CCF)C1)c1ccc([N+](=O)[O-])cc1F ZINC000802230793 1311488814 /nfs/dbraw/zinc/48/88/14/1311488814.db2.gz PKLGYVOGBGKOAH-GFCCVEGCSA-N 1 2 342.342 2.599 10 5 EFBELO CC(C)(C(=O)O[C@@H]1CC[N@@H+](CCF)C1)c1ccc([N+](=O)[O-])cc1F ZINC000802230793 1311488816 /nfs/dbraw/zinc/48/88/16/1311488816.db2.gz PKLGYVOGBGKOAH-GFCCVEGCSA-N 1 2 342.342 2.599 10 5 EFBELO COc1cc(COC(=O)[C@H](c2ccccc2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000780089997 1311615196 /nfs/dbraw/zinc/61/51/96/1311615196.db2.gz QSLZTIFOUDNYPR-KRWDZBQOSA-N 1 2 344.367 2.950 10 5 EFBELO O=[N+]([O-])c1cccc(-c2cnn(C[N@@H+]3CC[C@H](OC(F)F)C3)c2)c1 ZINC000802747009 1311985732 /nfs/dbraw/zinc/98/57/32/1311985732.db2.gz CKHLAYVNLCLVHF-AWEZNQCLSA-N 1 2 338.314 2.729 10 5 EFBELO O=[N+]([O-])c1cccc(-c2cnn(C[N@H+]3CC[C@H](OC(F)F)C3)c2)c1 ZINC000802747009 1311985737 /nfs/dbraw/zinc/98/57/37/1311985737.db2.gz CKHLAYVNLCLVHF-AWEZNQCLSA-N 1 2 338.314 2.729 10 5 EFBELO O=[N+]([O-])c1ccc(-c2cnn(C[N@@H+]3CC[C@H](OC(F)F)C3)c2)cc1 ZINC000802746946 1311985763 /nfs/dbraw/zinc/98/57/63/1311985763.db2.gz BFGQXQHTTQVWLC-AWEZNQCLSA-N 1 2 338.314 2.729 10 5 EFBELO O=[N+]([O-])c1ccc(-c2cnn(C[N@H+]3CC[C@H](OC(F)F)C3)c2)cc1 ZINC000802746946 1311985765 /nfs/dbraw/zinc/98/57/65/1311985765.db2.gz BFGQXQHTTQVWLC-AWEZNQCLSA-N 1 2 338.314 2.729 10 5 EFBELO C/C(=C\C(=O)OCCCc1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000802784504 1312019880 /nfs/dbraw/zinc/01/98/80/1312019880.db2.gz COSXXRGBGPXSAC-OUKQBFOZSA-N 1 2 329.356 2.908 10 5 EFBELO O=[N+]([O-])c1c2ccncc2ccc1N1CCN(c2cccc[nH+]2)CC1 ZINC001161984849 1312020970 /nfs/dbraw/zinc/02/09/70/1312020970.db2.gz TVHSYVIQOORZQU-UHFFFAOYSA-N 1 2 335.367 2.865 10 5 EFBELO Cc1cccc(C[N@@H+]2CCO[C@H](CNc3ncccc3[N+](=O)[O-])C2)c1 ZINC001163938810 1312411371 /nfs/dbraw/zinc/41/13/71/1312411371.db2.gz OTQNKGCYBPRXHI-MRXNPFEDSA-N 1 2 342.399 2.611 10 5 EFBELO Cc1cccc(C[N@H+]2CCO[C@H](CNc3ncccc3[N+](=O)[O-])C2)c1 ZINC001163938810 1312411375 /nfs/dbraw/zinc/41/13/75/1312411375.db2.gz OTQNKGCYBPRXHI-MRXNPFEDSA-N 1 2 342.399 2.611 10 5 EFBELO CCNc1ccc(Nc2ccc(CC(=O)OC)cc2[N+](=O)[O-])c[nH+]1 ZINC001164395328 1312507405 /nfs/dbraw/zinc/50/74/05/1312507405.db2.gz YVNCIVHBOQDJAL-UHFFFAOYSA-N 1 2 330.344 2.881 10 5 EFBELO COc1cc(C(=O)OCC(C)(C)n2cc[nH+]c2)c([N+](=O)[O-])cc1F ZINC001263543803 1316549192 /nfs/dbraw/zinc/54/91/92/1316549192.db2.gz KCSVZBRZDHPBRW-UHFFFAOYSA-N 1 2 337.307 2.531 10 5 EFBELO Cc1ccc(CN(C)C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)o1 ZINC001290103595 1321877839 /nfs/dbraw/zinc/87/78/39/1321877839.db2.gz NRLLGRAGSWOTOL-UHFFFAOYSA-N 1 2 340.339 2.954 10 5 EFBELO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001292716587 1322108713 /nfs/dbraw/zinc/10/87/13/1322108713.db2.gz HYDGGKCXDYKFIF-GFCCVEGCSA-N 1 2 344.371 2.736 10 5 EFBELO O=C(Nc1ccn2cc[nH+]c2c1)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC001297439268 1323217165 /nfs/dbraw/zinc/21/71/65/1323217165.db2.gz GMVHZDUMRQFODK-UHFFFAOYSA-N 1 2 348.322 2.885 10 5 EFBELO CN(Cc1ccc(N)[nH+]c1)c1c(Br)cccc1[N+](=O)[O-] ZINC001307088876 1324740916 /nfs/dbraw/zinc/74/09/16/1324740916.db2.gz LYSGCYWZAAJYIX-UHFFFAOYSA-N 1 2 337.177 2.971 10 5 EFBELO CCOC(=O)c1cc([N+](=O)[O-])c(NCc2ccc[nH+]c2N)cc1C ZINC001307122487 1324743068 /nfs/dbraw/zinc/74/30/68/1324743068.db2.gz AKNACYZMCOSGPW-UHFFFAOYSA-N 1 2 330.344 2.669 10 5 EFBELO CNc1cc(CNc2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])cc[nH+]1 ZINC001307214714 1324752051 /nfs/dbraw/zinc/75/20/51/1324752051.db2.gz QILAGUZZYLAMJT-XQRVVYSFSA-N 1 2 342.355 2.830 10 5 EFBELO CC[C@@H]1C[N@H+](CC[N+](=O)[O-])[C@H](CC)CN1C(=O)OCc1ccccc1 ZINC001307482249 1324770517 /nfs/dbraw/zinc/77/05/17/1324770517.db2.gz MBFUIDXHQMIFEK-IAGOWNOFSA-N 1 2 349.431 2.775 10 5 EFBELO CC[C@@H]1C[N@@H+](CC[N+](=O)[O-])[C@H](CC)CN1C(=O)OCc1ccccc1 ZINC001307482249 1324770519 /nfs/dbraw/zinc/77/05/19/1324770519.db2.gz MBFUIDXHQMIFEK-IAGOWNOFSA-N 1 2 349.431 2.775 10 5 EFBELO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@H](O)CC[C@H](O)c1ccccc1)C2 ZINC001332650866 1330995839 /nfs/dbraw/zinc/99/58/39/1330995839.db2.gz RMERNVUYFHGNSN-MOPGFXCFSA-N 1 2 342.395 2.785 10 5 EFBELO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H](O)CC[C@H](O)c1ccccc1)C2 ZINC001332650866 1330995841 /nfs/dbraw/zinc/99/58/41/1330995841.db2.gz RMERNVUYFHGNSN-MOPGFXCFSA-N 1 2 342.395 2.785 10 5 EFBELO C[C@@H](C(=O)N1CCC(Cc2c[nH]c[nH+]2)CC1)c1cccc([N+](=O)[O-])c1 ZINC001348022702 1332793977 /nfs/dbraw/zinc/79/39/77/1332793977.db2.gz UAJIFLKWWXHPIJ-CYBMUJFWSA-N 1 2 342.399 2.903 10 5 EFBELO Cc1cccc(C(=O)N2CCC(Cc3c[nH]c[nH+]3)CC2)c1[N+](=O)[O-] ZINC001353185441 1333994052 /nfs/dbraw/zinc/99/40/52/1333994052.db2.gz MFYXHZFGMJQSSK-UHFFFAOYSA-N 1 2 328.372 2.721 10 5 EFBELO O=C1[C@@H](c2ccc([N+](=O)[O-])cc2)CCN1C[NH+]1CCC(F)(F)CC1 ZINC000848487808 1334744379 /nfs/dbraw/zinc/74/43/79/1334744379.db2.gz XMYWYSGZGCHIAA-CQSZACIVSA-N 1 2 339.342 2.599 10 5 EFBELO CC[N@H+](CCNC(=O)C1(F)CCCC1)Cc1csc([N+](=O)[O-])c1 ZINC001492984183 1345688276 /nfs/dbraw/zinc/68/82/76/1345688276.db2.gz RYUKRBKWNAMDSF-UHFFFAOYSA-N 1 2 343.424 2.877 10 5 EFBELO CC[N@@H+](CCNC(=O)C1(F)CCCC1)Cc1csc([N+](=O)[O-])c1 ZINC001492984183 1345688281 /nfs/dbraw/zinc/68/82/81/1345688281.db2.gz RYUKRBKWNAMDSF-UHFFFAOYSA-N 1 2 343.424 2.877 10 5 EFBELO Nc1c(C(=O)Nc2ccn3cc[nH+]c3c2)cc(Cl)c(F)c1[N+](=O)[O-] ZINC001448965567 1392202668 /nfs/dbraw/zinc/20/26/68/1392202668.db2.gz RUYNCHVKQLANKA-UHFFFAOYSA-N 1 2 349.709 2.870 10 5 EFBELO O=C(Nc1nccc2c1cccc2[N+](=O)[O-])[C@H]1CCn2c[nH+]cc2C1 ZINC001457894406 1395382857 /nfs/dbraw/zinc/38/28/57/1395382857.db2.gz QAUHREHVYFVHCF-NSHDSACASA-N 1 2 337.339 2.541 10 5 EFBELO CC(C)c1[nH]cc(CNc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)[nH+]1 ZINC001458644434 1395536153 /nfs/dbraw/zinc/53/61/53/1395536153.db2.gz XBAMGCRMRZTSOF-UHFFFAOYSA-N 1 2 343.387 2.946 10 5 EFBELO CC(C)c1[nH]c(CNc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)c[nH+]1 ZINC001458644434 1395536157 /nfs/dbraw/zinc/53/61/57/1395536157.db2.gz XBAMGCRMRZTSOF-UHFFFAOYSA-N 1 2 343.387 2.946 10 5 EFBELO CC(C)(C)[C@H]1CSCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001460685185 1396243085 /nfs/dbraw/zinc/24/30/85/1396243085.db2.gz AQVVXJFJWFICTO-CQSZACIVSA-N 1 2 337.445 2.997 10 5 EFBELO CC(C)(C)[C@H]1CSCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001460685185 1396243094 /nfs/dbraw/zinc/24/30/94/1396243094.db2.gz AQVVXJFJWFICTO-CQSZACIVSA-N 1 2 337.445 2.997 10 5 EFBELO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCCC[C@@H]1c1ncccn1 ZINC001460716957 1396245796 /nfs/dbraw/zinc/24/57/96/1396245796.db2.gz MLQQTLZYFFCJDF-OAHLLOKOSA-N 1 2 328.372 2.991 10 5 EFBELO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCCC[C@@H]1c1ncccn1 ZINC001460716957 1396245799 /nfs/dbraw/zinc/24/57/99/1396245799.db2.gz MLQQTLZYFFCJDF-OAHLLOKOSA-N 1 2 328.372 2.991 10 5 EFBELO O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001465682672 1396701918 /nfs/dbraw/zinc/70/19/18/1396701918.db2.gz NHQDPKMAPICNPI-UHFFFAOYSA-N 1 2 348.790 2.920 10 5 EFBELO O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC001465682672 1396701922 /nfs/dbraw/zinc/70/19/22/1396701922.db2.gz NHQDPKMAPICNPI-UHFFFAOYSA-N 1 2 348.790 2.920 10 5 EFBELO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC001466003848 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CCOC(=O)[C@@H](CC)[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001559765940 1415254718 /nfs/dbraw/zinc/25/47/18/1415254718.db2.gz SROIDIAYZQSQIE-MRXNPFEDSA-N 1 2 336.388 2.780 10 5 EFBELO CCOC(=O)[C@@H](CC)[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001559765940 1415254724 /nfs/dbraw/zinc/25/47/24/1415254724.db2.gz SROIDIAYZQSQIE-MRXNPFEDSA-N 1 2 336.388 2.780 10 5 EFBELO COC(=O)c1cc(C(=O)C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])c(C)[nH]1 ZINC001560118929 1415264656 /nfs/dbraw/zinc/26/46/56/1415264656.db2.gz HGTIEHMOULORBY-JTQLQIEISA-N 1 2 345.355 2.551 10 5 EFBELO CNc1cc(CNC(=O)NC[C@H](C)c2ccccc2[N+](=O)[O-])cc[nH+]1 ZINC001685532415 1416766422 /nfs/dbraw/zinc/76/64/22/1416766422.db2.gz PNPTXIOFDBRAJC-LBPRGKRZSA-N 1 2 343.387 2.634 10 5 EFBELO Cn1c[nH+]c(CCNc2cccc(Br)c2[N+](=O)[O-])c1 ZINC000313474087 715337529 /nfs/dbraw/zinc/33/75/29/715337529.db2.gz VYOOSDLNDHGLHJ-UHFFFAOYSA-N 1 2 325.166 2.745 10 5 EFBELO O=[N+]([O-])c1ccnn1C[NH+]1CCC(CN2CCc3ccccc32)CC1 ZINC000732186774 727001922 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EFBELO O=C(NCCCNc1cccc[nH+]1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001650804845 1093494950 /nfs/dbraw/zinc/49/49/50/1093494950.db2.gz HELPVUPYOYHZKU-UHFFFAOYSA-N 1 2 334.763 2.875 10 5 EFBELO Cc1ncccc1COC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001596297740 1094525315 /nfs/dbraw/zinc/52/53/15/1094525315.db2.gz PTAYYKFNOLUALZ-UHFFFAOYSA-N 1 2 338.323 2.841 10 5 EFBELO O=C(NCc1ccccc1-n1cc[nH+]c1)c1c(F)cccc1[N+](=O)[O-] ZINC001597992140 1094646725 /nfs/dbraw/zinc/64/67/25/1094646725.db2.gz KEWKPOYJLMVVCJ-UHFFFAOYSA-N 1 2 340.314 2.850 10 5 EFBELO C[C@@H]1CN(c2c(Br)cccc2[N+](=O)[O-])C[C@H](C)[N@H+]1C ZINC001612438257 1099058501 /nfs/dbraw/zinc/05/85/01/1099058501.db2.gz ARYVVXMJNMBTAK-AOOOYVTPSA-N 1 2 328.210 2.886 10 5 EFBELO C[C@@H]1CN(c2c(Br)cccc2[N+](=O)[O-])C[C@H](C)[N@@H+]1C ZINC001612438257 1099058513 /nfs/dbraw/zinc/05/85/13/1099058513.db2.gz ARYVVXMJNMBTAK-AOOOYVTPSA-N 1 2 328.210 2.886 10 5 EFBELO Cc1cc(C)[nH+]c(Cn2cc(Br)c(=O)c([N+](=O)[O-])c2)c1 ZINC001613611261 1099103119 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O=C(NCCCCC[NH+]1CCCCC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000352949309 146356720 /nfs/dbraw/zinc/35/67/20/146356720.db2.gz WCPIFEQNVOVWOP-UHFFFAOYSA-N 1 2 335.404 2.686 10 5 EFBELO COc1cc[nH+]cc1NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000358909800 147934664 /nfs/dbraw/zinc/93/46/64/147934664.db2.gz XLQHEDFCFKFCPS-UHFFFAOYSA-N 1 2 339.254 2.852 10 5 EFBELO COC(=O)c1ccc([N+](=O)[O-])c(NCc2cn3ccccc3[nH+]2)c1 ZINC000359837642 148203486 /nfs/dbraw/zinc/20/34/86/148203486.db2.gz VBOHEOZRULKMCF-UHFFFAOYSA-N 1 2 326.312 2.641 10 5 EFBELO C[C@@H]1C[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C[C@]2(CCO[C@H](C)C2)O1 ZINC000373965842 151259053 /nfs/dbraw/zinc/25/90/53/151259053.db2.gz ALGDWLVSVUUKBN-PBFPGSCMSA-N 1 2 338.379 2.892 10 5 EFBELO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C[C@]2(CCO[C@H](C)C2)O1 ZINC000373965842 151259054 /nfs/dbraw/zinc/25/90/54/151259054.db2.gz ALGDWLVSVUUKBN-PBFPGSCMSA-N 1 2 338.379 2.892 10 5 EFBELO NC(=O)c1ccc(C[N@@H+]2CC[C@@](F)(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000374522307 151362187 /nfs/dbraw/zinc/36/21/87/151362187.db2.gz SHYHIZCNWGQOQO-SFHVURJKSA-N 1 2 343.358 2.764 10 5 EFBELO NC(=O)c1ccc(C[N@H+]2CC[C@@](F)(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000374522307 151362189 /nfs/dbraw/zinc/36/21/89/151362189.db2.gz SHYHIZCNWGQOQO-SFHVURJKSA-N 1 2 343.358 2.764 10 5 EFBELO O=[N+]([O-])c1cccc(C[NH2+]Cc2nc(COc3ccccc3)n[nH]2)c1 ZINC000185768275 265049093 /nfs/dbraw/zinc/04/90/93/265049093.db2.gz RQKMUPAJMVDNAP-UHFFFAOYSA-N 1 2 339.355 2.582 10 5 EFBELO C[C@H]1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1n1cc[nH+]c1 ZINC000278428548 267438330 /nfs/dbraw/zinc/43/83/30/267438330.db2.gz JECKEEQTXKYYAM-NHYWBVRUSA-N 1 2 326.360 2.755 10 5 EFBELO Cn1cc([C@@H]2CCC[N@@H+]2Cc2nc3cc([N+](=O)[O-])ccc3o2)cn1 ZINC000177047152 273036001 /nfs/dbraw/zinc/03/60/01/273036001.db2.gz VWEVIIALEKRZFR-AWEZNQCLSA-N 1 2 327.344 2.807 10 5 EFBELO Cn1cc([C@@H]2CCC[N@H+]2Cc2nc3cc([N+](=O)[O-])ccc3o2)cn1 ZINC000177047152 273036002 /nfs/dbraw/zinc/03/60/02/273036002.db2.gz VWEVIIALEKRZFR-AWEZNQCLSA-N 1 2 327.344 2.807 10 5 EFBELO Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000194387411 273069645 /nfs/dbraw/zinc/06/96/45/273069645.db2.gz UIFWYRYLGGYNSF-UHFFFAOYSA-N 1 2 341.302 2.875 10 5 EFBELO Cc1cn2cc(NC(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)ccc2[nH+]1 ZINC000343874823 274825017 /nfs/dbraw/zinc/82/50/17/274825017.db2.gz OQHHPSVLJMAJPM-UHFFFAOYSA-N 1 2 336.311 2.680 10 5 EFBELO O=[N+]([O-])c1ccc(N2CCCN(c3[nH]c4ccccc4[nH+]3)CC2)nc1 ZINC000069567791 275036054 /nfs/dbraw/zinc/03/60/54/275036054.db2.gz BYXKQQRELRCQRJ-UHFFFAOYSA-N 1 2 338.371 2.583 10 5 EFBELO COc1ccc([N+](=O)[O-])c(N2CCN(c3c[nH+]ccc3C)CC2)c1 ZINC000338714177 277937859 /nfs/dbraw/zinc/93/78/59/277937859.db2.gz SABODZBBBLPTDP-UHFFFAOYSA-N 1 2 328.372 2.633 10 5 EFBELO COc1cccc2c1CC[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])CC2 ZINC000339135232 278029066 /nfs/dbraw/zinc/02/90/66/278029066.db2.gz YSPQHBZAAQQAGA-UHFFFAOYSA-N 1 2 328.368 2.910 10 5 EFBELO COc1cccc2c1CC[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])CC2 ZINC000339135232 278029068 /nfs/dbraw/zinc/02/90/68/278029068.db2.gz YSPQHBZAAQQAGA-UHFFFAOYSA-N 1 2 328.368 2.910 10 5 EFBELO Cc1sc(C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)cc1[N+](=O)[O-] ZINC000372299151 279283547 /nfs/dbraw/zinc/28/35/47/279283547.db2.gz WIHJBHUTYXVPRK-ZDUSSCGKSA-N 1 2 331.397 2.881 10 5 EFBELO Cc1sc(C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)cc1[N+](=O)[O-] ZINC000372299151 279283549 /nfs/dbraw/zinc/28/35/49/279283549.db2.gz WIHJBHUTYXVPRK-ZDUSSCGKSA-N 1 2 331.397 2.881 10 5 EFBELO CC[C@H]1CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C[C@]2(CCOC2)O1 ZINC000413276045 281182234 /nfs/dbraw/zinc/18/22/34/281182234.db2.gz YEEGBLVXXIPCDX-YJBOKZPZSA-N 1 2 343.383 2.917 10 5 EFBELO C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000347803417 289324343 /nfs/dbraw/zinc/32/43/43/289324343.db2.gz XJMNEVWFWUTOTJ-MGPQQGTHSA-N 1 2 346.431 2.526 10 5 EFBELO C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000347803417 289324347 /nfs/dbraw/zinc/32/43/47/289324347.db2.gz XJMNEVWFWUTOTJ-MGPQQGTHSA-N 1 2 346.431 2.526 10 5 EFBELO CN(Cc1ccccc1)C(=O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153150987 293363117 /nfs/dbraw/zinc/36/31/17/293363117.db2.gz QWCKNDWQXPMYPF-UHFFFAOYSA-N 1 2 339.395 2.612 10 5 EFBELO CN(Cc1ccccc1)C(=O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153150987 293363118 /nfs/dbraw/zinc/36/31/18/293363118.db2.gz QWCKNDWQXPMYPF-UHFFFAOYSA-N 1 2 339.395 2.612 10 5 EFBELO O=[N+]([O-])c1cccc2c1CC[N@H+](Cc1ccc3c(c1)OCCO3)C2 ZINC000153367831 293373043 /nfs/dbraw/zinc/37/30/43/293373043.db2.gz FETULZBXJNDWMN-UHFFFAOYSA-N 1 2 326.352 2.924 10 5 EFBELO O=[N+]([O-])c1cccc2c1CC[N@@H+](Cc1ccc3c(c1)OCCO3)C2 ZINC000153367831 293373047 /nfs/dbraw/zinc/37/30/47/293373047.db2.gz FETULZBXJNDWMN-UHFFFAOYSA-N 1 2 326.352 2.924 10 5 EFBELO COC(=O)c1cc(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)oc1C ZINC000153398289 293373750 /nfs/dbraw/zinc/37/37/50/293373750.db2.gz ZXLYVFVJYWEQLJ-UHFFFAOYSA-N 1 2 330.340 2.841 10 5 EFBELO COC(=O)c1cc(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)oc1C ZINC000153398289 293373752 /nfs/dbraw/zinc/37/37/52/293373752.db2.gz ZXLYVFVJYWEQLJ-UHFFFAOYSA-N 1 2 330.340 2.841 10 5 EFBELO CCn1cc[nH+]c1CNc1cc(Cl)c(C(=O)OC)cc1[N+](=O)[O-] ZINC000295031913 295259746 /nfs/dbraw/zinc/25/97/46/295259746.db2.gz RXAHCYUEOWXIRG-UHFFFAOYSA-N 1 2 338.751 2.863 10 5 EFBELO COC(=O)Cc1ccc(NCCc2[nH+]cccc2C)c([N+](=O)[O-])c1 ZINC000295625792 295351319 /nfs/dbraw/zinc/35/13/19/295351319.db2.gz ASJWNMPFCWAFJK-UHFFFAOYSA-N 1 2 329.356 2.668 10 5 EFBELO Cc1ccccc1[C@@H]1C(=O)NCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000355518483 302146012 /nfs/dbraw/zinc/14/60/12/302146012.db2.gz UCBKBBFRLNWBDS-GOSISDBHSA-N 1 2 339.395 2.885 10 5 EFBELO Cc1ccccc1[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000355518483 302146015 /nfs/dbraw/zinc/14/60/15/302146015.db2.gz UCBKBBFRLNWBDS-GOSISDBHSA-N 1 2 339.395 2.885 10 5 EFBELO Cn1ccnc1[C@H]([NH2+]C[C@@H]1CCC(C)(C)O1)c1ccc([N+](=O)[O-])cc1 ZINC000353669788 303004091 /nfs/dbraw/zinc/00/40/91/303004091.db2.gz FFAKEXYPXBGRPK-JKSUJKDBSA-N 1 2 344.415 2.965 10 5 EFBELO CC[C@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1nccs1 ZINC000161163558 310706721 /nfs/dbraw/zinc/70/67/21/310706721.db2.gz JTVGLONQKAGMCE-KBPBESRZSA-N 1 2 346.412 2.898 10 5 EFBELO CNC(=O)[C@@H](Nc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1)C(C)C ZINC000301765589 311157413 /nfs/dbraw/zinc/15/74/13/311157413.db2.gz HIMINPGFIDMQLH-HNNXBMFYSA-N 1 2 343.387 2.543 10 5 EFBELO CC1=CC[N@H+](CCNc2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000302139776 311179905 /nfs/dbraw/zinc/17/99/05/311179905.db2.gz GIAQJEZACOIFFF-UHFFFAOYSA-N 1 2 341.209 2.816 10 5 EFBELO CC1=CC[N@@H+](CCNc2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000302139776 311179906 /nfs/dbraw/zinc/17/99/06/311179906.db2.gz GIAQJEZACOIFFF-UHFFFAOYSA-N 1 2 341.209 2.816 10 5 EFBELO Cc1cc(NCCC2(C)OCCO2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000302173454 311182348 /nfs/dbraw/zinc/18/23/48/311182348.db2.gz VVOFLNWOZMVUSA-UHFFFAOYSA-N 1 2 344.371 2.925 10 5 EFBELO CC[C@H]1C[C@@H](Nc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CCO1 ZINC000420640668 312377839 /nfs/dbraw/zinc/37/78/39/312377839.db2.gz RDHFMMAYJMTCOV-HOTGVXAUSA-N 1 2 349.431 2.797 10 5 EFBELO CCOc1cc(C[N@@H+]2CC(=O)N(C(C)C)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000492633397 314064292 /nfs/dbraw/zinc/06/42/92/314064292.db2.gz VECUQAMACNPEMK-UHFFFAOYSA-N 1 2 349.431 2.825 10 5 EFBELO CCOc1cc(C[N@H+]2CC(=O)N(C(C)C)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000492633397 314064295 /nfs/dbraw/zinc/06/42/95/314064295.db2.gz VECUQAMACNPEMK-UHFFFAOYSA-N 1 2 349.431 2.825 10 5 EFBELO C[C@@H]1CCC[C@](CNC(=O)c2cc(O)ccc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000507527362 315487390 /nfs/dbraw/zinc/48/73/90/315487390.db2.gz FQYGHJHQDWOBLB-PXAZEXFGSA-N 1 2 335.404 2.541 10 5 EFBELO C[C@@H]1CCCC[C@H]1N(C)C(=O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000550568318 318194758 /nfs/dbraw/zinc/19/47/58/318194758.db2.gz GCERHLKTVQRNJL-RHSMWYFYSA-N 1 2 345.443 2.990 10 5 EFBELO C[C@@H]1CCCC[C@H]1N(C)C(=O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000550568318 318194761 /nfs/dbraw/zinc/19/47/61/318194761.db2.gz GCERHLKTVQRNJL-RHSMWYFYSA-N 1 2 345.443 2.990 10 5 EFBELO Cn1ccnc1[C@@H]([NH2+]CCOCC1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000552065213 318240950 /nfs/dbraw/zinc/24/09/50/318240950.db2.gz KOPAFURAWYEQNV-KRWDZBQOSA-N 1 2 344.415 2.824 10 5 EFBELO C[C@@H](C(=O)N(C)c1ccc[nH+]c1N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000555737470 318367606 /nfs/dbraw/zinc/36/76/06/318367606.db2.gz AAAZMSMNUZFTJX-GFCCVEGCSA-N 1 2 328.372 2.822 10 5 EFBELO Cc1cc(CN2CC[NH+](Cc3ccc([N+](=O)[O-])cc3C)CC2)no1 ZINC000183242595 323323915 /nfs/dbraw/zinc/32/39/15/323323915.db2.gz FZCKEXMQKXOXHT-UHFFFAOYSA-N 1 2 330.388 2.517 10 5 EFBELO CC[N@H+](C)[C@@H](C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000183903917 323350485 /nfs/dbraw/zinc/35/04/85/323350485.db2.gz ZWDFLBNJEROTGS-MRXNPFEDSA-N 1 2 329.356 2.932 10 5 EFBELO CC[N@@H+](C)[C@@H](C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000183903917 323350488 /nfs/dbraw/zinc/35/04/88/323350488.db2.gz ZWDFLBNJEROTGS-MRXNPFEDSA-N 1 2 329.356 2.932 10 5 EFBELO Cc1csc([C@@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)n1 ZINC000184166098 323357741 /nfs/dbraw/zinc/35/77/41/323357741.db2.gz YFNLJMRHELAFTF-LLVKDONJSA-N 1 2 334.401 2.957 10 5 EFBELO Cc1csc([C@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)n1 ZINC000184166078 323358004 /nfs/dbraw/zinc/35/80/04/323358004.db2.gz YFNLJMRHELAFTF-NSHDSACASA-N 1 2 334.401 2.957 10 5 EFBELO Cc1csc([C@H](C)[NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000184278083 323361186 /nfs/dbraw/zinc/36/11/86/323361186.db2.gz NWCTWVQTEXIWEJ-NSHDSACASA-N 1 2 334.401 2.673 10 5 EFBELO CC[C@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1nccs1 ZINC000185057737 323381685 /nfs/dbraw/zinc/38/16/85/323381685.db2.gz WUEHICLCXLKEPU-ZDUSSCGKSA-N 1 2 346.412 2.681 10 5 EFBELO CC[C@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1nccs1 ZINC000185080316 323381741 /nfs/dbraw/zinc/38/17/41/323381741.db2.gz DPDSRFSVXJSQNO-ZDUSSCGKSA-N 1 2 346.412 2.681 10 5 EFBELO CC[C@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000185120101 323384473 /nfs/dbraw/zinc/38/44/73/323384473.db2.gz UVNBYIJCYJHJAV-ZDUSSCGKSA-N 1 2 334.401 2.755 10 5 EFBELO Cc1[nH]c2nc[nH+]c(NC(=O)Cc3cccc([N+](=O)[O-])c3)c2c1C ZINC000096008841 473254277 /nfs/dbraw/zinc/25/42/77/473254277.db2.gz UFBKFBTYDAYPKC-UHFFFAOYSA-N 1 2 325.328 2.664 10 5 EFBELO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000146266292 473298694 /nfs/dbraw/zinc/29/86/94/473298694.db2.gz RWWHKNKMZGVQCD-INIZCTEOSA-N 1 2 347.415 2.615 10 5 EFBELO COCCCNc1ccc(-c2cc([N+](=O)[O-])ccc2CCO)c[nH+]1 ZINC000600793306 468659210 /nfs/dbraw/zinc/65/92/10/468659210.db2.gz NFSZEFNZKYYIKL-UHFFFAOYSA-N 1 2 331.372 2.640 10 5 EFBELO CC(=O)c1ccc(NCc2ccnc(-n3cc[nH+]c3)c2)c([N+](=O)[O-])c1 ZINC000068320672 472168170 /nfs/dbraw/zinc/16/81/70/472168170.db2.gz NAQPJRPJUCYBED-UHFFFAOYSA-N 1 2 337.339 2.990 10 5 EFBELO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(C(=O)c2ccccn2)CC1 ZINC000031558719 472383554 /nfs/dbraw/zinc/38/35/54/472383554.db2.gz PLDOFZMYHIUOJZ-CQSZACIVSA-N 1 2 340.383 2.509 10 5 EFBELO CN(C)c1[nH+]cccc1CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000097162474 472470012 /nfs/dbraw/zinc/47/00/12/472470012.db2.gz DTHOMXUTJBRKKB-UHFFFAOYSA-N 1 2 334.763 2.639 10 5 EFBELO Cc1cccc(C(=O)NC2CCN(c3cccc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000046619589 472578035 /nfs/dbraw/zinc/57/80/35/472578035.db2.gz UOKGZQSGBMRQBF-UHFFFAOYSA-N 1 2 340.383 2.697 10 5 EFBELO Cc1csc(NC(=O)C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)n1 ZINC000155699943 472597988 /nfs/dbraw/zinc/59/79/88/472597988.db2.gz HCNDIEZTRCILKS-UHFFFAOYSA-N 1 2 346.412 2.963 10 5 EFBELO Cc1csc(NC(=O)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)n1 ZINC000155699943 472597994 /nfs/dbraw/zinc/59/79/94/472597994.db2.gz HCNDIEZTRCILKS-UHFFFAOYSA-N 1 2 346.412 2.963 10 5 EFBELO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C[N@@H+]1CCc2sccc2C1 ZINC000047211246 472671538 /nfs/dbraw/zinc/67/15/38/472671538.db2.gz GOBCEDVLGNZSIH-UHFFFAOYSA-N 1 2 345.424 2.673 10 5 EFBELO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C[N@H+]1CCc2sccc2C1 ZINC000047211246 472671543 /nfs/dbraw/zinc/67/15/43/472671543.db2.gz GOBCEDVLGNZSIH-UHFFFAOYSA-N 1 2 345.424 2.673 10 5 EFBELO Cc1cc(NCCNC(=O)C(C)C)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000048303261 472853120 /nfs/dbraw/zinc/85/31/20/472853120.db2.gz FIHHDRATQORDDJ-UHFFFAOYSA-N 1 2 343.387 2.544 10 5 EFBELO Cc1ccc(C[N@@H+]2CCNC(=O)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000092075587 472855579 /nfs/dbraw/zinc/85/55/79/472855579.db2.gz RNJOPQFZTNXPJR-SFHVURJKSA-N 1 2 339.395 2.966 10 5 EFBELO Cc1ccc(C[N@H+]2CCNC(=O)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000092075587 472855584 /nfs/dbraw/zinc/85/55/84/472855584.db2.gz RNJOPQFZTNXPJR-SFHVURJKSA-N 1 2 339.395 2.966 10 5 EFBELO Cc1ccc([C@@H]2C[N@H+](CCOc3ccccc3[N+](=O)[O-])CCO2)o1 ZINC000158744445 472964491 /nfs/dbraw/zinc/96/44/91/472964491.db2.gz JOJPUTWVMCTEEG-KRWDZBQOSA-N 1 2 332.356 2.949 10 5 EFBELO Cc1ccc([C@@H]2C[N@@H+](CCOc3ccccc3[N+](=O)[O-])CCO2)o1 ZINC000158744445 472964496 /nfs/dbraw/zinc/96/44/96/472964496.db2.gz JOJPUTWVMCTEEG-KRWDZBQOSA-N 1 2 332.356 2.949 10 5 EFBELO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2noc3c2CCCC3)CC1 ZINC000108850486 473061778 /nfs/dbraw/zinc/06/17/78/473061778.db2.gz VIHKTCPMWYNDRE-UHFFFAOYSA-N 1 2 342.399 2.784 10 5 EFBELO C[C@@H]1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000123221284 473113435 /nfs/dbraw/zinc/11/34/35/473113435.db2.gz BMFYUHRDKFJKAR-IAQYHMDHSA-N 1 2 332.335 2.654 10 5 EFBELO C[C@@H]1CN(c2cc(CNc3ccc([N+](=O)[O-])cc3)cc[nH+]2)CCO1 ZINC000075092150 473122628 /nfs/dbraw/zinc/12/26/28/473122628.db2.gz JEBQMRJJDAAQSH-CYBMUJFWSA-N 1 2 328.372 2.827 10 5 EFBELO CCCn1cc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)cn1 ZINC000160431345 473124677 /nfs/dbraw/zinc/12/46/77/473124677.db2.gz QIMWXCNDFMZKQZ-UHFFFAOYSA-N 1 2 329.404 2.524 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000160748599 473170834 /nfs/dbraw/zinc/17/08/34/473170834.db2.gz DJEARBIMDABGEJ-UHFFFAOYSA-N 1 2 332.385 2.600 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000160748599 473170840 /nfs/dbraw/zinc/17/08/40/473170840.db2.gz DJEARBIMDABGEJ-UHFFFAOYSA-N 1 2 332.385 2.600 10 5 EFBELO COc1cccc(N2CC[C@@H](CNc3cccc[nH+]3)C2)c1[N+](=O)[O-] ZINC000185312199 473393246 /nfs/dbraw/zinc/39/32/46/473393246.db2.gz OBQNDGABTKFLCB-ZDUSSCGKSA-N 1 2 328.372 2.937 10 5 EFBELO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177799219 473438310 /nfs/dbraw/zinc/43/83/10/473438310.db2.gz WNZMQKKPLKFZQW-CQSZACIVSA-N 1 2 346.412 2.575 10 5 EFBELO O=C(c1cc(F)c(F)cc1[N+](=O)[O-])N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000126869811 473554689 /nfs/dbraw/zinc/55/46/89/473554689.db2.gz BAOFBYCPAQKXTL-LLVKDONJSA-N 1 2 349.293 2.562 10 5 EFBELO C[C@@]1(C(N)=O)CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000185973703 473563102 /nfs/dbraw/zinc/56/31/02/473563102.db2.gz SDUITYUFJSCMMR-AWEZNQCLSA-N 1 2 345.321 2.844 10 5 EFBELO C[C@@]1(C(N)=O)CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000185973703 473563107 /nfs/dbraw/zinc/56/31/07/473563107.db2.gz SDUITYUFJSCMMR-AWEZNQCLSA-N 1 2 345.321 2.844 10 5 EFBELO C[C@@H]([NH2+][C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cn[nH]c1 ZINC000274012142 473703466 /nfs/dbraw/zinc/70/34/66/473703466.db2.gz KYKSBXXGPBJOCQ-NXEZZACHSA-N 1 2 328.332 2.780 10 5 EFBELO Cc1ccc(Cn2cc(Br)cc([N+](=O)[O-])c2=O)c(C)[nH+]1 ZINC000186632606 473707798 /nfs/dbraw/zinc/70/77/98/473707798.db2.gz QVMOEJQXJOUDDU-UHFFFAOYSA-N 1 2 338.161 2.579 10 5 EFBELO O=[N+]([O-])c1cc(C[N@@H+]2CCS[C@H]3COCC[C@H]32)ccc1Cl ZINC000246783933 473961198 /nfs/dbraw/zinc/96/11/98/473961198.db2.gz QXDVGMHXAMEIMO-OCCSQVGLSA-N 1 2 328.821 2.955 10 5 EFBELO O=[N+]([O-])c1cc(C[N@H+]2CCS[C@H]3COCC[C@H]32)ccc1Cl ZINC000246783933 473961204 /nfs/dbraw/zinc/96/12/04/473961204.db2.gz QXDVGMHXAMEIMO-OCCSQVGLSA-N 1 2 328.821 2.955 10 5 EFBELO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000194839662 473962065 /nfs/dbraw/zinc/96/20/65/473962065.db2.gz CJPYPHSANFLJBX-SWLSCSKDSA-N 1 2 328.372 2.823 10 5 EFBELO COc1cc(C(=O)NCc2[nH+]ccn2CC(C)C)cc([N+](=O)[O-])c1C ZINC000188055915 473966092 /nfs/dbraw/zinc/96/60/92/473966092.db2.gz QHBRRBUXONUYMV-UHFFFAOYSA-N 1 2 346.387 2.694 10 5 EFBELO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]1C(=O)N(CC)CC ZINC000175133289 474146678 /nfs/dbraw/zinc/14/66/78/474146678.db2.gz AYRYAPUHKXTQJI-INIZCTEOSA-N 1 2 349.431 2.826 10 5 EFBELO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]1C(=O)N(CC)CC ZINC000175133289 474146683 /nfs/dbraw/zinc/14/66/83/474146683.db2.gz AYRYAPUHKXTQJI-INIZCTEOSA-N 1 2 349.431 2.826 10 5 EFBELO COc1ccc(C[N@@H+]2CCC3(C2)Oc2ccccc2O3)cc1[N+](=O)[O-] ZINC000289127700 474157540 /nfs/dbraw/zinc/15/75/40/474157540.db2.gz XMMMJWLOTIGZDY-UHFFFAOYSA-N 1 2 342.351 2.977 10 5 EFBELO COc1ccc(C[N@H+]2CCC3(C2)Oc2ccccc2O3)cc1[N+](=O)[O-] ZINC000289127700 474157548 /nfs/dbraw/zinc/15/75/48/474157548.db2.gz XMMMJWLOTIGZDY-UHFFFAOYSA-N 1 2 342.351 2.977 10 5 EFBELO O=C1C[C@@]2(CC[N@@H+](Cc3cc(Cl)cc(Cl)c3[N+](=O)[O-])C2)CN1 ZINC000289360132 474235985 /nfs/dbraw/zinc/23/59/85/474235985.db2.gz IPKNPOVSYNKRHD-AWEZNQCLSA-N 1 2 344.198 2.614 10 5 EFBELO O=C1C[C@@]2(CC[N@H+](Cc3cc(Cl)cc(Cl)c3[N+](=O)[O-])C2)CN1 ZINC000289360132 474235992 /nfs/dbraw/zinc/23/59/92/474235992.db2.gz IPKNPOVSYNKRHD-AWEZNQCLSA-N 1 2 344.198 2.614 10 5 EFBELO Cn1c2c([nH+]c1[C@@H]1CCCN1c1ccc([N+](=O)[O-])cn1)CCCC2 ZINC000275562117 474237259 /nfs/dbraw/zinc/23/72/59/474237259.db2.gz IFJSAOYXXNKVGC-HNNXBMFYSA-N 1 2 327.388 2.944 10 5 EFBELO Cn1c2c([nH+]c1[C@@H]1CCCN1c1ncccc1[N+](=O)[O-])CCCC2 ZINC000275755888 474306410 /nfs/dbraw/zinc/30/64/10/474306410.db2.gz WMKCPOMTHGIXKJ-AWEZNQCLSA-N 1 2 327.388 2.944 10 5 EFBELO Cc1ccc(NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000176333755 474443208 /nfs/dbraw/zinc/44/32/08/474443208.db2.gz JIGLAZNULLHJRJ-CQSZACIVSA-N 1 2 329.360 2.796 10 5 EFBELO C[C@H]([NH2+]Cc1c(Br)cnn1C)c1cccc([N+](=O)[O-])c1 ZINC000278397021 474633233 /nfs/dbraw/zinc/63/32/33/474633233.db2.gz NFHMQMUWZHAPEO-VIFPVBQESA-N 1 2 339.193 2.942 10 5 EFBELO CC[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C[C@H]1COc2ccccc2O1 ZINC000338885558 474702538 /nfs/dbraw/zinc/70/25/38/474702538.db2.gz ZNKBTWCOIJSDBG-HNNXBMFYSA-N 1 2 344.367 2.962 10 5 EFBELO CC[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C[C@H]1COc2ccccc2O1 ZINC000338885558 474702540 /nfs/dbraw/zinc/70/25/40/474702540.db2.gz ZNKBTWCOIJSDBG-HNNXBMFYSA-N 1 2 344.367 2.962 10 5 EFBELO C[S@@](=O)C[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccccc1 ZINC000339073461 474901429 /nfs/dbraw/zinc/90/14/29/474901429.db2.gz YZHLZIZPTGMYCY-IQMFZBJNSA-N 1 2 334.397 2.510 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)Cc1ccc(S(C)(=O)=O)cc1 ZINC000273476749 474918403 /nfs/dbraw/zinc/91/84/03/474918403.db2.gz SXLIPHQSNWLQDS-UHFFFAOYSA-N 1 2 348.424 2.939 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)Cc1ccc(S(C)(=O)=O)cc1 ZINC000273476749 474918411 /nfs/dbraw/zinc/91/84/11/474918411.db2.gz SXLIPHQSNWLQDS-UHFFFAOYSA-N 1 2 348.424 2.939 10 5 EFBELO Cc1cn2cc(NC(=O)COc3ccccc3[N+](=O)[O-])ccc2[nH+]1 ZINC000339269916 475104112 /nfs/dbraw/zinc/10/41/12/475104112.db2.gz GUJSPCBNWKSYMN-UHFFFAOYSA-N 1 2 326.312 2.568 10 5 EFBELO Cc1cn2cc(NC(=O)COc3ccc([N+](=O)[O-])cc3)ccc2[nH+]1 ZINC000339273805 475109304 /nfs/dbraw/zinc/10/93/04/475109304.db2.gz ZQTFNXXCMJGGII-UHFFFAOYSA-N 1 2 326.312 2.568 10 5 EFBELO C[C@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC(=O)N1C ZINC000337540897 475110260 /nfs/dbraw/zinc/11/02/60/475110260.db2.gz KKBUMCKNRBXTMG-LBPRGKRZSA-N 1 2 329.356 2.517 10 5 EFBELO C[C@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC(=O)N1C ZINC000337540897 475110269 /nfs/dbraw/zinc/11/02/69/475110269.db2.gz KKBUMCKNRBXTMG-LBPRGKRZSA-N 1 2 329.356 2.517 10 5 EFBELO C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC(=O)N1C ZINC000337547491 475114760 /nfs/dbraw/zinc/11/47/60/475114760.db2.gz PMAXMYFJHGVCNG-GFCCVEGCSA-N 1 2 345.424 2.986 10 5 EFBELO C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC(=O)N1C ZINC000337547491 475114775 /nfs/dbraw/zinc/11/47/75/475114775.db2.gz PMAXMYFJHGVCNG-GFCCVEGCSA-N 1 2 345.424 2.986 10 5 EFBELO Cn1cc([N+](=O)[O-])c(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)n1 ZINC000345442168 475194058 /nfs/dbraw/zinc/19/40/58/475194058.db2.gz WIOWSHGCVHKAKC-UHFFFAOYSA-N 1 2 339.311 2.768 10 5 EFBELO O=[N+]([O-])c1cnn(CCNc2[nH+]cccc2OCc2ccccc2)c1 ZINC000354569857 475261682 /nfs/dbraw/zinc/26/16/82/475261682.db2.gz BOQBYVIRUSBSME-UHFFFAOYSA-N 1 2 339.355 2.877 10 5 EFBELO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+](CC(F)F)CC2CCC2)c1 ZINC000341748776 475270916 /nfs/dbraw/zinc/27/09/16/475270916.db2.gz BQWFHFPDKAMUGW-CQSZACIVSA-N 1 2 344.358 2.702 10 5 EFBELO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+](CC(F)F)CC2CCC2)c1 ZINC000341748776 475270921 /nfs/dbraw/zinc/27/09/21/475270921.db2.gz BQWFHFPDKAMUGW-CQSZACIVSA-N 1 2 344.358 2.702 10 5 EFBELO C/C(=C/c1nc(Cc2c[nH+]cn2C)no1)c1ccc([N+](=O)[O-])cc1 ZINC000357939240 475276995 /nfs/dbraw/zinc/27/69/95/475276995.db2.gz TVENWXOVBUSYNV-XFFZJAGNSA-N 1 2 325.328 2.863 10 5 EFBELO C[C@H](NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)c1ccccc1[N+](=O)[O-] ZINC000341923837 475416009 /nfs/dbraw/zinc/41/60/09/475416009.db2.gz PGNYSENRJRRJAY-LBPRGKRZSA-N 1 2 343.387 2.968 10 5 EFBELO C[C@H](NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)c1ccccc1[N+](=O)[O-] ZINC000341923837 475416020 /nfs/dbraw/zinc/41/60/20/475416020.db2.gz PGNYSENRJRRJAY-LBPRGKRZSA-N 1 2 343.387 2.968 10 5 EFBELO Cc1ccncc1C[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000361408552 475423393 /nfs/dbraw/zinc/42/33/93/475423393.db2.gz BXIHSKUUDZPIFS-UHFFFAOYSA-N 1 2 339.355 2.980 10 5 EFBELO Cc1ccncc1C[N@@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000361408552 475423404 /nfs/dbraw/zinc/42/34/04/475423404.db2.gz BXIHSKUUDZPIFS-UHFFFAOYSA-N 1 2 339.355 2.980 10 5 EFBELO COc1cc[nH+]cc1CNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000348286410 475563389 /nfs/dbraw/zinc/56/33/89/475563389.db2.gz YOMUVXXXDIDEEB-UHFFFAOYSA-N 1 2 335.747 2.890 10 5 EFBELO CCc1nnc(C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3F)CC2)[nH]1 ZINC000361660494 475641165 /nfs/dbraw/zinc/64/11/65/475641165.db2.gz KTFWPEROLHIPLQ-UHFFFAOYSA-N 1 2 333.367 2.794 10 5 EFBELO CCc1n[nH]c(C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3F)CC2)n1 ZINC000361660494 475641174 /nfs/dbraw/zinc/64/11/74/475641174.db2.gz KTFWPEROLHIPLQ-UHFFFAOYSA-N 1 2 333.367 2.794 10 5 EFBELO CCc1nc(C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3F)CC2)n[nH]1 ZINC000361660494 475641180 /nfs/dbraw/zinc/64/11/80/475641180.db2.gz KTFWPEROLHIPLQ-UHFFFAOYSA-N 1 2 333.367 2.794 10 5 EFBELO COc1cc(C[NH+]2CCN(c3cnccc3C)CC2)ccc1[N+](=O)[O-] ZINC000340109528 475765866 /nfs/dbraw/zinc/76/58/66/475765866.db2.gz RWXNHLRIVUJXLS-UHFFFAOYSA-N 1 2 342.399 2.629 10 5 EFBELO COC(=O)c1cc(C(C)(C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)no1 ZINC000353257211 475808673 /nfs/dbraw/zinc/80/86/73/475808673.db2.gz YOQFWGFCDANXCD-UHFFFAOYSA-N 1 2 333.344 2.703 10 5 EFBELO O=[N+]([O-])c1ccc2[nH]c(C[NH+]3CCN(c4ccccc4)CC3)nc2c1 ZINC000355437636 475936241 /nfs/dbraw/zinc/93/62/41/475936241.db2.gz MYHAPRNWOUWEFA-UHFFFAOYSA-N 1 2 337.383 2.793 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000298273643 476041542 /nfs/dbraw/zinc/04/15/42/476041542.db2.gz NWVWLGRZZPJZRM-DZGCQCFKSA-N 1 2 339.342 2.819 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000298273643 476041548 /nfs/dbraw/zinc/04/15/48/476041548.db2.gz NWVWLGRZZPJZRM-DZGCQCFKSA-N 1 2 339.342 2.819 10 5 EFBELO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H](c1cnn[nH]1)c1ccc(F)cc1 ZINC000340524604 476084699 /nfs/dbraw/zinc/08/46/99/476084699.db2.gz YLPZQPSPQLURJB-QGZVFWFLSA-N 1 2 341.346 2.774 10 5 EFBELO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H](c1cn[nH]n1)c1ccc(F)cc1 ZINC000340524604 476084703 /nfs/dbraw/zinc/08/47/03/476084703.db2.gz YLPZQPSPQLURJB-QGZVFWFLSA-N 1 2 341.346 2.774 10 5 EFBELO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H](c1c[nH]nn1)c1ccc(F)cc1 ZINC000340524604 476084711 /nfs/dbraw/zinc/08/47/11/476084711.db2.gz YLPZQPSPQLURJB-QGZVFWFLSA-N 1 2 341.346 2.774 10 5 EFBELO O=[N+]([O-])c1ccc(-c2noc(-c3cc(-n4cc[nH+]c4)ccn3)n2)s1 ZINC000347086631 476085301 /nfs/dbraw/zinc/08/53/01/476085301.db2.gz DMOHELUEZCTXCM-UHFFFAOYSA-N 1 2 340.324 2.954 10 5 EFBELO C[C@]12CC[N@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C[C@H]1C2(F)F ZINC000298427400 476089728 /nfs/dbraw/zinc/08/97/28/476089728.db2.gz YDOJYBJRANBELD-OCCSQVGLSA-N 1 2 325.315 2.510 10 5 EFBELO C[C@]12CC[N@@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C[C@H]1C2(F)F ZINC000298427400 476089734 /nfs/dbraw/zinc/08/97/34/476089734.db2.gz YDOJYBJRANBELD-OCCSQVGLSA-N 1 2 325.315 2.510 10 5 EFBELO O=[N+]([O-])c1c(NCc2[nH+]ccn2CC(F)(F)F)nc2sccn21 ZINC000340616510 476154613 /nfs/dbraw/zinc/15/46/13/476154613.db2.gz GRWUXJTUDBOEKN-UHFFFAOYSA-N 1 2 346.294 2.675 10 5 EFBELO Cn1ccnc1[C@@H]([NH2+]C[C@H]1CCC(C)(C)O1)c1ccc([N+](=O)[O-])cc1 ZINC000353669785 476174624 /nfs/dbraw/zinc/17/46/24/476174624.db2.gz FFAKEXYPXBGRPK-CVEARBPZSA-N 1 2 344.415 2.965 10 5 EFBELO O=C(CCn1cc[nH+]c1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000347292477 476236240 /nfs/dbraw/zinc/23/62/40/476236240.db2.gz OLFDVMUNHNBOTE-UHFFFAOYSA-N 1 2 339.149 2.583 10 5 EFBELO CC(=O)N1CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@H](C)C1 ZINC000353883436 476311200 /nfs/dbraw/zinc/31/12/00/476311200.db2.gz UCEVJWKDLYMDRY-CYBMUJFWSA-N 1 2 343.383 2.907 10 5 EFBELO CC(=O)N1CC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@H](C)C1 ZINC000353883436 476311205 /nfs/dbraw/zinc/31/12/05/476311205.db2.gz UCEVJWKDLYMDRY-CYBMUJFWSA-N 1 2 343.383 2.907 10 5 EFBELO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000377811211 476591524 /nfs/dbraw/zinc/59/15/24/476591524.db2.gz KHGOHZAFVPYVHT-NSHDSACASA-N 1 2 329.360 2.614 10 5 EFBELO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000377811211 476591529 /nfs/dbraw/zinc/59/15/29/476591529.db2.gz KHGOHZAFVPYVHT-NSHDSACASA-N 1 2 329.360 2.614 10 5 EFBELO COC(=O)c1cc(NCc2ccc(N(C)C)[nH+]c2)cc(C)c1[N+](=O)[O-] ZINC000354401451 476637850 /nfs/dbraw/zinc/63/78/50/476637850.db2.gz LNDXRRYDAVHREH-UHFFFAOYSA-N 1 2 344.371 2.763 10 5 EFBELO CC(=O)c1ccc([N+](=O)[O-])cc1NCc1cccnc1-n1cc[nH+]c1 ZINC000378045575 476678347 /nfs/dbraw/zinc/67/83/47/476678347.db2.gz TVIZECIESNCFIE-UHFFFAOYSA-N 1 2 337.339 2.990 10 5 EFBELO CC(C)[C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000446317008 476859778 /nfs/dbraw/zinc/85/97/78/476859778.db2.gz BGJATXMTAXQJBG-AWEZNQCLSA-N 1 2 328.372 2.899 10 5 EFBELO C[C@H]1C[C@H](O)C[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000401917908 476906120 /nfs/dbraw/zinc/90/61/20/476906120.db2.gz VBLGBPFMVDXSKI-CABZTGNLSA-N 1 2 329.194 2.560 10 5 EFBELO C[C@H]1C[C@H](O)C[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000401917908 476906123 /nfs/dbraw/zinc/90/61/23/476906123.db2.gz VBLGBPFMVDXSKI-CABZTGNLSA-N 1 2 329.194 2.560 10 5 EFBELO CC(C)(C)C1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000457354117 476985781 /nfs/dbraw/zinc/98/57/81/476985781.db2.gz MVINZJHBGQVZGW-UHFFFAOYSA-N 1 2 328.372 2.899 10 5 EFBELO O=[N+]([O-])c1ccc2[nH]c(NCCc3[nH]c4ccc(F)cc4[nH+]3)nc2c1 ZINC000447673754 477033888 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10 5 EFBELO CS(=O)(=O)CC[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000367824140 477706184 /nfs/dbraw/zinc/70/61/84/477706184.db2.gz QJEOUQFNITVSSP-CYBMUJFWSA-N 1 2 344.408 2.523 10 5 EFBELO CS(=O)(=O)CC[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000367824140 477706187 /nfs/dbraw/zinc/70/61/87/477706187.db2.gz QJEOUQFNITVSSP-CYBMUJFWSA-N 1 2 344.408 2.523 10 5 EFBELO CCOc1ccc(C(=O)N[C@@H](C)c2[nH+]ccn2CC)cc1[N+](=O)[O-] ZINC000456374331 477894731 /nfs/dbraw/zinc/89/47/31/477894731.db2.gz GMTNTFRPSSSESS-NSHDSACASA-N 1 2 332.360 2.701 10 5 EFBELO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000438948271 477908600 /nfs/dbraw/zinc/90/86/00/477908600.db2.gz BEDOBJGVCJOCCZ-LLVKDONJSA-N 1 2 348.790 2.920 10 5 EFBELO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CC[C@@](O)(C(F)F)C2)c1 ZINC000451425462 478010296 /nfs/dbraw/zinc/01/02/96/478010296.db2.gz HHVOXVIFGKTABY-LBPRGKRZSA-N 1 2 340.248 2.816 10 5 EFBELO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CC[C@@](O)(C(F)F)C2)c1 ZINC000451425462 478010301 /nfs/dbraw/zinc/01/03/01/478010301.db2.gz HHVOXVIFGKTABY-LBPRGKRZSA-N 1 2 340.248 2.816 10 5 EFBELO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000451430954 478015540 /nfs/dbraw/zinc/01/55/40/478015540.db2.gz MQRZDGOTUKBXRM-HNNXBMFYSA-N 1 2 330.331 2.584 10 5 EFBELO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@](O)(C(F)F)C1 ZINC000451430954 478015551 /nfs/dbraw/zinc/01/55/51/478015551.db2.gz MQRZDGOTUKBXRM-HNNXBMFYSA-N 1 2 330.331 2.584 10 5 EFBELO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCc1ccc[nH+]c1N(C)C ZINC000429209535 478079633 /nfs/dbraw/zinc/07/96/33/478079633.db2.gz VAOHTQSARWDPSE-UHFFFAOYSA-N 1 2 344.371 2.763 10 5 EFBELO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000562484124 478255640 /nfs/dbraw/zinc/25/56/40/478255640.db2.gz SEXMPRKYGVKQGC-UONOGXRCSA-N 1 2 349.434 2.846 10 5 EFBELO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000562484124 478255643 /nfs/dbraw/zinc/25/56/43/478255643.db2.gz SEXMPRKYGVKQGC-UONOGXRCSA-N 1 2 349.434 2.846 10 5 EFBELO C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C[C@@H]1F ZINC000590698316 478296221 /nfs/dbraw/zinc/29/62/21/478296221.db2.gz DRXZDVQMDNXEDD-AAEUAGOBSA-N 1 2 332.335 2.601 10 5 EFBELO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@@]2(CCSC2)C1 ZINC000520575492 478325888 /nfs/dbraw/zinc/32/58/88/478325888.db2.gz PPAWWHAEOMAKGC-INIZCTEOSA-N 1 2 338.429 2.701 10 5 EFBELO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@@]2(CCSC2)C1 ZINC000520575492 478325896 /nfs/dbraw/zinc/32/58/96/478325896.db2.gz PPAWWHAEOMAKGC-INIZCTEOSA-N 1 2 338.429 2.701 10 5 EFBELO Cc1cc(NC2(CCO)CCCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000520726795 478336194 /nfs/dbraw/zinc/33/61/94/478336194.db2.gz TVACSJFGAKXKLE-UHFFFAOYSA-N 1 2 342.399 2.889 10 5 EFBELO O=C([C@H]1CCc2[nH+]c[nH]c2C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000597409762 478336859 /nfs/dbraw/zinc/33/68/59/478336859.db2.gz HEFZMAWXDMZYBL-ZDUSSCGKSA-N 1 2 340.383 2.614 10 5 EFBELO O=C([C@H]1CCc2[nH]c[nH+]c2C1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000597409762 478336864 /nfs/dbraw/zinc/33/68/64/478336864.db2.gz HEFZMAWXDMZYBL-ZDUSSCGKSA-N 1 2 340.383 2.614 10 5 EFBELO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000580393849 478361275 /nfs/dbraw/zinc/36/12/75/478361275.db2.gz GEQGXAXEXYQCDK-UONOGXRCSA-N 1 2 349.434 2.846 10 5 EFBELO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000580393849 478361283 /nfs/dbraw/zinc/36/12/83/478361283.db2.gz GEQGXAXEXYQCDK-UONOGXRCSA-N 1 2 349.434 2.846 10 5 EFBELO COc1cc(C[NH+]2CC(CC(F)(F)F)C2)c([N+](=O)[O-])cc1OC ZINC000590969222 478424055 /nfs/dbraw/zinc/42/40/55/478424055.db2.gz RFRLNYAHRUQNFS-UHFFFAOYSA-N 1 2 334.294 2.996 10 5 EFBELO Cc1[nH+]cn(CCCCc2noc(-c3ccc([N+](=O)[O-])[nH]3)n2)c1C ZINC000594533592 478427984 /nfs/dbraw/zinc/42/79/84/478427984.db2.gz CFWBLABRBDNBKJ-UHFFFAOYSA-N 1 2 330.348 2.809 10 5 EFBELO O=C(CC[N@@H+]1CCOC[C@H]1c1ccco1)Nc1ccc([N+](=O)[O-])cc1 ZINC000591014519 478432562 /nfs/dbraw/zinc/43/25/62/478432562.db2.gz FFEGKSSBAVRWAZ-HNNXBMFYSA-N 1 2 345.355 2.590 10 5 EFBELO O=C(CC[N@H+]1CCOC[C@H]1c1ccco1)Nc1ccc([N+](=O)[O-])cc1 ZINC000591014519 478432573 /nfs/dbraw/zinc/43/25/73/478432573.db2.gz FFEGKSSBAVRWAZ-HNNXBMFYSA-N 1 2 345.355 2.590 10 5 EFBELO O=C(CC[N@@H+]1CCOC[C@@H]1c1ccco1)Nc1ccc([N+](=O)[O-])cc1 ZINC000591014520 478432844 /nfs/dbraw/zinc/43/28/44/478432844.db2.gz FFEGKSSBAVRWAZ-OAHLLOKOSA-N 1 2 345.355 2.590 10 5 EFBELO O=C(CC[N@H+]1CCOC[C@@H]1c1ccco1)Nc1ccc([N+](=O)[O-])cc1 ZINC000591014520 478432859 /nfs/dbraw/zinc/43/28/59/478432859.db2.gz FFEGKSSBAVRWAZ-OAHLLOKOSA-N 1 2 345.355 2.590 10 5 EFBELO COc1c(C)[nH+]cnc1NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000594576231 478444593 /nfs/dbraw/zinc/44/45/93/478444593.db2.gz XZWYBXYJOHQGSC-UHFFFAOYSA-N 1 2 342.277 2.755 10 5 EFBELO COCC1(CNc2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000594591300 478451688 /nfs/dbraw/zinc/45/16/88/478451688.db2.gz BXSDDMOIXWDEIG-UHFFFAOYSA-N 1 2 328.372 2.621 10 5 EFBELO CC(=O)c1cc(NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000594591800 478452172 /nfs/dbraw/zinc/45/21/72/478452172.db2.gz LEMIKKINWBTMRG-RWMBFGLXSA-N 1 2 335.404 2.707 10 5 EFBELO CC(=O)c1cc(NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000594591800 478452176 /nfs/dbraw/zinc/45/21/76/478452176.db2.gz LEMIKKINWBTMRG-RWMBFGLXSA-N 1 2 335.404 2.707 10 5 EFBELO O=[N+]([O-])c1ccc(CCO)c(-c2ccc(N3CCSCC3)[nH+]c2)c1 ZINC000600790990 478523976 /nfs/dbraw/zinc/52/39/76/478523976.db2.gz CLISWGJSMFXQQH-UHFFFAOYSA-N 1 2 345.424 2.745 10 5 EFBELO C[C@@H]1CCC[C@H](C[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)O1 ZINC000595081384 478653662 /nfs/dbraw/zinc/65/36/62/478653662.db2.gz SABHAQVRHXLUGM-XYPHTWIQSA-N 1 2 344.415 2.965 10 5 EFBELO O=[N+]([O-])c1cc(F)cnc1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000601130656 478675631 /nfs/dbraw/zinc/67/56/31/478675631.db2.gz NGRJIIPKOVJVCN-UHFFFAOYSA-N 1 2 334.326 2.590 10 5 EFBELO CCOC(=O)c1c(C)n[nH]c1C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000595427073 478772889 /nfs/dbraw/zinc/77/28/89/478772889.db2.gz WWBDEYLHGPHYNQ-JTQLQIEISA-N 1 2 332.360 2.654 10 5 EFBELO C[C@@H]1C[C@H]([NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)[C@@H](C)O1 ZINC000601299346 478773316 /nfs/dbraw/zinc/77/33/16/478773316.db2.gz PMQFMLYLWSYHQR-AVRGHOLYSA-N 1 2 330.388 2.573 10 5 EFBELO C[C@@H]1C[C@]2(CCO1)C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@H](C)O2 ZINC000595476453 478807550 /nfs/dbraw/zinc/80/75/50/478807550.db2.gz RCUXYHITMOCIJE-IIYDPXPESA-N 1 2 338.379 2.892 10 5 EFBELO C[C@@H]1C[C@]2(CCO1)C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@H](C)O2 ZINC000595476453 478807561 /nfs/dbraw/zinc/80/75/61/478807561.db2.gz RCUXYHITMOCIJE-IIYDPXPESA-N 1 2 338.379 2.892 10 5 EFBELO C[C@@H]1C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@@]2(CCO[C@H](C)C2)O1 ZINC000595476471 478807590 /nfs/dbraw/zinc/80/75/90/478807590.db2.gz RCUXYHITMOCIJE-XNJGSVPQSA-N 1 2 338.379 2.892 10 5 EFBELO C[C@@H]1C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@@]2(CCO[C@H](C)C2)O1 ZINC000595476471 478807596 /nfs/dbraw/zinc/80/75/96/478807596.db2.gz RCUXYHITMOCIJE-XNJGSVPQSA-N 1 2 338.379 2.892 10 5 EFBELO C[C@H](NC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)c1[nH+]ccn1C ZINC000595518635 478831227 /nfs/dbraw/zinc/83/12/27/478831227.db2.gz IVRXFLLDKWCGJN-ZDUSSCGKSA-N 1 2 345.403 2.711 10 5 EFBELO COc1ncncc1C[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000592367469 478869206 /nfs/dbraw/zinc/86/92/06/478869206.db2.gz WQGPVTKICGTLFX-UHFFFAOYSA-N 1 2 342.277 2.702 10 5 EFBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2C[C@H](C)OC3(CCCC3)C2)c1 ZINC000592528690 478934077 /nfs/dbraw/zinc/93/40/77/478934077.db2.gz ARUIRYBDTOZKAC-ZDUSSCGKSA-N 1 2 348.399 2.915 10 5 EFBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@H](C)OC3(CCCC3)C2)c1 ZINC000592528690 478934084 /nfs/dbraw/zinc/93/40/84/478934084.db2.gz ARUIRYBDTOZKAC-ZDUSSCGKSA-N 1 2 348.399 2.915 10 5 EFBELO COC(=O)[C@@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@H]2CCCC[C@@H]12 ZINC000595736229 478967979 /nfs/dbraw/zinc/96/79/79/478967979.db2.gz ZZXXOSLTUGIYAQ-UXLLHSPISA-N 1 2 348.399 2.854 10 5 EFBELO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@H]2CCCC[C@@H]12 ZINC000595736229 478967981 /nfs/dbraw/zinc/96/79/81/478967981.db2.gz ZZXXOSLTUGIYAQ-UXLLHSPISA-N 1 2 348.399 2.854 10 5 EFBELO CCC1([NH+]2CCCC2)CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])CC1 ZINC000601745079 478982466 /nfs/dbraw/zinc/98/24/66/478982466.db2.gz QIGQDEXTLXTXCZ-UHFFFAOYSA-N 1 2 347.415 2.781 10 5 EFBELO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)CC(F)F ZINC000592671766 478990123 /nfs/dbraw/zinc/99/01/23/478990123.db2.gz FEOZBNBGONWQTH-SNVBAGLBSA-N 1 2 338.314 2.802 10 5 EFBELO Cn1c2ccccc2[nH+]c1Cn1c(=O)c([N+](=O)[O-])cc2c1CCCC2 ZINC000573247682 479023489 /nfs/dbraw/zinc/02/34/89/479023489.db2.gz FNFXBCUZUGVDCU-UHFFFAOYSA-N 1 2 338.367 2.570 10 5 EFBELO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCc2c(cccc2C(N)=O)C1 ZINC000595904407 479061468 /nfs/dbraw/zinc/06/14/68/479061468.db2.gz YCWWRDMAFGLKHM-GFCCVEGCSA-N 1 2 325.368 2.813 10 5 EFBELO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCc2c(cccc2C(N)=O)C1 ZINC000595904407 479061475 /nfs/dbraw/zinc/06/14/75/479061475.db2.gz YCWWRDMAFGLKHM-GFCCVEGCSA-N 1 2 325.368 2.813 10 5 EFBELO C[C@@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@@](C)(C(F)F)O1 ZINC000595914502 479069451 /nfs/dbraw/zinc/06/94/51/479069451.db2.gz HQYZFRGVKVKLPH-ABAIWWIYSA-N 1 2 330.331 2.718 10 5 EFBELO C[C@@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@@](C)(C(F)F)O1 ZINC000595914502 479069457 /nfs/dbraw/zinc/06/94/57/479069457.db2.gz HQYZFRGVKVKLPH-ABAIWWIYSA-N 1 2 330.331 2.718 10 5 EFBELO CN1CCCC[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2Cl)C1=O ZINC000601969752 479101381 /nfs/dbraw/zinc/10/13/81/479101381.db2.gz KVGVRCCZAOWXMV-CQSZACIVSA-N 1 2 325.796 2.691 10 5 EFBELO CN1CCCC[C@@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2Cl)C1=O ZINC000601969752 479101389 /nfs/dbraw/zinc/10/13/89/479101389.db2.gz KVGVRCCZAOWXMV-CQSZACIVSA-N 1 2 325.796 2.691 10 5 EFBELO CCOc1cc(C[N@@H+]2CCO[C@@H](C(F)F)CC2)ccc1[N+](=O)[O-] ZINC000601977891 479106536 /nfs/dbraw/zinc/10/65/36/479106536.db2.gz VPCQROLZDXLOBZ-CYBMUJFWSA-N 1 2 330.331 2.850 10 5 EFBELO CCOc1cc(C[N@H+]2CCO[C@@H](C(F)F)CC2)ccc1[N+](=O)[O-] ZINC000601977891 479106542 /nfs/dbraw/zinc/10/65/42/479106542.db2.gz VPCQROLZDXLOBZ-CYBMUJFWSA-N 1 2 330.331 2.850 10 5 EFBELO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H](C)c2c(C)noc2C)c1 ZINC000593018641 479127205 /nfs/dbraw/zinc/12/72/05/479127205.db2.gz DRIYEEJZQJPIFY-SECBINFHSA-N 1 2 333.344 2.837 10 5 EFBELO COCC[C@H]([NH2+]Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])c1ccco1 ZINC000593023579 479130140 /nfs/dbraw/zinc/13/01/40/479130140.db2.gz WFHMIBBPFOXTDJ-AWEZNQCLSA-N 1 2 348.355 2.842 10 5 EFBELO CCCNC(=O)[C@H]1CCCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599035700 479133407 /nfs/dbraw/zinc/13/34/07/479133407.db2.gz MKOHAYAPGVKEGU-AWEZNQCLSA-N 1 2 342.399 2.886 10 5 EFBELO NC(=O)CC[C@H]1CCCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599038898 479135624 /nfs/dbraw/zinc/13/56/24/479135624.db2.gz VXCFWMAMHRWNIW-GFCCVEGCSA-N 1 2 328.372 2.625 10 5 EFBELO O=C1CCCN1[C@@H]1CCCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599044428 479136510 /nfs/dbraw/zinc/13/65/10/479136510.db2.gz SFTUEPIRKQQWDH-CQSZACIVSA-N 1 2 340.383 2.734 10 5 EFBELO O=C1CCCN1[C@H]1CCCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599044427 479137217 /nfs/dbraw/zinc/13/72/17/479137217.db2.gz SFTUEPIRKQQWDH-AWEZNQCLSA-N 1 2 340.383 2.734 10 5 EFBELO C[C@@H]1C[C@@H]1N1C[C@@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1=O ZINC000599053380 479139281 /nfs/dbraw/zinc/13/92/81/479139281.db2.gz SLKSOEDNYLOEBK-GMXABZIVSA-N 1 2 326.356 2.564 10 5 EFBELO C[C@@H]1C[C@H]1N1C[C@@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1=O ZINC000599053391 479139626 /nfs/dbraw/zinc/13/96/26/479139626.db2.gz SLKSOEDNYLOEBK-IFUGULHKSA-N 1 2 326.356 2.564 10 5 EFBELO COc1cc(N[C@H](C)[C@@H](C)[NH+]2CCOCC2)c(Cl)cc1[N+](=O)[O-] ZINC000596114957 479146460 /nfs/dbraw/zinc/14/64/60/479146460.db2.gz PHFUIOVMLRASCS-GHMZBOCLSA-N 1 2 343.811 2.778 10 5 EFBELO CC1(C)CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000599069966 479147620 /nfs/dbraw/zinc/14/76/20/479147620.db2.gz DSUMNOKBMVLXNE-GOSISDBHSA-N 1 2 343.383 2.917 10 5 EFBELO CC(C)OC[C@H]1CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CCO1 ZINC000599067466 479147841 /nfs/dbraw/zinc/14/78/41/479147841.db2.gz DWZKPEQFCRRXRL-CQSZACIVSA-N 1 2 331.372 2.773 10 5 EFBELO CC1(C)CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CCS1(=O)=O ZINC000599072382 479149970 /nfs/dbraw/zinc/14/99/70/479149970.db2.gz DFVPCFLYEFDRML-UHFFFAOYSA-N 1 2 349.412 2.547 10 5 EFBELO CC(C)NC(=O)[C@H]1CCCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599111069 479165027 /nfs/dbraw/zinc/16/50/27/479165027.db2.gz JUEKGSMTJPHUOK-AWEZNQCLSA-N 1 2 342.399 2.884 10 5 EFBELO COC(=O)c1cc(N2CCC[C@@H](n3cc[nH+]c3)C2)cc(C)c1[N+](=O)[O-] ZINC000610769863 479182078 /nfs/dbraw/zinc/18/20/78/479182078.db2.gz NZWNZYUPVXSNIB-CYBMUJFWSA-N 1 2 344.371 2.728 10 5 EFBELO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H]1CS(=O)(=O)c2ccccc21 ZINC000573981873 479188300 /nfs/dbraw/zinc/18/83/00/479188300.db2.gz ZGLCKUOMYDWALI-HUUCEWRRSA-N 1 2 344.392 2.700 10 5 EFBELO Cc1cc(N2CCO[C@@H](CCF)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000599168441 479192554 /nfs/dbraw/zinc/19/25/54/479192554.db2.gz DUMDJVDYEPBZRO-HNNXBMFYSA-N 1 2 346.362 2.925 10 5 EFBELO Cc1cc(N[C@@H]2CO[C@H](C3CC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000599181911 479197881 /nfs/dbraw/zinc/19/78/81/479197881.db2.gz VCUVNZGVHYUEJW-HOCLYGCPSA-N 1 2 340.383 2.762 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000599183479 479200183 /nfs/dbraw/zinc/20/01/83/479200183.db2.gz PCTKOZOGUWHUMN-KRWDZBQOSA-N 1 2 342.399 2.611 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000599183479 479200189 /nfs/dbraw/zinc/20/01/89/479200189.db2.gz PCTKOZOGUWHUMN-KRWDZBQOSA-N 1 2 342.399 2.611 10 5 EFBELO Cc1cccc(NC[C@@H]2C[N@H+](Cc3ccncc3)CCO2)c1[N+](=O)[O-] ZINC000599185433 479201315 /nfs/dbraw/zinc/20/13/15/479201315.db2.gz UWVAAENGIUMWEZ-MRXNPFEDSA-N 1 2 342.399 2.611 10 5 EFBELO Cc1cccc(NC[C@@H]2C[N@@H+](Cc3ccncc3)CCO2)c1[N+](=O)[O-] ZINC000599185433 479201324 /nfs/dbraw/zinc/20/13/24/479201324.db2.gz UWVAAENGIUMWEZ-MRXNPFEDSA-N 1 2 342.399 2.611 10 5 EFBELO C[NH+](C)[C@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])C1CCCCC1 ZINC000556783100 479204995 /nfs/dbraw/zinc/20/49/95/479204995.db2.gz QNNNJQCUEOYZFL-MRXNPFEDSA-N 1 2 335.404 2.541 10 5 EFBELO CO[C@H]1C[C@@H](CNc2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000599206923 479209989 /nfs/dbraw/zinc/20/99/89/479209989.db2.gz RKDUKEJKZWPDKH-JNSHFYNHSA-N 1 2 328.372 2.619 10 5 EFBELO O=c1[nH]ccc(N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000596231035 479212322 /nfs/dbraw/zinc/21/23/22/479212322.db2.gz FVFHQYWWQUHSDF-HAQNSBGRSA-N 1 2 329.360 2.926 10 5 EFBELO CCO[C@H]1C[C@H](Nc2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000596439282 479295686 /nfs/dbraw/zinc/29/56/86/479295686.db2.gz CORYTMGVQPLNDG-CTYIDZIISA-N 1 2 328.372 2.762 10 5 EFBELO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@@H](C(F)F)C2)c([N+](=O)[O-])c1 ZINC000611179598 479303056 /nfs/dbraw/zinc/30/30/56/479303056.db2.gz FQOYJMUOOYDSJI-SNVBAGLBSA-N 1 2 343.330 2.519 10 5 EFBELO CCOc1ccc(NC(=O)C[N@H+]2CC[C@@H](C(F)F)C2)c([N+](=O)[O-])c1 ZINC000611179598 479303063 /nfs/dbraw/zinc/30/30/63/479303063.db2.gz FQOYJMUOOYDSJI-SNVBAGLBSA-N 1 2 343.330 2.519 10 5 EFBELO O=[N+]([O-])c1cc(C[NH+]2CC3(C2)CC(F)(F)C3)c2c(c1)COCO2 ZINC000611180320 479305432 /nfs/dbraw/zinc/30/54/32/479305432.db2.gz BNQSITPZELVTIA-UHFFFAOYSA-N 1 2 326.299 2.692 10 5 EFBELO Cc1cc(NCC2CCC(O)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000596515067 479324461 /nfs/dbraw/zinc/32/44/61/479324461.db2.gz NQZKFZCZDGLBGT-UHFFFAOYSA-N 1 2 342.399 2.745 10 5 EFBELO CC(C)NC(=O)[C@@H]1CCCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000596535032 479332322 /nfs/dbraw/zinc/33/23/22/479332322.db2.gz FEDDAHLDBBUKPN-CQSZACIVSA-N 1 2 342.399 2.884 10 5 EFBELO COc1ccc(C[N@@H+]2Cc3c[nH]nc3CC(C)(C)C2)cc1[N+](=O)[O-] ZINC000596598083 479353887 /nfs/dbraw/zinc/35/38/87/479353887.db2.gz ADVDYGTYAVOMNL-UHFFFAOYSA-N 1 2 330.388 2.911 10 5 EFBELO COc1ccc(C[N@H+]2Cc3c[nH]nc3CC(C)(C)C2)cc1[N+](=O)[O-] ZINC000596598083 479353894 /nfs/dbraw/zinc/35/38/94/479353894.db2.gz ADVDYGTYAVOMNL-UHFFFAOYSA-N 1 2 330.388 2.911 10 5 EFBELO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000599631093 479360682 /nfs/dbraw/zinc/36/06/82/479360682.db2.gz XDZFXMLHUWUETM-YUELXQCFSA-N 1 2 338.429 2.616 10 5 EFBELO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000599631093 479360686 /nfs/dbraw/zinc/36/06/86/479360686.db2.gz XDZFXMLHUWUETM-YUELXQCFSA-N 1 2 338.429 2.616 10 5 EFBELO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000599631083 479361010 /nfs/dbraw/zinc/36/10/10/479361010.db2.gz XDZFXMLHUWUETM-CFVMTHIKSA-N 1 2 338.429 2.616 10 5 EFBELO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000599631083 479361016 /nfs/dbraw/zinc/36/10/16/479361016.db2.gz XDZFXMLHUWUETM-CFVMTHIKSA-N 1 2 338.429 2.616 10 5 EFBELO CC(C)c1ccc(C(=O)N[C@H]2CCc3c[nH+]cn3C2)cc1[N+](=O)[O-] ZINC000587056695 479369393 /nfs/dbraw/zinc/36/93/93/479369393.db2.gz MFPMRTOXBMUGKJ-ZDUSSCGKSA-N 1 2 328.372 2.660 10 5 EFBELO Cc1ccc([C@H](C)NC(=O)Cc2cn3c([nH+]2)CCCC3)cc1[N+](=O)[O-] ZINC000593507858 479370402 /nfs/dbraw/zinc/37/04/02/479370402.db2.gz NQBCYQTVSISUBK-ZDUSSCGKSA-N 1 2 342.399 2.856 10 5 EFBELO Cc1cc(NCCC2(CO)CCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000593511946 479371611 /nfs/dbraw/zinc/37/16/11/479371611.db2.gz HHRYUXCVOCDRLA-UHFFFAOYSA-N 1 2 342.399 2.747 10 5 EFBELO COC(=O)[C@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)Cc2ccccc21 ZINC000599671427 479381906 /nfs/dbraw/zinc/38/19/06/479381906.db2.gz YKCNZNBNJOYOFQ-AWEZNQCLSA-N 1 2 332.381 2.929 10 5 EFBELO COC(=O)[C@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)Cc2ccccc21 ZINC000599671427 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2.873 10 5 EFBELO CC(C)(C(=O)N1CC(Oc2cc[nH+]cc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000610063133 480232480 /nfs/dbraw/zinc/23/24/80/480232480.db2.gz CWHAUTQZKCRMMK-UHFFFAOYSA-N 1 2 341.367 2.557 10 5 EFBELO CCCn1nccc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032665831 519891574 /nfs/dbraw/zinc/89/15/74/519891574.db2.gz LLSRDEWPLXGXRR-UHFFFAOYSA-N 1 2 340.343 2.639 10 5 EFBELO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CCCO[C@@H](C)C1 ZINC000245404169 526129956 /nfs/dbraw/zinc/12/99/56/526129956.db2.gz OFRUAUNWOHEGFC-WDEREUQCSA-N 1 2 341.795 2.686 10 5 EFBELO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCCO[C@@H](C)C1 ZINC000245404169 526129965 /nfs/dbraw/zinc/12/99/65/526129965.db2.gz OFRUAUNWOHEGFC-WDEREUQCSA-N 1 2 341.795 2.686 10 5 EFBELO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000182806913 527527198 /nfs/dbraw/zinc/52/71/98/527527198.db2.gz FHKJGUFBEWNKQR-FYQHACEVSA-N 1 2 328.372 2.647 10 5 EFBELO C[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccc([S@](C)=O)cc1 ZINC000339074069 545922320 /nfs/dbraw/zinc/92/23/20/545922320.db2.gz ILOBVGHQNDDWBM-BGJPBQGDSA-N 1 2 334.397 2.889 10 5 EFBELO C[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccc([S@@](C)=O)cc1 ZINC000339074071 545922571 /nfs/dbraw/zinc/92/25/71/545922571.db2.gz ILOBVGHQNDDWBM-BSNNYGBQSA-N 1 2 334.397 2.889 10 5 EFBELO O=C(N[C@@H]1CC12CCCC2)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000430212485 546226299 /nfs/dbraw/zinc/22/62/99/546226299.db2.gz NNKALDYUHIEBMI-OAHLLOKOSA-N 1 2 326.356 2.843 10 5 EFBELO O=C(NC[C@@H]1C[C@H]1C1CC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000456868970 546260387 /nfs/dbraw/zinc/26/03/87/546260387.db2.gz DBXFMQGITHJGKR-KBPBESRZSA-N 1 2 326.356 2.556 10 5 EFBELO Cc1cc(F)ccc1[C@@H](O)C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000754219754 575407524 /nfs/dbraw/zinc/40/75/24/575407524.db2.gz VVANJJGEVBLWQZ-KRWDZBQOSA-N 1 2 331.347 2.529 10 5 EFBELO Cc1cc(F)ccc1[C@@H](O)C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 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CC[NH+](CC)[C@@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])c1ccco1 ZINC000346278131 142182098 /nfs/dbraw/zinc/18/20/98/142182098.db2.gz IENPTYMTWFLVQQ-HNNXBMFYSA-N 1 2 347.371 2.706 10 5 EFBELO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCN(c2ccc(F)cn2)CC1 ZINC000349405023 142327857 /nfs/dbraw/zinc/32/78/57/142327857.db2.gz GWOLFGOOJNAATA-HWKANZROSA-N 1 2 342.374 2.964 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)CC(=O)NCc1cccs1 ZINC000349960505 142383636 /nfs/dbraw/zinc/38/36/36/142383636.db2.gz FJGFGPBIARDZIM-UHFFFAOYSA-N 1 2 333.413 2.713 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CC(=O)NCc1cccs1 ZINC000349960505 142383639 /nfs/dbraw/zinc/38/36/39/142383639.db2.gz FJGFGPBIARDZIM-UHFFFAOYSA-N 1 2 333.413 2.713 10 5 EFBELO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000342374464 145111466 /nfs/dbraw/zinc/11/14/66/145111466.db2.gz UBWATVJNQIHPGB-GFCCVEGCSA-N 1 2 346.362 2.581 10 5 EFBELO CC(C)CC[NH+]1CCC(CNC(=O)c2cccc(O)c2[N+](=O)[O-])CC1 ZINC000343762913 145288977 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COC(=O)c1ccc([N+](=O)[O-])c(NCc2cn3ccc(C)cc3[nH+]2)c1 ZINC000360143510 148282921 /nfs/dbraw/zinc/28/29/21/148282921.db2.gz JAZFFUJQSUOEPP-UHFFFAOYSA-N 1 2 340.339 2.950 10 5 EFBELO Cc1cc(F)cc([C@]2(F)CC[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)c1 ZINC000374330082 151324536 /nfs/dbraw/zinc/32/45/36/151324536.db2.gz WGJIBWGSHCZIEK-INIZCTEOSA-N 1 2 336.342 2.810 10 5 EFBELO Cc1cc(F)cc([C@]2(F)CC[N@@H+](CCn3ccc([N+](=O)[O-])n3)C2)c1 ZINC000374330082 151324539 /nfs/dbraw/zinc/32/45/39/151324539.db2.gz WGJIBWGSHCZIEK-INIZCTEOSA-N 1 2 336.342 2.810 10 5 EFBELO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000378074406 152001962 /nfs/dbraw/zinc/00/19/62/152001962.db2.gz JBVXKWYJTXGVBX-UHFFFAOYSA-N 1 2 334.763 2.991 10 5 EFBELO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378074406 152001963 /nfs/dbraw/zinc/00/19/63/152001963.db2.gz JBVXKWYJTXGVBX-UHFFFAOYSA-N 1 2 334.763 2.991 10 5 EFBELO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000378077753 152003136 /nfs/dbraw/zinc/00/31/36/152003136.db2.gz NOBGATPRVFWPHS-UHFFFAOYSA-N 1 2 334.763 2.991 10 5 EFBELO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378077753 152003138 /nfs/dbraw/zinc/00/31/38/152003138.db2.gz NOBGATPRVFWPHS-UHFFFAOYSA-N 1 2 334.763 2.991 10 5 EFBELO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000245523469 292295996 /nfs/dbraw/zinc/29/59/96/292295996.db2.gz MWAOUWDEFHBINE-GOEBONIOSA-N 1 2 330.388 2.562 10 5 EFBELO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000245523469 292295997 /nfs/dbraw/zinc/29/59/97/292295997.db2.gz MWAOUWDEFHBINE-GOEBONIOSA-N 1 2 330.388 2.562 10 5 EFBELO CC[C@@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@H](CC)CN1C(C)=O ZINC000339009776 287183021 /nfs/dbraw/zinc/18/30/21/287183021.db2.gz JHGHLTVLESNPIM-HUUCEWRRSA-N 1 2 335.404 2.522 10 5 EFBELO CC[C@@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@H](CC)CN1C(C)=O ZINC000339009776 287183022 /nfs/dbraw/zinc/18/30/22/287183022.db2.gz JHGHLTVLESNPIM-HUUCEWRRSA-N 1 2 335.404 2.522 10 5 EFBELO Cc1c(C[N@@H+]2CCOC[C@@H]2C[C@H](O)c2ccco2)cccc1[N+](=O)[O-] ZINC000159629927 225251707 /nfs/dbraw/zinc/25/17/07/225251707.db2.gz HWJNZHUYOAQFTF-RDJZCZTQSA-N 1 2 346.383 2.821 10 5 EFBELO Cc1c(C[N@H+]2CCOC[C@@H]2C[C@H](O)c2ccco2)cccc1[N+](=O)[O-] ZINC000159629927 225251712 /nfs/dbraw/zinc/25/17/12/225251712.db2.gz HWJNZHUYOAQFTF-RDJZCZTQSA-N 1 2 346.383 2.821 10 5 EFBELO NC(=O)c1coc(C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 ZINC000189423048 265189789 /nfs/dbraw/zinc/18/97/89/265189789.db2.gz GFGLIAWIOOCBHF-UHFFFAOYSA-N 1 2 341.323 2.837 10 5 EFBELO C[C@H](NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1ccccc1[N+](=O)[O-] ZINC000271670733 266037800 /nfs/dbraw/zinc/03/78/00/266037800.db2.gz MXFDNAYRFKMCMC-LBPRGKRZSA-N 1 2 343.387 2.968 10 5 EFBELO O=C1C[C@@H](c2ccccc2)[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CCN1 ZINC000276320462 266963153 /nfs/dbraw/zinc/96/31/53/266963153.db2.gz OOSAWZYDOODJJL-KRWDZBQOSA-N 1 2 343.358 2.797 10 5 EFBELO O=C1C[C@@H](c2ccccc2)[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CCN1 ZINC000276320462 266963157 /nfs/dbraw/zinc/96/31/57/266963157.db2.gz OOSAWZYDOODJJL-KRWDZBQOSA-N 1 2 343.358 2.797 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1-c1nc([C@H]2C[N@@H+]3CCCC[C@H]3CO2)no1 ZINC000278023063 267323487 /nfs/dbraw/zinc/32/34/87/267323487.db2.gz JWNSWPYXYFWLEI-DZGCQCFKSA-N 1 2 344.371 2.879 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1-c1nc([C@H]2C[N@H+]3CCCC[C@H]3CO2)no1 ZINC000278023063 267323489 /nfs/dbraw/zinc/32/34/89/267323489.db2.gz JWNSWPYXYFWLEI-DZGCQCFKSA-N 1 2 344.371 2.879 10 5 EFBELO O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282224375 273531723 /nfs/dbraw/zinc/53/17/23/273531723.db2.gz HLOXIHSOOORZRQ-GFCCVEGCSA-N 1 2 344.371 2.740 10 5 EFBELO C[C@H]1CCN(c2ncnc3sc([N+](=O)[O-])cc32)C[C@@H]1n1cc[nH+]c1 ZINC000287720932 274476720 /nfs/dbraw/zinc/47/67/20/274476720.db2.gz FIJQLXBFAUAHJK-JQWIXIFHSA-N 1 2 344.400 2.884 10 5 EFBELO O=[N+]([O-])c1ccc(N2CC[C@@H](CNc3cccc[nH+]3)C2)c([N+](=O)[O-])c1 ZINC000195513645 275036652 /nfs/dbraw/zinc/03/66/52/275036652.db2.gz RDUJWEHQJDNXLQ-LBPRGKRZSA-N 1 2 343.343 2.836 10 5 EFBELO CC[C@H]1CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C[C@@]2(CCOC2)O1 ZINC000413276040 281182047 /nfs/dbraw/zinc/18/20/47/281182047.db2.gz YEEGBLVXXIPCDX-MAUKXSAKSA-N 1 2 343.383 2.917 10 5 EFBELO C[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C[C@H]1CCCCO1 ZINC000126016723 293024266 /nfs/dbraw/zinc/02/42/66/293024266.db2.gz FMSZKEBEXTUKEO-CQSZACIVSA-N 1 2 332.360 2.646 10 5 EFBELO C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C[C@H]1CCCCO1 ZINC000126016723 293024270 /nfs/dbraw/zinc/02/42/70/293024270.db2.gz FMSZKEBEXTUKEO-CQSZACIVSA-N 1 2 332.360 2.646 10 5 EFBELO Cc1csc(NC(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1 ZINC000130115289 293155056 /nfs/dbraw/zinc/15/50/56/293155056.db2.gz LKEZDRGHRYKSOT-UHFFFAOYSA-N 1 2 346.412 2.963 10 5 EFBELO Cc1csc(NC(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1 ZINC000130115289 293155059 /nfs/dbraw/zinc/15/50/59/293155059.db2.gz LKEZDRGHRYKSOT-UHFFFAOYSA-N 1 2 346.412 2.963 10 5 EFBELO C[C@@H]1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)C[C@@H]1n1cc[nH+]c1 ZINC000152853862 293350532 /nfs/dbraw/zinc/35/05/32/293350532.db2.gz DRRFBVNSOLDNJP-CJNGLKHVSA-N 1 2 343.387 2.584 10 5 EFBELO O=C1[C@H]([N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CCN1c1ccccc1 ZINC000153179381 293364453 /nfs/dbraw/zinc/36/44/53/293364453.db2.gz ROWSLWYAVDGGAT-GOSISDBHSA-N 1 2 337.379 2.758 10 5 EFBELO O=C1[C@H]([N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CCN1c1ccccc1 ZINC000153179381 293364454 /nfs/dbraw/zinc/36/44/54/293364454.db2.gz ROWSLWYAVDGGAT-GOSISDBHSA-N 1 2 337.379 2.758 10 5 EFBELO C[C@H](C(=O)Nc1ccccc1)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153233254 293366965 /nfs/dbraw/zinc/36/69/65/293366965.db2.gz DWVGSXXSGWPIPV-CYBMUJFWSA-N 1 2 325.368 2.980 10 5 EFBELO C[C@H](C(=O)Nc1ccccc1)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153233254 293366966 /nfs/dbraw/zinc/36/69/66/293366966.db2.gz DWVGSXXSGWPIPV-CYBMUJFWSA-N 1 2 325.368 2.980 10 5 EFBELO C[C@H](C(=O)N1CCCCCC1)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153351436 293372152 /nfs/dbraw/zinc/37/21/52/293372152.db2.gz GGZTYKVKYKPDDI-CQSZACIVSA-N 1 2 331.416 2.744 10 5 EFBELO C[C@H](C(=O)N1CCCCCC1)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153351436 293372154 /nfs/dbraw/zinc/37/21/54/293372154.db2.gz GGZTYKVKYKPDDI-CQSZACIVSA-N 1 2 331.416 2.744 10 5 EFBELO Cc1cccc(CNC(=O)C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000153388251 293373383 /nfs/dbraw/zinc/37/33/83/293373383.db2.gz YKJCNNGYJAKJKY-UHFFFAOYSA-N 1 2 339.395 2.578 10 5 EFBELO Cc1cccc(CNC(=O)C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000153388251 293373387 /nfs/dbraw/zinc/37/33/87/293373387.db2.gz YKJCNNGYJAKJKY-UHFFFAOYSA-N 1 2 339.395 2.578 10 5 EFBELO COC(=O)[C@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000290134608 294007704 /nfs/dbraw/zinc/00/77/04/294007704.db2.gz ZWDRSQKMSYJCMS-QMMMGPOBSA-N 1 2 333.171 2.897 10 5 EFBELO COC(=O)[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000290134608 294007706 /nfs/dbraw/zinc/00/77/06/294007706.db2.gz ZWDRSQKMSYJCMS-QMMMGPOBSA-N 1 2 333.171 2.897 10 5 EFBELO COc1cc[nH+]cc1CNC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000293147111 294891596 /nfs/dbraw/zinc/89/15/96/294891596.db2.gz WPRCXBMRPFQQJZ-LLVKDONJSA-N 1 2 330.344 2.559 10 5 EFBELO CC[C@H](NC(=O)NCc1c[nH+]ccc1OC)c1cccc([N+](=O)[O-])c1 ZINC000294158938 295120566 /nfs/dbraw/zinc/12/05/66/295120566.db2.gz IATNZYJPZRYELH-HNNXBMFYSA-N 1 2 344.371 2.949 10 5 EFBELO CS[C@@H](CO)[C@H](C)Nc1cc(C)[nH+]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301359030 311133330 /nfs/dbraw/zinc/13/33/30/311133330.db2.gz LMPBAWRYFQIEAR-FZMZJTMJSA-N 1 2 348.428 2.885 10 5 EFBELO CS[C@H](CO)[C@H](C)Nc1cc(C)[nH+]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301359034 311133351 /nfs/dbraw/zinc/13/33/51/311133351.db2.gz LMPBAWRYFQIEAR-SMDDNHRTSA-N 1 2 348.428 2.885 10 5 EFBELO O=[N+]([O-])c1ccccc1N1C[C@@H]2OCC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC000301634276 311148868 /nfs/dbraw/zinc/14/88/68/311148868.db2.gz KHOPNZAVDNJWTM-OALUTQOASA-N 1 2 339.395 2.684 10 5 EFBELO O=[N+]([O-])c1ccccc1N1C[C@@H]2OCC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC000301634276 311148870 /nfs/dbraw/zinc/14/88/70/311148870.db2.gz KHOPNZAVDNJWTM-OALUTQOASA-N 1 2 339.395 2.684 10 5 EFBELO Cc1cc(N[C@](C)(CO)C2CC2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000301689610 311152496 /nfs/dbraw/zinc/15/24/96/311152496.db2.gz WXDUPZXWPCSLGH-QGZVFWFLSA-N 1 2 328.372 2.933 10 5 EFBELO Cc1cc(NCC[C@@H](C)[S@](C)=O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301690488 311152599 /nfs/dbraw/zinc/15/25/99/311152599.db2.gz KAQLXXASNJFJKR-YYUOZPCZSA-N 1 2 348.428 2.929 10 5 EFBELO COc1cc(F)c([N+](=O)[O-])c(N[C@@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000301756968 311156867 /nfs/dbraw/zinc/15/68/67/311156867.db2.gz AJBWEMQRRVQVTA-LLVKDONJSA-N 1 2 332.335 2.828 10 5 EFBELO CNC(=O)[C@H](Nc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1)C(C)C ZINC000301765590 311157383 /nfs/dbraw/zinc/15/73/83/311157383.db2.gz HIMINPGFIDMQLH-OAHLLOKOSA-N 1 2 343.387 2.543 10 5 EFBELO Cc1cc(N(C)Cc2[nH+]ccn2C)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301909110 311166096 /nfs/dbraw/zinc/16/60/96/311166096.db2.gz FJMYWQCLXYPINH-UHFFFAOYSA-N 1 2 338.371 2.730 10 5 EFBELO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000334011538 311687573 /nfs/dbraw/zinc/68/75/73/311687573.db2.gz LBEPBZMOYGRQJC-STQMWFEESA-N 1 2 349.431 2.787 10 5 EFBELO O=C(Nc1ccn2cc[nH+]c2c1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000515923987 315645060 /nfs/dbraw/zinc/64/50/60/315645060.db2.gz BDPVKJRXEHYLGR-UHFFFAOYSA-N 1 2 337.339 2.833 10 5 EFBELO O=C(c1ccc([N+](=O)[O-])cn1)N(Cc1[nH]cc[nH+]1)c1cccc(F)c1 ZINC000531885892 317328208 /nfs/dbraw/zinc/32/82/08/317328208.db2.gz PYIKDZPMKYHDLN-UHFFFAOYSA-N 1 2 341.302 2.699 10 5 EFBELO CN(C)c1ccc2cc(NC(=O)c3ccc([N+](=O)[O-])cn3)ccc2[nH+]1 ZINC000532137137 317360374 /nfs/dbraw/zinc/36/03/74/317360374.db2.gz MMXFRJQFHBXPHT-UHFFFAOYSA-N 1 2 337.339 2.856 10 5 EFBELO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000545202830 317909576 /nfs/dbraw/zinc/90/95/76/317909576.db2.gz MIFONNJRNGBNMJ-GFCCVEGCSA-N 1 2 346.412 2.570 10 5 EFBELO C[C@H]1CCCC[C@@H]1N(C)C(=O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000550568322 318194978 /nfs/dbraw/zinc/19/49/78/318194978.db2.gz GCERHLKTVQRNJL-YOEHRIQHSA-N 1 2 345.443 2.990 10 5 EFBELO C[C@H]1CCCC[C@@H]1N(C)C(=O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000550568322 318194980 /nfs/dbraw/zinc/19/49/80/318194980.db2.gz GCERHLKTVQRNJL-YOEHRIQHSA-N 1 2 345.443 2.990 10 5 EFBELO Cc1csc([C@H](C)[NH2+][C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)n1 ZINC000184242348 323360680 /nfs/dbraw/zinc/36/06/80/323360680.db2.gz JAROYSFIWRDGKC-FZMZJTMJSA-N 1 2 346.412 2.816 10 5 EFBELO C[C@@H](C(=O)N(C)c1ccc[nH+]c1N(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000184646787 323370410 /nfs/dbraw/zinc/37/04/10/323370410.db2.gz BAEORWKQVYXVDU-LLVKDONJSA-N 1 2 346.362 2.961 10 5 EFBELO COc1nccnc1C[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000296681027 323577274 /nfs/dbraw/zinc/57/72/74/323577274.db2.gz GVFOZOCGNUVKSB-UHFFFAOYSA-N 1 2 342.277 2.702 10 5 EFBELO Cc1c(C[N@H+](C)Cc2cc([N+](=O)[O-])ccc2OC(F)F)cnn1C ZINC000579794721 324029308 /nfs/dbraw/zinc/02/93/08/324029308.db2.gz RBCWHYSSMAQKHR-UHFFFAOYSA-N 1 2 340.330 2.870 10 5 EFBELO Cc1c(C[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2OC(F)F)cnn1C ZINC000579794721 324029313 /nfs/dbraw/zinc/02/93/13/324029313.db2.gz RBCWHYSSMAQKHR-UHFFFAOYSA-N 1 2 340.330 2.870 10 5 EFBELO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCCCn1cc[nH+]c1 ZINC000581467975 324384287 /nfs/dbraw/zinc/38/42/87/324384287.db2.gz LIJAQHFVOXSNTR-UHFFFAOYSA-N 1 2 336.779 2.963 10 5 EFBELO CC1(C)CC[C@@H](CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])O1 ZINC000583480148 324817019 /nfs/dbraw/zinc/81/70/19/324817019.db2.gz NXUJHDJXIFTWRG-HNNXBMFYSA-N 1 2 349.431 2.797 10 5 EFBELO Cc1cc(NCCNC(=O)c2ccc([N+](=O)[O-])s2)nc(C(C)C)[nH+]1 ZINC000600367319 468541287 /nfs/dbraw/zinc/54/12/87/468541287.db2.gz RZIYQCCLKCZYDA-UHFFFAOYSA-N 1 2 349.416 2.720 10 5 EFBELO CCCC(=O)N[C@@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000083170183 473327279 /nfs/dbraw/zinc/32/72/79/473327279.db2.gz YXDDHMWHZHMMPU-GFCCVEGCSA-N 1 2 346.387 2.617 10 5 EFBELO CCCC(=O)N[C@@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000083170183 473327287 /nfs/dbraw/zinc/32/72/87/473327287.db2.gz YXDDHMWHZHMMPU-GFCCVEGCSA-N 1 2 346.387 2.617 10 5 EFBELO CCc1nnc(C2CC[NH+](Cc3cc(F)ccc3[N+](=O)[O-])CC2)[nH]1 ZINC000190718976 473372253 /nfs/dbraw/zinc/37/22/53/473372253.db2.gz CPGDRISFIONOSU-UHFFFAOYSA-N 1 2 333.367 2.794 10 5 EFBELO CCc1n[nH]c(C2CC[NH+](Cc3cc(F)ccc3[N+](=O)[O-])CC2)n1 ZINC000190718976 473372259 /nfs/dbraw/zinc/37/22/59/473372259.db2.gz CPGDRISFIONOSU-UHFFFAOYSA-N 1 2 333.367 2.794 10 5 EFBELO CCc1nc(C2CC[NH+](Cc3cc(F)ccc3[N+](=O)[O-])CC2)n[nH]1 ZINC000190718976 473372262 /nfs/dbraw/zinc/37/22/62/473372262.db2.gz CPGDRISFIONOSU-UHFFFAOYSA-N 1 2 333.367 2.794 10 5 EFBELO C[C@H]1CC[C@@H](O)C[N@@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000399204386 476882513 /nfs/dbraw/zinc/88/25/13/476882513.db2.gz PACOIQJHDBIOAO-JOYOIKCWSA-N 1 2 329.194 2.703 10 5 EFBELO C[C@H]1CC[C@@H](O)C[N@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000399204386 476882518 /nfs/dbraw/zinc/88/25/18/476882518.db2.gz PACOIQJHDBIOAO-JOYOIKCWSA-N 1 2 329.194 2.703 10 5 EFBELO C[C@@H]1C[C@H](O)CC[N@@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000602932233 479636224 /nfs/dbraw/zinc/63/62/24/479636224.db2.gz YTQVKBUWJHBBBJ-BXKDBHETSA-N 1 2 329.194 2.703 10 5 EFBELO C[C@@H]1C[C@H](O)CC[N@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000602932233 479636229 /nfs/dbraw/zinc/63/62/29/479636229.db2.gz YTQVKBUWJHBBBJ-BXKDBHETSA-N 1 2 329.194 2.703 10 5 EFBELO COc1ccccc1C[N@H+](C)CC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000006507695 471548605 /nfs/dbraw/zinc/54/86/05/471548605.db2.gz VBDGVTXTXREYGD-UHFFFAOYSA-N 1 2 343.383 2.982 10 5 EFBELO COc1ccccc1C[N@@H+](C)CC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000006507695 471548609 /nfs/dbraw/zinc/54/86/09/471548609.db2.gz VBDGVTXTXREYGD-UHFFFAOYSA-N 1 2 343.383 2.982 10 5 EFBELO O=C(C[NH+]1CCCC1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000012487024 471777876 /nfs/dbraw/zinc/77/78/76/471777876.db2.gz NLMFKRGMBLMQPV-UHFFFAOYSA-N 1 2 332.385 2.753 10 5 EFBELO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000054187569 472065385 /nfs/dbraw/zinc/06/53/85/472065385.db2.gz WTBQWKMQGIZOHR-OAHLLOKOSA-N 1 2 326.400 2.869 10 5 EFBELO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(Cc2ccccn2)CC1 ZINC000054187569 472065389 /nfs/dbraw/zinc/06/53/89/472065389.db2.gz WTBQWKMQGIZOHR-OAHLLOKOSA-N 1 2 326.400 2.869 10 5 EFBELO CC(C)COC1CC[NH+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000054321804 472076135 /nfs/dbraw/zinc/07/61/35/472076135.db2.gz FXNJWUTUGMVYQI-UHFFFAOYSA-N 1 2 335.404 2.670 10 5 EFBELO O=[N+]([O-])c1ccc(NCc2ccnc(-n3cc[nH+]c3)c2)c([N+](=O)[O-])c1 ZINC000068320670 472168987 /nfs/dbraw/zinc/16/89/87/472168987.db2.gz IUQVLEWMUJULLU-UHFFFAOYSA-N 1 2 340.299 2.696 10 5 EFBELO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1[N+](=O)[O-] ZINC000030218536 472320226 /nfs/dbraw/zinc/32/02/26/472320226.db2.gz CWLQNWVEIBROHM-UHFFFAOYSA-N 1 2 336.351 2.770 10 5 EFBELO O=C(NC1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1)C1CCC1 ZINC000069484601 472352855 /nfs/dbraw/zinc/35/28/55/472352855.db2.gz JDRAZCHZTZNSCF-UHFFFAOYSA-N 1 2 335.379 2.615 10 5 EFBELO COc1ccc(C[N@H+](C)Cc2nnc(-c3ccco3)o2)cc1[N+](=O)[O-] ZINC000069569392 472372814 /nfs/dbraw/zinc/37/28/14/472372814.db2.gz BVWQYJUMAQXQFC-UHFFFAOYSA-N 1 2 344.327 2.878 10 5 EFBELO COc1ccc(C[N@@H+](C)Cc2nnc(-c3ccco3)o2)cc1[N+](=O)[O-] ZINC000069569392 472372820 /nfs/dbraw/zinc/37/28/20/472372820.db2.gz BVWQYJUMAQXQFC-UHFFFAOYSA-N 1 2 344.327 2.878 10 5 EFBELO CN(C)c1[nH+]cccc1CNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000032687039 472453936 /nfs/dbraw/zinc/45/39/36/472453936.db2.gz VPRGCSUUXCQZIX-UHFFFAOYSA-N 1 2 334.763 2.639 10 5 EFBELO O=[N+]([O-])c1cccc(CNc2ccc(N3CCC(CO)CC3)c[nH+]2)c1 ZINC000089780831 472506484 /nfs/dbraw/zinc/50/64/84/472506484.db2.gz ZYPWSUBJCWJSQL-UHFFFAOYSA-N 1 2 342.399 2.811 10 5 EFBELO Cc1nc(CNc2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)no1 ZINC000078263977 472684735 /nfs/dbraw/zinc/68/47/35/472684735.db2.gz GKNDEKVZSVRBMS-UHFFFAOYSA-N 1 2 326.316 2.664 10 5 EFBELO CC[C@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)c1cccc([N+](=O)[O-])c1 ZINC000133166025 472778832 /nfs/dbraw/zinc/77/88/32/472778832.db2.gz UDDRMSICQOEGGV-BBRMVZONSA-N 1 2 328.372 2.621 10 5 EFBELO Cc1ncc(C[NH+]2CCN(Cc3csc([N+](=O)[O-])c3)CC2)s1 ZINC000105814652 472782267 /nfs/dbraw/zinc/78/22/67/472782267.db2.gz OMJMNTIYWCUCEJ-UHFFFAOYSA-N 1 2 338.458 2.739 10 5 EFBELO COc1ccc(C[NH2+]Cc2cc(O)ccc2[N+](=O)[O-])c(OC)c1OC ZINC000079046024 472811546 /nfs/dbraw/zinc/81/15/46/472811546.db2.gz CVHBUDXZLODDCK-UHFFFAOYSA-N 1 2 348.355 2.616 10 5 EFBELO CC(C)c1[nH+]c2c(n1C)CCN(CCOc1ccccc1[N+](=O)[O-])C2 ZINC000106372444 472845626 /nfs/dbraw/zinc/84/56/26/472845626.db2.gz WXFNBEILGXPYHM-UHFFFAOYSA-N 1 2 344.415 2.889 10 5 EFBELO C[C@H]1CN(c2ccc(CNc3ncccc3[N+](=O)[O-])c[nH+]2)C[C@H](C)O1 ZINC000052218707 473094961 /nfs/dbraw/zinc/09/49/61/473094961.db2.gz KJRQAVJDIVQPGP-STQMWFEESA-N 1 2 343.387 2.611 10 5 EFBELO CCN(CC)C(=O)N1CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000052639101 473134691 /nfs/dbraw/zinc/13/46/91/473134691.db2.gz BWNUOTVQMUPMGN-CQSZACIVSA-N 1 2 334.420 2.735 10 5 EFBELO Cc1sc(C(=O)NCc2cn3cccc(C)c3[nH+]2)cc1[N+](=O)[O-] ZINC000110799718 473176779 /nfs/dbraw/zinc/17/67/79/473176779.db2.gz MNFKBMDKJONGOH-UHFFFAOYSA-N 1 2 330.369 2.851 10 5 EFBELO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000171601182 473419338 /nfs/dbraw/zinc/41/93/38/473419338.db2.gz CIPLGKCJCWEUSY-CYBMUJFWSA-N 1 2 344.371 2.537 10 5 EFBELO O=C(Nc1nccs1)[C@@H]1CCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000114472181 473471698 /nfs/dbraw/zinc/47/16/98/473471698.db2.gz PCEZBXYANGPRSK-ZDUSSCGKSA-N 1 2 332.385 2.654 10 5 EFBELO O=C(Nc1nccs1)[C@@H]1CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000114472181 473471701 /nfs/dbraw/zinc/47/17/01/473471701.db2.gz PCEZBXYANGPRSK-ZDUSSCGKSA-N 1 2 332.385 2.654 10 5 EFBELO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCO[C@@H](c3cccc(O)c3)C2)cc1 ZINC000127054940 473571699 /nfs/dbraw/zinc/57/16/99/473571699.db2.gz WMXKQSQUOICKFF-GOSISDBHSA-N 1 2 344.367 2.753 10 5 EFBELO O=[N+]([O-])c1ccc(OCC[N@H+]2CCO[C@@H](c3cccc(O)c3)C2)cc1 ZINC000127054940 473571706 /nfs/dbraw/zinc/57/17/06/473571706.db2.gz WMXKQSQUOICKFF-GOSISDBHSA-N 1 2 344.367 2.753 10 5 EFBELO Cc1cc(NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000153731892 473639140 /nfs/dbraw/zinc/63/91/40/473639140.db2.gz DUHQVVREOWLBEC-CQSZACIVSA-N 1 2 329.360 2.796 10 5 EFBELO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H]1c1ccco1 ZINC000116288767 473647836 /nfs/dbraw/zinc/64/78/36/473647836.db2.gz KYZNCHFTRWMXPD-AWEZNQCLSA-N 1 2 345.355 2.972 10 5 EFBELO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H]1c1ccco1 ZINC000116288767 473647841 /nfs/dbraw/zinc/64/78/41/473647841.db2.gz KYZNCHFTRWMXPD-AWEZNQCLSA-N 1 2 345.355 2.972 10 5 EFBELO Cc1ccc(C(=O)N2CCCN(c3cccc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000186390894 473666709 /nfs/dbraw/zinc/66/67/09/473666709.db2.gz YMZMCXTUAYJBHM-UHFFFAOYSA-N 1 2 340.383 2.651 10 5 EFBELO CC(C)c1ccc(C[NH+]2CCN(c3cccnn3)CC2)cc1[N+](=O)[O-] ZINC000127969923 473669138 /nfs/dbraw/zinc/66/91/38/473669138.db2.gz TVMRFZXAIMMNPI-UHFFFAOYSA-N 1 2 341.415 2.830 10 5 EFBELO CCn1nc(C)c([N+](=O)[O-])c1NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000192505070 473686346 /nfs/dbraw/zinc/68/63/46/473686346.db2.gz HTLJVXGKHSEXRG-UHFFFAOYSA-N 1 2 340.387 2.977 10 5 EFBELO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000275824588 474332191 /nfs/dbraw/zinc/33/21/91/474332191.db2.gz XNQRFKPOYAHVKD-UHFFFAOYSA-N 1 2 345.359 2.738 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC000248667607 474400941 /nfs/dbraw/zinc/40/09/41/474400941.db2.gz XDRDLFFEQYSSOF-LBPRGKRZSA-N 1 2 331.338 2.972 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC000248667607 474400945 /nfs/dbraw/zinc/40/09/45/474400945.db2.gz XDRDLFFEQYSSOF-LBPRGKRZSA-N 1 2 331.338 2.972 10 5 EFBELO CC(=O)N1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)[C@@H](C)C1 ZINC000271209736 474441828 /nfs/dbraw/zinc/44/18/28/474441828.db2.gz XZQFHTLVGXBUFH-ZDUSSCGKSA-N 1 2 343.383 2.907 10 5 EFBELO CC(=O)N1CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)[C@@H](C)C1 ZINC000271209736 474441835 /nfs/dbraw/zinc/44/18/35/474441835.db2.gz XZQFHTLVGXBUFH-ZDUSSCGKSA-N 1 2 343.383 2.907 10 5 EFBELO COC(=O)c1cc(C)nc(N2CCCC[C@H]2c2[nH]cc[nH+]2)c1[N+](=O)[O-] ZINC000283869004 474515622 /nfs/dbraw/zinc/51/56/22/474515622.db2.gz UTWJRBRWESJRNJ-LBPRGKRZSA-N 1 2 345.359 2.540 10 5 EFBELO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000184758474 474601782 /nfs/dbraw/zinc/60/17/82/474601782.db2.gz IYLSUALUKFJBAR-CYBMUJFWSA-N 1 2 344.371 2.537 10 5 EFBELO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609131031 480115597 /nfs/dbraw/zinc/11/55/97/480115597.db2.gz GVOWWXSUAZWMCM-CYBMUJFWSA-N 1 2 339.355 2.750 10 5 EFBELO Cc1nc(F)ccc1C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000278388321 474630567 /nfs/dbraw/zinc/63/05/67/474630567.db2.gz ADDZMAXOGWZMHS-UHFFFAOYSA-N 1 2 330.363 2.760 10 5 EFBELO CO[C@@H]1C[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC[C@@H]1C ZINC000251900514 474650167 /nfs/dbraw/zinc/65/01/67/474650167.db2.gz QXQIXAWRDKUURS-IINYFYTJSA-N 1 2 341.795 2.544 10 5 EFBELO CO[C@@H]1C[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC[C@@H]1C ZINC000251900514 474650170 /nfs/dbraw/zinc/65/01/70/474650170.db2.gz QXQIXAWRDKUURS-IINYFYTJSA-N 1 2 341.795 2.544 10 5 EFBELO CC(C)[C@@H](O)C[N@@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000292821226 474660161 /nfs/dbraw/zinc/66/01/61/474660161.db2.gz CYULKSJRTHDRBY-AWEZNQCLSA-N 1 2 343.221 2.732 10 5 EFBELO CC(C)[C@@H](O)C[N@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000292821226 474660168 /nfs/dbraw/zinc/66/01/68/474660168.db2.gz CYULKSJRTHDRBY-AWEZNQCLSA-N 1 2 343.221 2.732 10 5 EFBELO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCN(c2c[nH+]ccc2C)CC1 ZINC000340872854 474738088 /nfs/dbraw/zinc/73/80/88/474738088.db2.gz PQHMTMSFFFUXHK-UHFFFAOYSA-N 1 2 340.383 2.827 10 5 EFBELO COc1cc(C[N@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])cc(OC)c1 ZINC000338924135 474739004 /nfs/dbraw/zinc/73/90/04/474739004.db2.gz GQBKEHKLUKXELZ-UHFFFAOYSA-N 1 2 332.356 2.950 10 5 EFBELO COc1cc(C[N@@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])cc(OC)c1 ZINC000338924135 474739005 /nfs/dbraw/zinc/73/90/05/474739005.db2.gz GQBKEHKLUKXELZ-UHFFFAOYSA-N 1 2 332.356 2.950 10 5 EFBELO C[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])c1nnnn1-c1ccccc1 ZINC000340918210 474777383 /nfs/dbraw/zinc/77/73/83/474777383.db2.gz LVAIMSFASBRTEH-CHWSQXEVSA-N 1 2 338.371 2.982 10 5 EFBELO Cc1cc[nH+]cc1N1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000337219541 474794315 /nfs/dbraw/zinc/79/43/15/474794315.db2.gz KUWIPOYPZJSXON-UHFFFAOYSA-N 1 2 341.371 2.652 10 5 EFBELO C[C@@H]([NH2+]Cc1c(Br)cnn1C)c1ccccc1[N+](=O)[O-] ZINC000278796380 474841130 /nfs/dbraw/zinc/84/11/30/474841130.db2.gz RCYKSPVIIBVHSO-SECBINFHSA-N 1 2 339.193 2.942 10 5 EFBELO Cc1cc(C)c(S(=O)(=O)Nc2ccc3[nH+]ccn3c2)cc1[N+](=O)[O-] ZINC000617229619 480133970 /nfs/dbraw/zinc/13/39/70/480133970.db2.gz JMKCYEBEMLABEM-UHFFFAOYSA-N 1 2 346.368 2.660 10 5 EFBELO Cc1nc(N2CCN(Cc3cc(Cl)ccc3[N+](=O)[O-])CC2)cc[nH+]1 ZINC000273602523 474984805 /nfs/dbraw/zinc/98/48/05/474984805.db2.gz LNXCEJXQPLWYMY-UHFFFAOYSA-N 1 2 347.806 2.669 10 5 EFBELO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000339188557 475019523 /nfs/dbraw/zinc/01/95/23/475019523.db2.gz HKSBSSVNILNNHW-LLVKDONJSA-N 1 2 330.344 2.550 10 5 EFBELO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000339188557 475019528 /nfs/dbraw/zinc/01/95/28/475019528.db2.gz HKSBSSVNILNNHW-LLVKDONJSA-N 1 2 330.344 2.550 10 5 EFBELO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000339193211 475025011 /nfs/dbraw/zinc/02/50/11/475025011.db2.gz BMUPZCDRWKIATJ-CYBMUJFWSA-N 1 2 334.294 2.580 10 5 EFBELO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000339193211 475025015 /nfs/dbraw/zinc/02/50/15/475025015.db2.gz BMUPZCDRWKIATJ-CYBMUJFWSA-N 1 2 334.294 2.580 10 5 EFBELO Cc1cn2cc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3N)ccc2[nH+]1 ZINC000339267512 475101771 /nfs/dbraw/zinc/10/17/71/475101771.db2.gz APWGNMKADZZWFI-UHFFFAOYSA-N 1 2 329.291 2.525 10 5 EFBELO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000296541000 475362266 /nfs/dbraw/zinc/36/22/66/475362266.db2.gz XSLBLLDJHUHBQW-ZDUSSCGKSA-N 1 2 335.404 2.541 10 5 EFBELO Cc1csc([C@@H](C)[NH2+]CC(=O)Nc2c(C)cccc2[N+](=O)[O-])n1 ZINC000348097986 475386627 /nfs/dbraw/zinc/38/66/27/475386627.db2.gz XPBTXSMONLURQR-LLVKDONJSA-N 1 2 334.401 2.957 10 5 EFBELO Cc1ccncc1C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000361444587 475456347 /nfs/dbraw/zinc/45/63/47/475456347.db2.gz RNYHUMWQQXNQFS-ZDUSSCGKSA-N 1 2 328.372 2.757 10 5 EFBELO Cc1ccncc1C[N@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000361444587 475456356 /nfs/dbraw/zinc/45/63/56/475456356.db2.gz RNYHUMWQQXNQFS-ZDUSSCGKSA-N 1 2 328.372 2.757 10 5 EFBELO O=[N+]([O-])c1cc(C[N@@H+]2CCOC[C@@H]2CC2CCC2)c2c(c1)COCO2 ZINC000339779080 475494425 /nfs/dbraw/zinc/49/44/25/475494425.db2.gz URFLTUPQTCFAAG-KRWDZBQOSA-N 1 2 348.399 2.852 10 5 EFBELO O=[N+]([O-])c1cc(C[N@H+]2CCOC[C@@H]2CC2CCC2)c2c(c1)COCO2 ZINC000339779080 475494428 /nfs/dbraw/zinc/49/44/28/475494428.db2.gz URFLTUPQTCFAAG-KRWDZBQOSA-N 1 2 348.399 2.852 10 5 EFBELO C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000348228313 475504261 /nfs/dbraw/zinc/50/42/61/475504261.db2.gz KKDOVFOHOHTXEG-UWVGGRQHSA-N 1 2 331.294 2.806 10 5 EFBELO C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000348228313 475504263 /nfs/dbraw/zinc/50/42/63/475504263.db2.gz KKDOVFOHOHTXEG-UWVGGRQHSA-N 1 2 331.294 2.806 10 5 EFBELO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000348237213 475513419 /nfs/dbraw/zinc/51/34/19/475513419.db2.gz YKXYGMVLBONGIV-ZWNOBZJWSA-N 1 2 345.321 2.830 10 5 EFBELO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000348237213 475513424 /nfs/dbraw/zinc/51/34/24/475513424.db2.gz YKXYGMVLBONGIV-ZWNOBZJWSA-N 1 2 345.321 2.830 10 5 EFBELO CC[C@H](NC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)c1cccc([N+](=O)[O-])c1 ZINC000358276662 475554208 /nfs/dbraw/zinc/55/42/08/475554208.db2.gz JOPRSZFSTLXCGJ-OCCSQVGLSA-N 1 2 343.387 2.626 10 5 EFBELO CC[C@H](NC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)c1cccc([N+](=O)[O-])c1 ZINC000358276662 475554215 /nfs/dbraw/zinc/55/42/15/475554215.db2.gz JOPRSZFSTLXCGJ-OCCSQVGLSA-N 1 2 343.387 2.626 10 5 EFBELO Cc1[nH]c2ccc(Cn3cnc4ccc([N+](=O)[O-])cc4c3=O)cc2[nH+]1 ZINC000358858472 475992925 /nfs/dbraw/zinc/99/29/25/475992925.db2.gz GKYWXVPYXYLXLE-UHFFFAOYSA-N 1 2 335.323 2.538 10 5 EFBELO Cc1[nH]c2cc(Cn3cnc4ccc([N+](=O)[O-])cc4c3=O)ccc2[nH+]1 ZINC000358858472 475992931 /nfs/dbraw/zinc/99/29/31/475992931.db2.gz GKYWXVPYXYLXLE-UHFFFAOYSA-N 1 2 335.323 2.538 10 5 EFBELO Cc1c(CNC(=O)NCc2[nH+]ccn2CC(C)C)cccc1[N+](=O)[O-] ZINC000358918465 476038623 /nfs/dbraw/zinc/03/86/23/476038623.db2.gz WIESIFSJAOAARO-UHFFFAOYSA-N 1 2 345.403 2.755 10 5 EFBELO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000298323256 476056138 /nfs/dbraw/zinc/05/61/38/476056138.db2.gz QWOMODJCHIWSRX-YVLXSGLVSA-N 1 2 339.342 2.899 10 5 EFBELO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000298323256 476056145 /nfs/dbraw/zinc/05/61/45/476056145.db2.gz QWOMODJCHIWSRX-YVLXSGLVSA-N 1 2 339.342 2.899 10 5 EFBELO Cc1ccc(NC(=O)c2cccc(O)c2[N+](=O)[O-])c(C[NH+](C)C)c1 ZINC000343464069 476075695 /nfs/dbraw/zinc/07/56/95/476075695.db2.gz WGPNEHWVNMEPGB-UHFFFAOYSA-N 1 2 329.356 2.923 10 5 EFBELO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000334051357 476100013 /nfs/dbraw/zinc/10/00/13/476100013.db2.gz NQDUGJFVSLHLPQ-STQMWFEESA-N 1 2 349.431 2.787 10 5 EFBELO C[N@H+](CCCNC(=O)c1cc(O)ccc1[N+](=O)[O-])Cc1ccccc1 ZINC000336784006 476130181 /nfs/dbraw/zinc/13/01/81/476130181.db2.gz SMSNRHXBLNZYGM-UHFFFAOYSA-N 1 2 343.383 2.552 10 5 EFBELO C[N@@H+](CCCNC(=O)c1cc(O)ccc1[N+](=O)[O-])Cc1ccccc1 ZINC000336784006 476130191 /nfs/dbraw/zinc/13/01/91/476130191.db2.gz SMSNRHXBLNZYGM-UHFFFAOYSA-N 1 2 343.383 2.552 10 5 EFBELO O=[N+]([O-])c1cnccc1N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000347267783 476217272 /nfs/dbraw/zinc/21/72/72/476217272.db2.gz DWGWJWCEAQPXGX-GFCCVEGCSA-N 1 2 348.353 2.766 10 5 EFBELO O=[N+]([O-])c1cnccc1N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000347267783 476217278 /nfs/dbraw/zinc/21/72/78/476217278.db2.gz DWGWJWCEAQPXGX-GFCCVEGCSA-N 1 2 348.353 2.766 10 5 EFBELO CC(C)c1ccc(C[N@H+](C)C[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000353782546 476268850 /nfs/dbraw/zinc/26/88/50/476268850.db2.gz UASYFKDQOVNKCO-AWEZNQCLSA-N 1 2 340.445 2.585 10 5 EFBELO CC(C)c1ccc(C[N@@H+](C)C[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000353782546 476268853 /nfs/dbraw/zinc/26/88/53/476268853.db2.gz UASYFKDQOVNKCO-AWEZNQCLSA-N 1 2 340.445 2.585 10 5 EFBELO CC(C)c1ccc(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)cc1[N+](=O)[O-] ZINC000364813043 476544896 /nfs/dbraw/zinc/54/48/96/476544896.db2.gz YRCSSBBIKWMULV-LBPRGKRZSA-N 1 2 328.372 2.729 10 5 EFBELO CC(C)c1ccc(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)cc1[N+](=O)[O-] ZINC000364813043 476544904 /nfs/dbraw/zinc/54/49/04/476544904.db2.gz YRCSSBBIKWMULV-LBPRGKRZSA-N 1 2 328.372 2.729 10 5 EFBELO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000377745890 476557721 /nfs/dbraw/zinc/55/77/21/476557721.db2.gz OCWBOVDCKAOWSR-QMMMGPOBSA-N 1 2 335.751 2.650 10 5 EFBELO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000377745890 476557723 /nfs/dbraw/zinc/55/77/23/476557723.db2.gz OCWBOVDCKAOWSR-QMMMGPOBSA-N 1 2 335.751 2.650 10 5 EFBELO CO[C@@H](C)c1noc(C[N@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])n1 ZINC000354305082 476574304 /nfs/dbraw/zinc/57/43/04/476574304.db2.gz QEAWMJCCYOGIJL-VFFGBVLKSA-N 1 2 332.360 2.830 10 5 EFBELO CO[C@@H](C)c1noc(C[N@@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])n1 ZINC000354305082 476574308 /nfs/dbraw/zinc/57/43/08/476574308.db2.gz QEAWMJCCYOGIJL-VFFGBVLKSA-N 1 2 332.360 2.830 10 5 EFBELO O=[N+]([O-])c1cnccc1N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000361063955 476578369 /nfs/dbraw/zinc/57/83/69/476578369.db2.gz XORVASGAOVROKU-UHFFFAOYSA-N 1 2 349.394 2.992 10 5 EFBELO Cc1cn2c([nH+]1)CN(C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)CC2 ZINC000369923229 476591803 /nfs/dbraw/zinc/59/18/03/476591803.db2.gz KSILULYSOKZSEK-UHFFFAOYSA-N 1 2 335.751 2.801 10 5 EFBELO COC(=O)c1cc(NCc2ccc[nH+]c2N(C)C)cc(C)c1[N+](=O)[O-] ZINC000354382256 476624027 /nfs/dbraw/zinc/62/40/27/476624027.db2.gz FKKFADRYXVGBSF-UHFFFAOYSA-N 1 2 344.371 2.763 10 5 EFBELO O=[N+]([O-])c1ccc2c(c1NCc1cccnc1-n1cc[nH+]c1)CCN2 ZINC000377996189 476668041 /nfs/dbraw/zinc/66/80/41/476668041.db2.gz APRAUZCQRKVJPR-UHFFFAOYSA-N 1 2 336.355 2.756 10 5 EFBELO CC[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@]2(CCOC2)O1 ZINC000370112125 476671193 /nfs/dbraw/zinc/67/11/93/476671193.db2.gz MKFDUKMMIMKBLG-CXAGYDPISA-N 1 2 347.371 2.506 10 5 EFBELO CC[C@@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@]2(CCOC2)O1 ZINC000370112125 476671196 /nfs/dbraw/zinc/67/11/96/476671196.db2.gz MKFDUKMMIMKBLG-CXAGYDPISA-N 1 2 347.371 2.506 10 5 EFBELO COc1cc(NCc2ccnc(-n3cc[nH+]c3)c2)c([N+](=O)[O-])cc1F ZINC000378030308 476675136 /nfs/dbraw/zinc/67/51/36/476675136.db2.gz AYFHNXCSHFMJGE-UHFFFAOYSA-N 1 2 343.318 2.935 10 5 EFBELO O=[N+]([O-])c1cc(F)c(C[N@H+]2CC[C@@H]([C@@H](O)C(F)(F)F)C2)c(F)c1 ZINC000451882338 476697034 /nfs/dbraw/zinc/69/70/34/476697034.db2.gz CSMCGZGBBNWXLX-JMCQJSRRSA-N 1 2 340.248 2.618 10 5 EFBELO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CC[C@@H]([C@@H](O)C(F)(F)F)C2)c(F)c1 ZINC000451882338 476697043 /nfs/dbraw/zinc/69/70/43/476697043.db2.gz CSMCGZGBBNWXLX-JMCQJSRRSA-N 1 2 340.248 2.618 10 5 EFBELO C[N@@H+]1CCO[C@H](CSc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000400821603 476895498 /nfs/dbraw/zinc/89/54/98/476895498.db2.gz QFJVPHGYVADEDR-JTQLQIEISA-N 1 2 347.234 2.780 10 5 EFBELO C[N@H+]1CCO[C@H](CSc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000400821603 476895505 /nfs/dbraw/zinc/89/55/05/476895505.db2.gz QFJVPHGYVADEDR-JTQLQIEISA-N 1 2 347.234 2.780 10 5 EFBELO CCN(CC)c1ccc(CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)c[nH+]1 ZINC000447679553 477035264 /nfs/dbraw/zinc/03/52/64/477035264.db2.gz OIBGVOGLQYEJKS-UHFFFAOYSA-N 1 2 340.387 2.746 10 5 EFBELO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1cn(C)c[nH+]1 ZINC000457854471 477232964 /nfs/dbraw/zinc/23/29/64/477232964.db2.gz KNARXNMXSCALPA-UHFFFAOYSA-N 1 2 348.428 2.803 10 5 EFBELO O=[N+]([O-])c1cc2c(ncnc2N2CCC(c3c[nH]c[nH+]3)CC2)s1 ZINC000376449098 477340069 /nfs/dbraw/zinc/34/00/69/477340069.db2.gz LLSAKLQRILDNRT-UHFFFAOYSA-N 1 2 330.373 2.707 10 5 EFBELO O=[N+]([O-])c1cc2c(ncnc2N2CCC(c3c[nH+]c[nH]3)CC2)s1 ZINC000376449098 477340072 /nfs/dbraw/zinc/34/00/72/477340072.db2.gz LLSAKLQRILDNRT-UHFFFAOYSA-N 1 2 330.373 2.707 10 5 EFBELO O=[N+]([O-])c1ccc2cc[nH+]c(N3CC[C@](O)(C(F)(F)F)C3)c2c1 ZINC000413153985 477543955 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C[C@@]1(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1(F)F ZINC000598220243 478711191 /nfs/dbraw/zinc/71/11/91/478711191.db2.gz ZPZAIORVDKVBEN-AWEZNQCLSA-N 1 2 336.298 2.556 10 5 EFBELO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@H](CCF)C1 ZINC000598222249 478713705 /nfs/dbraw/zinc/71/37/05/478713705.db2.gz XYACTKJVQLZINB-CYBMUJFWSA-N 1 2 346.362 2.992 10 5 EFBELO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@H]1CCN(c2ccccc2)C1=O ZINC000595375208 478752675 /nfs/dbraw/zinc/75/26/75/478752675.db2.gz QEFIZUYRTYOYPA-INIZCTEOSA-N 1 2 343.358 2.971 10 5 EFBELO C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@H]1CCN(c2ccccc2)C1=O ZINC000595375208 478752682 /nfs/dbraw/zinc/75/26/82/478752682.db2.gz QEFIZUYRTYOYPA-INIZCTEOSA-N 1 2 343.358 2.971 10 5 EFBELO Cc1noc(CN2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)c1[N+](=O)[O-] ZINC000595399381 478762912 /nfs/dbraw/zinc/76/29/12/478762912.db2.gz ZUYSTKIMHYXZBZ-ZDUSSCGKSA-N 1 2 348.378 2.909 10 5 EFBELO Cc1sc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000598510301 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ZINC000601971022 479102555 /nfs/dbraw/zinc/10/25/55/479102555.db2.gz AACZUYVVDMYCIR-LBPRGKRZSA-N 1 2 334.294 2.599 10 5 EFBELO COc1cc(N2CCN(c3cccc[nH+]3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596054222 479110192 /nfs/dbraw/zinc/11/01/92/479110192.db2.gz ACEULRVXCDWADO-UHFFFAOYSA-N 1 2 348.790 2.978 10 5 EFBELO Cn1cnnc1[C@H]1CCCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599019551 479128267 /nfs/dbraw/zinc/12/82/67/479128267.db2.gz GTYNRGWPXHXQHG-ZDUSSCGKSA-N 1 2 338.371 2.656 10 5 EFBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCOCC23CCCC3)c1 ZINC000593020677 479128725 /nfs/dbraw/zinc/12/87/25/479128725.db2.gz OCYIBIVSIIGKFV-UHFFFAOYSA-N 1 2 334.372 2.526 10 5 EFBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCOCC23CCCC3)c1 ZINC000593020677 479128732 /nfs/dbraw/zinc/12/87/32/479128732.db2.gz OCYIBIVSIIGKFV-UHFFFAOYSA-N 1 2 334.372 2.526 10 5 EFBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)[C@@H](C)c2ccncc2)c1 ZINC000593019109 479129195 /nfs/dbraw/zinc/12/91/95/479129195.db2.gz NQHGQFOTHCAXND-LBPRGKRZSA-N 1 2 329.356 2.969 10 5 EFBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)[C@@H](C)c2ccncc2)c1 ZINC000593019109 479129200 /nfs/dbraw/zinc/12/92/00/479129200.db2.gz NQHGQFOTHCAXND-LBPRGKRZSA-N 1 2 329.356 2.969 10 5 EFBELO CCCNC(=O)C1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599022273 479129878 /nfs/dbraw/zinc/12/98/78/479129878.db2.gz JULXJTNDBLEVJB-UHFFFAOYSA-N 1 2 342.399 2.886 10 5 EFBELO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H](C)c2ncc(C)s2)c1 ZINC000593023822 479130044 /nfs/dbraw/zinc/13/00/44/479130044.db2.gz BRUVWXNWRYXTDH-SNVBAGLBSA-N 1 2 335.385 2.997 10 5 EFBELO O=C1CCCCN1CCCNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599038644 479134869 /nfs/dbraw/zinc/13/48/69/479134869.db2.gz CZKYMFQCDSHNJR-UHFFFAOYSA-N 1 2 328.372 2.958 10 5 EFBELO COC(=O)[C@@H]1CC12CCN(c1ccc3c[nH+]ccc3c1[N+](=O)[O-])CC2 ZINC000599045132 479137160 /nfs/dbraw/zinc/13/71/60/479137160.db2.gz VRFYTEKOTFBVKU-AWEZNQCLSA-N 1 2 341.367 2.923 10 5 EFBELO Nc1cc(C2CCN(c3ccc4c[nH+]ccc4c3[N+](=O)[O-])CC2)[nH]n1 ZINC000599062403 479144336 /nfs/dbraw/zinc/14/43/36/479144336.db2.gz PKJYWTXVVDDXMU-UHFFFAOYSA-N 1 2 338.371 2.663 10 5 EFBELO O=[N+]([O-])c1c(N[C@@H]2CCO[C@]3(CCOC3)C2)ccc2c[nH+]ccc21 ZINC000599063114 479144394 /nfs/dbraw/zinc/14/43/94/479144394.db2.gz WRSADEKBVDMNQW-CXAGYDPISA-N 1 2 329.356 2.893 10 5 EFBELO O=C1C[C@@H](CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CN1C1CC1 ZINC000599065970 479145648 /nfs/dbraw/zinc/14/56/48/479145648.db2.gz LWBAWXQWWBLYPB-NSHDSACASA-N 1 2 326.356 2.566 10 5 EFBELO CN(Cc1ncnn1CC(F)F)c1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599073207 479151030 /nfs/dbraw/zinc/15/10/30/479151030.db2.gz MUQDUTBBVKEJPJ-UHFFFAOYSA-N 1 2 348.313 2.636 10 5 EFBELO C[C@H]1OCC[C@]12CN(c1ccc3c[nH+]ccc3c1[N+](=O)[O-])CCO2 ZINC000599077660 479152069 /nfs/dbraw/zinc/15/20/69/479152069.db2.gz HAGORQDQVZZJLI-PXAZEXFGSA-N 1 2 329.356 2.527 10 5 EFBELO C[C@@H]1CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC2(CCOCC2)O1 ZINC000599076514 479152133 /nfs/dbraw/zinc/15/21/33/479152133.db2.gz CBZOWZXYYYTDLJ-CYBMUJFWSA-N 1 2 343.383 2.917 10 5 EFBELO CCNC(=O)C1(CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CCC1 ZINC000599078057 479152533 /nfs/dbraw/zinc/15/25/33/479152533.db2.gz FVJJLMZYWFXUJT-UHFFFAOYSA-N 1 2 328.372 2.861 10 5 EFBELO Cn1ccnc1[C@H]([NH2+][C@@H]1CO[C@@H](C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000599084655 479155127 /nfs/dbraw/zinc/15/51/27/479155127.db2.gz DQSPVPUNIYWTTQ-USXIJHARSA-N 1 2 342.399 2.575 10 5 EFBELO Cn1ccnc1[C@H]([NH2+][C@@H]1CO[C@H](C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000599084652 479155564 /nfs/dbraw/zinc/15/55/64/479155564.db2.gz DQSPVPUNIYWTTQ-BHYGNILZSA-N 1 2 342.399 2.575 10 5 EFBELO COC(=O)[C@]1(C)CCCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599093506 479159815 /nfs/dbraw/zinc/15/98/15/479159815.db2.gz VGOSHTHNKGOMQK-QGZVFWFLSA-N 1 2 329.356 2.923 10 5 EFBELO CCOc1cc(C[N@@H+]2CCO[C@]3(CCSC3)C2)ccc1[N+](=O)[O-] ZINC000569807143 479182630 /nfs/dbraw/zinc/18/26/30/479182630.db2.gz AKZZLTXUWBZFIS-MRXNPFEDSA-N 1 2 338.429 2.701 10 5 EFBELO CCOc1cc(C[N@H+]2CCO[C@]3(CCSC3)C2)ccc1[N+](=O)[O-] ZINC000569807143 479182635 /nfs/dbraw/zinc/18/26/35/479182635.db2.gz AKZZLTXUWBZFIS-MRXNPFEDSA-N 1 2 338.429 2.701 10 5 EFBELO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000602125855 479190982 /nfs/dbraw/zinc/19/09/82/479190982.db2.gz SBJAPVBSZPSZKB-HUUCEWRRSA-N 1 2 326.356 2.613 10 5 EFBELO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000602125855 479190990 /nfs/dbraw/zinc/19/09/90/479190990.db2.gz SBJAPVBSZPSZKB-HUUCEWRRSA-N 1 2 326.356 2.613 10 5 EFBELO Cc1cc[nH+]cc1N1CCN(c2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000596221475 479208702 /nfs/dbraw/zinc/20/87/02/479208702.db2.gz XLBMCLGBWWISLA-UHFFFAOYSA-N 1 2 333.779 2.673 10 5 EFBELO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000602160258 479209176 /nfs/dbraw/zinc/20/91/76/479209176.db2.gz MIMXWERREBCVFK-NUEKZKHPSA-N 1 2 340.383 2.828 10 5 EFBELO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000602160258 479209181 /nfs/dbraw/zinc/20/91/81/479209181.db2.gz MIMXWERREBCVFK-NUEKZKHPSA-N 1 2 340.383 2.828 10 5 EFBELO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@H](OC(F)F)C2)cccc1[N+](=O)[O-] ZINC000556971923 479244540 /nfs/dbraw/zinc/24/45/40/479244540.db2.gz PZHFLCICYZENSP-QWRGUYRKSA-N 1 2 343.330 2.544 10 5 EFBELO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@H](OC(F)F)C2)cccc1[N+](=O)[O-] ZINC000556971923 479244546 /nfs/dbraw/zinc/24/45/46/479244546.db2.gz PZHFLCICYZENSP-QWRGUYRKSA-N 1 2 343.330 2.544 10 5 EFBELO COc1cc(NCC[N@@H+]2C[C@H](C)OC[C@H]2C)c(Cl)cc1[N+](=O)[O-] ZINC000596428762 479291836 /nfs/dbraw/zinc/29/18/36/479291836.db2.gz HSLDHONWAREAJK-MNOVXSKESA-N 1 2 343.811 2.778 10 5 EFBELO COc1cc(NCC[N@H+]2C[C@H](C)OC[C@H]2C)c(Cl)cc1[N+](=O)[O-] ZINC000596428762 479291841 /nfs/dbraw/zinc/29/18/41/479291841.db2.gz HSLDHONWAREAJK-MNOVXSKESA-N 1 2 343.811 2.778 10 5 EFBELO COc1cc(NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)c(Cl)cc1[N+](=O)[O-] ZINC000596428761 479291940 /nfs/dbraw/zinc/29/19/40/479291940.db2.gz HSLDHONWAREAJK-GHMZBOCLSA-N 1 2 343.811 2.778 10 5 EFBELO COc1cc(NCC[N@H+]2C[C@@H](C)OC[C@H]2C)c(Cl)cc1[N+](=O)[O-] ZINC000596428761 479291946 /nfs/dbraw/zinc/29/19/46/479291946.db2.gz HSLDHONWAREAJK-GHMZBOCLSA-N 1 2 343.811 2.778 10 5 EFBELO Cc1c(NC(=O)CC[N@@H+]2Cc3cccnc3C2)cccc1[N+](=O)[O-] ZINC000585716526 479315875 /nfs/dbraw/zinc/31/58/75/479315875.db2.gz FSTSTLWGTDVYFX-UHFFFAOYSA-N 1 2 326.356 2.643 10 5 EFBELO Cc1c(NC(=O)CC[N@H+]2Cc3cccnc3C2)cccc1[N+](=O)[O-] ZINC000585716526 479315880 /nfs/dbraw/zinc/31/58/80/479315880.db2.gz FSTSTLWGTDVYFX-UHFFFAOYSA-N 1 2 326.356 2.643 10 5 EFBELO COC(=O)c1c(Cl)c(N[C@@H](C)c2[nH+]ccn2C)ccc1[N+](=O)[O-] ZINC000596542219 479334560 /nfs/dbraw/zinc/33/45/60/479334560.db2.gz LIZZIUXQAJOGTA-QMMMGPOBSA-N 1 2 338.751 2.941 10 5 EFBELO CC(=O)c1ccc(N[C@@H]2C[C@@H]([NH+]3CCOCC3)C2(C)C)c([N+](=O)[O-])c1 ZINC000603401163 479371702 /nfs/dbraw/zinc/37/17/02/479371702.db2.gz ZZXJQGKVUABCLI-IAGOWNOFSA-N 1 2 347.415 2.709 10 5 EFBELO COc1ccc(N[C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)[nH+]c1 ZINC000611475595 479388831 /nfs/dbraw/zinc/38/88/31/479388831.db2.gz DWRJWVSWRADDKX-NSHDSACASA-N 1 2 330.344 2.828 10 5 EFBELO C[C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@H]1F ZINC000611506719 479399928 /nfs/dbraw/zinc/39/99/28/479399928.db2.gz QJLVTMCICGJUAT-WCQYABFASA-N 1 2 332.335 2.601 10 5 EFBELO Nc1cc(NCCCc2[nH]c3ccccc3[nH+]2)cc(CO)c1[N+](=O)[O-] ZINC000611525513 479405648 /nfs/dbraw/zinc/40/56/48/479405648.db2.gz IJADINGDDBEQTA-UHFFFAOYSA-N 1 2 341.371 2.590 10 5 EFBELO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000611578455 479423633 /nfs/dbraw/zinc/42/36/33/479423633.db2.gz FBEDIDFRQHHOKV-NSHDSACASA-N 1 2 343.330 2.545 10 5 EFBELO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000611578455 479423635 /nfs/dbraw/zinc/42/36/35/479423635.db2.gz FBEDIDFRQHHOKV-NSHDSACASA-N 1 2 343.330 2.545 10 5 EFBELO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCC[C@H](OC(F)F)C1)OCCO2 ZINC000611608117 479428325 /nfs/dbraw/zinc/42/83/25/479428325.db2.gz IEPWDLUISJWFEY-NSHDSACASA-N 1 2 344.314 2.570 10 5 EFBELO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCC[C@H](OC(F)F)C1)OCCO2 ZINC000611608117 479428330 /nfs/dbraw/zinc/42/83/30/479428330.db2.gz IEPWDLUISJWFEY-NSHDSACASA-N 1 2 344.314 2.570 10 5 EFBELO C[C@H](NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)c1[nH+]ccn1C ZINC000596931418 479492325 /nfs/dbraw/zinc/49/23/25/479492325.db2.gz MFVUGIVXIHXIML-NSHDSACASA-N 1 2 331.376 2.624 10 5 EFBELO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000589518776 479537142 /nfs/dbraw/zinc/53/71/42/479537142.db2.gz DVYMSHLRAODWAP-MRXNPFEDSA-N 1 2 339.395 2.937 10 5 EFBELO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000589518776 479537147 /nfs/dbraw/zinc/53/71/47/479537147.db2.gz DVYMSHLRAODWAP-MRXNPFEDSA-N 1 2 339.395 2.937 10 5 EFBELO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CC[C@@H](C(F)F)C1 ZINC000589600169 479544139 /nfs/dbraw/zinc/54/41/39/479544139.db2.gz SGNBOJNBYZMPQA-CYBMUJFWSA-N 1 2 341.358 2.518 10 5 EFBELO CC[C@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)c1cccc([N+](=O)[O-])c1 ZINC000590443977 479648071 /nfs/dbraw/zinc/64/80/71/479648071.db2.gz WKMCIMDAABDBRB-BBRMVZONSA-N 1 2 328.372 2.621 10 5 EFBELO CCN(CC)c1ccc(Nc2nccc(C(=O)OC)c2[N+](=O)[O-])c[nH+]1 ZINC000590572509 479662243 /nfs/dbraw/zinc/66/22/43/479662243.db2.gz NNYXFXBGRKLDGA-UHFFFAOYSA-N 1 2 345.359 2.761 10 5 EFBELO C[C@H](C(=O)N1CCC[C@H](n2cc[nH+]c2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000612538924 479688512 /nfs/dbraw/zinc/68/85/12/479688512.db2.gz BEPACDPAIGHSQL-JSGCOSHPSA-N 1 2 346.362 2.898 10 5 EFBELO Cc1ccnc(NC(=O)C[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2C)c1 ZINC000612578222 479699045 /nfs/dbraw/zinc/69/90/45/479699045.db2.gz MHOPGWXEPRCQTD-UHFFFAOYSA-N 1 2 328.372 2.677 10 5 EFBELO Cc1ccnc(NC(=O)C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2C)c1 ZINC000612578222 479699049 /nfs/dbraw/zinc/69/90/49/479699049.db2.gz MHOPGWXEPRCQTD-UHFFFAOYSA-N 1 2 328.372 2.677 10 5 EFBELO C[C@@H]1CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C[C@@H]1F ZINC000619154641 479701100 /nfs/dbraw/zinc/70/11/00/479701100.db2.gz BCYDROGXLLSOMP-HIFRSBDPSA-N 1 2 337.395 2.611 10 5 EFBELO Cc1cc[nH+]cc1N1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000619589535 479836132 /nfs/dbraw/zinc/83/61/32/479836132.db2.gz UWWZCQZKBBKSPC-UHFFFAOYSA-N 1 2 333.779 2.673 10 5 EFBELO CCOC(=O)c1cc(N2CCC[C@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000610715371 480371585 /nfs/dbraw/zinc/37/15/85/480371585.db2.gz BDNPHMYSSRXANW-AWEZNQCLSA-N 1 2 344.371 2.810 10 5 EFBELO COc1cc(C[N@@H+]2CCC[C@@H]2c2cnn(C)c2)c([N+](=O)[O-])cc1F ZINC000184199580 533804806 /nfs/dbraw/zinc/80/48/06/533804806.db2.gz GMPBAFRFEGKWSS-CQSZACIVSA-N 1 2 334.351 2.813 10 5 EFBELO COc1cc(C[N@H+]2CCC[C@@H]2c2cnn(C)c2)c([N+](=O)[O-])cc1F ZINC000184199580 533804812 /nfs/dbraw/zinc/80/48/12/533804812.db2.gz GMPBAFRFEGKWSS-CQSZACIVSA-N 1 2 334.351 2.813 10 5 EFBELO CC(C)(C)C1=CC[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000356349642 534540545 /nfs/dbraw/zinc/54/05/45/534540545.db2.gz FDCWVFUUJXSQQB-UHFFFAOYSA-N 1 2 347.415 2.708 10 5 EFBELO CC(C)(C)C1=CC[N@@H+](CCNC(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000356349642 534540551 /nfs/dbraw/zinc/54/05/51/534540551.db2.gz FDCWVFUUJXSQQB-UHFFFAOYSA-N 1 2 347.415 2.708 10 5 EFBELO Cc1cccc2[nH+]c(CNC(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)cn21 ZINC000068568829 524985005 /nfs/dbraw/zinc/98/50/05/524985005.db2.gz REAXWQIBMYGFMA-UHFFFAOYSA-N 1 2 349.350 2.962 10 5 EFBELO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000177640877 526072319 /nfs/dbraw/zinc/07/23/19/526072319.db2.gz JVJIHGBWAZZPSC-LBPRGKRZSA-N 1 2 347.346 2.846 10 5 EFBELO CCCC(=O)N[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OCC)C1 ZINC000175155070 527954484 /nfs/dbraw/zinc/95/44/84/527954484.db2.gz AVJUBGBOENBWRX-HNNXBMFYSA-N 1 2 349.431 2.874 10 5 EFBELO CCCC(=O)N[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OCC)C1 ZINC000175155070 527954489 /nfs/dbraw/zinc/95/44/89/527954489.db2.gz AVJUBGBOENBWRX-HNNXBMFYSA-N 1 2 349.431 2.874 10 5 EFBELO O=C(N[C@@H]1CC[C@@H]2C[C@@H]2C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000592733863 546377802 /nfs/dbraw/zinc/37/78/02/546377802.db2.gz YSRZDWWXORSPDA-MRVWCRGKSA-N 1 2 326.356 2.699 10 5 EFBELO O=C(Nc1ccc2[nH+]ccn2c1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000609619386 546396735 /nfs/dbraw/zinc/39/67/35/546396735.db2.gz DYISFRJDFNXAOH-UHFFFAOYSA-N 1 2 348.322 2.681 10 5 EFBELO Cc1cc(F)ccc1[C@H](O)C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000754219755 575407564 /nfs/dbraw/zinc/40/75/64/575407564.db2.gz VVANJJGEVBLWQZ-QGZVFWFLSA-N 1 2 331.347 2.529 10 5 EFBELO Cc1cc(F)ccc1[C@H](O)C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000754219755 575407565 /nfs/dbraw/zinc/40/75/65/575407565.db2.gz VVANJJGEVBLWQZ-QGZVFWFLSA-N 1 2 331.347 2.529 10 5 EFBELO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000754393406 575430960 /nfs/dbraw/zinc/43/09/60/575430960.db2.gz JEICBLLLLGPNDJ-BMOGTNHUSA-N 1 2 340.383 2.748 10 5 EFBELO C[C@@H]1CCCCC[N@@H+]1Cn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O ZINC000755278184 575569479 /nfs/dbraw/zinc/56/94/79/575569479.db2.gz YEDBXMGEQXUNHC-GFCCVEGCSA-N 1 2 332.360 2.634 10 5 EFBELO C[C@@H]1CCCCC[N@H+]1Cn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O ZINC000755278184 575569480 /nfs/dbraw/zinc/56/94/80/575569480.db2.gz YEDBXMGEQXUNHC-GFCCVEGCSA-N 1 2 332.360 2.634 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000757719262 575851601 /nfs/dbraw/zinc/85/16/01/575851601.db2.gz AVFKXLZQXQJQMF-UHFFFAOYSA-N 1 2 335.404 2.956 10 5 EFBELO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccc(O)c(Cl)c3)CC2)cn1 ZINC000768303485 577265376 /nfs/dbraw/zinc/26/53/76/577265376.db2.gz SCLQPQYUKGNQKP-UHFFFAOYSA-N 1 2 348.790 2.671 10 5 EFBELO C[N@H+](Cc1cc[nH]n1)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000769382978 577357262 /nfs/dbraw/zinc/35/72/62/577357262.db2.gz DQBKELGZIAUGKN-UHFFFAOYSA-N 1 2 325.166 2.712 10 5 EFBELO C[N@@H+](Cc1cc[nH]n1)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000769382978 577357263 /nfs/dbraw/zinc/35/72/63/577357263.db2.gz DQBKELGZIAUGKN-UHFFFAOYSA-N 1 2 325.166 2.712 10 5 EFBELO Cc1ccc(COC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c(C)[nH+]1 ZINC000772016221 581271443 /nfs/dbraw/zinc/27/14/43/581271443.db2.gz BZIYNTDIJSBOBB-UHFFFAOYSA-N 1 2 331.284 2.872 10 5 EFBELO Cc1cccnc1COC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001128235649 1263908259 /nfs/dbraw/zinc/90/82/59/1263908259.db2.gz SEYWGLZVWVZVKW-UHFFFAOYSA-N 1 2 338.323 2.841 10 5 EFBELO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3csc([N+](=O)[O-])c3)CC2)n1 ZINC000785867067 1275220298 /nfs/dbraw/zinc/22/02/98/1275220298.db2.gz OPYZBLAICBLXBA-UHFFFAOYSA-N 1 2 337.361 2.598 10 5 EFBELO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844437320 1279004940 /nfs/dbraw/zinc/00/49/40/1279004940.db2.gz JRCWBVSRHBLUDP-OAHLLOKOSA-N 1 2 339.342 2.963 10 5 EFBELO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844437320 1279004952 /nfs/dbraw/zinc/00/49/52/1279004952.db2.gz JRCWBVSRHBLUDP-OAHLLOKOSA-N 1 2 339.342 2.963 10 5 EFBELO CC[C@@H](C(=O)OC(C)(C)C)[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000844473204 1279027857 /nfs/dbraw/zinc/02/78/57/1279027857.db2.gz HIXFPCBIYJMSHM-LSDHHAIUSA-N 1 2 338.404 2.680 10 5 EFBELO CC[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000844473204 1279027866 /nfs/dbraw/zinc/02/78/66/1279027866.db2.gz HIXFPCBIYJMSHM-LSDHHAIUSA-N 1 2 338.404 2.680 10 5 EFBELO C[C@]12CC[N@H+](Cn3cc([N+](=O)[O-])c(-c4ccncc4)n3)C[C@H]1C2(F)F ZINC000793545149 1279737560 /nfs/dbraw/zinc/73/75/60/1279737560.db2.gz MNNJMAPWGQXVMC-HIFRSBDPSA-N 1 2 349.341 2.788 10 5 EFBELO C[C@]12CC[N@@H+](Cn3cc([N+](=O)[O-])c(-c4ccncc4)n3)C[C@H]1C2(F)F ZINC000793545149 1279737572 /nfs/dbraw/zinc/73/75/72/1279737572.db2.gz MNNJMAPWGQXVMC-HIFRSBDPSA-N 1 2 349.341 2.788 10 5 EFBELO C[C@H]1CCN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000804547705 1280272390 /nfs/dbraw/zinc/27/23/90/1280272390.db2.gz ACDARCLNJKKXQA-FZMZJTMJSA-N 1 2 331.332 2.787 10 5 EFBELO C[C@H]([NH2+]C[C@H](n1cncn1)C(F)(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872091823 1287426504 /nfs/dbraw/zinc/42/65/04/1287426504.db2.gz KJJVUCSFTYFUEG-KWQFWETISA-N 1 2 347.272 2.780 10 5 EFBELO CC1(C)[C@H]2[C@H](CCC[N@@H+]2Cc2c(F)cc([N+](=O)[O-])cc2F)[C@@H]1O ZINC000872259898 1287506922 /nfs/dbraw/zinc/50/69/22/1287506922.db2.gz DAKCAYSNDHNAIN-VQISRLSMSA-N 1 2 326.343 2.854 10 5 EFBELO CC1(C)[C@H]2[C@H](CCC[N@H+]2Cc2c(F)cc([N+](=O)[O-])cc2F)[C@@H]1O ZINC000872259898 1287506926 /nfs/dbraw/zinc/50/69/26/1287506926.db2.gz DAKCAYSNDHNAIN-VQISRLSMSA-N 1 2 326.343 2.854 10 5 EFBELO COC(=O)C[C@](C)([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])c1ccncc1 ZINC000809566362 1282284188 /nfs/dbraw/zinc/28/41/88/1282284188.db2.gz GAXJJKJNWQHUNJ-KRWDZBQOSA-N 1 2 347.346 2.697 10 5 EFBELO COc1cc(CO[NH+]=C(N)Cc2cccc(F)c2)ccc1[N+](=O)[O-] ZINC000810005174 1282749620 /nfs/dbraw/zinc/74/96/20/1282749620.db2.gz YFUKYQWBRRSIME-UHFFFAOYSA-N 1 2 333.319 2.984 10 5 EFBELO Cc1nnc(N2CC[NH+]([C@@H](C)c3ccccc3[N+](=O)[O-])CC2)s1 ZINC001176287136 1287924775 /nfs/dbraw/zinc/92/47/75/1287924775.db2.gz CZBSVDMOMUABKI-NSHDSACASA-N 1 2 333.417 2.638 10 5 EFBELO O=C(Nc1n[nH]c2ccccc21)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001135392410 1287993422 /nfs/dbraw/zinc/99/34/22/1287993422.db2.gz TZMPTFIZLWMEMW-UHFFFAOYSA-N 1 2 348.322 2.909 10 5 EFBELO CC(=O)c1c(N(C)CC(C)(C)C[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000882127015 1293107662 /nfs/dbraw/zinc/10/76/62/1293107662.db2.gz JSMGFSKZOQPVLF-UHFFFAOYSA-N 1 2 349.431 2.592 10 5 EFBELO Cc1cc([C@H]2CCCC[N@@H+]2C[C@@H](O)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC001198130936 1294887532 /nfs/dbraw/zinc/88/75/32/1294887532.db2.gz LJUNUPDMUOELQS-IAGOWNOFSA-N 1 2 330.388 2.887 10 5 EFBELO Cc1cc([C@H]2CCCC[N@H+]2C[C@@H](O)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC001198130936 1294887543 /nfs/dbraw/zinc/88/75/43/1294887543.db2.gz LJUNUPDMUOELQS-IAGOWNOFSA-N 1 2 330.388 2.887 10 5 EFBELO Cc1[nH]c(CNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)[nH+]c1C ZINC001137261064 1295893742 /nfs/dbraw/zinc/89/37/42/1295893742.db2.gz XMFSHJSINIHQKC-UHFFFAOYSA-N 1 2 326.715 2.657 10 5 EFBELO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1nnc2n1CCCCC2 ZINC000851930305 1299469556 /nfs/dbraw/zinc/46/95/56/1299469556.db2.gz NHPAXDMUYJCLDF-LLVKDONJSA-N 1 2 333.367 2.903 10 5 EFBELO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCO[C@@H](c3ccsc3)C2)cc1 ZINC000776585894 1299655574 /nfs/dbraw/zinc/65/55/74/1299655574.db2.gz CHSGNOVNGRWQPK-HZPDHXFCSA-N 1 2 334.397 2.763 10 5 EFBELO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCO[C@@H](c3ccsc3)C2)cc1 ZINC000776585894 1299655581 /nfs/dbraw/zinc/65/55/81/1299655581.db2.gz CHSGNOVNGRWQPK-HZPDHXFCSA-N 1 2 334.397 2.763 10 5 EFBELO COC(=O)N(C)CC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000852570834 1299763020 /nfs/dbraw/zinc/76/30/20/1299763020.db2.gz GJVKZRWYUONCBP-UHFFFAOYSA-N 1 2 339.392 2.512 10 5 EFBELO COC(=O)N(C)CC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000852570834 1299763027 /nfs/dbraw/zinc/76/30/27/1299763027.db2.gz GJVKZRWYUONCBP-UHFFFAOYSA-N 1 2 339.392 2.512 10 5 EFBELO O=[N+]([O-])c1ccc(C[NH+]2CCC(c3ccon3)CC2)c([N+](=O)[O-])c1 ZINC000852672988 1299804859 /nfs/dbraw/zinc/80/48/59/1299804859.db2.gz KDQSRQNHDOCKKH-UHFFFAOYSA-N 1 2 332.316 2.871 10 5 EFBELO [NH3+]C[C@H]1CCCc2ccc(C(=O)Nc3ccc(O)c([N+](=O)[O-])c3)cc21 ZINC000852819215 1299899906 /nfs/dbraw/zinc/89/99/06/1299899906.db2.gz BIZSEWAGUVQZCU-CYBMUJFWSA-N 1 2 341.367 2.931 10 5 EFBELO C[C@]1(C2CC2)C[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CCO1 ZINC000853528160 1300149077 /nfs/dbraw/zinc/14/90/77/1300149077.db2.gz GSJKFFGCQRXGCB-GOSISDBHSA-N 1 2 342.399 2.917 10 5 EFBELO C[C@]1(C2CC2)C[N@@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CCO1 ZINC000853528160 1300149081 /nfs/dbraw/zinc/14/90/81/1300149081.db2.gz GSJKFFGCQRXGCB-GOSISDBHSA-N 1 2 342.399 2.917 10 5 EFBELO O=C1OC[C@H]2C[N@@H+](Cc3cc(Cl)cc(Cl)c3[N+](=O)[O-])C[C@@H]12 ZINC000860168135 1301728977 /nfs/dbraw/zinc/72/89/77/1301728977.db2.gz QYYUVALMBLPOTB-PSASIEDQSA-N 1 2 331.155 2.506 10 5 EFBELO O=C1OC[C@H]2C[N@H+](Cc3cc(Cl)cc(Cl)c3[N+](=O)[O-])C[C@@H]12 ZINC000860168135 1301728987 /nfs/dbraw/zinc/72/89/87/1301728987.db2.gz QYYUVALMBLPOTB-PSASIEDQSA-N 1 2 331.155 2.506 10 5 EFBELO Cc1cccc(C[N@@H+]2CCO[C@@H](CNc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000866189578 1303556004 /nfs/dbraw/zinc/55/60/04/1303556004.db2.gz BUIBXVNHJRTNPC-KRWDZBQOSA-N 1 2 342.399 2.611 10 5 EFBELO Cc1cccc(C[N@H+]2CCO[C@@H](CNc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000866189578 1303556008 /nfs/dbraw/zinc/55/60/08/1303556008.db2.gz BUIBXVNHJRTNPC-KRWDZBQOSA-N 1 2 342.399 2.611 10 5 EFBELO Cc1cc(CNC(=O)NCc2ccc(C)c([N+](=O)[O-])c2)cc(C)[nH+]1 ZINC000868716370 1304438378 /nfs/dbraw/zinc/43/83/78/1304438378.db2.gz YXDAKSDPMRNETH-UHFFFAOYSA-N 1 2 328.372 2.914 10 5 EFBELO CNc1cc(CNc2cc(C)c([N+](=O)[O-])cc2C(=O)OC)cc[nH+]1 ZINC001164190654 1312465300 /nfs/dbraw/zinc/46/53/00/1312465300.db2.gz IJDFMVZJDLEOMF-UHFFFAOYSA-N 1 2 330.344 2.739 10 5 EFBELO CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(F)(F)F ZINC001289949827 1321843010 /nfs/dbraw/zinc/84/30/10/1321843010.db2.gz VMGYUYRGKCTXQM-GFCCVEGCSA-N 1 2 342.277 2.851 10 5 EFBELO O=C(c1ccnc(-c2ccccc2)c1[N+](=O)[O-])N1CC(n2cc[nH+]c2)C1 ZINC001293568608 1322286107 /nfs/dbraw/zinc/28/61/07/1322286107.db2.gz LFQIBQKUMGCFQX-UHFFFAOYSA-N 1 2 349.350 2.550 10 5 EFBELO CN(C)c1[nH+]ccc2cc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)ccc21 ZINC001298099610 1323428324 /nfs/dbraw/zinc/42/83/24/1323428324.db2.gz UCRMLTXGHMLFKK-UHFFFAOYSA-N 1 2 325.328 2.789 10 5 EFBELO CCc1[nH]c(CNC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)c[nH+]1 ZINC001303972797 1324629326 /nfs/dbraw/zinc/62/93/26/1324629326.db2.gz MAPKIHJTYNLWKX-SNVBAGLBSA-N 1 2 334.401 2.677 10 5 EFBELO CCc1[nH]cc(CNC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC001303972797 1324629334 /nfs/dbraw/zinc/62/93/34/1324629334.db2.gz MAPKIHJTYNLWKX-SNVBAGLBSA-N 1 2 334.401 2.677 10 5 EFBELO O=C(Nc1cc[nH+]c(N2CCCCC2)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC001304175739 1324644042 /nfs/dbraw/zinc/64/40/42/1324644042.db2.gz IJFUNKVUDKWRTR-UHFFFAOYSA-N 1 2 342.355 2.938 10 5 EFBELO CC(=O)c1cc([N+](=O)[O-])ccc1N1CCc2cc[nH+]c(N(C)C)c2C1 ZINC001339953922 1332120061 /nfs/dbraw/zinc/12/00/61/1332120061.db2.gz QEMSYPNVUAZCJS-UHFFFAOYSA-N 1 2 340.383 2.821 10 5 EFBELO O=C(NCc1ccccc1F)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001350215992 1333049896 /nfs/dbraw/zinc/04/98/96/1333049896.db2.gz LHMDZXWKIQHDPJ-UHFFFAOYSA-N 1 2 340.314 2.850 10 5 EFBELO Cc1noc(C)c1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001356525857 1335049042 /nfs/dbraw/zinc/04/90/42/1335049042.db2.gz QCDVFXQJZBSBCN-UHFFFAOYSA-N 1 2 327.300 2.638 10 5 EFBELO O=C(Nc1cnn(C(F)F)c1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001357649785 1335322661 /nfs/dbraw/zinc/32/26/61/1335322661.db2.gz XOQNTTCWYWJDJY-UHFFFAOYSA-N 1 2 348.269 2.624 10 5 EFBELO O=C(N[C@H](Cn1cc[nH+]c1)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC001438864700 1388872128 /nfs/dbraw/zinc/87/21/28/1388872128.db2.gz 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ZINC001620483096 1099356221 /nfs/dbraw/zinc/35/62/21/1099356221.db2.gz CVBUZIOZALEHFZ-UHFFFAOYSA-N 1 2 344.371 2.709 10 5 EFBELO Nc1c(Cl)cc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1[N+](=O)[O-] ZINC001627830090 1100036719 /nfs/dbraw/zinc/03/67/19/1100036719.db2.gz BTFZGNAFUFQZFE-VIFPVBQESA-N 1 2 349.778 2.573 10 5 EFBELO Cc1cccc2[nH+]c(CCNc3cc(F)c([N+](=O)[O-])cc3CO)cn21 ZINC001640109794 1101014981 /nfs/dbraw/zinc/01/49/81/1101014981.db2.gz LUTHTCCGNYCPPB-UHFFFAOYSA-N 1 2 344.346 2.837 10 5 EFBELO Cc1[nH]c(CNc2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)[nH+]c1C ZINC001640435373 1101045814 /nfs/dbraw/zinc/04/58/14/1101045814.db2.gz WTOBCUPPPROKCR-UHFFFAOYSA-N 1 2 338.371 2.734 10 5 EFBELO O=C(Nc1ccnn1C1CC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001640430532 1101045925 /nfs/dbraw/zinc/04/59/25/1101045925.db2.gz DJUYUDFBOAYPED-UHFFFAOYSA-N 1 2 338.327 2.564 10 5 EFBELO O=c1[nH]ccc(NCCn2c[nH+]cc2-c2ccccc2)c1[N+](=O)[O-] ZINC001643002264 1101262645 /nfs/dbraw/zinc/26/26/45/1101262645.db2.gz 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CC[C@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1noc(C)n1 ZINC001653240330 1101600514 /nfs/dbraw/zinc/60/05/14/1101600514.db2.gz LXSUIFNMWFAFIF-ZDUSSCGKSA-N 1 2 347.375 2.664 10 5 EFBELO CSc1ccc([N+](=O)[O-])cc1C(=O)NCCNc1cccc[nH+]1 ZINC001654176874 1101688670 /nfs/dbraw/zinc/68/86/70/1101688670.db2.gz TZWCSEMRKVWQNZ-UHFFFAOYSA-N 1 2 332.385 2.554 10 5 EFBELO Cc1c[nH+]c2cc(C(=O)NCc3cc([N+](=O)[O-])c(F)cc3F)ccn12 ZINC001143382996 1101740352 /nfs/dbraw/zinc/74/03/52/1101740352.db2.gz MFJGAPFCYMJDHO-UHFFFAOYSA-N 1 2 346.293 2.759 10 5 EFBELO CC[N@@H+]1CCN(c2c(Br)cccc2[N+](=O)[O-])C[C@@H]1C ZINC001655281147 1101802621 /nfs/dbraw/zinc/80/26/21/1101802621.db2.gz TXGOZIIYRQZPJQ-JTQLQIEISA-N 1 2 328.210 2.888 10 5 EFBELO CC[N@H+]1CCN(c2c(Br)cccc2[N+](=O)[O-])C[C@@H]1C ZINC001655281147 1101802646 /nfs/dbraw/zinc/80/26/46/1101802646.db2.gz TXGOZIIYRQZPJQ-JTQLQIEISA-N 1 2 328.210 2.888 10 5 EFBELO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(c2ncco2)CC1 ZINC001659716627 1102558897 /nfs/dbraw/zinc/55/88/97/1102558897.db2.gz NDEVUAAVZAMQNX-LBPRGKRZSA-N 1 2 344.371 2.789 10 5 EFBELO CCC(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC001660160307 1102621993 /nfs/dbraw/zinc/62/19/93/1102621993.db2.gz CWVYMJRKLLHXMI-UHFFFAOYSA-N 1 2 325.796 2.739 10 5 EFBELO Cc1nn(C[N@@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)c(C)c1[N+](=O)[O-] ZINC000905679536 1103495047 /nfs/dbraw/zinc/49/50/47/1103495047.db2.gz XJJCJQLNMQHUMT-LLVKDONJSA-N 1 2 336.289 2.732 10 5 EFBELO Cc1nn(C[N@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)c(C)c1[N+](=O)[O-] ZINC000905679536 1103495054 /nfs/dbraw/zinc/49/50/54/1103495054.db2.gz XJJCJQLNMQHUMT-LLVKDONJSA-N 1 2 336.289 2.732 10 5 EFBELO CC[C@@H](NC(=O)NCc1cc[nH+]c(NC)c1)c1cccc([N+](=O)[O-])c1 ZINC001680471321 1107883513 /nfs/dbraw/zinc/88/35/13/1107883513.db2.gz XNWDNJJVMNFAGX-OAHLLOKOSA-N 1 2 343.387 2.982 10 5 EFBELO Cn1c[nH+]cc1CNc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000357603994 282788310 /nfs/dbraw/zinc/78/83/10/282788310.db2.gz RLZOOTCEYSYARC-UHFFFAOYSA-N 1 2 327.319 2.563 10 5 EFBELO Cn1cc([C@@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cn1 ZINC000193879239 240343157 /nfs/dbraw/zinc/34/31/57/240343157.db2.gz XKJGMVVECIKQRY-AWEZNQCLSA-N 1 2 331.332 2.574 10 5 EFBELO Cn1cc([C@@H]2CCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cn1 ZINC000193879239 240343164 /nfs/dbraw/zinc/34/31/64/240343164.db2.gz XKJGMVVECIKQRY-AWEZNQCLSA-N 1 2 331.332 2.574 10 5 EFBELO Cc1cc(CN2CC[NH+]([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)on1 ZINC000022254812 212286497 /nfs/dbraw/zinc/28/64/97/212286497.db2.gz SBIORVMRIFMWJZ-CQSZACIVSA-N 1 2 330.388 2.770 10 5 EFBELO Cc1cc(C[NH+]2CCN([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)on1 ZINC000022254812 212286498 /nfs/dbraw/zinc/28/64/98/212286498.db2.gz SBIORVMRIFMWJZ-CQSZACIVSA-N 1 2 330.388 2.770 10 5 EFBELO O=[N+]([O-])c1ccc(C[NH+]2CC(CO)(c3ccccc3)C2)c(Cl)c1 ZINC000414550832 244228269 /nfs/dbraw/zinc/22/82/69/244228269.db2.gz NTWYFCFVGUBKBS-UHFFFAOYSA-N 1 2 332.787 2.994 10 5 EFBELO Cc1nc([C@@](C)([NH2+]CCOc2ccccc2[N+](=O)[O-])C2CC2)no1 ZINC000433298478 248040885 /nfs/dbraw/zinc/04/08/85/248040885.db2.gz ZMRDZZPSPQHCHE-INIZCTEOSA-N 1 2 332.360 2.580 10 5 EFBELO Cc1nc([C@](C)([NH2+]CCOc2ccc([N+](=O)[O-])cc2)C2CC2)no1 ZINC000433302026 248042072 /nfs/dbraw/zinc/04/20/72/248042072.db2.gz WWRNZHWMHXCBIN-MRXNPFEDSA-N 1 2 332.360 2.580 10 5 EFBELO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc21)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000434318467 248141098 /nfs/dbraw/zinc/14/10/98/248141098.db2.gz YGWKSDNTNUPKCA-UHFFFAOYSA-N 1 2 339.355 2.819 10 5 EFBELO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc21)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000434318467 248141101 /nfs/dbraw/zinc/14/11/01/248141101.db2.gz YGWKSDNTNUPKCA-UHFFFAOYSA-N 1 2 339.355 2.819 10 5 EFBELO CC(C)(C)OC(=O)[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444648385 250321475 /nfs/dbraw/zinc/32/14/75/250321475.db2.gz HGVLXEONRVAGNN-NSHDSACASA-N 1 2 346.387 2.635 10 5 EFBELO CC(C)(C)OC(=O)[C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444648385 250321479 /nfs/dbraw/zinc/32/14/79/250321479.db2.gz HGVLXEONRVAGNN-NSHDSACASA-N 1 2 346.387 2.635 10 5 EFBELO COc1ccc(OC)c(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC000446841172 250533556 /nfs/dbraw/zinc/53/35/56/250533556.db2.gz MUKLIUXHKZCKSQ-UHFFFAOYSA-N 1 2 342.355 2.778 10 5 EFBELO Cc1cc(N(C)C[C@@H]2CCCO2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000267272509 250893942 /nfs/dbraw/zinc/89/39/42/250893942.db2.gz ZYYDPUFXHUSAFQ-HNNXBMFYSA-N 1 2 328.372 2.975 10 5 EFBELO C[C@H]1CN(CC(F)(F)F)CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000449665169 251105091 /nfs/dbraw/zinc/10/50/91/251105091.db2.gz MVOURMRZSODQKA-LLVKDONJSA-N 1 2 347.337 2.616 10 5 EFBELO C[C@H]1CN(CC(F)(F)F)CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000449665169 251105095 /nfs/dbraw/zinc/10/50/95/251105095.db2.gz MVOURMRZSODQKA-LLVKDONJSA-N 1 2 347.337 2.616 10 5 EFBELO C[C@@H]1CN(CC(F)(F)F)CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000449666808 251107280 /nfs/dbraw/zinc/10/72/80/251107280.db2.gz QCIYWCALBZRAIJ-JTQLQIEISA-N 1 2 337.367 2.972 10 5 EFBELO C[C@@H]1CN(CC(F)(F)F)CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000449666808 251107284 /nfs/dbraw/zinc/10/72/84/251107284.db2.gz QCIYWCALBZRAIJ-JTQLQIEISA-N 1 2 337.367 2.972 10 5 EFBELO CC(C)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000450092841 251257424 /nfs/dbraw/zinc/25/74/24/251257424.db2.gz RZIKPGCNMZXULS-AWEZNQCLSA-N 1 2 328.372 2.899 10 5 EFBELO CO[C@@H]1C[C@H](c2nc(C)no2)[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000190161427 532969019 /nfs/dbraw/zinc/96/90/19/532969019.db2.gz WQIPKJGZRAKYIF-WQELODFKSA-N 1 2 344.371 2.761 10 5 EFBELO CO[C@@H]1C[C@H](c2nc(C)no2)[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000190161427 532969026 /nfs/dbraw/zinc/96/90/26/532969026.db2.gz WQIPKJGZRAKYIF-WQELODFKSA-N 1 2 344.371 2.761 10 5 EFBELO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)c1 ZINC000247015944 285116419 /nfs/dbraw/zinc/11/64/19/285116419.db2.gz QDXRXILHKQNAJQ-ZIAGYGMSSA-N 1 2 328.821 2.955 10 5 EFBELO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCS[C@@H]3COCC[C@H]32)c1 ZINC000247015944 285116420 /nfs/dbraw/zinc/11/64/20/285116420.db2.gz QDXRXILHKQNAJQ-ZIAGYGMSSA-N 1 2 328.821 2.955 10 5 EFBELO Cc1csc([C@H]2C[N@H+](CCOc3cccc([N+](=O)[O-])c3)CCO2)n1 ZINC000195385231 141380238 /nfs/dbraw/zinc/38/02/38/141380238.db2.gz FQRBITQXMYCJER-OAHLLOKOSA-N 1 2 349.412 2.812 10 5 EFBELO Cc1csc([C@H]2C[N@@H+](CCOc3cccc([N+](=O)[O-])c3)CCO2)n1 ZINC000195385231 141380240 /nfs/dbraw/zinc/38/02/40/141380240.db2.gz FQRBITQXMYCJER-OAHLLOKOSA-N 1 2 349.412 2.812 10 5 EFBELO Cc1csc([C@H]2C[N@H+](CCc3ccc([N+](=O)[O-])cc3)CCO2)n1 ZINC000195384928 141380318 /nfs/dbraw/zinc/38/03/18/141380318.db2.gz ORFHASNCTGQBEV-OAHLLOKOSA-N 1 2 333.413 2.976 10 5 EFBELO Cc1csc([C@H]2C[N@@H+](CCc3ccc([N+](=O)[O-])cc3)CCO2)n1 ZINC000195384928 141380319 /nfs/dbraw/zinc/38/03/19/141380319.db2.gz ORFHASNCTGQBEV-OAHLLOKOSA-N 1 2 333.413 2.976 10 5 EFBELO Cc1[nH]c2ccc(Cn3cnc4cc([N+](=O)[O-])ccc4c3=O)cc2[nH+]1 ZINC000342683608 145172615 /nfs/dbraw/zinc/17/26/15/145172615.db2.gz DTOFXQNLVFJUAE-UHFFFAOYSA-N 1 2 335.323 2.538 10 5 EFBELO Cc1[nH]c2cc(Cn3cnc4cc([N+](=O)[O-])ccc4c3=O)ccc2[nH+]1 ZINC000342683608 145172616 /nfs/dbraw/zinc/17/26/16/145172616.db2.gz DTOFXQNLVFJUAE-UHFFFAOYSA-N 1 2 335.323 2.538 10 5 EFBELO COc1cc(C[N@@H+]2CCC3(C2)Oc2ccccc2O3)ccc1[N+](=O)[O-] ZINC000344078725 145363382 /nfs/dbraw/zinc/36/33/82/145363382.db2.gz YSRRWKWIAIYJCN-UHFFFAOYSA-N 1 2 342.351 2.977 10 5 EFBELO COc1cc(C[N@H+]2CCC3(C2)Oc2ccccc2O3)ccc1[N+](=O)[O-] ZINC000344078725 145363383 /nfs/dbraw/zinc/36/33/83/145363383.db2.gz YSRRWKWIAIYJCN-UHFFFAOYSA-N 1 2 342.351 2.977 10 5 EFBELO Cc1cn2cc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3C)ccc2[nH+]1 ZINC000350731062 146084566 /nfs/dbraw/zinc/08/45/66/146084566.db2.gz YDYOMWUUCHJWSQ-UHFFFAOYSA-N 1 2 346.368 2.660 10 5 EFBELO COC(=O)C[C@@](C)([NH2+]Cc1csc([N+](=O)[O-])c1)c1ccccn1 ZINC000351816799 146209079 /nfs/dbraw/zinc/20/90/79/146209079.db2.gz SOAACTRVQCGRHT-OAHLLOKOSA-N 1 2 335.385 2.619 10 5 EFBELO COc1cc(CN2CC[NH+](Cc3ccco3)CC2)ccc1[N+](=O)[O-] ZINC000351971630 146251833 /nfs/dbraw/zinc/25/18/33/146251833.db2.gz VFPZALCIXSRWFA-UHFFFAOYSA-N 1 2 331.372 2.514 10 5 EFBELO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](Cc1cn3cc(Cl)ccc3n1)CC2 ZINC000352999190 146370624 /nfs/dbraw/zinc/37/06/24/146370624.db2.gz UGABAHCOUVDWQD-UHFFFAOYSA-N 1 2 343.774 2.849 10 5 EFBELO O=[N+]([O-])c1cnc2c(c1)C[N@H+](Cc1cn3cc(Cl)ccc3n1)CC2 ZINC000352999190 146370627 /nfs/dbraw/zinc/37/06/27/146370627.db2.gz UGABAHCOUVDWQD-UHFFFAOYSA-N 1 2 343.774 2.849 10 5 EFBELO Cc1ccncc1C[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000355580199 147002392 /nfs/dbraw/zinc/00/23/92/147002392.db2.gz HQOMROSEDVTYMV-UHFFFAOYSA-N 1 2 329.356 2.797 10 5 EFBELO Cc1ccncc1C[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000355580199 147002396 /nfs/dbraw/zinc/00/23/96/147002396.db2.gz HQOMROSEDVTYMV-UHFFFAOYSA-N 1 2 329.356 2.797 10 5 EFBELO C[C@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])[C@@H](c1ccccc1)[NH+](C)C ZINC000356260288 147192392 /nfs/dbraw/zinc/19/23/92/147192392.db2.gz VNXXXPKOFLPCSE-SJCJKPOMSA-N 1 2 343.383 2.722 10 5 EFBELO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCO[C@@H](C(=O)C2CC2)C1 ZINC000356308205 147206954 /nfs/dbraw/zinc/20/69/54/147206954.db2.gz SOUZXIMBFIPQBO-JZUUQJBKSA-N 1 2 330.384 2.678 10 5 EFBELO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCO[C@@H](C(=O)C2CC2)C1 ZINC000356308205 147206956 /nfs/dbraw/zinc/20/69/56/147206956.db2.gz SOUZXIMBFIPQBO-JZUUQJBKSA-N 1 2 330.384 2.678 10 5 EFBELO O=C(CCc1[nH]cc[nH+]1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000356803574 147340097 /nfs/dbraw/zinc/34/00/97/147340097.db2.gz HUGYKDOPJVZIOJ-UHFFFAOYSA-N 1 2 339.149 2.652 10 5 EFBELO COc1cc(N2CCN(c3c[nH+]ccc3C)CC2)c(F)cc1[N+](=O)[O-] ZINC000359945758 148231366 /nfs/dbraw/zinc/23/13/66/148231366.db2.gz GTDLLRZCFMCYDN-UHFFFAOYSA-N 1 2 346.362 2.773 10 5 EFBELO COC(=O)c1ccc([N+](=O)[O-])c(NCc2[nH+]ccn2CC(C)C)c1 ZINC000360110192 148274359 /nfs/dbraw/zinc/27/43/59/148274359.db2.gz BQPKDBIPVRBUJS-UHFFFAOYSA-N 1 2 332.360 2.846 10 5 EFBELO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000368871201 150226183 /nfs/dbraw/zinc/22/61/83/150226183.db2.gz WXXOSWQGKVPNNK-OAHLLOKOSA-N 1 2 342.399 2.711 10 5 EFBELO Cc1cc(N2C[C@H]3CC[C@@H](C2)O3)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000374093235 151283001 /nfs/dbraw/zinc/28/30/01/151283001.db2.gz QQYJHHMJNLJZID-GASCZTMLSA-N 1 2 326.356 2.728 10 5 EFBELO Cc1cc(F)cc([C@]2(F)CC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000374323584 151322392 /nfs/dbraw/zinc/32/23/92/151322392.db2.gz IGIAWOXTUQQWKF-INIZCTEOSA-N 1 2 336.342 2.810 10 5 EFBELO Cc1cc(F)cc([C@]2(F)CC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000374323584 151322394 /nfs/dbraw/zinc/32/23/94/151322394.db2.gz IGIAWOXTUQQWKF-INIZCTEOSA-N 1 2 336.342 2.810 10 5 EFBELO Cc1ccc(C2CCN(c3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)c[nH+]1 ZINC000374680007 151394573 /nfs/dbraw/zinc/39/45/73/151394573.db2.gz OPLMEHWKRDIEKC-UHFFFAOYSA-N 1 2 340.383 2.781 10 5 EFBELO Cc1cc(NCC2(C)OCCCO2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000276759780 267044155 /nfs/dbraw/zinc/04/41/55/267044155.db2.gz AFCZOIRBUBJZNN-UHFFFAOYSA-N 1 2 344.371 2.925 10 5 EFBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@@H](S(C)(=O)=O)C1 ZINC000277839419 267276763 /nfs/dbraw/zinc/27/67/63/267276763.db2.gz SCDQSDZZFVFJHS-SWLSCSKDSA-N 1 2 326.418 2.555 10 5 EFBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCCC[C@@H](S(C)(=O)=O)C1 ZINC000277839419 267276764 /nfs/dbraw/zinc/27/67/64/267276764.db2.gz SCDQSDZZFVFJHS-SWLSCSKDSA-N 1 2 326.418 2.555 10 5 EFBELO C[NH+](C)CCN(Cc1cccs1)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000280893744 273378499 /nfs/dbraw/zinc/37/84/99/273378499.db2.gz DHGOZKWXJRKXBL-UHFFFAOYSA-N 1 2 349.412 2.566 10 5 EFBELO COc1ccc(OCC[N@@H+]2CCC[C@@H]2c2cc[nH]n2)c([N+](=O)[O-])c1 ZINC000286169041 274146442 /nfs/dbraw/zinc/14/64/42/274146442.db2.gz OMVLDDFJTSMHTQ-CQSZACIVSA-N 1 2 332.360 2.542 10 5 EFBELO COc1ccc(OCC[N@H+]2CCC[C@@H]2c2cc[nH]n2)c([N+](=O)[O-])c1 ZINC000286169041 274146443 /nfs/dbraw/zinc/14/64/43/274146443.db2.gz OMVLDDFJTSMHTQ-CQSZACIVSA-N 1 2 332.360 2.542 10 5 EFBELO CN(C)c1[nH+]cccc1CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429866940 289438450 /nfs/dbraw/zinc/43/84/50/289438450.db2.gz KUFBWSOFSJBYDR-UHFFFAOYSA-N 1 2 342.399 2.650 10 5 EFBELO CN1CC[C@H]([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000339177129 290220913 /nfs/dbraw/zinc/22/09/13/290220913.db2.gz ZXBVGJGFVMPIIP-WMZOPIPTSA-N 1 2 327.384 2.835 10 5 EFBELO C[N@@H+]1CC[C@H](NCc2cc(O)ccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000339177129 290220917 /nfs/dbraw/zinc/22/09/17/290220917.db2.gz ZXBVGJGFVMPIIP-WMZOPIPTSA-N 1 2 327.384 2.835 10 5 EFBELO C[N@H+]1CC[C@H](NCc2cc(O)ccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000339177129 290220921 /nfs/dbraw/zinc/22/09/21/290220921.db2.gz ZXBVGJGFVMPIIP-WMZOPIPTSA-N 1 2 327.384 2.835 10 5 EFBELO C[C@H]1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)C[C@@H]1n1cc[nH+]c1 ZINC000152853928 293350592 /nfs/dbraw/zinc/35/05/92/293350592.db2.gz DRRFBVNSOLDNJP-BBRMVZONSA-N 1 2 343.387 2.584 10 5 EFBELO O=[N+]([O-])c1cccc2c1CC[N@H+](CC[S@](=O)c1ccccc1)C2 ZINC000153281995 293369212 /nfs/dbraw/zinc/36/92/12/293369212.db2.gz KYJMEHWWSGNIFS-HSZRJFAPSA-N 1 2 330.409 2.761 10 5 EFBELO O=[N+]([O-])c1cccc2c1CC[N@@H+](CC[S@](=O)c1ccccc1)C2 ZINC000153281995 293369215 /nfs/dbraw/zinc/36/92/15/293369215.db2.gz KYJMEHWWSGNIFS-HSZRJFAPSA-N 1 2 330.409 2.761 10 5 EFBELO O=[N+]([O-])c1cccc2c1CC[N@H+](CC[S@@](=O)c1ccccc1)C2 ZINC000153282104 293369367 /nfs/dbraw/zinc/36/93/67/293369367.db2.gz KYJMEHWWSGNIFS-QHCPKHFHSA-N 1 2 330.409 2.761 10 5 EFBELO O=[N+]([O-])c1cccc2c1CC[N@@H+](CC[S@@](=O)c1ccccc1)C2 ZINC000153282104 293369368 /nfs/dbraw/zinc/36/93/68/293369368.db2.gz KYJMEHWWSGNIFS-QHCPKHFHSA-N 1 2 330.409 2.761 10 5 EFBELO NC(=O)c1cccc(C[N@H+](Cc2csc([N+](=O)[O-])c2)C2CC2)c1 ZINC000294757945 295221786 /nfs/dbraw/zinc/22/17/86/295221786.db2.gz IVNQBNVKKFGUHB-UHFFFAOYSA-N 1 2 331.397 2.920 10 5 EFBELO NC(=O)c1cccc(C[N@@H+](Cc2csc([N+](=O)[O-])c2)C2CC2)c1 ZINC000294757945 295221787 /nfs/dbraw/zinc/22/17/87/295221787.db2.gz IVNQBNVKKFGUHB-UHFFFAOYSA-N 1 2 331.397 2.920 10 5 EFBELO CC[C@H]([NH2+][C@@H](C)c1nc(N)nc(Cl)n1)c1cccc([N+](=O)[O-])c1 ZINC000294900979 295243111 /nfs/dbraw/zinc/24/31/11/295243111.db2.gz DSWZQZLNNWARKY-KWQFWETISA-N 1 2 336.783 2.817 10 5 EFBELO CC[C@@H]([NH2+][C@H](C)c1nc(N)nc(Cl)n1)c1cccc([N+](=O)[O-])c1 ZINC000294900984 295243171 /nfs/dbraw/zinc/24/31/71/295243171.db2.gz DSWZQZLNNWARKY-LDYMZIIASA-N 1 2 336.783 2.817 10 5 EFBELO CC(F)(F)CCCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000295565604 295341870 /nfs/dbraw/zinc/34/18/70/295341870.db2.gz LVWQTOQSEJMCFC-UHFFFAOYSA-N 1 2 338.314 2.946 10 5 EFBELO CCOC(=O)c1ccnc(NCCc2[nH+]cccc2C)c1[N+](=O)[O-] ZINC000295701917 295363044 /nfs/dbraw/zinc/36/30/44/295363044.db2.gz JFHYYNBBIYPLTH-UHFFFAOYSA-N 1 2 330.344 2.525 10 5 EFBELO O=[N+]([O-])c1cccc(C[NH+]2CCN(c3ccnc(C4CC4)n3)CC2)c1 ZINC000301285010 311129169 /nfs/dbraw/zinc/12/91/69/311129169.db2.gz YYNMITQFHCENAU-UHFFFAOYSA-N 1 2 339.399 2.584 10 5 EFBELO COc1cc(NCc2ccc(-n3cc[nH+]c3)nc2)c([N+](=O)[O-])cc1F ZINC000301617522 311147900 /nfs/dbraw/zinc/14/79/00/311147900.db2.gz KMJULAMTYFQNHG-UHFFFAOYSA-N 1 2 343.318 2.935 10 5 EFBELO O=[N+]([O-])c1ccccc1N1C[C@H]2OCC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000301634278 311149030 /nfs/dbraw/zinc/14/90/30/311149030.db2.gz KHOPNZAVDNJWTM-RTBURBONSA-N 1 2 339.395 2.684 10 5 EFBELO O=[N+]([O-])c1ccccc1N1C[C@H]2OCC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000301634278 311149032 /nfs/dbraw/zinc/14/90/32/311149032.db2.gz KHOPNZAVDNJWTM-RTBURBONSA-N 1 2 339.395 2.684 10 5 EFBELO Cc1cc(N2CCC[C@H]([C@H](C)O)C2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000301753874 311156811 /nfs/dbraw/zinc/15/68/11/311156811.db2.gz CCOGPUFCLYUQOC-ZFWWWQNUSA-N 1 2 342.399 2.957 10 5 EFBELO Cc1cc(N2CCC[C@H]([C@@H](C)O)C2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000301753872 311156891 /nfs/dbraw/zinc/15/68/91/311156891.db2.gz CCOGPUFCLYUQOC-HIFRSBDPSA-N 1 2 342.399 2.957 10 5 EFBELO O=[N+]([O-])c1cc(F)c(N2CCCC[C@@H]2C[NH+]2CCOCC2)c(F)c1 ZINC000301761605 311156987 /nfs/dbraw/zinc/15/69/87/311156987.db2.gz BMICSLAXAYPJFU-GFCCVEGCSA-N 1 2 341.358 2.564 10 5 EFBELO C[C@@H](O)C[N@@H+]1CCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000302049030 311174886 /nfs/dbraw/zinc/17/48/86/311174886.db2.gz WMRZJLBWFGQVLX-NXEZZACHSA-N 1 2 348.230 2.793 10 5 EFBELO C[C@@H](O)C[N@H+]1CCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000302049030 311174887 /nfs/dbraw/zinc/17/48/87/311174887.db2.gz WMRZJLBWFGQVLX-NXEZZACHSA-N 1 2 348.230 2.793 10 5 EFBELO Cc1cc([N+](=O)[O-])cc(Cl)c1N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000302816818 311202483 /nfs/dbraw/zinc/20/24/83/311202483.db2.gz INRNBMWDYMSTAV-WFASDCNBSA-N 1 2 339.823 2.714 10 5 EFBELO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000330854100 311338887 /nfs/dbraw/zinc/33/88/87/311338887.db2.gz MQIJRBIMQZCHHE-UKRRQHHQSA-N 1 2 349.431 2.571 10 5 EFBELO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000330854100 311338888 /nfs/dbraw/zinc/33/88/88/311338888.db2.gz MQIJRBIMQZCHHE-UKRRQHHQSA-N 1 2 349.431 2.571 10 5 EFBELO CC[C@@H]1C[C@@H](Nc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CCO1 ZINC000420640670 312377910 /nfs/dbraw/zinc/37/79/10/312377910.db2.gz RDHFMMAYJMTCOV-JKSUJKDBSA-N 1 2 349.431 2.797 10 5 EFBELO CC[C@H]1[C@H](CO)CCN1c1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000450653010 312730888 /nfs/dbraw/zinc/73/08/88/312730888.db2.gz GFJZDTVFSFSSCH-HOCLYGCPSA-N 1 2 342.399 2.957 10 5 EFBELO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(CC(F)F)CC1 ZINC000470184909 313130436 /nfs/dbraw/zinc/13/04/36/313130436.db2.gz IUTJCGCWCMAXDH-LCYFTJDESA-N 1 2 325.359 2.881 10 5 EFBELO Cn1ccnc1[C@H]([NH2+]CCOCC1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000552065214 318240855 /nfs/dbraw/zinc/24/08/55/318240855.db2.gz KOPAFURAWYEQNV-QGZVFWFLSA-N 1 2 344.415 2.824 10 5 EFBELO CC1(C)C[NH+](CC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000570104519 319444861 /nfs/dbraw/zinc/44/48/61/319444861.db2.gz MKRMPZNJQNWJFX-UHFFFAOYSA-N 1 2 345.321 2.572 10 5 EFBELO Cc1csc([C@H](C)[NH2+]CC(=O)Nc2cc([N+](=O)[O-])ccc2C)n1 ZINC000184201302 323358956 /nfs/dbraw/zinc/35/89/56/323358956.db2.gz NGKCKJIFCATZTR-NSHDSACASA-N 1 2 334.401 2.957 10 5 EFBELO NC(=O)c1ccc(C[N@@H+]2CC[C@@H]2c2ccccc2F)c([N+](=O)[O-])c1 ZINC000081626755 473233909 /nfs/dbraw/zinc/23/39/09/473233909.db2.gz TXHSHCIBYRCRCG-OAHLLOKOSA-N 1 2 329.331 2.780 10 5 EFBELO NC(=O)c1ccc(C[N@H+]2CC[C@@H]2c2ccccc2F)c([N+](=O)[O-])c1 ZINC000081626755 473233913 /nfs/dbraw/zinc/23/39/13/473233913.db2.gz TXHSHCIBYRCRCG-OAHLLOKOSA-N 1 2 329.331 2.780 10 5 EFBELO Cc1[nH+]c2ccccc2n1CCn1c2ccc([N+](=O)[O-])cc2oc1=O ZINC000095981510 473240589 /nfs/dbraw/zinc/24/05/89/473240589.db2.gz NXUFNHJHQFRSCX-UHFFFAOYSA-N 1 2 338.323 2.861 10 5 EFBELO Cc1cc(NCCNC(=O)c2cccc([N+](=O)[O-])c2)nc(C(C)C)[nH+]1 ZINC000600365028 468541020 /nfs/dbraw/zinc/54/10/20/468541020.db2.gz HPYSLEUKIHEUMZ-UHFFFAOYSA-N 1 2 343.387 2.659 10 5 EFBELO Cc1cc(NCCNC(=O)c2ccc([N+](=O)[O-])cc2)nc(C(C)C)[nH+]1 ZINC000600365370 468541451 /nfs/dbraw/zinc/54/14/51/468541451.db2.gz JEWARTMJSYEABH-UHFFFAOYSA-N 1 2 343.387 2.659 10 5 EFBELO CCn1cc([C@@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3C)CCO2)cn1 ZINC000190746895 473382751 /nfs/dbraw/zinc/38/27/51/473382751.db2.gz QBTSTUBNUIWRJJ-KRWDZBQOSA-N 1 2 330.388 2.693 10 5 EFBELO CCn1cc([C@@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3C)CCO2)cn1 ZINC000190746895 473382755 /nfs/dbraw/zinc/38/27/55/473382755.db2.gz QBTSTUBNUIWRJJ-KRWDZBQOSA-N 1 2 330.388 2.693 10 5 EFBELO COCc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000125262117 473383229 /nfs/dbraw/zinc/38/32/29/473383229.db2.gz XDPLPSODJMVJJH-TZMCWYRMSA-N 1 2 345.403 2.827 10 5 EFBELO CCn1cc([C@H]2C[N@@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CCO2)cn1 ZINC000190760399 473386437 /nfs/dbraw/zinc/38/64/37/473386437.db2.gz QWJDQYDTNPHYLX-SUMWQHHRSA-N 1 2 330.388 2.946 10 5 EFBELO CCn1cc([C@H]2C[N@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CCO2)cn1 ZINC000190760399 473386445 /nfs/dbraw/zinc/38/64/45/473386445.db2.gz QWJDQYDTNPHYLX-SUMWQHHRSA-N 1 2 330.388 2.946 10 5 EFBELO C[C@H]1CC[C@H](O)C[N@@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000399204385 476881700 /nfs/dbraw/zinc/88/17/00/476881700.db2.gz PACOIQJHDBIOAO-CABZTGNLSA-N 1 2 329.194 2.703 10 5 EFBELO C[C@H]1CC[C@H](O)C[N@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000399204385 476881707 /nfs/dbraw/zinc/88/17/07/476881707.db2.gz PACOIQJHDBIOAO-CABZTGNLSA-N 1 2 329.194 2.703 10 5 EFBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CC(=O)NCc1cccs1 ZINC000016420231 471934870 /nfs/dbraw/zinc/93/48/70/471934870.db2.gz WJXHLPNSAPJATI-LBPRGKRZSA-N 1 2 333.413 2.966 10 5 EFBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CC(=O)NCc1cccs1 ZINC000016420231 471934874 /nfs/dbraw/zinc/93/48/74/471934874.db2.gz WJXHLPNSAPJATI-LBPRGKRZSA-N 1 2 333.413 2.966 10 5 EFBELO COc1cccc(C[N@H+](C)CC(=O)Nc2ccc(F)cc2[N+](=O)[O-])c1 ZINC000016558695 471941214 /nfs/dbraw/zinc/94/12/14/471941214.db2.gz SPTMVKCGGHVMFL-UHFFFAOYSA-N 1 2 347.346 2.813 10 5 EFBELO COc1cccc(C[N@@H+](C)CC(=O)Nc2ccc(F)cc2[N+](=O)[O-])c1 ZINC000016558695 471941216 /nfs/dbraw/zinc/94/12/16/471941216.db2.gz SPTMVKCGGHVMFL-UHFFFAOYSA-N 1 2 347.346 2.813 10 5 EFBELO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075533486 472152691 /nfs/dbraw/zinc/15/26/91/472152691.db2.gz SYBTWYKITWRFIY-LLVKDONJSA-N 1 2 339.355 2.819 10 5 EFBELO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)c1ccc([N+](=O)[O-])s1 ZINC000028695029 472233189 /nfs/dbraw/zinc/23/31/89/472233189.db2.gz GFOILTWFLZRYKT-UHFFFAOYSA-N 1 2 342.380 2.831 10 5 EFBELO Cc1ccc(OCC[N@@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000029152077 472254675 /nfs/dbraw/zinc/25/46/75/472254675.db2.gz DEGNGYUQJQITJD-UHFFFAOYSA-N 1 2 343.383 2.853 10 5 EFBELO Cc1ccc(OCC[N@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000029152077 472254681 /nfs/dbraw/zinc/25/46/81/472254681.db2.gz DEGNGYUQJQITJD-UHFFFAOYSA-N 1 2 343.383 2.853 10 5 EFBELO CCc1nsc(N2CC[NH+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000076062530 472257570 /nfs/dbraw/zinc/25/75/70/472257570.db2.gz UQNRJJGMDFYBFZ-LBPRGKRZSA-N 1 2 347.444 2.892 10 5 EFBELO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCO[C@H]4CCCC[C@@H]43)o2)cc1 ZINC000076710155 472388744 /nfs/dbraw/zinc/38/87/44/472388744.db2.gz FLMXRCOSQRPQBS-GJZGRUSLSA-N 1 2 344.371 2.788 10 5 EFBELO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCO[C@H]4CCCC[C@@H]43)o2)cc1 ZINC000076710155 472388748 /nfs/dbraw/zinc/38/87/48/472388748.db2.gz FLMXRCOSQRPQBS-GJZGRUSLSA-N 1 2 344.371 2.788 10 5 EFBELO CCCn1cc[nH+]c1-c1cccc(NC(=O)c2n[nH]cc2[N+](=O)[O-])c1 ZINC000097031986 472412518 /nfs/dbraw/zinc/41/25/18/472412518.db2.gz AVXHQEMFLDQGDC-UHFFFAOYSA-N 1 2 340.343 2.844 10 5 EFBELO COc1c(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c(C)nn1C ZINC000154313327 472416046 /nfs/dbraw/zinc/41/60/46/472416046.db2.gz UEWUYVQVDUWRFY-UHFFFAOYSA-N 1 2 330.388 2.810 10 5 EFBELO COc1c(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c(C)nn1C ZINC000154313327 472416051 /nfs/dbraw/zinc/41/60/51/472416051.db2.gz UEWUYVQVDUWRFY-UHFFFAOYSA-N 1 2 330.388 2.810 10 5 EFBELO CSc1ccc(C(=O)NCc2ccc[nH+]c2N(C)C)cc1[N+](=O)[O-] ZINC000032685620 472454837 /nfs/dbraw/zinc/45/48/37/472454837.db2.gz PPIXDBXYDNEGHM-UHFFFAOYSA-N 1 2 346.412 2.708 10 5 EFBELO O=C(NCc1cn2cc(Cl)ccc2[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000032902291 472478749 /nfs/dbraw/zinc/47/87/49/472478749.db2.gz RHZXSTCFDQZLRP-UHFFFAOYSA-N 1 2 330.731 2.826 10 5 EFBELO Cn1cc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c(C(F)(F)F)n1 ZINC000155347972 472535121 /nfs/dbraw/zinc/53/51/21/472535121.db2.gz QWAKQSCQWYHQOR-UHFFFAOYSA-N 1 2 328.294 2.979 10 5 EFBELO Cn1cc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c(C(F)(F)F)n1 ZINC000155347972 472535126 /nfs/dbraw/zinc/53/51/26/472535126.db2.gz QWAKQSCQWYHQOR-UHFFFAOYSA-N 1 2 328.294 2.979 10 5 EFBELO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000071867506 472590424 /nfs/dbraw/zinc/59/04/24/472590424.db2.gz PCOCOTGFEGSJLR-UHFFFAOYSA-N 1 2 329.360 2.758 10 5 EFBELO Cc1cccc([C@@H](CNc2ccncc2[N+](=O)[O-])[NH+]2CCOCC2)c1 ZINC000060375306 472649522 /nfs/dbraw/zinc/64/95/22/472649522.db2.gz CACGGQANDBRBFD-QGZVFWFLSA-N 1 2 342.399 2.784 10 5 EFBELO COc1ccc([C@H](Nc2ccc([N+](=O)[O-])nc2)c2[nH+]ccn2C)cc1 ZINC000073109550 472773537 /nfs/dbraw/zinc/77/35/37/472773537.db2.gz BGGSXSBNNAWOHH-INIZCTEOSA-N 1 2 339.355 2.933 10 5 EFBELO Cc1noc([C@@H](C)N2CC[NH+]([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000105864199 472792103 /nfs/dbraw/zinc/79/21/03/472792103.db2.gz AJYHQZFMWDMMOW-CHWSQXEVSA-N 1 2 345.403 2.726 10 5 EFBELO Cc1cnn(C[C@H]2C[N@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CCO2)c1 ZINC000105892031 472799002 /nfs/dbraw/zinc/79/90/02/472799002.db2.gz CQWMEGBKWHPUCO-WMLDXEAASA-N 1 2 330.388 2.562 10 5 EFBELO Cc1cnn(C[C@H]2C[N@@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CCO2)c1 ZINC000105892031 472799013 /nfs/dbraw/zinc/79/90/13/472799013.db2.gz CQWMEGBKWHPUCO-WMLDXEAASA-N 1 2 330.388 2.562 10 5 EFBELO CCOc1ccc(C[N@H+](CC)Cc2c([N+](=O)[O-])ncn2C)cc1OC ZINC000078988227 472801750 /nfs/dbraw/zinc/80/17/50/472801750.db2.gz CESLOPWCQQBHTN-UHFFFAOYSA-N 1 2 348.403 2.758 10 5 EFBELO CCOc1ccc(C[N@@H+](CC)Cc2c([N+](=O)[O-])ncn2C)cc1OC ZINC000078988227 472801756 /nfs/dbraw/zinc/80/17/56/472801756.db2.gz CESLOPWCQQBHTN-UHFFFAOYSA-N 1 2 348.403 2.758 10 5 EFBELO O=[N+]([O-])c1cc(C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)c2c(c1)COCO2 ZINC000051995990 473077382 /nfs/dbraw/zinc/07/73/82/473077382.db2.gz KPGNJRASZDWHGY-HOTGVXAUSA-N 1 2 334.372 2.605 10 5 EFBELO O=[N+]([O-])c1cc(C[N@H+]2CCO[C@H]3CCCC[C@@H]32)c2c(c1)COCO2 ZINC000051995990 473077387 /nfs/dbraw/zinc/07/73/87/473077387.db2.gz KPGNJRASZDWHGY-HOTGVXAUSA-N 1 2 334.372 2.605 10 5 EFBELO COC(=O)c1ccccc1C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000093443631 473107779 /nfs/dbraw/zinc/10/77/79/473107779.db2.gz ISALXCAEPQJYKQ-UHFFFAOYSA-N 1 2 326.352 2.940 10 5 EFBELO COC(=O)c1ccccc1C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000093443631 473107787 /nfs/dbraw/zinc/10/77/87/473107787.db2.gz ISALXCAEPQJYKQ-UHFFFAOYSA-N 1 2 326.352 2.940 10 5 EFBELO C[C@H]1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000123221046 473113156 /nfs/dbraw/zinc/11/31/56/473113156.db2.gz BMFYUHRDKFJKAR-NHYWBVRUSA-N 1 2 332.335 2.654 10 5 EFBELO CN(Cc1ccc(N)[nH+]c1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000135981679 473125166 /nfs/dbraw/zinc/12/51/66/473125166.db2.gz BQTDTLOVWHGYMR-UHFFFAOYSA-N 1 2 337.177 2.971 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000125381634 473401829 /nfs/dbraw/zinc/40/18/29/473401829.db2.gz XQSFWJMCSAYSRF-BLLLJJGKSA-N 1 2 328.372 2.823 10 5 EFBELO COc1ccc(C[N@@H+]2CCO[C@H](c3cccc(O)c3)C2)cc1[N+](=O)[O-] ZINC000126758540 473542850 /nfs/dbraw/zinc/54/28/50/473542850.db2.gz QMBCOQDBIZJDNP-SFHVURJKSA-N 1 2 344.367 2.883 10 5 EFBELO COc1ccc(C[N@H+]2CCO[C@H](c3cccc(O)c3)C2)cc1[N+](=O)[O-] ZINC000126758540 473542858 /nfs/dbraw/zinc/54/28/58/473542858.db2.gz QMBCOQDBIZJDNP-SFHVURJKSA-N 1 2 344.367 2.883 10 5 EFBELO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@@]1(C)C(N)=O ZINC000185935607 473552591 /nfs/dbraw/zinc/55/25/91/473552591.db2.gz DCWVVAXMUXPLMJ-KRWDZBQOSA-N 1 2 335.404 2.612 10 5 EFBELO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC[C@@]1(C)C(N)=O ZINC000185935607 473552594 /nfs/dbraw/zinc/55/25/94/473552594.db2.gz DCWVVAXMUXPLMJ-KRWDZBQOSA-N 1 2 335.404 2.612 10 5 EFBELO Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC000170604811 473563213 /nfs/dbraw/zinc/56/32/13/473563213.db2.gz FIHJDVVFYDEFRZ-UHFFFAOYSA-N 1 2 337.339 2.674 10 5 EFBELO Cc1cc(NC(=O)NCc2ccc[nH+]c2N(C)C)ccc1[N+](=O)[O-] ZINC000193667666 473799925 /nfs/dbraw/zinc/79/99/25/473799925.db2.gz PGWBYZSKIWLBAZ-UHFFFAOYSA-N 1 2 329.360 2.686 10 5 EFBELO Cc1cnn([C@@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)c1 ZINC000193916797 473821301 /nfs/dbraw/zinc/82/13/01/473821301.db2.gz DRTJMAUXXRRVSX-OAHLLOKOSA-N 1 2 345.359 2.845 10 5 EFBELO Cc1cnn([C@@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)c1 ZINC000193916797 473821304 /nfs/dbraw/zinc/82/13/04/473821304.db2.gz DRTJMAUXXRRVSX-OAHLLOKOSA-N 1 2 345.359 2.845 10 5 EFBELO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000194839677 473962394 /nfs/dbraw/zinc/96/23/94/473962394.db2.gz CJPYPHSANFLJBX-IUODEOHRSA-N 1 2 328.372 2.823 10 5 EFBELO O=[N+]([O-])c1cc(C[N@@H+]2CCO[C@@H]3CCCC[C@H]32)c2c(c1)COCO2 ZINC000230251150 474260131 /nfs/dbraw/zinc/26/01/31/474260131.db2.gz KPGNJRASZDWHGY-HZPDHXFCSA-N 1 2 334.372 2.605 10 5 EFBELO O=[N+]([O-])c1cc(C[N@H+]2CCO[C@@H]3CCCC[C@H]32)c2c(c1)COCO2 ZINC000230251150 474260140 /nfs/dbraw/zinc/26/01/40/474260140.db2.gz KPGNJRASZDWHGY-HZPDHXFCSA-N 1 2 334.372 2.605 10 5 EFBELO Cn1c2c([nH+]c1[C@H]1CCCN1c1ncccc1[N+](=O)[O-])CCCC2 ZINC000275755893 474307363 /nfs/dbraw/zinc/30/73/63/474307363.db2.gz WMKCPOMTHGIXKJ-CQSZACIVSA-N 1 2 327.388 2.944 10 5 EFBELO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000184758497 474602030 /nfs/dbraw/zinc/60/20/30/474602030.db2.gz IYLSUALUKFJBAR-ZDUSSCGKSA-N 1 2 344.371 2.537 10 5 EFBELO Cc1ccccc1N1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000338887660 474703590 /nfs/dbraw/zinc/70/35/90/474703590.db2.gz SYMWBAXHMDMNKC-UHFFFAOYSA-N 1 2 327.384 2.931 10 5 EFBELO Cc1cnn(C[C@@H]2C[N@H+](C/C=C\c3ccccc3[N+](=O)[O-])CCO2)c1 ZINC000255112813 474804789 /nfs/dbraw/zinc/80/47/89/474804789.db2.gz LWBFCMFODWYEIU-AATOQMJSSA-N 1 2 342.399 2.514 10 5 EFBELO Cc1cnn(C[C@@H]2C[N@@H+](C/C=C\c3ccccc3[N+](=O)[O-])CCO2)c1 ZINC000255112813 474804796 /nfs/dbraw/zinc/80/47/96/474804796.db2.gz LWBFCMFODWYEIU-AATOQMJSSA-N 1 2 342.399 2.514 10 5 EFBELO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000310965259 474832279 /nfs/dbraw/zinc/83/22/79/474832279.db2.gz CFASTSDFDKIOOP-ZDUSSCGKSA-N 1 2 343.383 2.551 10 5 EFBELO C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000310965259 474832285 /nfs/dbraw/zinc/83/22/85/474832285.db2.gz CFASTSDFDKIOOP-ZDUSSCGKSA-N 1 2 343.383 2.551 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(C(=O)c2ccsc2)CC1 ZINC000273482940 474921319 /nfs/dbraw/zinc/92/13/19/474921319.db2.gz UYVGKWKZVNWXSJ-UHFFFAOYSA-N 1 2 345.424 2.923 10 5 EFBELO Cc1cn2cc(NC(=O)CCNc3ccccc3[N+](=O)[O-])ccc2[nH+]1 ZINC000339123032 474948111 /nfs/dbraw/zinc/94/81/11/474948111.db2.gz DUSVJNRDWMWGTM-UHFFFAOYSA-N 1 2 339.355 2.992 10 5 EFBELO Cc1cn2cc(NC(=O)COc3cccc([N+](=O)[O-])c3)ccc2[nH+]1 ZINC000339124182 474950850 /nfs/dbraw/zinc/95/08/50/474950850.db2.gz LLMJARRQGGJCBI-UHFFFAOYSA-N 1 2 326.312 2.568 10 5 EFBELO Cc1cn2cc(NC(=O)CNc3ccccc3[N+](=O)[O-])ccc2[nH+]1 ZINC000339276032 475110231 /nfs/dbraw/zinc/11/02/31/475110231.db2.gz ZCVGYAFVQNOKRS-UHFFFAOYSA-N 1 2 325.328 2.602 10 5 EFBELO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCSC[C@@H]1CCO ZINC000347378702 475280681 /nfs/dbraw/zinc/28/06/81/475280681.db2.gz QNTVRENSBLMQPT-HNNXBMFYSA-N 1 2 340.445 2.682 10 5 EFBELO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCSC[C@@H]1CCO ZINC000347378702 475280689 /nfs/dbraw/zinc/28/06/89/475280689.db2.gz QNTVRENSBLMQPT-HNNXBMFYSA-N 1 2 340.445 2.682 10 5 EFBELO C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc(Cc2c[nH+]cn2C)no1 ZINC000357955932 475291294 /nfs/dbraw/zinc/29/12/94/475291294.db2.gz YGXRSALRYRVHHB-XFFZJAGNSA-N 1 2 325.328 2.863 10 5 EFBELO COc1cc(C[N@@H+]2CCC[C@H]2C(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC000352527311 475383177 /nfs/dbraw/zinc/38/31/77/475383177.db2.gz YWNFYTFBWBLYNX-AWEZNQCLSA-N 1 2 336.388 2.910 10 5 EFBELO COc1cc(C[N@H+]2CCC[C@H]2C(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC000352527311 475383184 /nfs/dbraw/zinc/38/31/84/475383184.db2.gz YWNFYTFBWBLYNX-AWEZNQCLSA-N 1 2 336.388 2.910 10 5 EFBELO Cc1ccncc1C[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000361411718 475427754 /nfs/dbraw/zinc/42/77/54/475427754.db2.gz ZNBQYBUFHAIYKG-ZDUSSCGKSA-N 1 2 328.372 2.757 10 5 EFBELO Cc1ccncc1C[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000361411718 475427763 /nfs/dbraw/zinc/42/77/63/475427763.db2.gz ZNBQYBUFHAIYKG-ZDUSSCGKSA-N 1 2 328.372 2.757 10 5 EFBELO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](Cc1cccc(-n3cccn3)c1)CC2 ZINC000353537149 476055881 /nfs/dbraw/zinc/05/58/81/476055881.db2.gz WMVIYOGMODJRTQ-UHFFFAOYSA-N 1 2 335.367 2.734 10 5 EFBELO O=[N+]([O-])c1cnc2c(c1)C[N@H+](Cc1cccc(-n3cccn3)c1)CC2 ZINC000353537149 476055892 /nfs/dbraw/zinc/05/58/92/476055892.db2.gz WMVIYOGMODJRTQ-UHFFFAOYSA-N 1 2 335.367 2.734 10 5 EFBELO Cc1[nH]c2ccc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2[nH+]1 ZINC000357067561 476203167 /nfs/dbraw/zinc/20/31/67/476203167.db2.gz KAVJCFNFEHUCEK-UHFFFAOYSA-N 1 2 331.353 2.753 10 5 EFBELO Cc1[nH]c2cc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)ccc2[nH+]1 ZINC000357067561 476203173 /nfs/dbraw/zinc/20/31/73/476203173.db2.gz KAVJCFNFEHUCEK-UHFFFAOYSA-N 1 2 331.353 2.753 10 5 EFBELO Cc1cc(CC[NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)on1 ZINC000353978463 476344767 /nfs/dbraw/zinc/34/47/67/476344767.db2.gz LGOAJXVDARSOHK-MRXNPFEDSA-N 1 2 341.371 2.546 10 5 EFBELO C[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])s2)[C@@H]1c1ccc(F)cc1 ZINC000362778320 476403893 /nfs/dbraw/zinc/40/38/93/476403893.db2.gz QWQYTGAIDWECNX-WFASDCNBSA-N 1 2 349.387 2.971 10 5 EFBELO C[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])s2)[C@@H]1c1ccc(F)cc1 ZINC000362778320 476403898 /nfs/dbraw/zinc/40/38/98/476403898.db2.gz QWQYTGAIDWECNX-WFASDCNBSA-N 1 2 349.387 2.971 10 5 EFBELO C[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])s2)[C@H]1c1ccc(F)cc1 ZINC000362778318 476403990 /nfs/dbraw/zinc/40/39/90/476403990.db2.gz QWQYTGAIDWECNX-SWLSCSKDSA-N 1 2 349.387 2.971 10 5 EFBELO C[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])s2)[C@H]1c1ccc(F)cc1 ZINC000362778318 476403999 /nfs/dbraw/zinc/40/39/99/476403999.db2.gz QWQYTGAIDWECNX-SWLSCSKDSA-N 1 2 349.387 2.971 10 5 EFBELO CC[C@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)[C@@H](CC)CN1C(C)=O ZINC000354117920 476439732 /nfs/dbraw/zinc/43/97/32/476439732.db2.gz UECYFISGCVVJPE-KBPBESRZSA-N 1 2 325.434 2.878 10 5 EFBELO CC[C@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)[C@@H](CC)CN1C(C)=O ZINC000354117920 476439737 /nfs/dbraw/zinc/43/97/37/476439737.db2.gz UECYFISGCVVJPE-KBPBESRZSA-N 1 2 325.434 2.878 10 5 EFBELO CN(CC[N@H+](C)C1CCCCC1)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000351708356 476495680 /nfs/dbraw/zinc/49/56/80/476495680.db2.gz YOPWCARNEWNFKC-UHFFFAOYSA-N 1 2 335.404 2.637 10 5 EFBELO CN(CC[N@@H+](C)C1CCCCC1)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000351708356 476495686 /nfs/dbraw/zinc/49/56/86/476495686.db2.gz YOPWCARNEWNFKC-UHFFFAOYSA-N 1 2 335.404 2.637 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365568722 476626914 /nfs/dbraw/zinc/62/69/14/476626914.db2.gz FOTQPJOWCXZEHX-CYBMUJFWSA-N 1 2 328.372 2.657 10 5 EFBELO O=[N+]([O-])c1ccc(F)cc1C[NH+]1CCC(Oc2cnccn2)CC1 ZINC000365818614 476714418 /nfs/dbraw/zinc/71/44/18/476714418.db2.gz GDRMQNMLRJKQFA-UHFFFAOYSA-N 1 2 332.335 2.567 10 5 EFBELO CCOc1ccc(C(=O)NCc2c[nH+]c(C)cc2C)cc1[N+](=O)[O-] ZINC000456870401 476770395 /nfs/dbraw/zinc/77/03/95/476770395.db2.gz ZIBMKOIASZUCDH-UHFFFAOYSA-N 1 2 329.356 2.935 10 5 EFBELO O=C(N[C@H]1CC12CCCC2)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000430212484 476782275 /nfs/dbraw/zinc/78/22/75/476782275.db2.gz NNKALDYUHIEBMI-HNNXBMFYSA-N 1 2 326.356 2.843 10 5 EFBELO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000430280446 476801152 /nfs/dbraw/zinc/80/11/52/476801152.db2.gz PKSLRMBVGFNWIW-XNJGSVPQSA-N 1 2 338.379 2.892 10 5 EFBELO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000430280446 476801157 /nfs/dbraw/zinc/80/11/57/476801157.db2.gz PKSLRMBVGFNWIW-XNJGSVPQSA-N 1 2 338.379 2.892 10 5 EFBELO C[C@@H]1C[C@]2(CCO1)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@H](C)O2 ZINC000430280438 476801803 /nfs/dbraw/zinc/80/18/03/476801803.db2.gz PKSLRMBVGFNWIW-IIYDPXPESA-N 1 2 338.379 2.892 10 5 EFBELO C[C@@H]1C[C@]2(CCO1)C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@H](C)O2 ZINC000430280438 476801812 /nfs/dbraw/zinc/80/18/12/476801812.db2.gz PKSLRMBVGFNWIW-IIYDPXPESA-N 1 2 338.379 2.892 10 5 EFBELO C[C@@H]1C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H](C)[C@H](C)O1 ZINC000446077809 476825069 /nfs/dbraw/zinc/82/50/69/476825069.db2.gz KTOWJAROFXRTJX-UTUOFQBUSA-N 1 2 332.360 2.643 10 5 EFBELO C[C@@H]1C[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H](C)[C@H](C)O1 ZINC000446077809 476825074 /nfs/dbraw/zinc/82/50/74/476825074.db2.gz KTOWJAROFXRTJX-UTUOFQBUSA-N 1 2 332.360 2.643 10 5 EFBELO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000446160762 476840225 /nfs/dbraw/zinc/84/02/25/476840225.db2.gz INMAMTFEZWQSEW-JTQLQIEISA-N 1 2 336.779 2.819 10 5 EFBELO Cc1c[nH+]c(CCn2cc(Br)c([N+](=O)[O-])n2)c(C)c1 ZINC000401055541 476897669 /nfs/dbraw/zinc/89/76/69/476897669.db2.gz CMCCPHVEAOCNIB-UHFFFAOYSA-N 1 2 325.166 2.808 10 5 EFBELO CS(=O)(=O)CC[C@@H]1CCCC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000366426996 477001993 /nfs/dbraw/zinc/00/19/93/477001993.db2.gz BXURNAWHBPUUJC-AWEZNQCLSA-N 1 2 344.408 2.523 10 5 EFBELO CS(=O)(=O)CC[C@@H]1CCCC[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000366426996 477001996 /nfs/dbraw/zinc/00/19/96/477001996.db2.gz BXURNAWHBPUUJC-AWEZNQCLSA-N 1 2 344.408 2.523 10 5 EFBELO Cc1c(C[N@@H+]2CCCC[C@@H]2CCS(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000366451226 477017126 /nfs/dbraw/zinc/01/71/26/477017126.db2.gz XYWPACKQVSUOTF-OAHLLOKOSA-N 1 2 340.445 2.692 10 5 EFBELO Cc1c(C[N@H+]2CCCC[C@@H]2CCS(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000366451226 477017133 /nfs/dbraw/zinc/01/71/33/477017133.db2.gz XYWPACKQVSUOTF-OAHLLOKOSA-N 1 2 340.445 2.692 10 5 EFBELO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000371450628 477325401 /nfs/dbraw/zinc/32/54/01/477325401.db2.gz MQPXVQXBHIVFMC-GFCCVEGCSA-N 1 2 328.372 2.530 10 5 EFBELO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000371450628 477325407 /nfs/dbraw/zinc/32/54/07/477325407.db2.gz MQPXVQXBHIVFMC-GFCCVEGCSA-N 1 2 328.372 2.530 10 5 EFBELO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000376752606 477488118 /nfs/dbraw/zinc/48/81/18/477488118.db2.gz TZVCXHLWJVAIKE-MRVPVSSYSA-N 1 2 335.751 2.650 10 5 EFBELO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000376752606 477488121 /nfs/dbraw/zinc/48/81/21/477488121.db2.gz TZVCXHLWJVAIKE-MRVPVSSYSA-N 1 2 335.751 2.650 10 5 EFBELO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCO[C@@H](C3CCCCC3)C2)c1 ZINC000371828622 477515504 /nfs/dbraw/zinc/51/55/04/477515504.db2.gz KMJKFXIRWOVIGG-ZWKOTPCHSA-N 1 2 334.416 2.909 10 5 EFBELO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCO[C@@H](C3CCCCC3)C2)c1 ZINC000371828622 477515508 /nfs/dbraw/zinc/51/55/08/477515508.db2.gz KMJKFXIRWOVIGG-ZWKOTPCHSA-N 1 2 334.416 2.909 10 5 EFBELO C[C@H](C(=O)N1CCC(c2c[nH+]c[nH]2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000371829900 477516505 /nfs/dbraw/zinc/51/65/05/477516505.db2.gz WPPDPPSIKFFWDQ-NSHDSACASA-N 1 2 346.362 2.967 10 5 EFBELO C[C@H](C(=O)N1CCC(c2c[nH]c[nH+]2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000371829900 477516514 /nfs/dbraw/zinc/51/65/14/477516514.db2.gz WPPDPPSIKFFWDQ-NSHDSACASA-N 1 2 346.362 2.967 10 5 EFBELO CO[C@@H](C)c1noc(CN(C)c2[nH+]ccc3ccc([N+](=O)[O-])cc32)n1 ZINC000413166515 477549879 /nfs/dbraw/zinc/54/98/79/477549879.db2.gz GQNFGACRWSBMNI-JTQLQIEISA-N 1 2 343.343 2.870 10 5 EFBELO C[C@@H](CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21)N1CCCCC1=O ZINC000413259480 477594163 /nfs/dbraw/zinc/59/41/63/477594163.db2.gz QARXVUYPOHNHNT-LBPRGKRZSA-N 1 2 328.372 2.956 10 5 EFBELO COc1cc(C[N@@H+]2CCOCC[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000367663904 477625252 /nfs/dbraw/zinc/62/52/52/477625252.db2.gz RZOLCTFETBSILN-SNVBAGLBSA-N 1 2 346.330 2.816 10 5 EFBELO COc1cc(C[N@H+]2CCOCC[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000367663904 477625255 /nfs/dbraw/zinc/62/52/55/477625255.db2.gz RZOLCTFETBSILN-SNVBAGLBSA-N 1 2 346.330 2.816 10 5 EFBELO CCn1cc[nH+]c1[C@H](C)NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000456349039 477876826 /nfs/dbraw/zinc/87/68/26/477876826.db2.gz JANOBAQCNYGAKL-VIFPVBQESA-N 1 2 338.314 2.509 10 5 EFBELO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000428717729 477966976 /nfs/dbraw/zinc/96/69/76/477966976.db2.gz DBMWBMXGDFIHHQ-SWLSCSKDSA-N 1 2 339.342 2.819 10 5 EFBELO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000428717729 477966983 /nfs/dbraw/zinc/96/69/83/477966983.db2.gz DBMWBMXGDFIHHQ-SWLSCSKDSA-N 1 2 339.342 2.819 10 5 EFBELO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000428717725 477967411 /nfs/dbraw/zinc/96/74/11/477967411.db2.gz DBMWBMXGDFIHHQ-DOMZBBRYSA-N 1 2 339.342 2.819 10 5 EFBELO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000428717725 477967425 /nfs/dbraw/zinc/96/74/25/477967425.db2.gz DBMWBMXGDFIHHQ-DOMZBBRYSA-N 1 2 339.342 2.819 10 5 EFBELO Cn1ccnc1[C@H]([NH2+]CCOC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000560546537 478109002 /nfs/dbraw/zinc/10/90/02/478109002.db2.gz VBPUVXJPSOJOHF-OAHLLOKOSA-N 1 2 332.404 2.822 10 5 EFBELO C[C@@H]1CCC[C@@H](NC(=O)C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)[C@@H]1C ZINC000534514311 478155427 /nfs/dbraw/zinc/15/54/27/478155427.db2.gz BYQPLVSXEXBCIG-CKEIUWERSA-N 1 2 345.443 2.894 10 5 EFBELO C[C@@H]1CCC[C@@H](NC(=O)C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)[C@@H]1C ZINC000534514311 478155431 /nfs/dbraw/zinc/15/54/31/478155431.db2.gz BYQPLVSXEXBCIG-CKEIUWERSA-N 1 2 345.443 2.894 10 5 EFBELO O=[N+]([O-])c1cc2c(cc1C[NH+]1CC(Cc3ccco3)C1)OCCO2 ZINC000600196663 478276213 /nfs/dbraw/zinc/27/62/13/478276213.db2.gz DRAMTJSEQKVSIF-UHFFFAOYSA-N 1 2 330.340 2.634 10 5 EFBELO Cn1cc(C[N@@H+]2CCO[C@@H](CCF)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000600204572 478281848 /nfs/dbraw/zinc/28/18/48/478281848.db2.gz LEUBZWPHOKKSGO-INIZCTEOSA-N 1 2 348.378 2.556 10 5 EFBELO Cn1cc(C[N@H+]2CCO[C@@H](CCF)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000600204572 478281856 /nfs/dbraw/zinc/28/18/56/478281856.db2.gz LEUBZWPHOKKSGO-INIZCTEOSA-N 1 2 348.378 2.556 10 5 EFBELO CC[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)c1cccc([N+](=O)[O-])c1 ZINC000597351191 478307159 /nfs/dbraw/zinc/30/71/59/478307159.db2.gz UBOYBZXSAZPHRA-KFWWJZLASA-N 1 2 328.372 2.699 10 5 EFBELO O=C([C@H]1CCc2[nH+]c[nH]c2C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000597421539 478343869 /nfs/dbraw/zinc/34/38/69/478343869.db2.gz QKFIDGNRWDCVFW-LBPRGKRZSA-N 1 2 340.383 2.614 10 5 EFBELO O=C([C@H]1CCc2[nH]c[nH+]c2C1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000597421539 478343877 /nfs/dbraw/zinc/34/38/77/478343877.db2.gz QKFIDGNRWDCVFW-LBPRGKRZSA-N 1 2 340.383 2.614 10 5 EFBELO O=C([C@H]1CCc2[nH+]c[nH]c2C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000597468410 478366109 /nfs/dbraw/zinc/36/61/09/478366109.db2.gz QHPYYUQJWZGOKJ-ZDUSSCGKSA-N 1 2 340.383 2.614 10 5 EFBELO O=C([C@H]1CCc2[nH]c[nH+]c2C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000597468410 478366114 /nfs/dbraw/zinc/36/61/14/478366114.db2.gz QHPYYUQJWZGOKJ-ZDUSSCGKSA-N 1 2 340.383 2.614 10 5 EFBELO COc1c(C)[nH+]cnc1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000594554412 478435292 /nfs/dbraw/zinc/43/52/92/478435292.db2.gz IQNHUCKCUSLYDY-UHFFFAOYSA-N 1 2 344.371 2.750 10 5 EFBELO C[C@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cscn1 ZINC000594710369 478507669 /nfs/dbraw/zinc/50/76/69/478507669.db2.gz IDIQRXSWDHWNBT-GWCFXTLKSA-N 1 2 332.385 2.507 10 5 EFBELO Cc1noc(C)c1CO[C@@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000563607886 478600876 /nfs/dbraw/zinc/60/08/76/478600876.db2.gz GXERABIFULMXQY-OAHLLOKOSA-N 1 2 347.371 2.696 10 5 EFBELO Cc1noc(C)c1CO[C@@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000563607886 478600881 /nfs/dbraw/zinc/60/08/81/478600881.db2.gz GXERABIFULMXQY-OAHLLOKOSA-N 1 2 347.371 2.696 10 5 EFBELO Cc1noc(C)c1CO[C@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000563607883 478601251 /nfs/dbraw/zinc/60/12/51/478601251.db2.gz GXERABIFULMXQY-HNNXBMFYSA-N 1 2 347.371 2.696 10 5 EFBELO Cc1noc(C)c1CO[C@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000563607883 478601257 /nfs/dbraw/zinc/60/12/57/478601257.db2.gz GXERABIFULMXQY-HNNXBMFYSA-N 1 2 347.371 2.696 10 5 EFBELO Cc1ccc2nc(C[NH2+][C@](C)(CO)c3cccc([N+](=O)[O-])c3)cn2c1 ZINC000601149360 478690351 /nfs/dbraw/zinc/69/03/51/478690351.db2.gz MBKVVHLHGJBYLE-GOSISDBHSA-N 1 2 340.383 2.548 10 5 EFBELO Cc1ccc2[nH+]c(CN[C@](C)(CO)c3cccc([N+](=O)[O-])c3)cn2c1 ZINC000601149360 478690360 /nfs/dbraw/zinc/69/03/60/478690360.db2.gz MBKVVHLHGJBYLE-GOSISDBHSA-N 1 2 340.383 2.548 10 5 EFBELO O=[N+]([O-])c1cc2c(nc1N1CCC[C@H](n3cc[nH+]c3)C1)CCCC2 ZINC000591907482 478694429 /nfs/dbraw/zinc/69/44/29/478694429.db2.gz CEZLURNZJNPUER-AWEZNQCLSA-N 1 2 327.388 2.907 10 5 EFBELO Cc1ccc[nH+]c1CCNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601171294 478703457 /nfs/dbraw/zinc/70/34/57/478703457.db2.gz LDXJSXPQCWNHLX-UHFFFAOYSA-N 1 2 329.282 2.705 10 5 EFBELO C[C@H]1C[C@@H](Nc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)c2[nH+]ccn21 ZINC000601171434 478704831 /nfs/dbraw/zinc/70/48/31/478704831.db2.gz LMWOWRSHASXUFI-NKWVEPMBSA-N 1 2 330.270 2.662 10 5 EFBELO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2cc(C3CC3)no2)CC1 ZINC000595291741 478717361 /nfs/dbraw/zinc/71/73/61/478717361.db2.gz RBLKCSBWBKRPKW-UHFFFAOYSA-N 1 2 328.372 2.782 10 5 EFBELO O=[N+]([O-])c1ccccc1C[N@@H+](Cc1ccon1)[C@H]1CC[C@H](O)CC1 ZINC000592130754 478787840 /nfs/dbraw/zinc/78/78/40/478787840.db2.gz MOXXRFDPKKNMMG-WKILWMFISA-N 1 2 331.372 2.889 10 5 EFBELO O=[N+]([O-])c1ccccc1C[N@H+](Cc1ccon1)[C@H]1CC[C@H](O)CC1 ZINC000592130754 478787851 /nfs/dbraw/zinc/78/78/51/478787851.db2.gz MOXXRFDPKKNMMG-WKILWMFISA-N 1 2 331.372 2.889 10 5 EFBELO Cc1ccc([C@H](C)NC(=O)N[C@@H](C)c2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000595544218 478845733 /nfs/dbraw/zinc/84/57/33/478845733.db2.gz NIEYVBJSDPPHGW-RYUDHWBXSA-N 1 2 331.376 2.758 10 5 EFBELO COC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)C1CCCCC1 ZINC000595667223 478924718 /nfs/dbraw/zinc/92/47/18/478924718.db2.gz DGJXFVKTQCEORO-UHFFFAOYSA-N 1 2 336.388 2.911 10 5 EFBELO COC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)C1CCCCC1 ZINC000595667223 478924725 /nfs/dbraw/zinc/92/47/25/478924725.db2.gz DGJXFVKTQCEORO-UHFFFAOYSA-N 1 2 336.388 2.911 10 5 EFBELO O=C(N[C@@H]1CCCC12CC2)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000601703944 478961093 /nfs/dbraw/zinc/96/10/93/478961093.db2.gz HGVDPHWUEZEWDA-OAHLLOKOSA-N 1 2 326.356 2.843 10 5 EFBELO C[C@H]1C[NH+](Cc2ccc(Br)cc2[N+](=O)[O-])C[C@H](C)C1O ZINC000595732301 478962227 /nfs/dbraw/zinc/96/22/27/478962227.db2.gz LOILRRTWCYDGSZ-UWVGGRQHSA-N 1 2 343.221 2.806 10 5 EFBELO C[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)CC(F)F ZINC000592673218 478991242 /nfs/dbraw/zinc/99/12/42/478991242.db2.gz SSIUGBHRPLMMJH-JTQLQIEISA-N 1 2 338.314 2.802 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(c2ccon2)CC1 ZINC000595827058 479020794 /nfs/dbraw/zinc/02/07/94/479020794.db2.gz ADEJCCPEHGKNCD-UHFFFAOYSA-N 1 2 344.371 2.709 10 5 EFBELO O=[N+]([O-])c1cccc(OCC[N@H+]2CCOc3ccc(O)cc3C2)c1 ZINC000595856017 479035455 /nfs/dbraw/zinc/03/54/55/479035455.db2.gz HWYRMZJVGIFHES-UHFFFAOYSA-N 1 2 330.340 2.574 10 5 EFBELO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCOc3ccc(O)cc3C2)c1 ZINC000595856017 479035459 /nfs/dbraw/zinc/03/54/59/479035459.db2.gz HWYRMZJVGIFHES-UHFFFAOYSA-N 1 2 330.340 2.574 10 5 EFBELO [NH3+]C[C@@H]1CCCc2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3O)cc21 ZINC000595950136 479080837 /nfs/dbraw/zinc/08/08/37/479080837.db2.gz AWPWECCKZWHHOS-ZDUSSCGKSA-N 1 2 341.367 2.931 10 5 EFBELO C[C@@H]([NH2+][C@@H]1c2ccccc2CN(C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000598932935 479089019 /nfs/dbraw/zinc/08/90/19/479089019.db2.gz KMROEQNSMBRNJU-SJKOYZFVSA-N 1 2 325.368 2.959 10 5 EFBELO CN1Cc2ccccc2[C@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1=O ZINC000598939486 479093021 /nfs/dbraw/zinc/09/30/21/479093021.db2.gz KDZMCGAKFZDCSP-AEFFLSMTSA-N 1 2 337.379 2.885 10 5 EFBELO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000598942934 479094158 /nfs/dbraw/zinc/09/41/58/479094158.db2.gz CTFYDQROWSEQOC-NSHDSACASA-N 1 2 346.412 2.647 10 5 EFBELO C[C@@H]1C(=O)Nc2ccccc2C[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000598949745 479098373 /nfs/dbraw/zinc/09/83/73/479098373.db2.gz NNFJPDHFJGMDFY-CYBMUJFWSA-N 1 2 341.367 2.816 10 5 EFBELO C[C@@H]1C(=O)Nc2ccccc2C[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000598949745 479098379 /nfs/dbraw/zinc/09/83/79/479098379.db2.gz NNFJPDHFJGMDFY-CYBMUJFWSA-N 1 2 341.367 2.816 10 5 EFBELO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCO[C@@H](C(F)F)CC3)nc2c1 ZINC000601975928 479105065 /nfs/dbraw/zinc/10/50/65/479105065.db2.gz NSMMZPFBXWMZSF-GFCCVEGCSA-N 1 2 327.287 2.592 10 5 EFBELO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCO[C@@H](C(F)F)CC3)nc2c1 ZINC000601975928 479105070 /nfs/dbraw/zinc/10/50/70/479105070.db2.gz NSMMZPFBXWMZSF-GFCCVEGCSA-N 1 2 327.287 2.592 10 5 EFBELO COC(=O)c1c(Cl)c(N[C@H](C)Cn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000596077806 479125087 /nfs/dbraw/zinc/12/50/87/479125087.db2.gz BSOQEEUZSWBUFX-SECBINFHSA-N 1 2 338.751 2.732 10 5 EFBELO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+]C(C)(C)c2nccs2)c1 ZINC000593018912 479127182 /nfs/dbraw/zinc/12/71/82/479127182.db2.gz MPYMRLVITHNKOQ-UHFFFAOYSA-N 1 2 335.385 2.863 10 5 EFBELO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1Cc2cccnc2C1 ZINC000515167131 479127801 /nfs/dbraw/zinc/12/78/01/479127801.db2.gz LJXSEDDOTXSFDK-UHFFFAOYSA-N 1 2 326.356 2.643 10 5 EFBELO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1Cc2cccnc2C1 ZINC000515167131 479127810 /nfs/dbraw/zinc/12/78/10/479127810.db2.gz LJXSEDDOTXSFDK-UHFFFAOYSA-N 1 2 326.356 2.643 10 5 EFBELO O=C(NC1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1)C1CC1 ZINC000599019556 479127978 /nfs/dbraw/zinc/12/79/78/479127978.db2.gz HAWACTLHCDQVIA-UHFFFAOYSA-N 1 2 340.383 2.638 10 5 EFBELO CS(=O)(=O)[C@H]1CCC[C@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599048321 479138722 /nfs/dbraw/zinc/13/87/22/479138722.db2.gz KJVFUPGKALTAFY-STQMWFEESA-N 1 2 349.412 2.911 10 5 EFBELO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCOC2(CCOCC2)C1 ZINC000599056212 479141307 /nfs/dbraw/zinc/14/13/07/479141307.db2.gz LWKCSHKNNVXZMD-UHFFFAOYSA-N 1 2 329.356 2.529 10 5 EFBELO O=C([C@H]1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1)N1CCCC1 ZINC000599073992 479150718 /nfs/dbraw/zinc/15/07/18/479150718.db2.gz PAHYKMBYGBITIG-AWEZNQCLSA-N 1 2 340.383 2.592 10 5 EFBELO CS(=O)(=O)C1(CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CCCC1 ZINC000599080637 479152180 /nfs/dbraw/zinc/15/21/80/479152180.db2.gz JDSXBIBRYMBYKH-UHFFFAOYSA-N 1 2 349.412 2.912 10 5 EFBELO CC(=O)N1CCC[C@H](CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599081894 479153586 /nfs/dbraw/zinc/15/35/86/479153586.db2.gz VYUOFROIEGHJIR-CYBMUJFWSA-N 1 2 328.372 2.813 10 5 EFBELO CC(=O)N1CCC[C@@H](CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599081896 479153762 /nfs/dbraw/zinc/15/37/62/479153762.db2.gz VYUOFROIEGHJIR-ZDUSSCGKSA-N 1 2 328.372 2.813 10 5 EFBELO Cn1ccnc1[C@H]([NH2+][C@H]1CO[C@@H](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000599085635 479155052 /nfs/dbraw/zinc/15/50/52/479155052.db2.gz UUJAFDOFQZELDM-DJIMGWMZSA-N 1 2 342.399 2.575 10 5 EFBELO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCO[C@@]2(CCSC2)C1 ZINC000599094316 479159168 /nfs/dbraw/zinc/15/91/68/479159168.db2.gz GWSBZIWIGWGDAX-INIZCTEOSA-N 1 2 331.397 2.855 10 5 EFBELO CS(=O)(=O)CC1(CCNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599098093 479161049 /nfs/dbraw/zinc/16/10/49/479161049.db2.gz BOPXGTSDSSRQFS-UHFFFAOYSA-N 1 2 349.412 2.770 10 5 EFBELO C[C@H]1CC[C@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CS1(=O)=O ZINC000599108961 479163692 /nfs/dbraw/zinc/16/36/92/479163692.db2.gz XECTXOBCDNQBOT-JQWIXIFHSA-N 1 2 335.385 2.521 10 5 EFBELO CC(C)NC(=O)[C@@H]1CCCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599111070 479165097 /nfs/dbraw/zinc/16/50/97/479165097.db2.gz JUEKGSMTJPHUOK-CQSZACIVSA-N 1 2 342.399 2.884 10 5 EFBELO Cc1cc(N[C@@]23C[C@@H]2COC3(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000599143439 479179229 /nfs/dbraw/zinc/17/92/29/479179229.db2.gz RBUHBKVGMIZLNJ-ACJLOTCBSA-N 1 2 340.383 2.762 10 5 EFBELO O=C(C[N@@H+]1CC[C@@]2(CC2(F)F)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000593115219 479181937 /nfs/dbraw/zinc/18/19/37/479181937.db2.gz ANRIQWJKBWTMHD-CYBMUJFWSA-N 1 2 345.733 2.918 10 5 EFBELO O=C(C[N@H+]1CC[C@@]2(CC2(F)F)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000593115219 479181939 /nfs/dbraw/zinc/18/19/39/479181939.db2.gz ANRIQWJKBWTMHD-CYBMUJFWSA-N 1 2 345.733 2.918 10 5 EFBELO Cc1cc(N[C@H]2CO[C@H](C3CC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000599181912 479198544 /nfs/dbraw/zinc/19/85/44/479198544.db2.gz VCUVNZGVHYUEJW-ZBFHGGJFSA-N 1 2 340.383 2.762 10 5 EFBELO Cc1cccc([N+](=O)[O-])c1NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000599183377 479199655 /nfs/dbraw/zinc/19/96/55/479199655.db2.gz LIUCMAOZLJUOJK-INIZCTEOSA-N 1 2 342.399 2.611 10 5 EFBELO Cc1cccc([N+](=O)[O-])c1NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000599183377 479199664 /nfs/dbraw/zinc/19/96/64/479199664.db2.gz LIUCMAOZLJUOJK-INIZCTEOSA-N 1 2 342.399 2.611 10 5 EFBELO Cc1ccc([N+](=O)[O-])c(NC[C@H]2C[N@H+](Cc3ccncc3)CCO2)c1 ZINC000599184015 479200098 /nfs/dbraw/zinc/20/00/98/479200098.db2.gz VTIZEYIWMFAXSA-INIZCTEOSA-N 1 2 342.399 2.611 10 5 EFBELO Cc1ccc([N+](=O)[O-])c(NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)c1 ZINC000599184015 479200104 /nfs/dbraw/zinc/20/01/04/479200104.db2.gz VTIZEYIWMFAXSA-INIZCTEOSA-N 1 2 342.399 2.611 10 5 EFBELO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3cc(CO)ccc3F)CC2)c1 ZINC000599265461 479227131 /nfs/dbraw/zinc/22/71/31/479227131.db2.gz VNEHGUFTUOKISM-UHFFFAOYSA-N 1 2 345.374 2.548 10 5 EFBELO COC(=O)c1ccc(C[N@H+](C)[C@H](C)c2ccccc2[N+](=O)[O-])nc1 ZINC000599443305 479300038 /nfs/dbraw/zinc/30/00/38/479300038.db2.gz MGYZNKOERJZBTE-GFCCVEGCSA-N 1 2 329.356 2.969 10 5 EFBELO COC(=O)c1ccc(C[N@@H+](C)[C@H](C)c2ccccc2[N+](=O)[O-])nc1 ZINC000599443305 479300042 /nfs/dbraw/zinc/30/00/42/479300042.db2.gz MGYZNKOERJZBTE-GFCCVEGCSA-N 1 2 329.356 2.969 10 5 EFBELO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CC2(C1)CC(F)(F)C2 ZINC000611179373 479304385 /nfs/dbraw/zinc/30/43/85/479304385.db2.gz BYWZVMGPCNUHCB-JTQLQIEISA-N 1 2 325.315 2.653 10 5 EFBELO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](C(F)F)C2)c([N+](=O)[O-])c1 ZINC000611179952 479304459 /nfs/dbraw/zinc/30/44/59/479304459.db2.gz OICUMVFZVVNTBT-ZJUUUORDSA-N 1 2 343.330 2.517 10 5 EFBELO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](C(F)F)C2)c([N+](=O)[O-])c1 ZINC000611179952 479304464 /nfs/dbraw/zinc/30/44/64/479304464.db2.gz OICUMVFZVVNTBT-ZJUUUORDSA-N 1 2 343.330 2.517 10 5 EFBELO O=C(C[N@@H+]1CC[C@H](C(F)F)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000611179438 479304505 /nfs/dbraw/zinc/30/45/05/479304505.db2.gz CLKBSSKDWRPKNL-QMMMGPOBSA-N 1 2 333.722 2.774 10 5 EFBELO O=C(C[N@H+]1CC[C@H](C(F)F)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000611179438 479304510 /nfs/dbraw/zinc/30/45/10/479304510.db2.gz CLKBSSKDWRPKNL-QMMMGPOBSA-N 1 2 333.722 2.774 10 5 EFBELO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CC2(C1)CC(F)(F)C2 ZINC000611180680 479304825 /nfs/dbraw/zinc/30/48/25/479304825.db2.gz OWDFSZOFTYYEFR-SNVBAGLBSA-N 1 2 325.315 2.653 10 5 EFBELO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](C(F)F)C1 ZINC000611180303 479305189 /nfs/dbraw/zinc/30/51/89/479305189.db2.gz WQANRGBNHNOJGB-ZJUUUORDSA-N 1 2 343.330 2.517 10 5 EFBELO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CC[C@H](C(F)F)C1 ZINC000611180303 479305193 /nfs/dbraw/zinc/30/51/93/479305193.db2.gz WQANRGBNHNOJGB-ZJUUUORDSA-N 1 2 343.330 2.517 10 5 EFBELO C[C@H]1CC[C@H](Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CS1(=O)=O ZINC000596466624 479307152 /nfs/dbraw/zinc/30/71/52/479307152.db2.gz SVIOEASABASECL-JQWIXIFHSA-N 1 2 335.385 2.521 10 5 EFBELO C[C@@H]1CCC[C@H](CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])O1 ZINC000596475143 479310726 /nfs/dbraw/zinc/31/07/26/479310726.db2.gz RQDWJEGTNHMIPH-GDBMZVCRSA-N 1 2 349.431 2.797 10 5 EFBELO C[C@H]1CCC[C@@H](CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])O1 ZINC000596475145 479310848 /nfs/dbraw/zinc/31/08/48/479310848.db2.gz RQDWJEGTNHMIPH-HOCLYGCPSA-N 1 2 349.431 2.797 10 5 EFBELO C[C@]1(CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC1(F)F ZINC000596479953 479311171 /nfs/dbraw/zinc/31/11/71/479311171.db2.gz XRZPQMCNUJQOAD-OAHLLOKOSA-N 1 2 341.358 2.884 10 5 EFBELO C[C@@]1(CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC1(F)F ZINC000596479951 479311694 /nfs/dbraw/zinc/31/16/94/479311694.db2.gz XRZPQMCNUJQOAD-HNNXBMFYSA-N 1 2 341.358 2.884 10 5 EFBELO O=C(C[NH+]1CCC(c2cccnc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000611258540 479326793 /nfs/dbraw/zinc/32/67/93/479326793.db2.gz XDOPCBIJDPSXJV-UHFFFAOYSA-N 1 2 340.383 2.808 10 5 EFBELO Cc1cc(N2CC[C@H]3COC[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000596528165 479329293 /nfs/dbraw/zinc/32/92/93/479329293.db2.gz MESVWVSZIQTXTH-GJZGRUSLSA-N 1 2 340.383 2.833 10 5 EFBELO CC(C)Oc1cc[nH+]c(Cn2cc(Br)c([N+](=O)[O-])n2)c1 ZINC000593424319 479335280 /nfs/dbraw/zinc/33/52/80/479335280.db2.gz YYQFLKQZBDDSOA-UHFFFAOYSA-N 1 2 341.165 2.784 10 5 EFBELO CC[C@@H](NC(=O)[C@@H]1CCn2cc(C)[nH+]c2C1)c1cccc([N+](=O)[O-])c1 ZINC000599634907 479361834 /nfs/dbraw/zinc/36/18/34/479361834.db2.gz MPQGBKLMYOSLKO-GDBMZVCRSA-N 1 2 342.399 2.930 10 5 EFBELO CC[C@H](NC(=O)[C@@H]1CCn2cc(C)[nH+]c2C1)c1cccc([N+](=O)[O-])c1 ZINC000599635089 479362250 /nfs/dbraw/zinc/36/22/50/479362250.db2.gz MPQGBKLMYOSLKO-ZBFHGGJFSA-N 1 2 342.399 2.930 10 5 EFBELO CC[N@H+](CCCNc1cc(N)c([N+](=O)[O-])c(CO)c1)c1ccccc1 ZINC000587036349 479369510 /nfs/dbraw/zinc/36/95/10/479369510.db2.gz WQGYOQXGJXNJEP-UHFFFAOYSA-N 1 2 344.415 2.998 10 5 EFBELO CC[N@@H+](CCCNc1cc(N)c([N+](=O)[O-])c(CO)c1)c1ccccc1 ZINC000587036349 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2.997 10 5 EFBELO O=C(NCCC1(F)CCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000360211289 546124383 /nfs/dbraw/zinc/12/43/83/546124383.db2.gz CFTXQIFYEWLLRV-UHFFFAOYSA-N 1 2 332.335 2.793 10 5 EFBELO O=C(NC[C@@H]1CCC[C@@H]2C[C@@H]21)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000598209292 546385228 /nfs/dbraw/zinc/38/52/28/546385228.db2.gz SAYPZLDPVLWYNF-SNPRPXQTSA-N 1 2 340.383 2.947 10 5 EFBELO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCCCCn1cc[nH+]c1 ZINC000755319205 575573605 /nfs/dbraw/zinc/57/36/05/575573605.db2.gz SLGSSOHVDXNTAW-OWBHPGMISA-N 1 2 328.372 2.791 10 5 EFBELO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCCCCn1cc[nH+]c1 ZINC000755319208 575573641 /nfs/dbraw/zinc/57/36/41/575573641.db2.gz SLGSSOHVDXNTAW-WYMLVPIESA-N 1 2 328.372 2.791 10 5 EFBELO Cc1ncc([N+](=O)[O-])cc1-c1nc(-c2ccc(-n3cc[nH+]c3)nc2)no1 ZINC000761480486 576168584 /nfs/dbraw/zinc/16/85/84/576168584.db2.gz CORAYRUUICSWDS-UHFFFAOYSA-N 1 2 349.310 2.596 10 5 EFBELO CC(=O)c1c([N+](=O)[O-])cccc1N1CCN(c2cccc[nH+]2)CC1 ZINC000763207154 576367119 /nfs/dbraw/zinc/36/71/19/576367119.db2.gz SNVYBFBTEUUZJY-UHFFFAOYSA-N 1 2 326.356 2.519 10 5 EFBELO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000766123338 577111593 /nfs/dbraw/zinc/11/15/93/577111593.db2.gz ZMXPEQZJLWVFQH-VIFPVBQESA-N 1 2 345.277 2.735 10 5 EFBELO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000766123338 577111595 /nfs/dbraw/zinc/11/15/95/577111595.db2.gz ZMXPEQZJLWVFQH-VIFPVBQESA-N 1 2 345.277 2.735 10 5 EFBELO Cc1ccc(COC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)c(C)[nH+]1 ZINC000772080777 581279760 /nfs/dbraw/zinc/27/97/60/581279760.db2.gz IEFULJJMJUZFDC-UHFFFAOYSA-N 1 2 344.323 2.735 10 5 EFBELO Cc1ccc(COC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)c(C)[nH+]1 ZINC000772242679 581298636 /nfs/dbraw/zinc/29/86/36/581298636.db2.gz UJQVZIDMKXHPFP-UHFFFAOYSA-N 1 2 330.296 2.692 10 5 EFBELO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC[C@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000825124461 1278420920 /nfs/dbraw/zinc/42/09/20/1278420920.db2.gz QHNLFNFYDBLHNU-UFBFGSQYSA-N 1 2 338.713 2.993 10 5 EFBELO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000825124461 1278420922 /nfs/dbraw/zinc/42/09/22/1278420922.db2.gz QHNLFNFYDBLHNU-UFBFGSQYSA-N 1 2 338.713 2.993 10 5 EFBELO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC[C@@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000825124458 1278421415 /nfs/dbraw/zinc/42/14/15/1278421415.db2.gz QHNLFNFYDBLHNU-PELKAZGASA-N 1 2 338.713 2.993 10 5 EFBELO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000825124458 1278421420 /nfs/dbraw/zinc/42/14/20/1278421420.db2.gz QHNLFNFYDBLHNU-PELKAZGASA-N 1 2 338.713 2.993 10 5 EFBELO O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1C[N@@H+]1CCC2(C1)CCCCC2 ZINC000742166002 1269908792 /nfs/dbraw/zinc/90/87/92/1269908792.db2.gz JLHWJQOXGIKINE-UHFFFAOYSA-N 1 2 343.383 2.805 10 5 EFBELO O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1C[N@H+]1CCC2(C1)CCCCC2 ZINC000742166002 1269908799 /nfs/dbraw/zinc/90/87/99/1269908799.db2.gz JLHWJQOXGIKINE-UHFFFAOYSA-N 1 2 343.383 2.805 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844439610 1279008347 /nfs/dbraw/zinc/00/83/47/1279008347.db2.gz PDJMPFFQYPQJML-HNNXBMFYSA-N 1 2 339.342 2.963 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844439610 1279008357 /nfs/dbraw/zinc/00/83/57/1279008357.db2.gz PDJMPFFQYPQJML-HNNXBMFYSA-N 1 2 339.342 2.963 10 5 EFBELO C[C@@H]1CCN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000804547706 1280272653 /nfs/dbraw/zinc/27/26/53/1280272653.db2.gz ACDARCLNJKKXQA-RISCZKNCSA-N 1 2 331.332 2.787 10 5 EFBELO C[C@@H]([NH2+]C[C@@H](n1cncn1)C(F)(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872091824 1287426646 /nfs/dbraw/zinc/42/66/46/1287426646.db2.gz KJJVUCSFTYFUEG-LDYMZIIASA-N 1 2 347.272 2.780 10 5 EFBELO Cn1ccnc1[C@H]([NH2+]C[C@H]1CC(C)(C)CO1)c1ccc([N+](=O)[O-])cc1 ZINC000872106475 1287430197 /nfs/dbraw/zinc/43/01/97/1287430197.db2.gz QVAWLKNQLIMUKR-HZPDHXFCSA-N 1 2 344.415 2.822 10 5 EFBELO CCOc1cc(C[N@@H+]2CCN(C)c3ncccc3C2)ccc1[N+](=O)[O-] ZINC000872318862 1287538170 /nfs/dbraw/zinc/53/81/70/1287538170.db2.gz AXJRKRDAQQFLJQ-UHFFFAOYSA-N 1 2 342.399 2.841 10 5 EFBELO CCOc1cc(C[N@H+]2CCN(C)c3ncccc3C2)ccc1[N+](=O)[O-] ZINC000872318862 1287538176 /nfs/dbraw/zinc/53/81/76/1287538176.db2.gz AXJRKRDAQQFLJQ-UHFFFAOYSA-N 1 2 342.399 2.841 10 5 EFBELO C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC001132621195 1284021305 /nfs/dbraw/zinc/02/13/05/1284021305.db2.gz DBEMHWMQEMQMDP-MRXNPFEDSA-N 1 2 347.321 2.790 10 5 EFBELO C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC001132621195 1284021316 /nfs/dbraw/zinc/02/13/16/1284021316.db2.gz DBEMHWMQEMQMDP-MRXNPFEDSA-N 1 2 347.321 2.790 10 5 EFBELO O=C(CCc1cc(F)ccc1[N+](=O)[O-])NCc1[nH]c2c([nH+]1)CCCC2 ZINC001178928799 1288970099 /nfs/dbraw/zinc/97/00/99/1288970099.db2.gz LEXUDTZNVNYLGU-UHFFFAOYSA-N 1 2 346.362 2.585 10 5 EFBELO Cn1c2cc(C[N@@H+]3CCc4c(cccc4[N+](=O)[O-])C3)ccc2oc1=O ZINC000876739114 1290997176 /nfs/dbraw/zinc/99/71/76/1290997176.db2.gz FMNLABWEXTUCQK-UHFFFAOYSA-N 1 2 339.351 2.598 10 5 EFBELO Cn1c2cc(C[N@H+]3CCc4c(cccc4[N+](=O)[O-])C3)ccc2oc1=O ZINC000876739114 1290997183 /nfs/dbraw/zinc/99/71/83/1290997183.db2.gz FMNLABWEXTUCQK-UHFFFAOYSA-N 1 2 339.351 2.598 10 5 EFBELO Cc1cc(F)cc(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000126483048 1291216577 /nfs/dbraw/zinc/21/65/77/1291216577.db2.gz GTQZQIOWZPFZGC-NHYWBVRUSA-N 1 2 346.362 2.962 10 5 EFBELO CCC(=O)NC1CC[NH+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC001197787486 1294716423 /nfs/dbraw/zinc/71/64/23/1294716423.db2.gz WAHNFGSTWFFLAZ-UHFFFAOYSA-N 1 2 325.796 2.739 10 5 EFBELO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCc2cc(O)ccc2C1 ZINC001198830836 1295256391 /nfs/dbraw/zinc/25/63/91/1295256391.db2.gz XSUMIANYNCBIEP-LBPRGKRZSA-N 1 2 341.367 2.686 10 5 EFBELO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCc2cc(O)ccc2C1 ZINC001198830836 1295256399 /nfs/dbraw/zinc/25/63/99/1295256399.db2.gz XSUMIANYNCBIEP-LBPRGKRZSA-N 1 2 341.367 2.686 10 5 EFBELO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCc3ccc(F)c(F)c3C2)cc1 ZINC000776278479 1297350865 /nfs/dbraw/zinc/35/08/65/1297350865.db2.gz TYLDQDLMHDJIDV-INIZCTEOSA-N 1 2 334.322 2.965 10 5 EFBELO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCc3ccc(F)c(F)c3C2)cc1 ZINC000776278479 1297350877 /nfs/dbraw/zinc/35/08/77/1297350877.db2.gz TYLDQDLMHDJIDV-INIZCTEOSA-N 1 2 334.322 2.965 10 5 EFBELO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCO[C@@H](c3ccsc3)C2)cc1 ZINC000776585895 1299655501 /nfs/dbraw/zinc/65/55/01/1299655501.db2.gz CHSGNOVNGRWQPK-JKSUJKDBSA-N 1 2 334.397 2.763 10 5 EFBELO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCO[C@@H](c3ccsc3)C2)cc1 ZINC000776585895 1299655509 /nfs/dbraw/zinc/65/55/09/1299655509.db2.gz CHSGNOVNGRWQPK-JKSUJKDBSA-N 1 2 334.397 2.763 10 5 EFBELO Cc1nn(C[N@@H+]2CCO[C@@](C)(C3CC3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000853529063 1300150264 /nfs/dbraw/zinc/15/02/64/1300150264.db2.gz OPJMRIQCKDTLFX-QGZVFWFLSA-N 1 2 330.388 2.711 10 5 EFBELO Cc1nn(C[N@H+]2CCO[C@@](C)(C3CC3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000853529063 1300150267 /nfs/dbraw/zinc/15/02/67/1300150267.db2.gz OPJMRIQCKDTLFX-QGZVFWFLSA-N 1 2 330.388 2.711 10 5 EFBELO Cc1nn(C[N@H+]2CC3(CCCC3)OC[C@H]2C)c2ncc([N+](=O)[O-])cc12 ZINC000853576980 1300174667 /nfs/dbraw/zinc/17/46/67/1300174667.db2.gz HJFBVTKFSQRSTQ-GFCCVEGCSA-N 1 2 345.403 2.639 10 5 EFBELO Cc1nn(C[N@@H+]2CC3(CCCC3)OC[C@H]2C)c2ncc([N+](=O)[O-])cc12 ZINC000853576980 1300174674 /nfs/dbraw/zinc/17/46/74/1300174674.db2.gz HJFBVTKFSQRSTQ-GFCCVEGCSA-N 1 2 345.403 2.639 10 5 EFBELO Cc1nn(C[N@H+]2CC3(CCCC3)OC[C@@H]2C)c2ncc([N+](=O)[O-])cc12 ZINC000853576982 1300174919 /nfs/dbraw/zinc/17/49/19/1300174919.db2.gz HJFBVTKFSQRSTQ-LBPRGKRZSA-N 1 2 345.403 2.639 10 5 EFBELO Cc1nn(C[N@@H+]2CC3(CCCC3)OC[C@@H]2C)c2ncc([N+](=O)[O-])cc12 ZINC000853576982 1300174923 /nfs/dbraw/zinc/17/49/23/1300174923.db2.gz HJFBVTKFSQRSTQ-LBPRGKRZSA-N 1 2 345.403 2.639 10 5 EFBELO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000859884189 1301618556 /nfs/dbraw/zinc/61/85/56/1301618556.db2.gz HSZQXZDEUUUHLM-BHVCSQLQSA-N 1 2 328.821 2.734 10 5 EFBELO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000859884189 1301618565 /nfs/dbraw/zinc/61/85/65/1301618565.db2.gz HSZQXZDEUUUHLM-BHVCSQLQSA-N 1 2 328.821 2.734 10 5 EFBELO O=C(N[C@@H]1CCn2c[nH+]cc21)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000863973849 1302751404 /nfs/dbraw/zinc/75/14/04/1302751404.db2.gz SOHSMJFDTSHRJZ-QGZVFWFLSA-N 1 2 344.374 2.753 10 5 EFBELO Cc1ccc(C[N@@H+]2CCO[C@H](CNc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000866191004 1303556356 /nfs/dbraw/zinc/55/63/56/1303556356.db2.gz QRKSSRNXFQYNAZ-QGZVFWFLSA-N 1 2 342.399 2.611 10 5 EFBELO Cc1ccc(C[N@H+]2CCO[C@H](CNc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000866191004 1303556363 /nfs/dbraw/zinc/55/63/63/1303556363.db2.gz QRKSSRNXFQYNAZ-QGZVFWFLSA-N 1 2 342.399 2.611 10 5 EFBELO Nc1ccc(CCC(=O)OCc2cc(Cl)ccc2[N+](=O)[O-])c[nH+]1 ZINC000751456637 1311120105 /nfs/dbraw/zinc/12/01/05/1311120105.db2.gz UYJRQBMHADQNCJ-UHFFFAOYSA-N 1 2 335.747 2.901 10 5 EFBELO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)O[C@H]1CC[N@H+](CCF)C1 ZINC000802240041 1311496751 /nfs/dbraw/zinc/49/67/51/1311496751.db2.gz TWONABFUIMEHGD-ZBFHGGJFSA-N 1 2 338.379 2.751 10 5 EFBELO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)O[C@H]1CC[N@@H+](CCF)C1 ZINC000802240041 1311496754 /nfs/dbraw/zinc/49/67/54/1311496754.db2.gz TWONABFUIMEHGD-ZBFHGGJFSA-N 1 2 338.379 2.751 10 5 EFBELO CSc1ccc(C(=O)O[C@@H]2CC[N@H+](CCF)C2)cc1[N+](=O)[O-] ZINC000802240360 1311497888 /nfs/dbraw/zinc/49/78/88/1311497888.db2.gz XPUIHCNTCJMYQO-LLVKDONJSA-N 1 2 328.365 2.517 10 5 EFBELO CSc1ccc(C(=O)O[C@@H]2CC[N@@H+](CCF)C2)cc1[N+](=O)[O-] ZINC000802240360 1311497891 /nfs/dbraw/zinc/49/78/91/1311497891.db2.gz XPUIHCNTCJMYQO-LLVKDONJSA-N 1 2 328.365 2.517 10 5 EFBELO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cn1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001161012622 1311836167 /nfs/dbraw/zinc/83/61/67/1311836167.db2.gz FRNUCBQZKSNVNV-LBPRGKRZSA-N 1 2 337.339 2.667 10 5 EFBELO C/C(=C/C(=O)OCCCc1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000802784505 1312020070 /nfs/dbraw/zinc/02/00/70/1312020070.db2.gz COSXXRGBGPXSAC-SEYXRHQNSA-N 1 2 329.356 2.908 10 5 EFBELO O=[N+]([O-])c1cccc2c1ccnc2N1CCN(c2cccc[nH+]2)CC1 ZINC001161984608 1312021074 /nfs/dbraw/zinc/02/10/74/1312021074.db2.gz HLENRTMAAGOZKQ-UHFFFAOYSA-N 1 2 335.367 2.865 10 5 EFBELO CCNc1ccc(Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])c[nH+]1 ZINC001164393869 1312507332 /nfs/dbraw/zinc/50/73/32/1312507332.db2.gz MRBGVRJCBZDURW-UHFFFAOYSA-N 1 2 336.373 2.569 10 5 EFBELO CCNc1ccc(Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)c[nH+]1 ZINC001164393107 1312507487 /nfs/dbraw/zinc/50/74/87/1312507487.db2.gz FQRKSCZRBVQDTC-UHFFFAOYSA-N 1 2 336.373 2.569 10 5 EFBELO Cn1ccnc1[C@@H]([NH2+][C@@H]1CCO[C@H]1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000903259596 1312514470 /nfs/dbraw/zinc/51/44/70/1312514470.db2.gz IAFYJFQQVGEITG-IKGGRYGDSA-N 1 2 342.399 2.575 10 5 EFBELO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1c(F)cccc1[N+](=O)[O-] ZINC001264845789 1316672099 /nfs/dbraw/zinc/67/20/99/1316672099.db2.gz IAVATIKBNOXQTI-UHFFFAOYSA-N 1 2 340.314 2.850 10 5 EFBELO CC(C)(C)C(=O)NCC1=CC[N@H+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001279674968 1317355559 /nfs/dbraw/zinc/35/55/59/1317355559.db2.gz ACNONCNRHUHTEG-UHFFFAOYSA-N 1 2 337.445 2.951 10 5 EFBELO CC(C)(C)C(=O)NCC1=CC[N@@H+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001279674968 1317355569 /nfs/dbraw/zinc/35/55/69/1317355569.db2.gz ACNONCNRHUHTEG-UHFFFAOYSA-N 1 2 337.445 2.951 10 5 EFBELO CCc1[nH]c(CNC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)c[nH+]1 ZINC001303972796 1324629205 /nfs/dbraw/zinc/62/92/05/1324629205.db2.gz MAPKIHJTYNLWKX-JTQLQIEISA-N 1 2 334.401 2.677 10 5 EFBELO CCc1[nH]cc(CNC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC001303972796 1324629212 /nfs/dbraw/zinc/62/92/12/1324629212.db2.gz MAPKIHJTYNLWKX-JTQLQIEISA-N 1 2 334.401 2.677 10 5 EFBELO COc1ccc2ncc([N+](=O)[O-])c(N(C)Cc3ccc(N)[nH+]c3)c2c1 ZINC001307089238 1324741480 /nfs/dbraw/zinc/74/14/80/1324741480.db2.gz QETQBOHZZJAPCB-UHFFFAOYSA-N 1 2 339.355 2.765 10 5 EFBELO C[C@@](CO)([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001308000233 1324788580 /nfs/dbraw/zinc/78/85/80/1324788580.db2.gz SDCNCJBTRZOVPN-INIZCTEOSA-N 1 2 349.318 2.639 10 5 EFBELO CC(=O)c1cc(N2CCc3cc[nH+]c(N(C)C)c3C2)ccc1[N+](=O)[O-] ZINC001338235103 1331675819 /nfs/dbraw/zinc/67/58/19/1331675819.db2.gz FHAXRPXMDNFCMJ-UHFFFAOYSA-N 1 2 340.383 2.821 10 5 EFBELO O=[N+]([O-])c1cc(-c2nnc(Cc3ccccn3)o2)ccc1-n1cc[nH+]c1 ZINC001345960940 1332587801 /nfs/dbraw/zinc/58/78/01/1332587801.db2.gz QEQKIEZBXRTWTE-UHFFFAOYSA-N 1 2 348.322 2.816 10 5 EFBELO CC(C)(COC(=O)CCc1cc(F)ccc1[N+](=O)[O-])n1cc[nH+]c1 ZINC001346610293 1332661462 /nfs/dbraw/zinc/66/14/62/1332661462.db2.gz XUVSZJADQCIHOY-UHFFFAOYSA-N 1 2 335.335 2.842 10 5 EFBELO Cc1c(CC(=O)N2CCC(Cc3c[nH]c[nH+]3)CC2)cccc1[N+](=O)[O-] ZINC001348022733 1332793947 /nfs/dbraw/zinc/79/39/47/1332793947.db2.gz VHJFXEZEBXGCJR-UHFFFAOYSA-N 1 2 342.399 2.650 10 5 EFBELO O=C(c1cc([N+](=O)[O-])ccc1F)N1CCC(Cc2c[nH]c[nH+]2)CC1 ZINC001350827237 1333138523 /nfs/dbraw/zinc/13/85/23/1333138523.db2.gz OWFREXFWFQQASZ-UHFFFAOYSA-N 1 2 332.335 2.552 10 5 EFBELO O=C(N[C@H]1C[C@@H]2[C@H](C1)C2(F)F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001351054133 1333173239 /nfs/dbraw/zinc/17/32/39/1333173239.db2.gz QXGODZVVDSUUNH-ZSBIGDGJSA-N 1 2 348.309 2.554 10 5 EFBELO CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848754999 1334877133 /nfs/dbraw/zinc/87/71/33/1334877133.db2.gz WATFSEBFAGSSDZ-UPJWGTAASA-N 1 2 335.404 2.707 10 5 EFBELO CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848754999 1334877137 /nfs/dbraw/zinc/87/71/37/1334877137.db2.gz WATFSEBFAGSSDZ-UPJWGTAASA-N 1 2 335.404 2.707 10 5 EFBELO C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC001438578959 1388679173 /nfs/dbraw/zinc/67/91/73/1388679173.db2.gz WSMJWGKSCBVPEJ-HNNXBMFYSA-N 1 2 329.331 2.650 10 5 EFBELO C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC001438578959 1388679176 /nfs/dbraw/zinc/67/91/76/1388679176.db2.gz WSMJWGKSCBVPEJ-HNNXBMFYSA-N 1 2 329.331 2.650 10 5 EFBELO Cc1ccc(NC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)c(N(C)C)[nH+]1 ZINC001446629980 1391564869 /nfs/dbraw/zinc/56/48/69/1391564869.db2.gz NNQOHEDSVORZMH-UHFFFAOYSA-N 1 2 349.778 2.852 10 5 EFBELO CC(C)c1[nH]cc(CNC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC001456341123 1394671173 /nfs/dbraw/zinc/67/11/73/1394671173.db2.gz KUOGXFFSCJSDSO-HUUCEWRRSA-N 1 2 328.372 2.861 10 5 EFBELO CC(C)c1[nH]c(CNC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)c[nH+]1 ZINC001456341123 1394671179 /nfs/dbraw/zinc/67/11/79/1394671179.db2.gz KUOGXFFSCJSDSO-HUUCEWRRSA-N 1 2 328.372 2.861 10 5 EFBELO O=C(CSc1ccccc1[N+](=O)[O-])Nc1ccn2cc[nH+]c2c1 ZINC001460688802 1396242429 /nfs/dbraw/zinc/24/24/29/1396242429.db2.gz NBHKHNADPQIESI-UHFFFAOYSA-N 1 2 328.353 2.973 10 5 EFBELO CC(C)(C)[C@@H]1CSCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001460685182 1396242765 /nfs/dbraw/zinc/24/27/65/1396242765.db2.gz AQVVXJFJWFICTO-AWEZNQCLSA-N 1 2 337.445 2.997 10 5 EFBELO CC(C)(C)[C@@H]1CSCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001460685182 1396242769 /nfs/dbraw/zinc/24/27/69/1396242769.db2.gz AQVVXJFJWFICTO-AWEZNQCLSA-N 1 2 337.445 2.997 10 5 EFBELO O=C(NOCc1ccccc1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001463936733 1396532515 /nfs/dbraw/zinc/53/25/15/1396532515.db2.gz XCGONIPNHYJHSL-UHFFFAOYSA-N 1 2 338.323 2.642 10 5 EFBELO CC(C)C[C@@H](C(=O)NCCNc1ccc([N+](=O)[O-])cc1)n1cc[nH+]c1 ZINC001464097419 1396547225 /nfs/dbraw/zinc/54/72/25/1396547225.db2.gz CUYZLKRSVNDALL-INIZCTEOSA-N 1 2 345.403 2.607 10 5 EFBELO O=C(NCCCNc1cccc[nH+]1)c1cccc([N+](=O)[O-])c1Cl ZINC001465394948 1396676601 /nfs/dbraw/zinc/67/66/01/1396676601.db2.gz IGWQMROKSNOURS-UHFFFAOYSA-N 1 2 334.763 2.875 10 5 EFBELO CC(C)C[C@@H](C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21)n1cc[nH+]c1 ZINC001466635487 1396767985 /nfs/dbraw/zinc/76/79/85/1396767985.db2.gz JAAMWKQCXHYFLT-AWEZNQCLSA-N 1 2 342.359 2.894 10 5 EFBELO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001468236535 1396936445 /nfs/dbraw/zinc/93/64/45/1396936445.db2.gz ZHFIGCNEQHIUOG-VXGBXAGGSA-N 1 2 329.360 2.880 10 5 EFBELO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001468236535 1396936449 /nfs/dbraw/zinc/93/64/49/1396936449.db2.gz ZHFIGCNEQHIUOG-VXGBXAGGSA-N 1 2 329.360 2.880 10 5 EFBELO Cc1[nH]c([C@H]2CCCN2C(=O)Cc2cccc(F)c2[N+](=O)[O-])[nH+]c1C ZINC001471859552 1397215917 /nfs/dbraw/zinc/21/59/17/1397215917.db2.gz BOJUCWHLOGRXKJ-CQSZACIVSA-N 1 2 346.362 2.980 10 5 EFBELO Cc1[nH]c([C@@H]2CCCN2C(=O)Cc2ccc(F)cc2[N+](=O)[O-])[nH+]c1C ZINC001471859566 1397216228 /nfs/dbraw/zinc/21/62/28/1397216228.db2.gz BTIVNPYBXQCYFQ-AWEZNQCLSA-N 1 2 346.362 2.980 10 5 EFBELO Cc1cc(=O)n(Cc2c[nH+]c(N(C)C)c3ccccc23)cc1[N+](=O)[O-] ZINC001473005249 1397277238 /nfs/dbraw/zinc/27/72/38/1397277238.db2.gz JPFYECXQULOWHL-UHFFFAOYSA-N 1 2 338.367 2.727 10 5 EFBELO CCOC(=O)[C@@H](CC)[N@H+](CCOc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001473399565 1397300284 /nfs/dbraw/zinc/30/02/84/1397300284.db2.gz VMIWDOHSAYJXHY-MRXNPFEDSA-N 1 2 336.388 2.780 10 5 EFBELO CCOC(=O)[C@@H](CC)[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001473399565 1397300292 /nfs/dbraw/zinc/30/02/92/1397300292.db2.gz VMIWDOHSAYJXHY-MRXNPFEDSA-N 1 2 336.388 2.780 10 5 EFBELO Cc1cc(CNC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)cc(C)[nH+]1 ZINC001557078583 1415103671 /nfs/dbraw/zinc/10/36/71/1415103671.db2.gz DTOFJGUPMZLVJP-UHFFFAOYSA-N 1 2 334.763 2.772 10 5 EFBELO CC1(C)Cc2c(cnn2-c2ccccc2F)C[N@@H+](CC[N+](=O)[O-])C1 ZINC001560036170 1415260904 /nfs/dbraw/zinc/26/09/04/1415260904.db2.gz UFNDETHNLHYYAI-UHFFFAOYSA-N 1 2 332.379 2.672 10 5 EFBELO CC1(C)Cc2c(cnn2-c2ccccc2F)C[N@H+](CC[N+](=O)[O-])C1 ZINC001560036170 1415260910 /nfs/dbraw/zinc/26/09/10/1415260910.db2.gz UFNDETHNLHYYAI-UHFFFAOYSA-N 1 2 332.379 2.672 10 5 EFBELO COC(=O)/C=C\c1ccc(NC[C@H](C)Cn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000255564202 715954809 /nfs/dbraw/zinc/95/48/09/715954809.db2.gz LTVWPSRAPQUTBT-AGLBCWCQSA-N 1 2 344.371 2.726 10 5 EFBELO Cc1ncoc1C[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000895610809 724222618 /nfs/dbraw/zinc/22/26/18/724222618.db2.gz JMRHKBFMTRZDBL-UHFFFAOYSA-N 1 2 326.150 2.944 10 5 EFBELO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@](CO)(C(F)(F)F)C2)cc1Cl ZINC000895836550 724343331 /nfs/dbraw/zinc/34/33/31/724343331.db2.gz MJEAYGFQPARBPI-LBPRGKRZSA-N 1 2 338.713 2.995 10 5 EFBELO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@](CO)(C(F)(F)F)C2)cc1Cl ZINC000895836550 724343334 /nfs/dbraw/zinc/34/33/34/724343334.db2.gz MJEAYGFQPARBPI-LBPRGKRZSA-N 1 2 338.713 2.995 10 5 EFBELO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CCc2c[nH+]cn2C1 ZINC000908134931 727107612 /nfs/dbraw/zinc/10/76/12/727107612.db2.gz WVWHVLSXFPCFKS-LBPRGKRZSA-N 1 2 348.790 2.509 10 5 EFBELO Cn1c[nH+]cc1CCOC(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC000923965920 727746930 /nfs/dbraw/zinc/74/69/30/727746930.db2.gz AUBRFBYHYBKSHX-UHFFFAOYSA-N 1 2 337.763 2.700 10 5 EFBELO O=C(NCc1ccn2cc[nH+]c2c1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001650876377 1093503137 /nfs/dbraw/zinc/50/31/37/1093503137.db2.gz CCGXPDCRDAZGHZ-UHFFFAOYSA-N 1 2 330.731 2.826 10 5 EFBELO O=C(NCc1[nH]c2c([nH+]1)CCCC2)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001597585058 1094602818 /nfs/dbraw/zinc/60/28/18/1094602818.db2.gz MXQAWZHIKDJFCP-UHFFFAOYSA-N 1 2 334.763 2.780 10 5 EFBELO O=C(N[C@@H](Cn1cc[nH+]c1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC001598065514 1094652969 /nfs/dbraw/zinc/65/29/69/1094652969.db2.gz VRIBKKSDAUKANV-KRWDZBQOSA-N 1 2 336.351 2.963 10 5 EFBELO C[C@H]1COCC[N@@H+]1CCNc1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC001611950504 1099038870 /nfs/dbraw/zinc/03/88/70/1099038870.db2.gz OTWSVLQDDGCQCT-JTQLQIEISA-N 1 2 333.310 2.746 10 5 EFBELO C[C@H]1COCC[N@H+]1CCNc1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC001611950504 1099038880 /nfs/dbraw/zinc/03/88/80/1099038880.db2.gz OTWSVLQDDGCQCT-JTQLQIEISA-N 1 2 333.310 2.746 10 5 EFBELO CCc1cc(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)no1 ZINC001623807536 1099629637 /nfs/dbraw/zinc/62/96/37/1099629637.db2.gz JEYSQTYIPVUPSF-UHFFFAOYSA-N 1 2 327.300 2.583 10 5 EFBELO CC[C@@H](C[NH+]1CCOCC1)NC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC001635159715 1100646096 /nfs/dbraw/zinc/64/60/96/1100646096.db2.gz BRMHXTGUOPXBCA-HNNXBMFYSA-N 1 2 349.431 2.559 10 5 EFBELO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NCc1[nH]c(C)c(C)[nH+]1 ZINC001640434936 1101046044 /nfs/dbraw/zinc/04/60/44/1101046044.db2.gz OVFGTJYCNLFIHA-UHFFFAOYSA-N 1 2 338.751 2.987 10 5 EFBELO O=[N+]([O-])c1ccc(O)cc1CN1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1 ZINC001654387724 1101710798 /nfs/dbraw/zinc/71/07/98/1101710798.db2.gz KDQOGRCEJDROBG-IRXDYDNUSA-N 1 2 339.395 2.759 10 5 EFBELO O=[N+]([O-])c1ccc(O)cc1CN1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccc1 ZINC001654387724 1101710807 /nfs/dbraw/zinc/71/08/07/1101710807.db2.gz KDQOGRCEJDROBG-IRXDYDNUSA-N 1 2 339.395 2.759 10 5 EFBELO CC[N@H+](CCNC(=O)c1coc(C)c1)Cc1csc([N+](=O)[O-])c1 ZINC001266385701 1101804237 /nfs/dbraw/zinc/80/42/37/1101804237.db2.gz ITJHPLRUWAJYBH-UHFFFAOYSA-N 1 2 337.401 2.810 10 5 EFBELO CC[N@@H+](CCNC(=O)c1coc(C)c1)Cc1csc([N+](=O)[O-])c1 ZINC001266385701 1101804256 /nfs/dbraw/zinc/80/42/56/1101804256.db2.gz ITJHPLRUWAJYBH-UHFFFAOYSA-N 1 2 337.401 2.810 10 5 EFBELO O=[N+]([O-])c1cccc(C[NH+]2CCN(c3cc(Cl)ccn3)CC2)c1 ZINC001655640220 1101865279 /nfs/dbraw/zinc/86/52/79/1101865279.db2.gz YAASOVQEJRTDLB-UHFFFAOYSA-N 1 2 332.791 2.965 10 5 EFBELO O=C(C[N@@H+]1CC[C@@H]2[C@H](C1)C2(F)F)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001657864463 1102414451 /nfs/dbraw/zinc/41/44/51/1102414451.db2.gz DJTLLWHYCTZWEB-ZJUUUORDSA-N 1 2 345.733 2.774 10 5 EFBELO O=C(C[N@H+]1CC[C@@H]2[C@H](C1)C2(F)F)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001657864463 1102414456 /nfs/dbraw/zinc/41/44/56/1102414456.db2.gz DJTLLWHYCTZWEB-ZJUUUORDSA-N 1 2 345.733 2.774 10 5 EFBELO CC[N@H+](CCNC(=O)CC(F)(F)F)Cc1csc([N+](=O)[O-])c1 ZINC001663363979 1104073299 /nfs/dbraw/zinc/07/32/99/1104073299.db2.gz SDEOGPGMHDGKDS-UHFFFAOYSA-N 1 2 339.339 2.547 10 5 EFBELO CC[N@@H+](CCNC(=O)CC(F)(F)F)Cc1csc([N+](=O)[O-])c1 ZINC001663363979 1104073309 /nfs/dbraw/zinc/07/33/09/1104073309.db2.gz SDEOGPGMHDGKDS-UHFFFAOYSA-N 1 2 339.339 2.547 10 5 EFBELO Cc1cc(Cl)c(C(=O)N[C@@H]2CCC[N@H+](CCF)C2)cc1[N+](=O)[O-] ZINC000898505585 1108980903 /nfs/dbraw/zinc/98/09/03/1108980903.db2.gz ZCXQIFWLFYQLIC-LLVKDONJSA-N 1 2 343.786 2.720 10 5 EFBELO Cc1cc(Cl)c(C(=O)N[C@@H]2CCC[N@@H+](CCF)C2)cc1[N+](=O)[O-] ZINC000898505585 1108980911 /nfs/dbraw/zinc/98/09/11/1108980911.db2.gz ZCXQIFWLFYQLIC-LLVKDONJSA-N 1 2 343.786 2.720 10 5 EFBELO Cc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[N@H+](CCF)C2)cc1Cl ZINC000898502145 1108986071 /nfs/dbraw/zinc/98/60/71/1108986071.db2.gz AYLDPTLWOMSRKH-LLVKDONJSA-N 1 2 343.786 2.720 10 5 EFBELO Cc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[N@@H+](CCF)C2)cc1Cl ZINC000898502145 1108986076 /nfs/dbraw/zinc/98/60/76/1108986076.db2.gz AYLDPTLWOMSRKH-LLVKDONJSA-N 1 2 343.786 2.720 10 5 EFBELO CN1CC[C@@H]([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000339177114 283059314 /nfs/dbraw/zinc/05/93/14/283059314.db2.gz ZXBVGJGFVMPIIP-AEFFLSMTSA-N 1 2 327.384 2.835 10 5 EFBELO C[N@@H+]1CC[C@@H](NCc2cc(O)ccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000339177114 283059320 /nfs/dbraw/zinc/05/93/20/283059320.db2.gz ZXBVGJGFVMPIIP-AEFFLSMTSA-N 1 2 327.384 2.835 10 5 EFBELO C[N@H+]1CC[C@@H](NCc2cc(O)ccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000339177114 283059325 /nfs/dbraw/zinc/05/93/25/283059325.db2.gz ZXBVGJGFVMPIIP-AEFFLSMTSA-N 1 2 327.384 2.835 10 5 EFBELO CCOc1ccc(NC(=O)C[N@H+](C)Cc2ccc(C)o2)c([N+](=O)[O-])c1 ZINC000023819861 202109491 /nfs/dbraw/zinc/10/94/91/202109491.db2.gz QSBRNWOUBJABAR-UHFFFAOYSA-N 1 2 347.371 2.965 10 5 EFBELO CCOc1ccc(NC(=O)C[N@@H+](C)Cc2ccc(C)o2)c([N+](=O)[O-])c1 ZINC000023819861 202109492 /nfs/dbraw/zinc/10/94/92/202109492.db2.gz QSBRNWOUBJABAR-UHFFFAOYSA-N 1 2 347.371 2.965 10 5 EFBELO CCS(=O)(=O)C1CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000193228159 240068261 /nfs/dbraw/zinc/06/82/61/240068261.db2.gz CRTZXSHAUJDLQJ-GFCCVEGCSA-N 1 2 326.418 2.555 10 5 EFBELO O=[N+]([O-])c1ccc(C[NH+]2CCN(c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000193590491 240223220 /nfs/dbraw/zinc/22/32/20/240223220.db2.gz DSYOZCUTVVZTNY-UHFFFAOYSA-N 1 2 342.355 2.825 10 5 EFBELO O=[N+]([O-])c1ccc(Nc2cnn(Cc3cn4ccccc4[nH+]3)c2)nc1 ZINC000069442178 203001206 /nfs/dbraw/zinc/00/12/06/203001206.db2.gz NRNKHAXFDGZKNS-UHFFFAOYSA-N 1 2 335.327 2.626 10 5 EFBELO O=C([C@H]1CCCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-])N1CCCC1 ZINC000069464711 203006559 /nfs/dbraw/zinc/00/65/59/203006559.db2.gz JYQQPSQMCUHESJ-MRXNPFEDSA-N 1 2 335.379 2.711 10 5 EFBELO O=C([C@H]1CCCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-])N1CCCC1 ZINC000069464711 203006561 /nfs/dbraw/zinc/00/65/61/203006561.db2.gz JYQQPSQMCUHESJ-MRXNPFEDSA-N 1 2 335.379 2.711 10 5 EFBELO Cc1cc(N2CCC(CCO)CC2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000071882466 203135458 /nfs/dbraw/zinc/13/54/58/203135458.db2.gz QYFXXBFJOPQIDV-UHFFFAOYSA-N 1 2 342.399 2.959 10 5 EFBELO C[C@H](O)[C@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCO1 ZINC000414596940 244247771 /nfs/dbraw/zinc/24/77/71/244247771.db2.gz VRDGBGXNXMAZMZ-BLLLJJGKSA-N 1 2 348.424 2.905 10 5 EFBELO C[C@H](O)[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCO1 ZINC000414596940 244247779 /nfs/dbraw/zinc/24/77/79/244247779.db2.gz VRDGBGXNXMAZMZ-BLLLJJGKSA-N 1 2 348.424 2.905 10 5 EFBELO Cc1ncc(C[NH+]2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)s1 ZINC000105813742 204163402 /nfs/dbraw/zinc/16/34/02/204163402.db2.gz XZONHHLUBJMWBW-UHFFFAOYSA-N 1 2 332.429 2.678 10 5 EFBELO Cc1cnn(C[C@@H]2C[N@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CCO2)c1 ZINC000105892028 204176836 /nfs/dbraw/zinc/17/68/36/204176836.db2.gz CQWMEGBKWHPUCO-YOEHRIQHSA-N 1 2 330.388 2.562 10 5 EFBELO Cc1cnn(C[C@@H]2C[N@@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CCO2)c1 ZINC000105892028 204176839 /nfs/dbraw/zinc/17/68/39/204176839.db2.gz CQWMEGBKWHPUCO-YOEHRIQHSA-N 1 2 330.388 2.562 10 5 EFBELO CC[C@@H]([NH2+][C@@H]1CCCn2nc(COC)nc21)c1cccc([N+](=O)[O-])c1 ZINC000125326356 205004291 /nfs/dbraw/zinc/00/42/91/205004291.db2.gz UWIDZVPBFRAWKK-HUUCEWRRSA-N 1 2 345.403 2.909 10 5 EFBELO CC[C@@H](NC(=O)[C@H](C)[NH+]1CCSCC1)c1cccc([N+](=O)[O-])c1 ZINC000132623310 205334037 /nfs/dbraw/zinc/33/40/37/205334037.db2.gz GDCQFHWYQBBRNL-SWLSCSKDSA-N 1 2 337.445 2.599 10 5 EFBELO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000264931469 247056683 /nfs/dbraw/zinc/05/66/83/247056683.db2.gz PQCVMNRFQSFLSU-UHFFFAOYSA-N 1 2 334.763 2.991 10 5 EFBELO CCn1c(C)nnc1C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174244468 207002939 /nfs/dbraw/zinc/00/29/39/207002939.db2.gz YPWDQJBJZOJBKM-UHFFFAOYSA-N 1 2 345.403 2.558 10 5 EFBELO O=[N+]([O-])c1cc(C[N@@H+]2C[C@H](c3ccccc3)[C@](F)(CO)C2)cs1 ZINC000449432037 251023287 /nfs/dbraw/zinc/02/32/87/251023287.db2.gz ZWWZNXXEXYAFIH-GDBMZVCRSA-N 1 2 336.388 2.956 10 5 EFBELO O=[N+]([O-])c1cc(C[N@H+]2C[C@H](c3ccccc3)[C@](F)(CO)C2)cs1 ZINC000449432037 251023291 /nfs/dbraw/zinc/02/32/91/251023291.db2.gz ZWWZNXXEXYAFIH-GDBMZVCRSA-N 1 2 336.388 2.956 10 5 EFBELO C[C@@H](NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)c1cccc([N+](=O)[O-])c1 ZINC000177424188 207334191 /nfs/dbraw/zinc/33/41/91/207334191.db2.gz DUGDVAJNMKCDOZ-CZUORRHYSA-N 1 2 343.387 2.727 10 5 EFBELO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177763687 207393020 /nfs/dbraw/zinc/39/30/20/207393020.db2.gz KUPBEHCALLVWAD-CQSZACIVSA-N 1 2 348.790 2.678 10 5 EFBELO CO[C@H]1C[C@H](c2nc(C)no2)[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000190160380 533302324 /nfs/dbraw/zinc/30/23/24/533302324.db2.gz VWKJKYKHCHWZMM-LSDHHAIUSA-N 1 2 332.360 2.557 10 5 EFBELO CO[C@H]1C[C@H](c2nc(C)no2)[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000190160380 533302326 /nfs/dbraw/zinc/30/23/26/533302326.db2.gz VWKJKYKHCHWZMM-LSDHHAIUSA-N 1 2 332.360 2.557 10 5 EFBELO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCO[C@@H](C(=O)C2CC2)C1 ZINC000356308204 533382463 /nfs/dbraw/zinc/38/24/63/533382463.db2.gz SOUZXIMBFIPQBO-HOFZKYPUSA-N 1 2 330.384 2.678 10 5 EFBELO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCO[C@@H](C(=O)C2CC2)C1 ZINC000356308204 533382467 /nfs/dbraw/zinc/38/24/67/533382467.db2.gz SOUZXIMBFIPQBO-HOFZKYPUSA-N 1 2 330.384 2.678 10 5 EFBELO O=C(OCc1cccc([N+](=O)[O-])c1)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000051912824 132182637 /nfs/dbraw/zinc/18/26/37/132182637.db2.gz FFNMIMFBCKSLHZ-HNNXBMFYSA-N 1 2 341.367 2.950 10 5 EFBELO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000182757921 141375521 /nfs/dbraw/zinc/37/55/21/141375521.db2.gz MWAOUWDEFHBINE-ZBFHGGJFSA-N 1 2 330.388 2.562 10 5 EFBELO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000182757921 141375522 /nfs/dbraw/zinc/37/55/22/141375522.db2.gz MWAOUWDEFHBINE-ZBFHGGJFSA-N 1 2 330.388 2.562 10 5 EFBELO O=C(C[N@@H+]1CCC[C@@H](c2nccs2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000195355837 141379740 /nfs/dbraw/zinc/37/97/40/141379740.db2.gz AHCMIHLWMUHFMU-GFCCVEGCSA-N 1 2 346.412 2.869 10 5 EFBELO O=C(C[N@H+]1CCC[C@@H](c2nccs2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000195355837 141379742 /nfs/dbraw/zinc/37/97/42/141379742.db2.gz AHCMIHLWMUHFMU-GFCCVEGCSA-N 1 2 346.412 2.869 10 5 EFBELO Cc1csc([C@@H]2C[N@H+](CCOc3ccc([N+](=O)[O-])cc3)CCO2)n1 ZINC000195395108 141380609 /nfs/dbraw/zinc/38/06/09/141380609.db2.gz ZZGGPVJMCAHPHT-HNNXBMFYSA-N 1 2 349.412 2.812 10 5 EFBELO Cc1csc([C@@H]2C[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)CCO2)n1 ZINC000195395108 141380611 /nfs/dbraw/zinc/38/06/11/141380611.db2.gz ZZGGPVJMCAHPHT-HNNXBMFYSA-N 1 2 349.412 2.812 10 5 EFBELO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000346251635 142176642 /nfs/dbraw/zinc/17/66/42/142176642.db2.gz KMSVJXLSKMMJKH-LBPRGKRZSA-N 1 2 335.404 2.541 10 5 EFBELO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000346251635 142176643 /nfs/dbraw/zinc/17/66/43/142176643.db2.gz KMSVJXLSKMMJKH-LBPRGKRZSA-N 1 2 335.404 2.541 10 5 EFBELO CCOC(=O)[C@@H](CC)[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)C1CC1 ZINC000346419133 142201620 /nfs/dbraw/zinc/20/16/20/142201620.db2.gz PPBXSZWVBCOESO-CQSZACIVSA-N 1 2 336.388 2.910 10 5 EFBELO CCOC(=O)[C@@H](CC)[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)C1CC1 ZINC000346419133 142201622 /nfs/dbraw/zinc/20/16/22/142201622.db2.gz PPBXSZWVBCOESO-CQSZACIVSA-N 1 2 336.388 2.910 10 5 EFBELO Cc1ccccc1C[NH+]1CCN(Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000349586865 142339095 /nfs/dbraw/zinc/33/90/95/142339095.db2.gz YGUWWQGLWXYLBO-UHFFFAOYSA-N 1 2 341.411 2.927 10 5 EFBELO Cc1sc(C(=O)NCc2cn3ccc(C)cc3[nH+]2)cc1[N+](=O)[O-] ZINC000342271047 145091539 /nfs/dbraw/zinc/09/15/39/145091539.db2.gz JDOLKJYAYCBCBS-UHFFFAOYSA-N 1 2 330.369 2.851 10 5 EFBELO CN(C)c1[nH+]cccc1N(C)C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000342420551 145121456 /nfs/dbraw/zinc/12/14/56/145121456.db2.gz NODUZZKYIDXWEF-UHFFFAOYSA-N 1 2 346.412 2.811 10 5 EFBELO CC[C@@H](C)[NH2+][C@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])c1ccco1 ZINC000359556261 148121404 /nfs/dbraw/zinc/12/14/04/148121404.db2.gz LVCNWRHBYMNWFZ-BXUZGUMPSA-N 1 2 347.371 2.753 10 5 EFBELO COc1cc(N2CCN(c3c[nH+]ccc3C)CC2)ccc1[N+](=O)[O-] ZINC000359946480 148231582 /nfs/dbraw/zinc/23/15/82/148231582.db2.gz KGRQXBBLGNCMMR-UHFFFAOYSA-N 1 2 328.372 2.633 10 5 EFBELO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCO[C@@H](C4CC4)C3)co2)cc1 ZINC000363777027 149010734 /nfs/dbraw/zinc/01/07/34/149010734.db2.gz VGIDNGQILFHUJL-MRXNPFEDSA-N 1 2 329.356 2.861 10 5 EFBELO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCO[C@@H](C4CC4)C3)co2)cc1 ZINC000363777027 149010735 /nfs/dbraw/zinc/01/07/35/149010735.db2.gz VGIDNGQILFHUJL-MRXNPFEDSA-N 1 2 329.356 2.861 10 5 EFBELO C[C@H]1CCOCC[N@@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000367292797 149835276 /nfs/dbraw/zinc/83/52/76/149835276.db2.gz VMKYHHNGRXLEEN-JTQLQIEISA-N 1 2 329.194 2.968 10 5 EFBELO C[C@H]1CCOCC[N@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000367292797 149835277 /nfs/dbraw/zinc/83/52/77/149835277.db2.gz VMKYHHNGRXLEEN-JTQLQIEISA-N 1 2 329.194 2.968 10 5 EFBELO COc1ccc(C[NH2+][C@@H](C)c2nnc3n2CCCCC3)cc1[N+](=O)[O-] ZINC000369087804 150272643 /nfs/dbraw/zinc/27/26/43/150272643.db2.gz MYCUPIWQEJDLBZ-LBPRGKRZSA-N 1 2 345.403 2.772 10 5 EFBELO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H]3COC[C@H]32)ccc1Br ZINC000369216779 150302691 /nfs/dbraw/zinc/30/26/91/150302691.db2.gz XOLFDCZTJMOTFJ-SMDDNHRTSA-N 1 2 341.205 2.968 10 5 EFBELO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H]3COC[C@H]32)ccc1Br ZINC000369216779 150302694 /nfs/dbraw/zinc/30/26/94/150302694.db2.gz XOLFDCZTJMOTFJ-SMDDNHRTSA-N 1 2 341.205 2.968 10 5 EFBELO COc1cc(C[N@@H+]2CCC[C@H]2c2cnn(C)c2)c([N+](=O)[O-])cc1OC ZINC000131881993 286219060 /nfs/dbraw/zinc/21/90/60/286219060.db2.gz TWHMOJJBWOYZMQ-AWEZNQCLSA-N 1 2 346.387 2.683 10 5 EFBELO COc1cc(C[N@H+]2CCC[C@H]2c2cnn(C)c2)c([N+](=O)[O-])cc1OC ZINC000131881993 286219062 /nfs/dbraw/zinc/21/90/62/286219062.db2.gz TWHMOJJBWOYZMQ-AWEZNQCLSA-N 1 2 346.387 2.683 10 5 EFBELO Cc1c(CC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cccc1[N+](=O)[O-] ZINC000372469397 151012289 /nfs/dbraw/zinc/01/22/89/151012289.db2.gz WQMRXMMEKKJGSP-UHFFFAOYSA-N 1 2 328.372 2.575 10 5 EFBELO Cc1c(CC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cccc1[N+](=O)[O-] ZINC000372469397 151012292 /nfs/dbraw/zinc/01/22/92/151012292.db2.gz WQMRXMMEKKJGSP-UHFFFAOYSA-N 1 2 328.372 2.575 10 5 EFBELO Cc1cn2c(n1)C[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(C)C)CC2 ZINC000374647651 151388181 /nfs/dbraw/zinc/38/81/81/151388181.db2.gz OLWSWNMVVWKVLM-UHFFFAOYSA-N 1 2 330.388 2.903 10 5 EFBELO Cc1cn2c(n1)C[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(C)C)CC2 ZINC000374647651 151388183 /nfs/dbraw/zinc/38/81/83/151388183.db2.gz OLWSWNMVVWKVLM-UHFFFAOYSA-N 1 2 330.388 2.903 10 5 EFBELO Cc1cn2c([nH+]1)CN(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CC2 ZINC000378619626 152128483 /nfs/dbraw/zinc/12/84/83/152128483.db2.gz FZWNGFIFWZOVBQ-UHFFFAOYSA-N 1 2 335.751 2.801 10 5 EFBELO CCC1(CC)C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CC[S@]1=O ZINC000185254237 265039014 /nfs/dbraw/zinc/03/90/14/265039014.db2.gz AVVXOQZJCPXICF-HSZRJFAPSA-N 1 2 340.445 2.597 10 5 EFBELO CCC1(CC)C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CC[S@]1=O ZINC000185254237 265039015 /nfs/dbraw/zinc/03/90/15/265039015.db2.gz AVVXOQZJCPXICF-HSZRJFAPSA-N 1 2 340.445 2.597 10 5 EFBELO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000191674047 265272916 /nfs/dbraw/zinc/27/29/16/265272916.db2.gz JDCBCYCZDFXXNA-RIMOFGSCSA-N 1 2 330.384 2.882 10 5 EFBELO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000191674047 265272920 /nfs/dbraw/zinc/27/29/20/265272920.db2.gz JDCBCYCZDFXXNA-RIMOFGSCSA-N 1 2 330.384 2.882 10 5 EFBELO CCc1ccc(C(=O)NCc2[nH+]ccn2CC(C)C)cc1[N+](=O)[O-] ZINC000174285036 273027965 /nfs/dbraw/zinc/02/79/65/273027965.db2.gz SPQRUDWVXLFEAI-UHFFFAOYSA-N 1 2 330.388 2.940 10 5 EFBELO CN(C)c1[nH+]cccc1N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000176785662 273034042 /nfs/dbraw/zinc/03/40/42/273034042.db2.gz MRMZWFMTWVVEQG-UHFFFAOYSA-N 1 2 348.790 2.915 10 5 EFBELO Cc1ccc([C@H](CNC(=O)c2cccc(O)c2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000280776003 273365586 /nfs/dbraw/zinc/36/55/86/273365586.db2.gz MYLSFERNNPBDCW-HNNXBMFYSA-N 1 2 343.383 2.642 10 5 EFBELO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000280787500 273366765 /nfs/dbraw/zinc/36/67/65/273366765.db2.gz NYIHCMXFAWYQTF-LBPRGKRZSA-N 1 2 335.404 2.541 10 5 EFBELO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000280787500 273366766 /nfs/dbraw/zinc/36/67/66/273366766.db2.gz NYIHCMXFAWYQTF-LBPRGKRZSA-N 1 2 335.404 2.541 10 5 EFBELO CC(C)(C)C1=CC[N@H+](CCNC(=O)c2cccc(O)c2[N+](=O)[O-])CC1 ZINC000354894470 278299608 /nfs/dbraw/zinc/29/96/08/278299608.db2.gz XXBNDSNFPZMGNG-UHFFFAOYSA-N 1 2 347.415 2.708 10 5 EFBELO CC(C)(C)C1=CC[N@@H+](CCNC(=O)c2cccc(O)c2[N+](=O)[O-])CC1 ZINC000354894470 278299609 /nfs/dbraw/zinc/29/96/09/278299609.db2.gz XXBNDSNFPZMGNG-UHFFFAOYSA-N 1 2 347.415 2.708 10 5 EFBELO Cc1ncc(C[NH+]2CCN(c3ccc(C)cc3[N+](=O)[O-])CC2)s1 ZINC000156564857 279152249 /nfs/dbraw/zinc/15/22/49/279152249.db2.gz DBKSVWXMDLPCBR-UHFFFAOYSA-N 1 2 332.429 2.990 10 5 EFBELO C[C@@H](C1CC1)N(C(=O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)C1CC1 ZINC000153225119 293366879 /nfs/dbraw/zinc/36/68/79/293366879.db2.gz YDZYWPUARCNYLY-ZDUSSCGKSA-N 1 2 343.427 2.742 10 5 EFBELO C[C@@H](C1CC1)N(C(=O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)C1CC1 ZINC000153225119 293366881 /nfs/dbraw/zinc/36/68/81/293366881.db2.gz YDZYWPUARCNYLY-ZDUSSCGKSA-N 1 2 343.427 2.742 10 5 EFBELO C[C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153292169 293368928 /nfs/dbraw/zinc/36/89/28/293368928.db2.gz KYPDGGIHHWHLJG-CZUORRHYSA-N 1 2 331.416 2.648 10 5 EFBELO C[C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153292169 293368929 /nfs/dbraw/zinc/36/89/29/293368929.db2.gz KYPDGGIHHWHLJG-CZUORRHYSA-N 1 2 331.416 2.648 10 5 EFBELO O=C(C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)N1CCc2ccccc21 ZINC000153360453 293371850 /nfs/dbraw/zinc/37/18/50/293371850.db2.gz QNTNUUXLPNYRKJ-UHFFFAOYSA-N 1 2 337.379 2.542 10 5 EFBELO O=C(C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)N1CCc2ccccc21 ZINC000153360453 293371852 /nfs/dbraw/zinc/37/18/52/293371852.db2.gz QNTNUUXLPNYRKJ-UHFFFAOYSA-N 1 2 337.379 2.542 10 5 EFBELO C[C@H](C(=O)N1CCC(C)CC1)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153355028 293372236 /nfs/dbraw/zinc/37/22/36/293372236.db2.gz KFJSOYGFUZAVGJ-CQSZACIVSA-N 1 2 331.416 2.600 10 5 EFBELO C[C@H](C(=O)N1CCC(C)CC1)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153355028 293372239 /nfs/dbraw/zinc/37/22/39/293372239.db2.gz KFJSOYGFUZAVGJ-CQSZACIVSA-N 1 2 331.416 2.600 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CS(=O)(=O)c2ccccc21 ZINC000290305765 294052658 /nfs/dbraw/zinc/05/26/58/294052658.db2.gz BSXHSWOUHMZOBQ-OAHLLOKOSA-N 1 2 332.381 2.521 10 5 EFBELO CCOCc1nc([C@H](C)[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])no1 ZINC000290889503 294213128 /nfs/dbraw/zinc/21/31/28/294213128.db2.gz LFJHMSNDEFHAJM-WMADIVHISA-N 1 2 332.360 2.878 10 5 EFBELO Cn1ccnc1[C@H]([NH2+]C[C@H]1CCC(C)(C)O1)c1ccc([N+](=O)[O-])cc1 ZINC000353669787 294428105 /nfs/dbraw/zinc/42/81/05/294428105.db2.gz FFAKEXYPXBGRPK-HZPDHXFCSA-N 1 2 344.415 2.965 10 5 EFBELO CC[C@@H]([NH2+][C@@H](C)c1nc(N)nc(Cl)n1)c1cccc([N+](=O)[O-])c1 ZINC000294899487 295242847 /nfs/dbraw/zinc/24/28/47/295242847.db2.gz DSWZQZLNNWARKY-GZMMTYOYSA-N 1 2 336.783 2.817 10 5 EFBELO Cc1sc(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1[N+](=O)[O-] ZINC000298362996 310982042 /nfs/dbraw/zinc/98/20/42/310982042.db2.gz JUFSNQRATZCMNG-UHFFFAOYSA-N 1 2 346.412 2.890 10 5 EFBELO Cc1cc(NC[C@H](O)C(F)(F)F)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000299392258 311080230 /nfs/dbraw/zinc/08/02/30/311080230.db2.gz LCCNIILUZGFWEK-NSHDSACASA-N 1 2 342.277 2.695 10 5 EFBELO CC[C@H]1COCCN1c1cc(C)[nH+]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301326890 311131495 /nfs/dbraw/zinc/13/14/95/311131495.db2.gz ZMPRGFIDGPPRRU-AWEZNQCLSA-N 1 2 328.372 2.975 10 5 EFBELO O=[N+]([O-])c1ccc(N2CC[NH+](C3CC3)CC2)c(Br)c1 ZINC000301351806 311133176 /nfs/dbraw/zinc/13/31/76/311133176.db2.gz KIJLZLMWGDNPCL-UHFFFAOYSA-N 1 2 326.194 2.642 10 5 EFBELO O=[N+]([O-])c1cc(F)c(N2CCCC[C@H]2C[NH+]2CCOCC2)c(F)c1 ZINC000301761606 311156970 /nfs/dbraw/zinc/15/69/70/311156970.db2.gz BMICSLAXAYPJFU-LBPRGKRZSA-N 1 2 341.358 2.564 10 5 EFBELO COc1cc(NCCc2cn3ccccc3[nH+]2)c([N+](=O)[O-])cc1OC ZINC000301948213 311168239 /nfs/dbraw/zinc/16/82/39/311168239.db2.gz YKSNJIMQWJYAPP-UHFFFAOYSA-N 1 2 342.355 2.914 10 5 EFBELO C[C@@H](O)C[N@@H+]1CCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000302049032 311174737 /nfs/dbraw/zinc/17/47/37/311174737.db2.gz WMRZJLBWFGQVLX-VHSXEESVSA-N 1 2 348.230 2.793 10 5 EFBELO C[C@@H](O)C[N@H+]1CCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000302049032 311174739 /nfs/dbraw/zinc/17/47/39/311174739.db2.gz WMRZJLBWFGQVLX-VHSXEESVSA-N 1 2 348.230 2.793 10 5 EFBELO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000302833480 311203817 /nfs/dbraw/zinc/20/38/17/311203817.db2.gz SLTGHVBFMVTNGT-UHFFFAOYSA-N 1 2 347.806 2.982 10 5 EFBELO CC[C@H](NC(=O)N[C@H]1CCn2cc[nH+]c2C1)c1cccc([N+](=O)[O-])c1 ZINC000488643486 313501204 /nfs/dbraw/zinc/50/12/04/313501204.db2.gz KTEWXHRLBRZFTD-ZFWWWQNUSA-N 1 2 343.387 2.557 10 5 EFBELO O=C(Nc1ccccc1)C1([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000495168076 314676227 /nfs/dbraw/zinc/67/62/27/314676227.db2.gz PZHVLOURIQPEMT-UHFFFAOYSA-N 1 2 329.331 2.995 10 5 EFBELO CN(C(=O)c1ccc([N+](=O)[O-])cn1)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000548783027 318143371 /nfs/dbraw/zinc/14/33/71/318143371.db2.gz WAPFLZMWSBIUDY-HNNXBMFYSA-N 1 2 337.339 2.575 10 5 EFBELO C[C@@](O)(C1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1)C(F)(F)F ZINC000555427733 318356560 /nfs/dbraw/zinc/35/65/60/318356560.db2.gz KCDBVQZSRKJBIP-CQSZACIVSA-N 1 2 348.321 2.826 10 5 EFBELO CC1(C)C[NH+](CC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000563733806 318813069 /nfs/dbraw/zinc/81/30/69/318813069.db2.gz PNPNWPFBLALMDJ-UHFFFAOYSA-N 1 2 342.193 2.638 10 5 EFBELO CC(C)Oc1nc(N2CCC(c3c[nH]c[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000566807293 319112893 /nfs/dbraw/zinc/11/28/93/319112893.db2.gz LMVINIHWBFRBHP-UHFFFAOYSA-N 1 2 331.376 2.884 10 5 EFBELO CC(C)Oc1nc(N2CCC(c3c[nH+]c[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000566807293 319112896 /nfs/dbraw/zinc/11/28/96/319112896.db2.gz LMVINIHWBFRBHP-UHFFFAOYSA-N 1 2 331.376 2.884 10 5 EFBELO CNc1[nH+]cnc2c1cnn2Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000181835184 323252288 /nfs/dbraw/zinc/25/22/88/323252288.db2.gz SFHZYJORUVJSFS-UHFFFAOYSA-N 1 2 342.359 2.612 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1CN1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000183315061 323328577 /nfs/dbraw/zinc/32/85/77/323328577.db2.gz KMKXYYYVKZDRJM-UHFFFAOYSA-N 1 2 341.411 2.927 10 5 EFBELO Cc1csc([C@@H](C)[NH2+]CC(=O)Nc2cc([N+](=O)[O-])ccc2C)n1 ZINC000184201317 323358991 /nfs/dbraw/zinc/35/89/91/323358991.db2.gz NGKCKJIFCATZTR-LLVKDONJSA-N 1 2 334.401 2.957 10 5 EFBELO CC[C@@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1nccs1 ZINC000185057754 323382293 /nfs/dbraw/zinc/38/22/93/323382293.db2.gz WUEHICLCXLKEPU-CYBMUJFWSA-N 1 2 346.412 2.681 10 5 EFBELO CCn1cc[nH+]c1CNC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000296515193 323538165 /nfs/dbraw/zinc/53/81/65/323538165.db2.gz OVJFPNXDJHYPOZ-GFCCVEGCSA-N 1 2 331.376 2.680 10 5 EFBELO Cc1cc(NCCNC(=O)c2ccccc2[N+](=O)[O-])nc(C(C)C)[nH+]1 ZINC000600367265 468541507 /nfs/dbraw/zinc/54/15/07/468541507.db2.gz QYXKTANTWSNLAZ-UHFFFAOYSA-N 1 2 343.387 2.659 10 5 EFBELO CN(C)c1[nH+]cccc1NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000171200846 473319474 /nfs/dbraw/zinc/31/94/74/473319474.db2.gz WNIKIPXPYRVHIQ-UHFFFAOYSA-N 1 2 325.328 2.789 10 5 EFBELO CC1(C)SC[C@H]1Nc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000338423405 475889914 /nfs/dbraw/zinc/88/99/14/475889914.db2.gz NLDFCVFYVXOXSO-OAHLLOKOSA-N 1 2 337.445 2.733 10 5 EFBELO O=C(NCc1cn2cc(Cl)ccc2[nH+]1)c1ccc([N+](=O)[O-])s1 ZINC000066967329 471978654 /nfs/dbraw/zinc/97/86/54/471978654.db2.gz VJMDTXVRKLERRH-UHFFFAOYSA-N 1 2 336.760 2.887 10 5 EFBELO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000067018420 471983470 /nfs/dbraw/zinc/98/34/70/471983470.db2.gz FKNUKVXCQPSXOS-UHFFFAOYSA-N 1 2 339.395 2.861 10 5 EFBELO C[C@@H](O)CNc1[nH+]c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 ZINC000036799169 472005977 /nfs/dbraw/zinc/00/59/77/472005977.db2.gz VBAOXLFFYUPJPS-GFCCVEGCSA-N 1 2 326.356 2.786 10 5 EFBELO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000054187567 472065488 /nfs/dbraw/zinc/06/54/88/472065488.db2.gz WTBQWKMQGIZOHR-HNNXBMFYSA-N 1 2 326.400 2.869 10 5 EFBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(Cc2ccccn2)CC1 ZINC000054187567 472065497 /nfs/dbraw/zinc/06/54/97/472065497.db2.gz WTBQWKMQGIZOHR-HNNXBMFYSA-N 1 2 326.400 2.869 10 5 EFBELO Cc1sc(C(=O)NCC[NH+]2Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC000067743708 472082470 /nfs/dbraw/zinc/08/24/70/472082470.db2.gz CEJRAZYJPIJWRI-UHFFFAOYSA-N 1 2 331.397 2.710 10 5 EFBELO O=C(Cc1ccccc1[N+](=O)[O-])NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000041789661 472084446 /nfs/dbraw/zinc/08/44/46/472084446.db2.gz WHRWRWKFWIEDLJ-UHFFFAOYSA-N 1 2 344.758 2.755 10 5 EFBELO Cc1cc(C(=O)NCc2[nH+]ccn2CC(F)(F)F)ccc1[N+](=O)[O-] ZINC000075710598 472184886 /nfs/dbraw/zinc/18/48/86/472184886.db2.gz NEVHYQUAWCVXDE-UHFFFAOYSA-N 1 2 342.277 2.592 10 5 EFBELO O=C(Nc1cccc([N+](=O)[O-])c1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000045951087 472490393 /nfs/dbraw/zinc/49/03/93/472490393.db2.gz HAEOAYWJPSIASW-UHFFFAOYSA-N 1 2 341.371 2.780 10 5 EFBELO CCN(CC)c1ccc(Nc2ccc(C(N)=O)cc2[N+](=O)[O-])c[nH+]1 ZINC000058130623 472506744 /nfs/dbraw/zinc/50/67/44/472506744.db2.gz ALFABPWURJFTFS-UHFFFAOYSA-N 1 2 329.360 2.679 10 5 EFBELO C[C@H](c1cccnc1)[NH+]1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000118836866 472510317 /nfs/dbraw/zinc/51/03/17/472510317.db2.gz LMOLRPRCRKLQGM-CYBMUJFWSA-N 1 2 332.429 2.930 10 5 EFBELO CC(=O)c1ccc(NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000046479166 472562944 /nfs/dbraw/zinc/56/29/44/472562944.db2.gz CAZZSXZGMDMZLQ-RWMBFGLXSA-N 1 2 335.404 2.707 10 5 EFBELO CC(=O)c1ccc(NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000046479166 472562951 /nfs/dbraw/zinc/56/29/51/472562951.db2.gz CAZZSXZGMDMZLQ-RWMBFGLXSA-N 1 2 335.404 2.707 10 5 EFBELO COc1ccc([C@@H](Nc2ccc([N+](=O)[O-])nc2)c2[nH+]ccn2C)cc1 ZINC000073109548 472773373 /nfs/dbraw/zinc/77/33/73/472773373.db2.gz BGGSXSBNNAWOHH-MRXNPFEDSA-N 1 2 339.355 2.933 10 5 EFBELO COC(=O)[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000092643956 472949865 /nfs/dbraw/zinc/94/98/65/472949865.db2.gz IJVXSNAJHMMLQH-JTQLQIEISA-N 1 2 344.314 2.581 10 5 EFBELO COC(=O)[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000092643956 472949874 /nfs/dbraw/zinc/94/98/74/472949874.db2.gz IJVXSNAJHMMLQH-JTQLQIEISA-N 1 2 344.314 2.581 10 5 EFBELO CC(C)[C@@H](C)NC(=O)C1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000092754549 472979641 /nfs/dbraw/zinc/97/96/41/472979641.db2.gz YIYVUWUANUAHNN-CYBMUJFWSA-N 1 2 349.431 2.673 10 5 EFBELO Cc1cc(C)n(C[C@@H]2C[N@H+](Cc3ccc(C)c([N+](=O)[O-])c3)CCO2)n1 ZINC000122562420 473030907 /nfs/dbraw/zinc/03/09/07/473030907.db2.gz DKAAEWGFMNOBLB-KRWDZBQOSA-N 1 2 344.415 2.618 10 5 EFBELO Cc1cc(C)n(C[C@@H]2C[N@@H+](Cc3ccc(C)c([N+](=O)[O-])c3)CCO2)n1 ZINC000122562420 473030914 /nfs/dbraw/zinc/03/09/14/473030914.db2.gz DKAAEWGFMNOBLB-KRWDZBQOSA-N 1 2 344.415 2.618 10 5 EFBELO O=[N+]([O-])c1cnc(NCc2cccnc2-n2cc[nH+]c2)c(Cl)c1 ZINC000122613312 473038056 /nfs/dbraw/zinc/03/80/56/473038056.db2.gz XIKWSJQXCPEKSZ-UHFFFAOYSA-N 1 2 330.735 2.836 10 5 EFBELO O=[N+]([O-])c1c(NC2CCN(c3cccc[nH+]3)CC2)nc2sccn21 ZINC000052185171 473091847 /nfs/dbraw/zinc/09/18/47/473091847.db2.gz DTMYSXJQQJTBCY-UHFFFAOYSA-N 1 2 344.400 2.780 10 5 EFBELO C[C@H]1CN(c2ccc(CNc3ccc([N+](=O)[O-])cn3)c[nH+]2)C[C@H](C)O1 ZINC000052218887 473094795 /nfs/dbraw/zinc/09/47/95/473094795.db2.gz JBKDTNOHDTVETD-STQMWFEESA-N 1 2 343.387 2.611 10 5 EFBELO C[C@H]1CN(c2ccc(Nc3ccncc3[N+](=O)[O-])c[nH+]2)C[C@H](C)O1 ZINC000066809246 473156077 /nfs/dbraw/zinc/15/60/77/473156077.db2.gz FRYMYYOVNZJJIM-RYUDHWBXSA-N 1 2 329.360 2.742 10 5 EFBELO C[C@@H]1CN(c2ccc(CNc3ccncc3[N+](=O)[O-])c[nH+]2)C[C@@H](C)O1 ZINC000066809007 473156487 /nfs/dbraw/zinc/15/64/87/473156487.db2.gz XSYAEQVJKLAAAO-CHWSQXEVSA-N 1 2 343.387 2.611 10 5 EFBELO Cn1cc[nH+]c1C[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)c1ccccc1 ZINC000081317726 473183016 /nfs/dbraw/zinc/18/30/16/473183016.db2.gz VPIWVNWOVWLQPT-ZDUSSCGKSA-N 1 2 340.339 2.635 10 5 EFBELO O=C1C[C@H](c2ccccc2)[N@H+](Cc2c(F)cccc2[N+](=O)[O-])CCN1 ZINC000171631392 473425079 /nfs/dbraw/zinc/42/50/79/473425079.db2.gz MCGNNDCTXFSETJ-QGZVFWFLSA-N 1 2 343.358 2.797 10 5 EFBELO O=C1C[C@H](c2ccccc2)[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])CCN1 ZINC000171631392 473425084 /nfs/dbraw/zinc/42/50/84/473425084.db2.gz MCGNNDCTXFSETJ-QGZVFWFLSA-N 1 2 343.358 2.797 10 5 EFBELO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCc1ccc[nH+]c1N(C)C ZINC000191321058 473527310 /nfs/dbraw/zinc/52/73/10/473527310.db2.gz ZGNBMMVBDYMAGG-UHFFFAOYSA-N 1 2 343.387 2.994 10 5 EFBELO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCO[C@@H](c3cccc(O)c3)C2)c1 ZINC000126808771 473548450 /nfs/dbraw/zinc/54/84/50/473548450.db2.gz FGNIFVUZQZRFLG-GOSISDBHSA-N 1 2 344.367 2.753 10 5 EFBELO O=[N+]([O-])c1cccc(OCC[N@H+]2CCO[C@@H](c3cccc(O)c3)C2)c1 ZINC000126808771 473548456 /nfs/dbraw/zinc/54/84/56/473548456.db2.gz FGNIFVUZQZRFLG-GOSISDBHSA-N 1 2 344.367 2.753 10 5 EFBELO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@]1(C)C(N)=O ZINC000185935624 473552772 /nfs/dbraw/zinc/55/27/72/473552772.db2.gz DCWVVAXMUXPLMJ-QGZVFWFLSA-N 1 2 335.404 2.612 10 5 EFBELO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC[C@]1(C)C(N)=O ZINC000185935624 473552777 /nfs/dbraw/zinc/55/27/77/473552777.db2.gz DCWVVAXMUXPLMJ-QGZVFWFLSA-N 1 2 335.404 2.612 10 5 EFBELO C[C@]1(C(N)=O)CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000185973691 473563203 /nfs/dbraw/zinc/56/32/03/473563203.db2.gz SDUITYUFJSCMMR-CQSZACIVSA-N 1 2 345.321 2.844 10 5 EFBELO C[C@]1(C(N)=O)CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000185973691 473563208 /nfs/dbraw/zinc/56/32/08/473563208.db2.gz SDUITYUFJSCMMR-CQSZACIVSA-N 1 2 345.321 2.844 10 5 EFBELO Cc1c(C(=O)N2CCCN(c3cccc[nH+]3)CC2)cccc1[N+](=O)[O-] ZINC000186412133 473670772 /nfs/dbraw/zinc/67/07/72/473670772.db2.gz AWGAEWLNWDYBDE-UHFFFAOYSA-N 1 2 340.383 2.651 10 5 EFBELO Cc1ccc([N+](=O)[O-])c(C(=O)NC2CCN(c3cccc[nH+]3)CC2)c1 ZINC000172800265 473686593 /nfs/dbraw/zinc/68/65/93/473686593.db2.gz AEIVVVQYHHDOPG-UHFFFAOYSA-N 1 2 340.383 2.697 10 5 EFBELO C[C@@H]1CCN(c2ncnc3sc([N+](=O)[O-])cc32)C[C@@H]1n1cc[nH+]c1 ZINC000287720934 473743333 /nfs/dbraw/zinc/74/33/33/473743333.db2.gz FIJQLXBFAUAHJK-PWSUYJOCSA-N 1 2 344.400 2.884 10 5 EFBELO COc1cnccc1[C@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000187101550 473819254 /nfs/dbraw/zinc/81/92/54/473819254.db2.gz XLOHIAVQLIJFAF-JTQLQIEISA-N 1 2 328.328 2.990 10 5 EFBELO COc1ccc([N+](=O)[O-])cc1NC(=O)NCc1[nH+]ccn1CC(C)C ZINC000174123738 473989479 /nfs/dbraw/zinc/98/94/79/473989479.db2.gz OHIMNYNIPZLHFQ-UHFFFAOYSA-N 1 2 347.375 2.778 10 5 EFBELO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC[NH+](C2CC2)CC1 ZINC000195131389 474012303 /nfs/dbraw/zinc/01/23/03/474012303.db2.gz HCAUOEQUQSWAEJ-UHFFFAOYSA-N 1 2 331.397 2.730 10 5 EFBELO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCS[C@H]3COCC[C@H]32)c1 ZINC000247015916 474037471 /nfs/dbraw/zinc/03/74/71/474037471.db2.gz QDXRXILHKQNAJQ-KGLIPLIRSA-N 1 2 328.821 2.955 10 5 EFBELO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCS[C@H]3COCC[C@H]32)c1 ZINC000247015916 474037479 /nfs/dbraw/zinc/03/74/79/474037479.db2.gz QDXRXILHKQNAJQ-KGLIPLIRSA-N 1 2 328.821 2.955 10 5 EFBELO O=[N+]([O-])c1ccccc1N1CCN(c2cc[nH+]c(C3CC3)n2)CC1 ZINC000264627125 474066291 /nfs/dbraw/zinc/06/62/91/474066291.db2.gz JXVYSDHLENSOGT-UHFFFAOYSA-N 1 2 325.372 2.589 10 5 EFBELO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000289148268 474164291 /nfs/dbraw/zinc/16/42/91/474164291.db2.gz ZGJHQCLBSFCFHC-UHFFFAOYSA-N 1 2 342.351 2.977 10 5 EFBELO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000289148268 474164299 /nfs/dbraw/zinc/16/42/99/474164299.db2.gz ZGJHQCLBSFCFHC-UHFFFAOYSA-N 1 2 342.351 2.977 10 5 EFBELO O=C1C[C@]2(CC[N@@H+](Cc3cc(Cl)cc(Cl)c3[N+](=O)[O-])C2)CN1 ZINC000289360133 474237004 /nfs/dbraw/zinc/23/70/04/474237004.db2.gz IPKNPOVSYNKRHD-CQSZACIVSA-N 1 2 344.198 2.614 10 5 EFBELO O=C1C[C@]2(CC[N@H+](Cc3cc(Cl)cc(Cl)c3[N+](=O)[O-])C2)CN1 ZINC000289360133 474237011 /nfs/dbraw/zinc/23/70/11/474237011.db2.gz IPKNPOVSYNKRHD-CQSZACIVSA-N 1 2 344.198 2.614 10 5 EFBELO CCCCc1[nH]c2ccc(NC(=O)c3nn(C)cc3[N+](=O)[O-])cc2[nH+]1 ZINC000271075585 474396797 /nfs/dbraw/zinc/39/67/97/474396797.db2.gz ZLKGNCVXMCSLGV-UHFFFAOYSA-N 1 2 342.359 2.800 10 5 EFBELO CC(=O)N1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H](C)C1 ZINC000271206128 474440977 /nfs/dbraw/zinc/44/09/77/474440977.db2.gz WEZNZYVLPGZMNP-ZDUSSCGKSA-N 1 2 343.383 2.907 10 5 EFBELO CC(=O)N1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H](C)C1 ZINC000271206128 474440983 /nfs/dbraw/zinc/44/09/83/474440983.db2.gz WEZNZYVLPGZMNP-ZDUSSCGKSA-N 1 2 343.383 2.907 10 5 EFBELO CC(=O)N1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)[C@H](C)C1 ZINC000271209733 474442235 /nfs/dbraw/zinc/44/22/35/474442235.db2.gz XZQFHTLVGXBUFH-CYBMUJFWSA-N 1 2 343.383 2.907 10 5 EFBELO CC(=O)N1CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)[C@H](C)C1 ZINC000271209733 474442242 /nfs/dbraw/zinc/44/22/42/474442242.db2.gz XZQFHTLVGXBUFH-CYBMUJFWSA-N 1 2 343.383 2.907 10 5 EFBELO O=[N+]([O-])c1ccc(F)cc1C[NH+]1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000189667287 474459554 /nfs/dbraw/zinc/45/95/54/474459554.db2.gz KRFCMQNRFGUYRA-UHFFFAOYSA-N 1 2 345.378 2.657 10 5 EFBELO O=c1[nH]c(NCCCNc2cccc[nH+]2)nc2ccc([N+](=O)[O-])cc21 ZINC000239367345 474545182 /nfs/dbraw/zinc/54/51/82/474545182.db2.gz AIJODGIODNXSPZ-UHFFFAOYSA-N 1 2 340.343 2.553 10 5 EFBELO Cc1nc(CN(C)c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)no1 ZINC000272916530 474640740 /nfs/dbraw/zinc/64/07/40/474640740.db2.gz PIRMDHOUEMVZRC-UHFFFAOYSA-N 1 2 340.343 2.688 10 5 EFBELO C[C@@H](NC(=O)N1CCC[C@H](n2cc[nH+]c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000609139323 480117797 /nfs/dbraw/zinc/11/77/97/480117797.db2.gz BHWGBEFAHXKJMU-CJNGLKHVSA-N 1 2 343.387 2.899 10 5 EFBELO O=C(C[N@@H+]1CC[C@@H](CC(F)(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000278576350 474715353 /nfs/dbraw/zinc/71/53/53/474715353.db2.gz CJZBGUNSHMLZEF-JTQLQIEISA-N 1 2 331.294 2.808 10 5 EFBELO O=C(C[N@H+]1CC[C@@H](CC(F)(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000278576350 474715358 /nfs/dbraw/zinc/71/53/58/474715358.db2.gz CJZBGUNSHMLZEF-JTQLQIEISA-N 1 2 331.294 2.808 10 5 EFBELO COc1cc(C[NH+]2CC(C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000338951064 474770654 /nfs/dbraw/zinc/77/06/54/474770654.db2.gz FXCBCECBTMAVMF-UHFFFAOYSA-N 1 2 334.294 2.996 10 5 EFBELO COc1cc[nH+]cc1CNC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000293147112 474839662 /nfs/dbraw/zinc/83/96/62/474839662.db2.gz WPRCXBMRPFQQJZ-NSHDSACASA-N 1 2 330.344 2.559 10 5 EFBELO C[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccc(-n2cncn2)cc1 ZINC000339063807 474894178 /nfs/dbraw/zinc/89/41/78/474894178.db2.gz GJVFXAHTZLHFAG-GFCCVEGCSA-N 1 2 339.355 2.732 10 5 EFBELO C[S@@](=O)C[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccccc1 ZINC000339073463 474901951 /nfs/dbraw/zinc/90/19/51/474901951.db2.gz YZHLZIZPTGMYCY-NPMXOYFQSA-N 1 2 334.397 2.510 10 5 EFBELO CN(CCC[N@H+](C)Cc1ccco1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339202779 475036111 /nfs/dbraw/zinc/03/61/11/475036111.db2.gz ZVHSZHNJZZFYSK-UHFFFAOYSA-N 1 2 333.388 2.847 10 5 EFBELO CN(CCC[N@@H+](C)Cc1ccco1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339202779 475036119 /nfs/dbraw/zinc/03/61/19/475036119.db2.gz ZVHSZHNJZZFYSK-UHFFFAOYSA-N 1 2 333.388 2.847 10 5 EFBELO CC[NH+](CC)CCN(CC(C)C)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000339261464 475095519 /nfs/dbraw/zinc/09/55/19/475095519.db2.gz FDQAPGCTZOLMTD-UHFFFAOYSA-N 1 2 337.420 2.740 10 5 EFBELO Cc1sc(C(=O)N2CC(C)(C)[C@H]2c2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000296062418 475183816 /nfs/dbraw/zinc/18/38/16/475183816.db2.gz ZYQGMVLDZDVLMM-GFCCVEGCSA-N 1 2 334.401 2.922 10 5 EFBELO Cc1sc(C(=O)N2CC(C)(C)[C@@H]2c2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000296062422 475184059 /nfs/dbraw/zinc/18/40/59/475184059.db2.gz ZYQGMVLDZDVLMM-LBPRGKRZSA-N 1 2 334.401 2.922 10 5 EFBELO C[C@H](NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000296509405 475348740 /nfs/dbraw/zinc/34/87/40/475348740.db2.gz CGEIBJAFZJMUCX-LBPRGKRZSA-N 1 2 343.387 2.968 10 5 EFBELO CC(C)(C)C1=CC[N@H+](CCNC(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000354880091 475485757 /nfs/dbraw/zinc/48/57/57/475485757.db2.gz HZYZKJVZBOHUFT-UHFFFAOYSA-N 1 2 347.415 2.708 10 5 EFBELO CC(C)(C)C1=CC[N@@H+](CCNC(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000354880091 475485763 /nfs/dbraw/zinc/48/57/63/475485763.db2.gz HZYZKJVZBOHUFT-UHFFFAOYSA-N 1 2 347.415 2.708 10 5 EFBELO CCN(CC[NH+]1CCCCCC1)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000346351262 475587747 /nfs/dbraw/zinc/58/77/47/475587747.db2.gz UWSDAEUXRIBNPC-UHFFFAOYSA-N 1 2 335.404 2.639 10 5 EFBELO COc1cc(C[N@@H+]2CCN(CC(F)(F)F)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000352767881 475603274 /nfs/dbraw/zinc/60/32/74/475603274.db2.gz GYDUDURSZYKSBD-LLVKDONJSA-N 1 2 347.337 2.672 10 5 EFBELO COc1cc(C[N@H+]2CCN(CC(F)(F)F)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000352767881 475603279 /nfs/dbraw/zinc/60/32/79/475603279.db2.gz GYDUDURSZYKSBD-LLVKDONJSA-N 1 2 347.337 2.672 10 5 EFBELO COC(=O)c1cc(C(C)(C)[NH2+]Cc2ccc([N+](=O)[O-])cc2C)no1 ZINC000353254158 475807469 /nfs/dbraw/zinc/80/74/69/475807469.db2.gz VBRBLOFMWVXLMB-UHFFFAOYSA-N 1 2 333.344 2.703 10 5 EFBELO Cc1cc(Cl)ccc1C[NH+]1CCN(c2c([N+](=O)[O-])ncn2C)CC1 ZINC000343221466 475865200 /nfs/dbraw/zinc/86/52/00/475865200.db2.gz BPYYAMQJCBSTDX-UHFFFAOYSA-N 1 2 349.822 2.612 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000298273645 476042030 /nfs/dbraw/zinc/04/20/30/476042030.db2.gz NWVWLGRZZPJZRM-HIFRSBDPSA-N 1 2 339.342 2.819 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000298273645 476042038 /nfs/dbraw/zinc/04/20/38/476042038.db2.gz NWVWLGRZZPJZRM-HIFRSBDPSA-N 1 2 339.342 2.819 10 5 EFBELO Cc1cc(C(=O)NCc2[nH+]ccn2CC(F)(F)F)cc([N+](=O)[O-])c1 ZINC000340661711 476188003 /nfs/dbraw/zinc/18/80/03/476188003.db2.gz QBFISDCQRIMXBP-UHFFFAOYSA-N 1 2 342.277 2.592 10 5 EFBELO COCC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)Cc1ccccn1 ZINC000347248649 476202004 /nfs/dbraw/zinc/20/20/04/476202004.db2.gz AYDOFACWSIVDHZ-UHFFFAOYSA-N 1 2 331.372 2.647 10 5 EFBELO COCC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)Cc1ccccn1 ZINC000347248649 476202009 /nfs/dbraw/zinc/20/20/09/476202009.db2.gz AYDOFACWSIVDHZ-UHFFFAOYSA-N 1 2 331.372 2.647 10 5 EFBELO Cc1cnc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)nc1 ZINC000340694575 476212015 /nfs/dbraw/zinc/21/20/15/476212015.db2.gz HHOZHXXXMSDFCI-UHFFFAOYSA-N 1 2 328.372 2.737 10 5 EFBELO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ncc(C4CC4)o3)C2)nc1 ZINC000340696156 476214435 /nfs/dbraw/zinc/21/44/35/476214435.db2.gz LWKIFWLCFVFGAQ-GFCCVEGCSA-N 1 2 329.360 2.542 10 5 EFBELO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3ncc(C4CC4)o3)C2)nc1 ZINC000340696156 476214442 /nfs/dbraw/zinc/21/44/42/476214442.db2.gz LWKIFWLCFVFGAQ-GFCCVEGCSA-N 1 2 329.360 2.542 10 5 EFBELO CC(=O)N1CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H](C)C1 ZINC000353883437 476311517 /nfs/dbraw/zinc/31/15/17/476311517.db2.gz UCEVJWKDLYMDRY-ZDUSSCGKSA-N 1 2 343.383 2.907 10 5 EFBELO CC(=O)N1CC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H](C)C1 ZINC000353883437 476311522 /nfs/dbraw/zinc/31/15/22/476311522.db2.gz UCEVJWKDLYMDRY-ZDUSSCGKSA-N 1 2 343.383 2.907 10 5 EFBELO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000353936902 476330173 /nfs/dbraw/zinc/33/01/73/476330173.db2.gz DHEXCXXFIMVMSM-NSHDSACASA-N 1 2 329.360 2.559 10 5 EFBELO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000353936902 476330176 /nfs/dbraw/zinc/33/01/76/476330176.db2.gz DHEXCXXFIMVMSM-NSHDSACASA-N 1 2 329.360 2.559 10 5 EFBELO O=[N+]([O-])c1cccc(-c2noc(Cc3cn4c([nH+]3)CCCC4)n2)c1 ZINC000351414211 476447650 /nfs/dbraw/zinc/44/76/50/476447650.db2.gz YCRGAUWBMNYWGP-UHFFFAOYSA-N 1 2 325.328 2.768 10 5 EFBELO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000451913874 476722033 /nfs/dbraw/zinc/72/20/33/476722033.db2.gz TUCFJTJXPPKZHL-JOYOIKCWSA-N 1 2 338.713 2.993 10 5 EFBELO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000451913874 476722040 /nfs/dbraw/zinc/72/20/40/476722040.db2.gz TUCFJTJXPPKZHL-JOYOIKCWSA-N 1 2 338.713 2.993 10 5 EFBELO C[C@H](NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000365925865 476768026 /nfs/dbraw/zinc/76/80/26/476768026.db2.gz ZEAIPAUEQXZHDY-LBPRGKRZSA-N 1 2 343.387 2.968 10 5 EFBELO C[C@H](NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000365925865 476768035 /nfs/dbraw/zinc/76/80/35/476768035.db2.gz ZEAIPAUEQXZHDY-LBPRGKRZSA-N 1 2 343.387 2.968 10 5 EFBELO O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000370354801 476770091 /nfs/dbraw/zinc/77/00/91/476770091.db2.gz HFOAGZPSVVCEAY-UHFFFAOYSA-N 1 2 328.372 2.657 10 5 EFBELO O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000370354801 476770098 /nfs/dbraw/zinc/77/00/98/476770098.db2.gz HFOAGZPSVVCEAY-UHFFFAOYSA-N 1 2 328.372 2.657 10 5 EFBELO C[C@@H]1C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@H](C)[C@H](C)O1 ZINC000446063480 476815433 /nfs/dbraw/zinc/81/54/33/476815433.db2.gz VEIJNWZOXUCLNK-UTUOFQBUSA-N 1 2 332.360 2.643 10 5 EFBELO C[C@@H]1C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@H](C)[C@H](C)O1 ZINC000446063480 476815439 /nfs/dbraw/zinc/81/54/39/476815439.db2.gz VEIJNWZOXUCLNK-UTUOFQBUSA-N 1 2 332.360 2.643 10 5 EFBELO O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000408514112 476956442 /nfs/dbraw/zinc/95/64/42/476956442.db2.gz XJKWJGLBYVKZMD-UHFFFAOYSA-N 1 2 334.763 2.991 10 5 EFBELO O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000408514112 476956447 /nfs/dbraw/zinc/95/64/47/476956447.db2.gz XJKWJGLBYVKZMD-UHFFFAOYSA-N 1 2 334.763 2.991 10 5 EFBELO Cc1sc(C(=O)Nc2nc(C[NH+](C)C)cs2)cc1[N+](=O)[O-] ZINC000457290469 476959935 /nfs/dbraw/zinc/95/99/35/476959935.db2.gz MDRMEMJDRHWLOF-UHFFFAOYSA-N 1 2 326.403 2.735 10 5 EFBELO O=[N+]([O-])c1ccc2[nH]c(NCc3ccccc3-n3cc[nH+]c3)nc2c1 ZINC000447689264 477036466 /nfs/dbraw/zinc/03/64/66/477036466.db2.gz KSXCGOJLKLUJGR-UHFFFAOYSA-N 1 2 334.339 2.691 10 5 EFBELO Cc1cc(C)c(CNS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)c[nH+]1 ZINC000416494080 477187043 /nfs/dbraw/zinc/18/70/43/477187043.db2.gz HQWGIOHGSBGBCM-UHFFFAOYSA-N 1 2 349.412 2.702 10 5 EFBELO O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000411765383 477359726 /nfs/dbraw/zinc/35/97/26/477359726.db2.gz BQWGRLZAQDHPAE-JKSUJKDBSA-N 1 2 340.383 2.828 10 5 EFBELO CCn1cc[nH+]c1[C@@H](C)NC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000454765297 477367165 /nfs/dbraw/zinc/36/71/65/477367165.db2.gz QFOYLCPKUHLRIJ-NWDGAFQWSA-N 1 2 331.376 2.933 10 5 EFBELO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCO[C@H](C3CCCCC3)C2)c1 ZINC000371828621 477514677 /nfs/dbraw/zinc/51/46/77/477514677.db2.gz KMJKFXIRWOVIGG-ROUUACIJSA-N 1 2 334.416 2.909 10 5 EFBELO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCO[C@H](C3CCCCC3)C2)c1 ZINC000371828621 477514685 /nfs/dbraw/zinc/51/46/85/477514685.db2.gz KMJKFXIRWOVIGG-ROUUACIJSA-N 1 2 334.416 2.909 10 5 EFBELO C[C@@H](C(=O)N1CCC(c2c[nH+]c[nH]2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000371829899 477516634 /nfs/dbraw/zinc/51/66/34/477516634.db2.gz WPPDPPSIKFFWDQ-LLVKDONJSA-N 1 2 346.362 2.967 10 5 EFBELO C[C@@H](C(=O)N1CCC(c2c[nH]c[nH+]2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000371829899 477516640 /nfs/dbraw/zinc/51/66/40/477516640.db2.gz WPPDPPSIKFFWDQ-LLVKDONJSA-N 1 2 346.362 2.967 10 5 EFBELO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000376831430 477523728 /nfs/dbraw/zinc/52/37/28/477523728.db2.gz JEICBLLLLGPNDJ-HFBDAHEESA-N 1 2 340.383 2.748 10 5 EFBELO CCC(=O)N[C@@H]1CCCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413108399 477523791 /nfs/dbraw/zinc/52/37/91/477523791.db2.gz REBCEGKTEKSNSB-CYBMUJFWSA-N 1 2 328.372 2.638 10 5 EFBELO O=C(NC1CC[NH+](C2CCCCC2)CC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000367532838 477561626 /nfs/dbraw/zinc/56/16/26/477561626.db2.gz FGDRTIIKQDOQKR-UHFFFAOYSA-N 1 2 347.415 2.827 10 5 EFBELO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CC(CC(F)F)C1 ZINC000425080956 477633649 /nfs/dbraw/zinc/63/36/49/477633649.db2.gz CTMCINAQOWLOFE-UHFFFAOYSA-N 1 2 336.298 2.508 10 5 EFBELO C[C@@]1(F)CCCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000450567611 477637970 /nfs/dbraw/zinc/63/79/70/477637970.db2.gz ZATDLJPHUPIDMP-QGZVFWFLSA-N 1 2 337.395 2.755 10 5 EFBELO O=C1N=NC(C2CC[NH+](Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)O1 ZINC000450912881 477759251 /nfs/dbraw/zinc/75/92/51/477759251.db2.gz ICNNBTBLMPAMIK-UHFFFAOYSA-N 1 2 338.751 2.716 10 5 EFBELO CCOc1ccc(C(=O)N[C@H]2C[C@@H](C)n3cc[nH+]c32)cc1[N+](=O)[O-] ZINC000456379129 477898977 /nfs/dbraw/zinc/89/89/77/477898977.db2.gz LNJBQKQVYQZZHM-PWSUYJOCSA-N 1 2 330.344 2.626 10 5 EFBELO CC(C)(C)n1nnnc1C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451548429 478084915 /nfs/dbraw/zinc/08/49/15/478084915.db2.gz NBJHTFNNHQKNJK-CQSZACIVSA-N 1 2 344.419 2.716 10 5 EFBELO CC(C)(C)n1nnnc1C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451548429 478084918 /nfs/dbraw/zinc/08/49/18/478084918.db2.gz NBJHTFNNHQKNJK-CQSZACIVSA-N 1 2 344.419 2.716 10 5 EFBELO CC(C)CN1C[C@H]2C[N@@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000488766513 478181467 /nfs/dbraw/zinc/18/14/67/478181467.db2.gz JLUIMSNZDORYQX-WMLDXEAASA-N 1 2 346.431 2.734 10 5 EFBELO CC(C)CN1C[C@H]2C[N@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000488766513 478181469 /nfs/dbraw/zinc/18/14/69/478181469.db2.gz JLUIMSNZDORYQX-WMLDXEAASA-N 1 2 346.431 2.734 10 5 EFBELO Cc1cc(NC(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)c(C)c[nH+]1 ZINC000535773061 478229178 /nfs/dbraw/zinc/22/91/78/478229178.db2.gz DNFMSTIZCDHXCO-UHFFFAOYSA-N 1 2 326.356 2.619 10 5 EFBELO COc1cc(C[NH+]2CC(Cc3ccco3)C2)c([N+](=O)[O-])cc1OC ZINC000600197090 478277022 /nfs/dbraw/zinc/27/70/22/478277022.db2.gz FZMYSWRVEZTNKX-UHFFFAOYSA-N 1 2 332.356 2.880 10 5 EFBELO CC[C@H](NC(=O)NCCNc1cccc[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000489866515 478280376 /nfs/dbraw/zinc/28/03/76/478280376.db2.gz RDXUDFCTZPVDIO-HNNXBMFYSA-N 1 2 343.387 2.852 10 5 EFBELO Cn1cc(C[N@@H+]2CCO[C@H](CCF)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000600204574 478282099 /nfs/dbraw/zinc/28/20/99/478282099.db2.gz LEUBZWPHOKKSGO-MRXNPFEDSA-N 1 2 348.378 2.556 10 5 EFBELO Cn1cc(C[N@H+]2CCO[C@H](CCF)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000600204574 478282105 /nfs/dbraw/zinc/28/21/05/478282105.db2.gz LEUBZWPHOKKSGO-MRXNPFEDSA-N 1 2 348.378 2.556 10 5 EFBELO CC[C@@H](NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1)c1cccc([N+](=O)[O-])c1 ZINC000597349336 478306612 /nfs/dbraw/zinc/30/66/12/478306612.db2.gz OHDVHQQBZXEHAW-GXTWGEPZSA-N 1 2 328.372 2.690 10 5 EFBELO CC[C@@H](NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1)c1cccc([N+](=O)[O-])c1 ZINC000597349336 478306623 /nfs/dbraw/zinc/30/66/23/478306623.db2.gz OHDVHQQBZXEHAW-GXTWGEPZSA-N 1 2 328.372 2.690 10 5 EFBELO O=C(N[C@H]1CCCC1(F)F)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000590761429 478326477 /nfs/dbraw/zinc/32/64/77/478326477.db2.gz WOVXGXJQNRYCBX-ZDUSSCGKSA-N 1 2 336.298 2.698 10 5 EFBELO O=C([C@@H]1CCc2[nH+]c[nH]c2C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000597468409 478366494 /nfs/dbraw/zinc/36/64/94/478366494.db2.gz QHPYYUQJWZGOKJ-CYBMUJFWSA-N 1 2 340.383 2.614 10 5 EFBELO O=C([C@@H]1CCc2[nH]c[nH+]c2C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000597468409 478366497 /nfs/dbraw/zinc/36/64/97/478366497.db2.gz QHPYYUQJWZGOKJ-CYBMUJFWSA-N 1 2 340.383 2.614 10 5 EFBELO COC[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000594969079 478612542 /nfs/dbraw/zinc/61/25/42/478612542.db2.gz MFSUCUPDXBPLHS-INIZCTEOSA-N 1 2 332.356 2.786 10 5 EFBELO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)c1nccn1C ZINC000594997120 478622599 /nfs/dbraw/zinc/62/25/99/478622599.db2.gz XYJKQZXIKGYOPX-SECBINFHSA-N 1 2 326.303 2.781 10 5 EFBELO Cn1ccnc1[C@H]([NH2+][C@@H]1COC(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000595051421 478641871 /nfs/dbraw/zinc/64/18/71/478641871.db2.gz UKWGKRWDEMUJIA-DZGCQCFKSA-N 1 2 330.388 2.575 10 5 EFBELO CN(C)c1ccc(Nc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)c[nH+]1 ZINC000601101945 478657441 /nfs/dbraw/zinc/65/74/41/478657441.db2.gz ZOQXPGMQOABXLL-UHFFFAOYSA-N 1 2 330.270 2.552 10 5 EFBELO Cc1c[nH+]ccc1CCNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601134571 478678712 /nfs/dbraw/zinc/67/87/12/478678712.db2.gz DPTQMCPBNXWIJH-UHFFFAOYSA-N 1 2 329.282 2.705 10 5 EFBELO Cc1ccc2nc(C[NH2+][C@@](C)(CO)c3cccc([N+](=O)[O-])c3)cn2c1 ZINC000601149361 478689395 /nfs/dbraw/zinc/68/93/95/478689395.db2.gz MBKVVHLHGJBYLE-SFHVURJKSA-N 1 2 340.383 2.548 10 5 EFBELO Cc1ccc2[nH+]c(CN[C@@](C)(CO)c3cccc([N+](=O)[O-])c3)cn2c1 ZINC000601149361 478689401 /nfs/dbraw/zinc/68/94/01/478689401.db2.gz MBKVVHLHGJBYLE-SFHVURJKSA-N 1 2 340.383 2.548 10 5 EFBELO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCO[C@]4(CCCOC4)C3)c2c1 ZINC000582832526 478697347 /nfs/dbraw/zinc/69/73/47/478697347.db2.gz LBLUOVOGCDJZSQ-QGZVFWFLSA-N 1 2 329.356 2.529 10 5 EFBELO Cc1cc(C)c(CNc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)c[nH+]1 ZINC000601171912 478704798 /nfs/dbraw/zinc/70/47/98/478704798.db2.gz RLVSZPCJAGHGAF-UHFFFAOYSA-N 1 2 329.282 2.971 10 5 EFBELO C[C@@H]1C[C@H]([NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)[C@@H](C)O1 ZINC000601299349 478773785 /nfs/dbraw/zinc/77/37/85/478773785.db2.gz PMQFMLYLWSYHQR-MPTQWLOMSA-N 1 2 330.388 2.573 10 5 EFBELO COc1cc(C[NH2+][C@H](C)c2nnc3n2CCCCC3)ccc1[N+](=O)[O-] ZINC000595433722 478779579 /nfs/dbraw/zinc/77/95/79/478779579.db2.gz PJZMJFJMIVZNLL-GFCCVEGCSA-N 1 2 345.403 2.772 10 5 EFBELO CC(C)[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CC1 ZINC000598381364 478796252 /nfs/dbraw/zinc/79/62/52/478796252.db2.gz LFJLBPGJHOVWEV-MRXNPFEDSA-N 1 2 328.372 2.945 10 5 EFBELO C[C@H](NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)c1[nH+]ccn1C ZINC000598465401 478838135 /nfs/dbraw/zinc/83/81/35/478838135.db2.gz RFDWRUFMUQXFBB-QMMMGPOBSA-N 1 2 342.277 2.838 10 5 EFBELO Cc1ccc([C@@H](C)NC(=O)N[C@@H](C)c2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000595544212 478845060 /nfs/dbraw/zinc/84/50/60/478845060.db2.gz NIEYVBJSDPPHGW-NEPJUHHUSA-N 1 2 331.376 2.758 10 5 EFBELO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCO[C@@](C)(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000595627438 478898499 /nfs/dbraw/zinc/89/84/99/478898499.db2.gz ZCZMYDYJKKBTMQ-SCLBCKFNSA-N 1 2 347.415 2.731 10 5 EFBELO Cc1c(NC(=O)[C@H](C)[N@H+]2CCO[C@@](C)(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000595627438 478898509 /nfs/dbraw/zinc/89/85/09/478898509.db2.gz ZCZMYDYJKKBTMQ-SCLBCKFNSA-N 1 2 347.415 2.731 10 5 EFBELO C[C@H]1CCC[C@](CNC(=O)c2cc(O)ccc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000507527364 478926958 /nfs/dbraw/zinc/92/69/58/478926958.db2.gz FQYGHJHQDWOBLB-SJCJKPOMSA-N 1 2 335.404 2.541 10 5 EFBELO NC(=O)c1ccc(C[NH2+][C@@H](C(F)F)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000598650448 478946428 /nfs/dbraw/zinc/94/64/28/478946428.db2.gz RGJCYRDUKSJKOE-CQSZACIVSA-N 1 2 341.358 2.997 10 5 EFBELO C[N@@H+]1CCN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CC1(C)C ZINC000565204039 478949542 /nfs/dbraw/zinc/94/95/42/478949542.db2.gz LOLPHUJXPYQTRU-UHFFFAOYSA-N 1 2 349.434 2.848 10 5 EFBELO C[N@H+]1CCN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CC1(C)C ZINC000565204039 478949543 /nfs/dbraw/zinc/94/95/43/478949543.db2.gz LOLPHUJXPYQTRU-UHFFFAOYSA-N 1 2 349.434 2.848 10 5 EFBELO CC(C)(C)CN1CCC[C@H]([N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)C1=O ZINC000545894730 478968796 /nfs/dbraw/zinc/96/87/96/478968796.db2.gz RJPOMXHYYVQPCH-KRWDZBQOSA-N 1 2 345.443 2.990 10 5 EFBELO CC(C)(C)CN1CCC[C@H]([N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)C1=O ZINC000545894730 478968802 /nfs/dbraw/zinc/96/88/02/478968802.db2.gz RJPOMXHYYVQPCH-KRWDZBQOSA-N 1 2 345.443 2.990 10 5 EFBELO CCC1([NH+]2CCCC2)CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000601744574 478981484 /nfs/dbraw/zinc/98/14/84/478981484.db2.gz NNAJIRUPNAPLCG-UHFFFAOYSA-N 1 2 347.415 2.781 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC2(CCCC2)OC[C@H]1C ZINC000595814966 479012181 /nfs/dbraw/zinc/01/21/81/479012181.db2.gz KAGUOUAUCIYNFA-CQSZACIVSA-N 1 2 347.415 2.875 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC2(CCCC2)OC[C@H]1C ZINC000595814966 479012188 /nfs/dbraw/zinc/01/21/88/479012188.db2.gz KAGUOUAUCIYNFA-CQSZACIVSA-N 1 2 347.415 2.875 10 5 EFBELO C[C@H]1COC2(CCCC2)C[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000595816242 479014032 /nfs/dbraw/zinc/01/40/32/479014032.db2.gz VCQOPXYBBAJZNI-AWEZNQCLSA-N 1 2 347.415 2.591 10 5 EFBELO C[C@H]1COC2(CCCC2)C[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000595816242 479014035 /nfs/dbraw/zinc/01/40/35/479014035.db2.gz VCQOPXYBBAJZNI-AWEZNQCLSA-N 1 2 347.415 2.591 10 5 EFBELO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCO[C@@]4(CCSC4)C3)c2c1 ZINC000573241503 479023326 /nfs/dbraw/zinc/02/33/26/479023326.db2.gz GYUHRKCACYLAIV-INIZCTEOSA-N 1 2 331.397 2.855 10 5 EFBELO COc1cc(C[N@@H+]2C[C@@H](C)O[C@](C)(C(F)F)C2)ccc1[N+](=O)[O-] ZINC000595921933 479075832 /nfs/dbraw/zinc/07/58/32/479075832.db2.gz ZKELOABQLJSCIX-BMIGLBTASA-N 1 2 330.331 2.848 10 5 EFBELO COc1cc(C[N@H+]2C[C@@H](C)O[C@](C)(C(F)F)C2)ccc1[N+](=O)[O-] ZINC000595921933 479075840 /nfs/dbraw/zinc/07/58/40/479075840.db2.gz ZKELOABQLJSCIX-BMIGLBTASA-N 1 2 330.331 2.848 10 5 EFBELO Cc1cn2c([nH+]1)C[C@@H](C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)CC2 ZINC000598960713 479102754 /nfs/dbraw/zinc/10/27/54/479102754.db2.gz FWJKQCHRSJDKTH-ZDUSSCGKSA-N 1 2 328.372 2.918 10 5 EFBELO COc1cc(C[N@@H+]2CCO[C@@H](C(F)F)CC2)c([N+](=O)[O-])cc1F ZINC000601971021 479103010 /nfs/dbraw/zinc/10/30/10/479103010.db2.gz AACZUYVVDMYCIR-GFCCVEGCSA-N 1 2 334.294 2.599 10 5 EFBELO COc1cc(C[N@H+]2CCO[C@@H](C(F)F)CC2)c([N+](=O)[O-])cc1F ZINC000601971021 479103016 /nfs/dbraw/zinc/10/30/16/479103016.db2.gz AACZUYVVDMYCIR-GFCCVEGCSA-N 1 2 334.294 2.599 10 5 EFBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC(C)(C)OCC2(C)C)c1 ZINC000593013555 479124601 /nfs/dbraw/zinc/12/46/01/479124601.db2.gz JOFREQVEUNNQHA-UHFFFAOYSA-N 1 2 336.388 2.771 10 5 EFBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC(C)(C)OCC2(C)C)c1 ZINC000593013555 479124607 /nfs/dbraw/zinc/12/46/07/479124607.db2.gz JOFREQVEUNNQHA-UHFFFAOYSA-N 1 2 336.388 2.771 10 5 EFBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)[C@@H](C)c2ccccn2)c1 ZINC000593018445 479126730 /nfs/dbraw/zinc/12/67/30/479126730.db2.gz KJKCRDIOFHLUOF-LBPRGKRZSA-N 1 2 329.356 2.969 10 5 EFBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)[C@@H](C)c2ccccn2)c1 ZINC000593018445 479126737 /nfs/dbraw/zinc/12/67/37/479126737.db2.gz KJKCRDIOFHLUOF-LBPRGKRZSA-N 1 2 329.356 2.969 10 5 EFBELO CC(C)C(=O)NC1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599019371 479128923 /nfs/dbraw/zinc/12/89/23/479128923.db2.gz IXEYTJNZLOODQA-UHFFFAOYSA-N 1 2 342.399 2.884 10 5 EFBELO CCOc1cc(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)OC)ccc1[N+](=O)[O-] ZINC000493741809 479137998 /nfs/dbraw/zinc/13/79/98/479137998.db2.gz YFZGBVYMGIUBBP-JJRVBVJISA-N 1 2 348.399 2.767 10 5 EFBELO CCOc1cc(C[N@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)OC)ccc1[N+](=O)[O-] ZINC000493741809 479138005 /nfs/dbraw/zinc/13/80/05/479138005.db2.gz YFZGBVYMGIUBBP-JJRVBVJISA-N 1 2 348.399 2.767 10 5 EFBELO CCOc1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)OC)ccc1[N+](=O)[O-] ZINC000493741807 479138435 /nfs/dbraw/zinc/13/84/35/479138435.db2.gz YFZGBVYMGIUBBP-GRDNDAEWSA-N 1 2 348.399 2.767 10 5 EFBELO CCOc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)OC)ccc1[N+](=O)[O-] ZINC000493741807 479138442 /nfs/dbraw/zinc/13/84/42/479138442.db2.gz YFZGBVYMGIUBBP-GRDNDAEWSA-N 1 2 348.399 2.767 10 5 EFBELO CS(=O)(=O)[C@H]1CCC[C@@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599048319 479138613 /nfs/dbraw/zinc/13/86/13/479138613.db2.gz KJVFUPGKALTAFY-OLZOCXBDSA-N 1 2 349.412 2.911 10 5 EFBELO C[C@@H]1C[C@@H]1N1C[C@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1=O ZINC000599053384 479139522 /nfs/dbraw/zinc/13/95/22/479139522.db2.gz SLKSOEDNYLOEBK-HCKVZZMMSA-N 1 2 326.356 2.564 10 5 EFBELO O=[N+]([O-])c1c(NC[C@H]2CCCCS2(=O)=O)ccc2c[nH+]ccc21 ZINC000599065775 479145497 /nfs/dbraw/zinc/14/54/97/479145497.db2.gz NHGQTRIDCFSQJY-GFCCVEGCSA-N 1 2 335.385 2.522 10 5 EFBELO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCOCC2(CCOCC2)C1 ZINC000599067242 479145514 /nfs/dbraw/zinc/14/55/14/479145514.db2.gz ZJWOCVCSKHILSZ-UHFFFAOYSA-N 1 2 343.383 2.776 10 5 EFBELO CC[C@@H]1C[N@H+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])[C@H](CC)CO1 ZINC000593057324 479149367 /nfs/dbraw/zinc/14/93/67/479149367.db2.gz FNDNJQFYIOWQPY-HUUCEWRRSA-N 1 2 336.388 2.771 10 5 EFBELO CC[C@@H]1C[N@@H+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])[C@H](CC)CO1 ZINC000593057324 479149373 /nfs/dbraw/zinc/14/93/73/479149373.db2.gz FNDNJQFYIOWQPY-HUUCEWRRSA-N 1 2 336.388 2.771 10 5 EFBELO CS(=O)(=O)[C@H]1CCCCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599073059 479149298 /nfs/dbraw/zinc/14/92/98/479149298.db2.gz KTEFRNSMQUYSIF-ZDUSSCGKSA-N 1 2 349.412 2.547 10 5 EFBELO CS(=O)(=O)[C@@H]1CCCCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599073056 479149331 /nfs/dbraw/zinc/14/93/31/479149331.db2.gz KTEFRNSMQUYSIF-CYBMUJFWSA-N 1 2 349.412 2.547 10 5 EFBELO CN(CCCNC(=O)C1CCC1)c1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599073857 479151041 /nfs/dbraw/zinc/15/10/41/479151041.db2.gz ORTBEAYEYUBCSD-UHFFFAOYSA-N 1 2 342.399 2.886 10 5 EFBELO COCC1(CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CCOCC1 ZINC000599082144 479154206 /nfs/dbraw/zinc/15/42/06/479154206.db2.gz REBQQYHKIYDTGM-UHFFFAOYSA-N 1 2 331.372 2.998 10 5 EFBELO CC(C)(CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-])[C@]1(O)CCOC1 ZINC000599095386 479159890 /nfs/dbraw/zinc/15/98/90/479159890.db2.gz SFXLXQLDDUTASZ-KRWDZBQOSA-N 1 2 331.372 2.733 10 5 EFBELO O=C1CCCN1C[C@@H]1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599110075 479163852 /nfs/dbraw/zinc/16/38/52/479163852.db2.gz FLZZKZUILMBOIH-CYBMUJFWSA-N 1 2 340.383 2.592 10 5 EFBELO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCC[C@H]1CCCOC1 ZINC000599116521 479167278 /nfs/dbraw/zinc/16/72/78/479167278.db2.gz JOUCFPWEIUKLHI-OAHLLOKOSA-N 1 2 349.431 2.656 10 5 EFBELO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCC[C@@H]1CCCOC1 ZINC000599116520 479167341 /nfs/dbraw/zinc/16/73/41/479167341.db2.gz JOUCFPWEIUKLHI-HNNXBMFYSA-N 1 2 349.431 2.656 10 5 EFBELO C[C@H]1C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C2(CCC2)CO1 ZINC000593092093 479169614 /nfs/dbraw/zinc/16/96/14/479169614.db2.gz MLOIQGJWYSTTCJ-LBPRGKRZSA-N 1 2 344.371 2.788 10 5 EFBELO C[C@H]1C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C2(CCC2)CO1 ZINC000593092093 479169622 /nfs/dbraw/zinc/16/96/22/479169622.db2.gz MLOIQGJWYSTTCJ-LBPRGKRZSA-N 1 2 344.371 2.788 10 5 EFBELO Cc1cc(NC[C@H]2COCC[N@H+]2C)c([N+](=O)[O-])cc1C(F)(F)F ZINC000599160414 479188650 /nfs/dbraw/zinc/18/86/50/479188650.db2.gz IQKQITBAGJRTBJ-JTQLQIEISA-N 1 2 333.310 2.665 10 5 EFBELO Cc1cc(NC[C@H]2COCC[N@@H+]2C)c([N+](=O)[O-])cc1C(F)(F)F ZINC000599160414 479188659 /nfs/dbraw/zinc/18/86/59/479188659.db2.gz IQKQITBAGJRTBJ-JTQLQIEISA-N 1 2 333.310 2.665 10 5 EFBELO Cc1cc(NC[C@@H]2C[N@H+](Cc3ccncc3)CCO2)c([N+](=O)[O-])s1 ZINC000599184629 479199207 /nfs/dbraw/zinc/19/92/07/479199207.db2.gz LCMLSRZLKUNKBF-CQSZACIVSA-N 1 2 348.428 2.673 10 5 EFBELO Cc1cc(NC[C@@H]2C[N@@H+](Cc3ccncc3)CCO2)c([N+](=O)[O-])s1 ZINC000599184629 479199214 /nfs/dbraw/zinc/19/92/14/479199214.db2.gz LCMLSRZLKUNKBF-CQSZACIVSA-N 1 2 348.428 2.673 10 5 EFBELO Cc1ccc(NC[C@@H]2C[N@H+](Cc3ccncc3)CCO2)c([N+](=O)[O-])c1 ZINC000599184312 479199342 /nfs/dbraw/zinc/19/93/42/479199342.db2.gz ZGBKPGJNLDPHLA-MRXNPFEDSA-N 1 2 342.399 2.611 10 5 EFBELO Cc1ccc(NC[C@@H]2C[N@@H+](Cc3ccncc3)CCO2)c([N+](=O)[O-])c1 ZINC000599184312 479199352 /nfs/dbraw/zinc/19/93/52/479199352.db2.gz ZGBKPGJNLDPHLA-MRXNPFEDSA-N 1 2 342.399 2.611 10 5 EFBELO Cc1cc(NC[C@H]2C[N@H+](Cc3ccncc3)CCO2)c([N+](=O)[O-])s1 ZINC000599184628 479199547 /nfs/dbraw/zinc/19/95/47/479199547.db2.gz LCMLSRZLKUNKBF-AWEZNQCLSA-N 1 2 348.428 2.673 10 5 EFBELO Cc1cc(NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)c([N+](=O)[O-])s1 ZINC000599184628 479199556 /nfs/dbraw/zinc/19/95/56/479199556.db2.gz LCMLSRZLKUNKBF-AWEZNQCLSA-N 1 2 348.428 2.673 10 5 EFBELO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2cc(CO)ccc2F)CC1 ZINC000599261453 479224640 /nfs/dbraw/zinc/22/46/40/479224640.db2.gz SIFMZIVWUZNSCF-UHFFFAOYSA-N 1 2 345.374 2.548 10 5 EFBELO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000611180302 479303548 /nfs/dbraw/zinc/30/35/48/479303548.db2.gz WQANRGBNHNOJGB-VHSXEESVSA-N 1 2 343.330 2.517 10 5 EFBELO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](C(F)F)C1 ZINC000611180302 479303558 /nfs/dbraw/zinc/30/35/58/479303558.db2.gz WQANRGBNHNOJGB-VHSXEESVSA-N 1 2 343.330 2.517 10 5 EFBELO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CC2(C1)CC(F)(F)C2 ZINC000611180679 479305282 /nfs/dbraw/zinc/30/52/82/479305282.db2.gz OWDFSZOFTYYEFR-JTQLQIEISA-N 1 2 325.315 2.653 10 5 EFBELO C[C@H]1CCC[C@H](CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])O1 ZINC000596475144 479310741 /nfs/dbraw/zinc/31/07/41/479310741.db2.gz RQDWJEGTNHMIPH-GOEBONIOSA-N 1 2 349.431 2.797 10 5 EFBELO Cc1cc(C)c([N+](=O)[O-])c(N[C@@H](c2[nH+]ccn2C)C2CCOCC2)n1 ZINC000585785400 479326729 /nfs/dbraw/zinc/32/67/29/479326729.db2.gz FCHDUYSDPNJEBS-CQSZACIVSA-N 1 2 345.403 2.920 10 5 EFBELO CCCC[C@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)OC ZINC000574673491 479327268 /nfs/dbraw/zinc/32/72/68/479327268.db2.gz CDWQHOUPBFKILK-INIZCTEOSA-N 1 2 333.388 2.940 10 5 EFBELO C[C@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000586806006 479357983 /nfs/dbraw/zinc/35/79/83/479357983.db2.gz QFGVCFZMVIZCHX-STQMWFEESA-N 1 2 347.415 2.683 10 5 EFBELO C[C@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000586806006 479357988 /nfs/dbraw/zinc/35/79/88/479357988.db2.gz QFGVCFZMVIZCHX-STQMWFEESA-N 1 2 347.415 2.683 10 5 EFBELO C[C@@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000586806004 479358549 /nfs/dbraw/zinc/35/85/49/479358549.db2.gz QFGVCFZMVIZCHX-OLZOCXBDSA-N 1 2 347.415 2.683 10 5 EFBELO C[C@@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000586806004 479358554 /nfs/dbraw/zinc/35/85/54/479358554.db2.gz QFGVCFZMVIZCHX-OLZOCXBDSA-N 1 2 347.415 2.683 10 5 EFBELO Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)CC2 ZINC000599633988 479362025 /nfs/dbraw/zinc/36/20/25/479362025.db2.gz DQARTOBMJUZEFW-DZGCQCFKSA-N 1 2 342.399 2.848 10 5 EFBELO CC(C)c1ccc(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)cc1[N+](=O)[O-] ZINC000587056693 479369797 /nfs/dbraw/zinc/36/97/97/479369797.db2.gz MFPMRTOXBMUGKJ-CYBMUJFWSA-N 1 2 328.372 2.660 10 5 EFBELO CN(C)c1[nH+]cccc1CNc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000574985150 479384514 /nfs/dbraw/zinc/38/45/14/479384514.db2.gz MYFLYGHETVMQHH-UHFFFAOYSA-N 1 2 327.388 2.942 10 5 EFBELO C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H](CCc1ccccc1)C(F)F ZINC000599681567 479388355 /nfs/dbraw/zinc/38/83/55/479388355.db2.gz GHSATKVVGDNSOZ-OAHLLOKOSA-N 1 2 338.358 2.990 10 5 EFBELO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@H](CCc1ccccc1)C(F)F ZINC000599681567 479388358 /nfs/dbraw/zinc/38/83/58/479388358.db2.gz GHSATKVVGDNSOZ-OAHLLOKOSA-N 1 2 338.358 2.990 10 5 EFBELO CN(CCc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000588249420 479409241 /nfs/dbraw/zinc/40/92/41/479409241.db2.gz ZQYWIIJWBVLCLB-UHFFFAOYSA-N 1 2 339.355 2.949 10 5 EFBELO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000611577315 479422407 /nfs/dbraw/zinc/42/24/07/479422407.db2.gz HTSNIOITUZBWQQ-QWRGUYRKSA-N 1 2 343.330 2.625 10 5 EFBELO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000611577315 479422411 /nfs/dbraw/zinc/42/24/11/479422411.db2.gz HTSNIOITUZBWQQ-QWRGUYRKSA-N 1 2 343.330 2.625 10 5 EFBELO C[C@H]1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)C[C@@H]1n1cc[nH+]c1 ZINC000611706774 479450906 /nfs/dbraw/zinc/45/09/06/479450906.db2.gz HDEDLRPDMPQLII-LRDDRELGSA-N 1 2 338.371 2.822 10 5 EFBELO Cc1cn2c([nH+]1)C[C@H](C(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])CC2 ZINC000599966158 479482113 /nfs/dbraw/zinc/48/21/13/479482113.db2.gz ONLZOTHXPSJNEL-CYBMUJFWSA-N 1 2 342.399 2.714 10 5 EFBELO C[C@H](NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1[nH+]ccn1C ZINC000596930316 479492350 /nfs/dbraw/zinc/49/23/50/479492350.db2.gz BWLIZWCYKKYFJH-LBPRGKRZSA-N 1 2 343.387 2.764 10 5 EFBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCOC3(CCCCC3)C2)c1 ZINC000589502833 479535120 /nfs/dbraw/zinc/53/51/20/479535120.db2.gz CCLPUOMYYSYZBL-UHFFFAOYSA-N 1 2 348.399 2.917 10 5 EFBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCOC3(CCCCC3)C2)c1 ZINC000589502833 479535126 /nfs/dbraw/zinc/53/51/26/479535126.db2.gz CCLPUOMYYSYZBL-UHFFFAOYSA-N 1 2 348.399 2.917 10 5 EFBELO Cc1cc(OCC(=O)Nc2ccc3[nH+]ccn3c2)ccc1[N+](=O)[O-] ZINC000619528734 479819682 /nfs/dbraw/zinc/81/96/82/479819682.db2.gz WCBZOSMKJDUIKO-UHFFFAOYSA-N 1 2 326.312 2.568 10 5 EFBELO Cc1c(NC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cccc1[N+](=O)[O-] ZINC000609552217 480173803 /nfs/dbraw/zinc/17/38/03/480173803.db2.gz DPUUNCBKEUKFIJ-CYBMUJFWSA-N 1 2 329.360 2.969 10 5 EFBELO CCOc1ccc(C(=O)Nc2ccc3[nH+]ccn3c2)cc1[N+](=O)[O-] ZINC000609618992 480188052 /nfs/dbraw/zinc/18/80/52/480188052.db2.gz XAQYGPZKMDGUHZ-UHFFFAOYSA-N 1 2 326.312 2.894 10 5 EFBELO O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccc2[nH+]ccn2c1 ZINC000609618998 480188265 /nfs/dbraw/zinc/18/82/65/480188265.db2.gz XSTDMPFSTPJCAP-UHFFFAOYSA-N 1 2 328.353 2.973 10 5 EFBELO CC[NH+](CC)Cc1ccc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)o1 ZINC000614272476 480251809 /nfs/dbraw/zinc/25/18/09/480251809.db2.gz ZLLWWZQEINZQIV-UHFFFAOYSA-N 1 2 333.344 2.988 10 5 EFBELO Cc1nc(CN2CC[NH+](Cc3ccc([N+](=O)[O-])cc3C)CC2)oc1C ZINC000183328981 534360013 /nfs/dbraw/zinc/36/00/13/534360013.db2.gz FKHMGKVENNQHFS-UHFFFAOYSA-N 1 2 344.415 2.826 10 5 EFBELO O=C(NCc1ccn2cc[nH+]c2c1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000178064324 526787964 /nfs/dbraw/zinc/78/79/64/526787964.db2.gz HBBXXSHPBRLKBG-UHFFFAOYSA-N 1 2 335.323 2.654 10 5 EFBELO O=[N+]([O-])c1cccc(F)c1C[NH+]1CCC(Nc2cccnn2)CC1 ZINC000105806025 527388935 /nfs/dbraw/zinc/38/89/35/527388935.db2.gz CCIZTQRKUOFANH-UHFFFAOYSA-N 1 2 331.351 2.600 10 5 EFBELO CCOC(=O)[C@H](CC)[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)C1CC1 ZINC000346419132 535643642 /nfs/dbraw/zinc/64/36/42/535643642.db2.gz PPBXSZWVBCOESO-AWEZNQCLSA-N 1 2 336.388 2.910 10 5 EFBELO CCOC(=O)[C@H](CC)[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)C1CC1 ZINC000346419132 535643648 /nfs/dbraw/zinc/64/36/48/535643648.db2.gz PPBXSZWVBCOESO-AWEZNQCLSA-N 1 2 336.388 2.910 10 5 EFBELO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000755243680 575564808 /nfs/dbraw/zinc/56/48/08/575564808.db2.gz YGLYSEHYFBIHDB-RAXLEYEMSA-N 1 2 339.351 2.683 10 5 EFBELO O=C(C[N@@H+]1CC[C@H]2C[C@H]21)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000761080654 576111108 /nfs/dbraw/zinc/11/11/08/576111108.db2.gz DVMCXPQOEHVABB-SMDDNHRTSA-N 1 2 344.396 2.751 10 5 EFBELO O=C(C[N@H+]1CC[C@H]2C[C@H]21)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000761080654 576111110 /nfs/dbraw/zinc/11/11/10/576111110.db2.gz DVMCXPQOEHVABB-SMDDNHRTSA-N 1 2 344.396 2.751 10 5 EFBELO CC[NH+](CC)Cc1csc(NC(=O)c2ccc([N+](=O)[O-])cn2)n1 ZINC000762052453 576249985 /nfs/dbraw/zinc/24/99/85/576249985.db2.gz KERKAFNMGVWMIM-UHFFFAOYSA-N 1 2 335.389 2.540 10 5 EFBELO COc1cc(F)c([N+](=O)[O-])c(NCc2cccnc2-n2cc[nH+]c2)c1 ZINC000771064518 581170399 /nfs/dbraw/zinc/17/03/99/581170399.db2.gz FMBHBWNCMKPYCO-UHFFFAOYSA-N 1 2 343.318 2.935 10 5 EFBELO COc1cc(C(=O)OCc2ccc(C)[nH+]c2C)c([N+](=O)[O-])cc1OC ZINC000771845020 581250016 /nfs/dbraw/zinc/25/00/16/581250016.db2.gz GNOHPSVWVZURJE-UHFFFAOYSA-N 1 2 346.339 2.981 10 5 EFBELO Cc1nn(CCC(=O)OCc2ccc(C)[nH+]c2C)c(C)c1[N+](=O)[O-] ZINC000772073829 581278609 /nfs/dbraw/zinc/27/86/09/581278609.db2.gz CLHDAAVFBHSTBZ-UHFFFAOYSA-N 1 2 332.360 2.553 10 5 EFBELO O=C(OC[C@@H]1C[C@H]2C[C@H]2C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000851225152 1250870042 /nfs/dbraw/zinc/87/00/42/1250870042.db2.gz CXDRDBDGNKQVSG-UBSAEIQESA-N 1 2 327.340 2.983 10 5 EFBELO CN(C)Cc1csc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])n1 ZINC000903220204 1259944721 /nfs/dbraw/zinc/94/47/21/1259944721.db2.gz MEGMIGZYZQEVQR-CQSZACIVSA-N 1 2 332.429 2.890 10 5 EFBELO Cc1c(C(=O)Nc2ccc3[nH+]ccn3c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000733968998 1266795711 /nfs/dbraw/zinc/79/57/11/1266795711.db2.gz YRQCGFKYBPWIDB-UHFFFAOYSA-N 1 2 341.283 2.711 10 5 EFBELO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000825123862 1278419589 /nfs/dbraw/zinc/41/95/89/1278419589.db2.gz DSWBXPXVOBWKJP-QPUJVOFHSA-N 1 2 338.713 2.993 10 5 EFBELO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000825123862 1278419601 /nfs/dbraw/zinc/41/96/01/1278419601.db2.gz DSWBXPXVOBWKJP-QPUJVOFHSA-N 1 2 338.713 2.993 10 5 EFBELO Cc1c([N+](=O)[O-])cc(C(=O)Nc2ccc3[nH+]ccn3c2)cc1[N+](=O)[O-] ZINC000737555901 1271182543 /nfs/dbraw/zinc/18/25/43/1271182543.db2.gz WJEATRAEJWIXAW-UHFFFAOYSA-N 1 2 341.283 2.711 10 5 EFBELO CC[C@H](C(=O)OC(C)(C)C)[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000844474338 1279030262 /nfs/dbraw/zinc/03/02/62/1279030262.db2.gz OBEVDMALJKYJGW-CABCVRRESA-N 1 2 338.404 2.680 10 5 EFBELO CC[C@H](C(=O)OC(C)(C)C)[N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000844474338 1279030271 /nfs/dbraw/zinc/03/02/71/1279030271.db2.gz OBEVDMALJKYJGW-CABCVRRESA-N 1 2 338.404 2.680 10 5 EFBELO O=C(C[N@@H+]1CC[C@]2(CC2(F)F)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000844471055 1279026652 /nfs/dbraw/zinc/02/66/52/1279026652.db2.gz NBPNKWDUDVJEAE-ZDUSSCGKSA-N 1 2 345.733 2.918 10 5 EFBELO O=C(C[N@H+]1CC[C@]2(CC2(F)F)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000844471055 1279026663 /nfs/dbraw/zinc/02/66/63/1279026663.db2.gz NBPNKWDUDVJEAE-ZDUSSCGKSA-N 1 2 345.733 2.918 10 5 EFBELO C[C@H](OC(=O)Cc1cn2c([nH+]1)CCCC2)c1ccccc1[N+](=O)[O-] ZINC000845452467 1279669317 /nfs/dbraw/zinc/66/93/17/1279669317.db2.gz XUHSNWKZSCUQMJ-LBPRGKRZSA-N 1 2 329.356 2.975 10 5 EFBELO C[C@@]12CC[N@H+](Cn3cc([N+](=O)[O-])c(-c4ccncc4)n3)C[C@@H]1C2(F)F ZINC000793545146 1279737734 /nfs/dbraw/zinc/73/77/34/1279737734.db2.gz MNNJMAPWGQXVMC-DZGCQCFKSA-N 1 2 349.341 2.788 10 5 EFBELO C[C@@]12CC[N@@H+](Cn3cc([N+](=O)[O-])c(-c4ccncc4)n3)C[C@@H]1C2(F)F ZINC000793545146 1279737739 /nfs/dbraw/zinc/73/77/39/1279737739.db2.gz MNNJMAPWGQXVMC-DZGCQCFKSA-N 1 2 349.341 2.788 10 5 EFBELO CN1CCCC[C@@H]([N@H+](C)Cc2cc(Cl)ccc2[N+](=O)[O-])C1=O ZINC000872263144 1287507711 /nfs/dbraw/zinc/50/77/11/1287507711.db2.gz JSAZLUMVGBPCFX-CQSZACIVSA-N 1 2 325.796 2.691 10 5 EFBELO CN1CCCC[C@@H]([N@@H+](C)Cc2cc(Cl)ccc2[N+](=O)[O-])C1=O ZINC000872263144 1287507717 /nfs/dbraw/zinc/50/77/17/1287507717.db2.gz JSAZLUMVGBPCFX-CQSZACIVSA-N 1 2 325.796 2.691 10 5 EFBELO Cc1[nH+]c[nH]c1CNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001148760810 1281750408 /nfs/dbraw/zinc/75/04/08/1281750408.db2.gz DUNIUQRUXLPYFF-UHFFFAOYSA-N 1 2 328.250 2.575 10 5 EFBELO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCc3cc(F)cc(F)c3C2)cc1 ZINC001177027038 1288233468 /nfs/dbraw/zinc/23/34/68/1288233468.db2.gz BMAQPPJTKKXGQC-QGZVFWFLSA-N 1 2 334.322 2.965 10 5 EFBELO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCc3cc(F)cc(F)c3C2)cc1 ZINC001177027038 1288233471 /nfs/dbraw/zinc/23/34/71/1288233471.db2.gz BMAQPPJTKKXGQC-QGZVFWFLSA-N 1 2 334.322 2.965 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1-c1nc([C@@H]([NH3+])CC(=O)OC(C)(C)C)no1 ZINC000823394405 1289289584 /nfs/dbraw/zinc/28/95/84/1289289584.db2.gz YONJDQKELJWCQT-LBPRGKRZSA-N 1 2 348.359 2.685 10 5 EFBELO CC(=O)C1CC[NH+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)CC1 ZINC000872801318 1289389887 /nfs/dbraw/zinc/38/98/87/1289389887.db2.gz ZYUMIRZHSJRLHE-UHFFFAOYSA-N 1 2 328.372 2.717 10 5 EFBELO CC[C@H](CO)[NH+]1CCN(c2c(Cl)c(Cl)ccc2[N+](=O)[O-])CC1 ZINC001185555484 1290706977 /nfs/dbraw/zinc/70/69/77/1290706977.db2.gz SNZBOBPJJGTUPY-SNVBAGLBSA-N 1 2 348.230 2.795 10 5 EFBELO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](OC(F)F)C2)c([N+](=O)[O-])c1 ZINC000775055148 1291021138 /nfs/dbraw/zinc/02/11/38/1291021138.db2.gz QCCFXSTUSISULS-NSHDSACASA-N 1 2 331.275 2.707 10 5 EFBELO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](OC(F)F)C2)c([N+](=O)[O-])c1 ZINC000775055148 1291021149 /nfs/dbraw/zinc/02/11/49/1291021149.db2.gz QCCFXSTUSISULS-NSHDSACASA-N 1 2 331.275 2.707 10 5 EFBELO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000877693594 1291332783 /nfs/dbraw/zinc/33/27/83/1291332783.db2.gz LPDJCNPKUJMLPP-GXSJLCMTSA-N 1 2 338.713 2.851 10 5 EFBELO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000877693594 1291332792 /nfs/dbraw/zinc/33/27/92/1291332792.db2.gz LPDJCNPKUJMLPP-GXSJLCMTSA-N 1 2 338.713 2.851 10 5 EFBELO CC(C)(C)OC(=O)CCC1CC[NH+](Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000853551477 1300161162 /nfs/dbraw/zinc/16/11/62/1300161162.db2.gz HCWZCHJGUSDYQO-UHFFFAOYSA-N 1 2 338.408 2.583 10 5 EFBELO CCO[C@@H](COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CC1 ZINC000859663874 1301523798 /nfs/dbraw/zinc/52/37/98/1301523798.db2.gz VQTUGRVDENVXLP-INIZCTEOSA-N 1 2 345.355 2.752 10 5 EFBELO Cc1ccc(C[N@@H+]2CCO[C@@H](CNc3ccc([N+](=O)[O-])nc3)C2)cc1 ZINC000866190729 1303555600 /nfs/dbraw/zinc/55/56/00/1303555600.db2.gz LZLJADUSHWGYMO-KRWDZBQOSA-N 1 2 342.399 2.611 10 5 EFBELO Cc1ccc(C[N@H+]2CCO[C@@H](CNc3ccc([N+](=O)[O-])nc3)C2)cc1 ZINC000866190729 1303555605 /nfs/dbraw/zinc/55/56/05/1303555605.db2.gz LZLJADUSHWGYMO-KRWDZBQOSA-N 1 2 342.399 2.611 10 5 EFBELO CC1(C)CO[C@@H](COC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000869533478 1304835017 /nfs/dbraw/zinc/83/50/17/1304835017.db2.gz ZERARBSUPYYMNO-CYBMUJFWSA-N 1 2 345.355 2.752 10 5 EFBELO CSc1cccc(C(=O)O[C@H]2CC[N@H+](CCF)C2)c1[N+](=O)[O-] ZINC000802232653 1311490773 /nfs/dbraw/zinc/49/07/73/1311490773.db2.gz KQCRMMCSWLKGKX-JTQLQIEISA-N 1 2 328.365 2.517 10 5 EFBELO CSc1cccc(C(=O)O[C@H]2CC[N@@H+](CCF)C2)c1[N+](=O)[O-] ZINC000802232653 1311490776 /nfs/dbraw/zinc/49/07/76/1311490776.db2.gz KQCRMMCSWLKGKX-JTQLQIEISA-N 1 2 328.365 2.517 10 5 EFBELO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC000802240036 1311496940 /nfs/dbraw/zinc/49/69/40/1311496940.db2.gz TWONABFUIMEHGD-GDBMZVCRSA-N 1 2 338.379 2.751 10 5 EFBELO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000802240036 1311496942 /nfs/dbraw/zinc/49/69/42/1311496942.db2.gz TWONABFUIMEHGD-GDBMZVCRSA-N 1 2 338.379 2.751 10 5 EFBELO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC000802244356 1311502614 /nfs/dbraw/zinc/50/26/14/1311502614.db2.gz NRSSSIOFOJOJLS-DGCLKSJQSA-N 1 2 342.392 2.662 10 5 EFBELO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000802244356 1311502618 /nfs/dbraw/zinc/50/26/18/1311502618.db2.gz NRSSSIOFOJOJLS-DGCLKSJQSA-N 1 2 342.392 2.662 10 5 EFBELO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC000802244357 1311502903 /nfs/dbraw/zinc/50/29/03/1311502903.db2.gz NRSSSIOFOJOJLS-WCQYABFASA-N 1 2 342.392 2.662 10 5 EFBELO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000802244357 1311502905 /nfs/dbraw/zinc/50/29/05/1311502905.db2.gz NRSSSIOFOJOJLS-WCQYABFASA-N 1 2 342.392 2.662 10 5 EFBELO C[C@@H](C(=O)OCCCc1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1F ZINC000802786636 1312021958 /nfs/dbraw/zinc/02/19/58/1312021958.db2.gz WFWMVXGDOATKDO-LLVKDONJSA-N 1 2 335.335 2.747 10 5 EFBELO C[C@H]([NH2+]Cc1nc(CN(C)C)cs1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000903218692 1312472950 /nfs/dbraw/zinc/47/29/50/1312472950.db2.gz BPYOEDMXVCHIJL-JTQLQIEISA-N 1 2 335.433 2.546 10 5 EFBELO C[C@H](NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC001291742733 1322004735 /nfs/dbraw/zinc/00/47/35/1322004735.db2.gz RZDQWDWKLSRTOO-ZBEGNZNMSA-N 1 2 343.387 2.576 10 5 EFBELO C[C@H](NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC001291742733 1322004738 /nfs/dbraw/zinc/00/47/38/1322004738.db2.gz RZDQWDWKLSRTOO-ZBEGNZNMSA-N 1 2 343.387 2.576 10 5 EFBELO C[C@H](NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC001291742678 1322004934 /nfs/dbraw/zinc/00/49/34/1322004934.db2.gz RZDQWDWKLSRTOO-MEDUHNTESA-N 1 2 343.387 2.576 10 5 EFBELO C[C@H](NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC001291742678 1322004944 /nfs/dbraw/zinc/00/49/44/1322004944.db2.gz RZDQWDWKLSRTOO-MEDUHNTESA-N 1 2 343.387 2.576 10 5 EFBELO O=C(NCC[NH+]1Cc2ccccc2C1)c1cccc([N+](=O)[O-])c1Cl ZINC001292453879 1322076478 /nfs/dbraw/zinc/07/64/78/1322076478.db2.gz DHMHMQDSOMPDOZ-UHFFFAOYSA-N 1 2 345.786 2.994 10 5 EFBELO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NCc1[nH]c2c([nH+]1)CCCC2 ZINC001304057175 1324635325 /nfs/dbraw/zinc/63/53/25/1324635325.db2.gz ZKIZPPMIYOLLIB-UHFFFAOYSA-N 1 2 332.335 2.574 10 5 EFBELO C[C@H](C[NH+]1CCOCC1)Nc1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001306929671 1324732829 /nfs/dbraw/zinc/73/28/29/1324732829.db2.gz CMXUJCYPEGYBKJ-SNVBAGLBSA-N 1 2 333.310 2.746 10 5 EFBELO C[C@@H](C[NH+]1CCOCC1)Nc1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001306929669 1324732848 /nfs/dbraw/zinc/73/28/48/1324732848.db2.gz CMXUJCYPEGYBKJ-JTQLQIEISA-N 1 2 333.310 2.746 10 5 EFBELO Cn1c[nH+]c2cc(Nc3c([N+](=O)[O-])c(C(F)(F)F)nn3C)ccc21 ZINC001306985749 1324736682 /nfs/dbraw/zinc/73/66/82/1324736682.db2.gz YMGHPRROUANXFH-UHFFFAOYSA-N 1 2 340.265 2.977 10 5 EFBELO O=[N+]([O-])c1ccc(-c2cnn(Cc3[nH+]ccn3CC(F)F)c2)cc1 ZINC001307301117 1324757472 /nfs/dbraw/zinc/75/74/72/1324757472.db2.gz YVWORLVDMKYOGJ-UHFFFAOYSA-N 1 2 333.298 2.968 10 5 EFBELO CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@@H](CC)C[N@@H+]1CC[N+](=O)[O-] ZINC001307482253 1324770566 /nfs/dbraw/zinc/77/05/66/1324770566.db2.gz MBFUIDXHQMIFEK-SJORKVTESA-N 1 2 349.431 2.775 10 5 EFBELO CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@@H](CC)C[N@H+]1CC[N+](=O)[O-] ZINC001307482253 1324770570 /nfs/dbraw/zinc/77/05/70/1324770570.db2.gz MBFUIDXHQMIFEK-SJORKVTESA-N 1 2 349.431 2.775 10 5 EFBELO Cc1ccc(C[N@@H+]2CCc3nc(N(C)C)sc3C2)cc1[N+](=O)[O-] ZINC001308048362 1324790270 /nfs/dbraw/zinc/79/02/70/1324790270.db2.gz LVSLQJXDVCGOAP-UHFFFAOYSA-N 1 2 332.429 2.984 10 5 EFBELO Cc1ccc(C[N@H+]2CCc3nc(N(C)C)sc3C2)cc1[N+](=O)[O-] ZINC001308048362 1324790275 /nfs/dbraw/zinc/79/02/75/1324790275.db2.gz LVSLQJXDVCGOAP-UHFFFAOYSA-N 1 2 332.429 2.984 10 5 EFBELO CC[C@H](NC(=O)NCc1cc[nH+]c(NC)c1)c1cccc([N+](=O)[O-])c1 ZINC001312433764 1324986114 /nfs/dbraw/zinc/98/61/14/1324986114.db2.gz XNWDNJJVMNFAGX-HNNXBMFYSA-N 1 2 343.387 2.982 10 5 EFBELO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@H](O)CC[C@@H](O)c1ccccc1)C2 ZINC001332650869 1330995969 /nfs/dbraw/zinc/99/59/69/1330995969.db2.gz RMERNVUYFHGNSN-RTBURBONSA-N 1 2 342.395 2.785 10 5 EFBELO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H](O)CC[C@@H](O)c1ccccc1)C2 ZINC001332650869 1330995974 /nfs/dbraw/zinc/99/59/74/1330995974.db2.gz RMERNVUYFHGNSN-RTBURBONSA-N 1 2 342.395 2.785 10 5 EFBELO COc1cc(C(=O)OCC(C)(C)n2cc[nH+]c2)cc([N+](=O)[O-])c1C ZINC001346609915 1332661607 /nfs/dbraw/zinc/66/16/07/1332661607.db2.gz WLCTVUKUOJYBHA-UHFFFAOYSA-N 1 2 333.344 2.700 10 5 EFBELO CCOc1ccc(C(=O)OCC(C)(C)n2cc[nH+]c2)cc1[N+](=O)[O-] ZINC001349030688 1332897644 /nfs/dbraw/zinc/89/76/44/1332897644.db2.gz BUILCRJWTYOYNE-UHFFFAOYSA-N 1 2 333.344 2.782 10 5 EFBELO CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848753861 1334876125 /nfs/dbraw/zinc/87/61/25/1334876125.db2.gz HWAJMUOFISDANI-RWMBFGLXSA-N 1 2 335.404 2.707 10 5 EFBELO CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848753861 1334876129 /nfs/dbraw/zinc/87/61/29/1334876129.db2.gz HWAJMUOFISDANI-RWMBFGLXSA-N 1 2 335.404 2.707 10 5 EFBELO CO[C@H](COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CCC1 ZINC000849766458 1335742870 /nfs/dbraw/zinc/74/28/70/1335742870.db2.gz JCIBFYBYPQXIBG-MRXNPFEDSA-N 1 2 345.355 2.752 10 5 EFBELO CC1(C)C[C@@H](OC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CO1 ZINC000849793410 1335759594 /nfs/dbraw/zinc/75/95/94/1335759594.db2.gz HOKTZTAVKONWSZ-GFCCVEGCSA-N 1 2 331.328 2.505 10 5 EFBELO CC[N@H+](CCNC(=O)C1CC(F)(F)C1)Cc1csc([N+](=O)[O-])c1 ZINC001492932687 1365637763 /nfs/dbraw/zinc/63/77/63/1365637763.db2.gz AZGFWLBEJYPBHS-UHFFFAOYSA-N 1 2 347.387 2.640 10 5 EFBELO CC[N@@H+](CCNC(=O)C1CC(F)(F)C1)Cc1csc([N+](=O)[O-])c1 ZINC001492932687 1365637770 /nfs/dbraw/zinc/63/77/70/1365637770.db2.gz AZGFWLBEJYPBHS-UHFFFAOYSA-N 1 2 347.387 2.640 10 5 EFBELO O=C(Nc1nccc2c1cccc2[N+](=O)[O-])[C@@H]1CCn2c[nH+]cc2C1 ZINC001457894404 1395383163 /nfs/dbraw/zinc/38/31/63/1395383163.db2.gz QAUHREHVYFVHCF-LLVKDONJSA-N 1 2 337.339 2.541 10 5 EFBELO O=[N+]([O-])c1cc(CO)c(NCCc2cn3ccccc3[nH+]2)cc1F ZINC001458086913 1395405330 /nfs/dbraw/zinc/40/53/30/1395405330.db2.gz VHVJFYMASKRKLX-UHFFFAOYSA-N 1 2 330.319 2.529 10 5 EFBELO CCc1[nH]c(CNc2ncc([N+](=O)[O-])c(C)c2Br)c[nH+]1 ZINC001458672359 1395545571 /nfs/dbraw/zinc/54/55/71/1395545571.db2.gz ZLWQGLPYYDDIGA-UHFFFAOYSA-N 1 2 340.181 2.958 10 5 EFBELO CCc1[nH]cc(CNc2ncc([N+](=O)[O-])c(C)c2Br)[nH+]1 ZINC001458672359 1395545579 /nfs/dbraw/zinc/54/55/79/1395545579.db2.gz ZLWQGLPYYDDIGA-UHFFFAOYSA-N 1 2 340.181 2.958 10 5 EFBELO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCCC[C@@H]2c2ncccn2)cc1 ZINC001460718771 1396246537 /nfs/dbraw/zinc/24/65/37/1396246537.db2.gz UULJVUMOUBUAPU-MRXNPFEDSA-N 1 2 328.372 2.991 10 5 EFBELO O=[N+]([O-])c1ccc(OCC[N@H+]2CCCC[C@@H]2c2ncccn2)cc1 ZINC001460718771 1396246547 /nfs/dbraw/zinc/24/65/47/1396246547.db2.gz UULJVUMOUBUAPU-MRXNPFEDSA-N 1 2 328.372 2.991 10 5 EFBELO Cc1ccccc1[C@@H](CO)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001460778438 1396254838 /nfs/dbraw/zinc/25/48/38/1396254838.db2.gz NCNVWRFZOHFFCC-QGZVFWFLSA-N 1 2 345.355 2.977 10 5 EFBELO Cc1ccccc1[C@@H](CO)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001460778438 1396254844 /nfs/dbraw/zinc/25/48/44/1396254844.db2.gz NCNVWRFZOHFFCC-QGZVFWFLSA-N 1 2 345.355 2.977 10 5 EFBELO O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001464758612 1396603219 /nfs/dbraw/zinc/60/32/19/1396603219.db2.gz ZVIPYFHTBWGFBL-GFCCVEGCSA-N 1 2 348.790 2.920 10 5 EFBELO O=C(NCc1[nH]c2c([nH+]1)CCCC2)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001472064691 1397242640 /nfs/dbraw/zinc/24/26/40/1397242640.db2.gz 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HAGUMCPHNKPNCC-JIMOISOXSA-N 1 2 325.315 2.509 10 5 EFBELO CCNc1nc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cs1 ZINC001653494270 1101626820 /nfs/dbraw/zinc/62/68/20/1101626820.db2.gz LWGFSDLLYKHZEF-UHFFFAOYSA-N 1 2 336.421 2.517 10 5 EFBELO C[C@@H]1C[N@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])[C@H](C)CCO1 ZINC001655119974 1101787922 /nfs/dbraw/zinc/78/79/22/1101787922.db2.gz GTICRYNVNNUMKD-GHMZBOCLSA-N 1 2 341.795 2.686 10 5 EFBELO C[C@@H]1C[N@@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])[C@H](C)CCO1 ZINC001655119974 1101787931 /nfs/dbraw/zinc/78/79/31/1101787931.db2.gz GTICRYNVNNUMKD-GHMZBOCLSA-N 1 2 341.795 2.686 10 5 EFBELO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCCC[C@]12CCCOC2 ZINC001656573845 1102124626 /nfs/dbraw/zinc/12/46/26/1102124626.db2.gz IFNJPBLGUMIPPN-GOSISDBHSA-N 1 2 347.415 2.877 10 5 EFBELO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCCC[C@]12CCCOC2 ZINC001656573845 1102124631 /nfs/dbraw/zinc/12/46/31/1102124631.db2.gz IFNJPBLGUMIPPN-GOSISDBHSA-N 1 2 347.415 2.877 10 5 EFBELO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH2+]Cc1nc(C(F)(F)F)n[nH]1 ZINC001660956511 1103041158 /nfs/dbraw/zinc/04/11/58/1103041158.db2.gz PTMIIBDTBYUUJQ-UITAMQMPSA-N 1 2 341.293 2.925 10 5 EFBELO CC(C)(C)OC[C@@H]1CCC[N@@H+]1Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000905729757 1103566703 /nfs/dbraw/zinc/56/67/03/1103566703.db2.gz IGTHSAHEAOARMQ-ZDUSSCGKSA-N 1 2 349.387 2.740 10 5 EFBELO CC(C)(C)OC[C@@H]1CCC[N@H+]1Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000905729757 1103566712 /nfs/dbraw/zinc/56/67/12/1103566712.db2.gz IGTHSAHEAOARMQ-ZDUSSCGKSA-N 1 2 349.387 2.740 10 5 EFBELO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000898898740 1109121895 /nfs/dbraw/zinc/12/18/95/1109121895.db2.gz AXGUWPLEFSXTPN-GFCCVEGCSA-N 1 2 348.428 2.823 10 5 EFBELO CSc1ccc([N+](=O)[O-])c(C(=O)NCC(C)(C)n2cc[nH+]c2)c1 ZINC000898899196 1109122801 /nfs/dbraw/zinc/12/28/01/1109122801.db2.gz JWORGYCDMXPYAY-UHFFFAOYSA-N 1 2 334.401 2.678 10 5 EFBELO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000898907417 1109129142 /nfs/dbraw/zinc/12/91/42/1109129142.db2.gz WSVZESGQJMWKSW-OAHLLOKOSA-N 1 2 344.415 2.912 10 5 EFBELO CC(C)(CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)n1cc[nH+]c1 ZINC000898911150 1109131044 /nfs/dbraw/zinc/13/10/44/1109131044.db2.gz LXCQKRZSZIYYLG-UHFFFAOYSA-N 1 2 342.399 2.765 10 5 EFBELO CCc1nc(C2([NH2+]C[C@H](O)c3cccc([N+](=O)[O-])c3)CCCC2)no1 ZINC000154379459 529731311 /nfs/dbraw/zinc/73/13/11/529731311.db2.gz LMIZJIMCPKXMEE-AWEZNQCLSA-N 1 2 346.387 2.633 10 5 EFBELO Cc1cc2[nH+]cn(-c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])c2cc1C ZINC000003443301 210042064 /nfs/dbraw/zinc/04/20/64/210042064.db2.gz IZSFYKYBSHJRNW-UHFFFAOYSA-N 1 2 345.380 2.954 10 5 EFBELO CCOc1ccc(C(=O)N[C@@H](c2[nH+]ccn2C)C(C)C)cc1[N+](=O)[O-] ZINC000040114430 213269027 /nfs/dbraw/zinc/26/90/27/213269027.db2.gz NLKHPSXYWCNCKW-OAHLLOKOSA-N 1 2 346.387 2.854 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(Cc2cccnc2)CC1 ZINC000183662483 235187341 /nfs/dbraw/zinc/18/73/41/235187341.db2.gz XUFRRYPFAVEVTJ-UHFFFAOYSA-N 1 2 326.400 2.616 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1CN1CC[NH+](Cc2cccnc2)CC1 ZINC000183662483 235187345 /nfs/dbraw/zinc/18/73/45/235187345.db2.gz XUFRRYPFAVEVTJ-UHFFFAOYSA-N 1 2 326.400 2.616 10 5 EFBELO Cc1nccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Br)n1 ZINC000038037919 213196228 /nfs/dbraw/zinc/19/62/28/213196228.db2.gz KDAIZYYWNQIVTN-UHFFFAOYSA-N 1 2 337.177 2.746 10 5 EFBELO CCS(=O)(=O)C1CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000193228143 240066324 /nfs/dbraw/zinc/06/63/24/240066324.db2.gz CRTZXSHAUJDLQJ-LBPRGKRZSA-N 1 2 326.418 2.555 10 5 EFBELO C[C@H]1CN(c2ccc(CNc3ncc([N+](=O)[O-])s3)c[nH+]2)C[C@H](C)O1 ZINC000195508999 240228841 /nfs/dbraw/zinc/22/88/41/240228841.db2.gz DIJNUURPQRNRNR-QWRGUYRKSA-N 1 2 349.416 2.672 10 5 EFBELO O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000412175856 243183663 /nfs/dbraw/zinc/18/36/63/243183663.db2.gz JPSCFOXHLUJTBF-JKSUJKDBSA-N 1 2 340.383 2.828 10 5 EFBELO O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000412175856 243183668 /nfs/dbraw/zinc/18/36/68/243183668.db2.gz JPSCFOXHLUJTBF-JKSUJKDBSA-N 1 2 340.383 2.828 10 5 EFBELO Cc1cc(C)n(C[C@@H]2C[N@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)CCO2)n1 ZINC000247009487 243352903 /nfs/dbraw/zinc/35/29/03/243352903.db2.gz BYTKOEWJHRWSKC-QAPCUYQASA-N 1 2 344.415 2.870 10 5 EFBELO Cc1cc(C)n(C[C@@H]2C[N@@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)CCO2)n1 ZINC000247009487 243352915 /nfs/dbraw/zinc/35/29/15/243352915.db2.gz BYTKOEWJHRWSKC-QAPCUYQASA-N 1 2 344.415 2.870 10 5 EFBELO Cc1noc(CCNc2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)n1 ZINC000264926860 247052674 /nfs/dbraw/zinc/05/26/74/247052674.db2.gz NUUTYMIAYYPPBI-UHFFFAOYSA-N 1 2 340.343 2.706 10 5 EFBELO Cc1nc([C@](C)([NH2+]CCOc2ccccc2[N+](=O)[O-])C2CC2)no1 ZINC000433298479 248039791 /nfs/dbraw/zinc/03/97/91/248039791.db2.gz ZMRDZZPSPQHCHE-MRXNPFEDSA-N 1 2 332.360 2.580 10 5 EFBELO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ncc(Br)cn1 ZINC000432993268 248007599 /nfs/dbraw/zinc/00/75/99/248007599.db2.gz LEWXNSNTJMRWAA-SECBINFHSA-N 1 2 337.177 2.998 10 5 EFBELO CSCCCCNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447818237 250615479 /nfs/dbraw/zinc/61/54/79/250615479.db2.gz VWBXLIVQWMGKQN-UHFFFAOYSA-N 1 2 339.461 2.982 10 5 EFBELO O=[N+]([O-])c1cnc(Sc2nnc(C[NH+]3CCCC3)o2)c(Cl)c1 ZINC000095398897 218331859 /nfs/dbraw/zinc/33/18/59/218331859.db2.gz WKZOBCQHCMEPTO-UHFFFAOYSA-N 1 2 341.780 2.773 10 5 EFBELO CCCc1ncc(C[NH2+]Cc2cc(OC)c(OC)cc2[N+](=O)[O-])o1 ZINC000449614378 251083582 /nfs/dbraw/zinc/08/35/82/251083582.db2.gz VIGASYUWLWNDQN-UHFFFAOYSA-N 1 2 335.360 2.842 10 5 EFBELO COC(=O)Cc1ccc(NCc2[nH+]ccn2CC(C)C)c([N+](=O)[O-])c1 ZINC000450346953 251354651 /nfs/dbraw/zinc/35/46/51/251354651.db2.gz GDWJDBZLUVUUEO-UHFFFAOYSA-N 1 2 346.387 2.775 10 5 EFBELO O=[N+]([O-])c1ccc(C[N@H+]2CCOC[C@H]2C[C@@H](O)c2ccco2)cc1 ZINC000268622307 252076226 /nfs/dbraw/zinc/07/62/26/252076226.db2.gz BTAFHQKHJYCIEX-HZPDHXFCSA-N 1 2 332.356 2.512 10 5 EFBELO O=[N+]([O-])c1ccc(C[N@@H+]2CCOC[C@H]2C[C@@H](O)c2ccco2)cc1 ZINC000268622307 252076229 /nfs/dbraw/zinc/07/62/29/252076229.db2.gz BTAFHQKHJYCIEX-HZPDHXFCSA-N 1 2 332.356 2.512 10 5 EFBELO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCCN(c2ncccc2F)CC1 ZINC000363894899 285118202 /nfs/dbraw/zinc/11/82/02/285118202.db2.gz CYAOWNGJIDMILE-UHFFFAOYSA-N 1 2 348.353 2.980 10 5 EFBELO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCCN(c2ncccc2F)CC1 ZINC000363894899 285118207 /nfs/dbraw/zinc/11/82/07/285118207.db2.gz CYAOWNGJIDMILE-UHFFFAOYSA-N 1 2 348.353 2.980 10 5 EFBELO O=[N+]([O-])c1cnccc1NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000337333557 141574535 /nfs/dbraw/zinc/57/45/35/141574535.db2.gz ZAVFTOLUDZMTAZ-UHFFFAOYSA-N 1 2 327.388 2.799 10 5 EFBELO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000347990894 142305031 /nfs/dbraw/zinc/30/50/31/142305031.db2.gz OIYRYHYJNBQESV-CQSZACIVSA-N 1 2 325.328 2.777 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)CC(=O)NCc1ccccc1 ZINC000349970454 142385408 /nfs/dbraw/zinc/38/54/08/142385408.db2.gz ISXHLWOFWBULNY-UHFFFAOYSA-N 1 2 327.384 2.651 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CC(=O)NCc1ccccc1 ZINC000349970454 142385410 /nfs/dbraw/zinc/38/54/10/142385410.db2.gz ISXHLWOFWBULNY-UHFFFAOYSA-N 1 2 327.384 2.651 10 5 EFBELO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000342374465 145111475 /nfs/dbraw/zinc/11/14/75/145111475.db2.gz UBWATVJNQIHPGB-LBPRGKRZSA-N 1 2 346.362 2.581 10 5 EFBELO O=C(c1c[nH]c2cccc([N+](=O)[O-])c21)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000342899394 145218013 /nfs/dbraw/zinc/21/80/13/145218013.db2.gz GTSSWEFYUTZDJE-UHFFFAOYSA-N 1 2 339.355 2.819 10 5 EFBELO Cc1cc(NCC[C@@H]2CCOC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000343875692 145313980 /nfs/dbraw/zinc/31/39/80/145313980.db2.gz NSMFXRQTVVQTSP-CYBMUJFWSA-N 1 2 328.372 2.621 10 5 EFBELO O=C(NCc1cn2cc(Cl)ccc2[nH+]1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344182744 145386284 /nfs/dbraw/zinc/38/62/84/145386284.db2.gz VMQYRKGGBFWHHC-UHFFFAOYSA-N 1 2 348.721 2.965 10 5 EFBELO Cc1cn2cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3C)ccc2[nH+]1 ZINC000350728413 146084373 /nfs/dbraw/zinc/08/43/73/146084373.db2.gz BKBZXPMOAJWOFM-UHFFFAOYSA-N 1 2 346.368 2.660 10 5 EFBELO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000351964132 146250106 /nfs/dbraw/zinc/25/01/06/146250106.db2.gz JUVBITMUDVEKDO-ZDUSSCGKSA-N 1 2 335.404 2.685 10 5 EFBELO CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000351964132 146250107 /nfs/dbraw/zinc/25/01/07/146250107.db2.gz JUVBITMUDVEKDO-ZDUSSCGKSA-N 1 2 335.404 2.685 10 5 EFBELO COc1cc(C[NH+]2CCN(c3ccccc3O)CC2)ccc1[N+](=O)[O-] ZINC000351977226 146253145 /nfs/dbraw/zinc/25/31/45/146253145.db2.gz GXIIWTNJHPXMDF-UHFFFAOYSA-N 1 2 343.383 2.631 10 5 EFBELO O=[N+]([O-])c1ccc(-c2nnc(C[NH2+][C@H](CO)c3ccsc3)o2)cc1 ZINC000352021596 146266953 /nfs/dbraw/zinc/26/69/53/146266953.db2.gz MGXZWHZOYSBMEQ-CYBMUJFWSA-N 1 2 346.368 2.530 10 5 EFBELO C[C@@H]1C[C@]2(CCO1)C[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])C[C@H](C)O2 ZINC000373965841 151259005 /nfs/dbraw/zinc/25/90/05/151259005.db2.gz ALGDWLVSVUUKBN-IIYDPXPESA-N 1 2 338.379 2.892 10 5 EFBELO C[C@@H]1C[C@]2(CCO1)C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])C[C@H](C)O2 ZINC000373965841 151259007 /nfs/dbraw/zinc/25/90/07/151259007.db2.gz ALGDWLVSVUUKBN-IIYDPXPESA-N 1 2 338.379 2.892 10 5 EFBELO C[C@@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)C[C@]2(CCO[C@H](C)C2)O1 ZINC000374015534 151268519 /nfs/dbraw/zinc/26/85/19/151268519.db2.gz WBPWVEBFGKWLOT-LALPHHSUSA-N 1 2 326.418 2.815 10 5 EFBELO C[C@@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)C[C@]2(CCO[C@H](C)C2)O1 ZINC000374015534 151268522 /nfs/dbraw/zinc/26/85/22/151268522.db2.gz WBPWVEBFGKWLOT-LALPHHSUSA-N 1 2 326.418 2.815 10 5 EFBELO O=[N+]([O-])c1ccc2nc(NCc3cccnc3-n3cc[nH+]c3)ccc2c1 ZINC000378012458 151988638 /nfs/dbraw/zinc/98/86/38/151988638.db2.gz VYKMXFJOOCVYGQ-UHFFFAOYSA-N 1 2 346.350 2.758 10 5 EFBELO Cc1nn(C)c(C)c1[C@@H]1COCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000378391056 152074072 /nfs/dbraw/zinc/07/40/72/152074072.db2.gz QWSOQFKJGUHQEI-KRWDZBQOSA-N 1 2 344.415 2.561 10 5 EFBELO Cc1nn(C)c(C)c1[C@@H]1COCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000378391056 152074076 /nfs/dbraw/zinc/07/40/76/152074076.db2.gz QWSOQFKJGUHQEI-KRWDZBQOSA-N 1 2 344.415 2.561 10 5 EFBELO C[C@H]1C[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCS1 ZINC000171702144 227230118 /nfs/dbraw/zinc/23/01/18/227230118.db2.gz MAJINWXMBRCLQJ-VIFPVBQESA-N 1 2 329.809 2.624 10 5 EFBELO C[C@H]1C[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCS1 ZINC000171702144 227230125 /nfs/dbraw/zinc/23/01/25/227230125.db2.gz MAJINWXMBRCLQJ-VIFPVBQESA-N 1 2 329.809 2.624 10 5 EFBELO C[C@@H](NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccccc1[N+](=O)[O-] ZINC000271749110 266053889 /nfs/dbraw/zinc/05/38/89/266053889.db2.gz RZVYNEQQHSLPIH-OLZOCXBDSA-N 1 2 343.387 2.968 10 5 EFBELO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000280787498 273366725 /nfs/dbraw/zinc/36/67/25/273366725.db2.gz NYIHCMXFAWYQTF-GFCCVEGCSA-N 1 2 335.404 2.541 10 5 EFBELO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000280787498 273366727 /nfs/dbraw/zinc/36/67/27/273366727.db2.gz NYIHCMXFAWYQTF-GFCCVEGCSA-N 1 2 335.404 2.541 10 5 EFBELO O=[N+]([O-])c1cc(C[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)c2c(c1)COCO2 ZINC000114483933 280356959 /nfs/dbraw/zinc/35/69/59/280356959.db2.gz IJNKQAPPQSEYKH-MRXNPFEDSA-N 1 2 344.371 2.912 10 5 EFBELO O=[N+]([O-])c1cc(C[N@H+]2CCCC[C@@H]2c2cn[nH]c2)c2c(c1)COCO2 ZINC000114483933 280356960 /nfs/dbraw/zinc/35/69/60/280356960.db2.gz IJNKQAPPQSEYKH-MRXNPFEDSA-N 1 2 344.371 2.912 10 5 EFBELO Cc1nc(N2CCN(Cc3c(Cl)cccc3[N+](=O)[O-])CC2)cc[nH+]1 ZINC000120883712 292934632 /nfs/dbraw/zinc/93/46/32/292934632.db2.gz DEPDAKAWPFZPPQ-UHFFFAOYSA-N 1 2 347.806 2.669 10 5 EFBELO COC(=O)c1cccc(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000153156030 293363131 /nfs/dbraw/zinc/36/31/31/293363131.db2.gz VMDSVAPAMHYHQC-UHFFFAOYSA-N 1 2 326.352 2.940 10 5 EFBELO COC(=O)c1cccc(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000153156030 293363132 /nfs/dbraw/zinc/36/31/32/293363132.db2.gz VMDSVAPAMHYHQC-UHFFFAOYSA-N 1 2 326.352 2.940 10 5 EFBELO O=[N+]([O-])c1cccc2c1CCN(Cc1[nH+]ccn1CC(F)(F)F)C2 ZINC000153171809 293363810 /nfs/dbraw/zinc/36/38/10/293363810.db2.gz FIBADGRNQNXIGQ-UHFFFAOYSA-N 1 2 340.305 2.912 10 5 EFBELO C[C@@H](C(=O)NCc1cccs1)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153238336 293366669 /nfs/dbraw/zinc/36/66/69/293366669.db2.gz ALKLZUQUHAKXQS-LBPRGKRZSA-N 1 2 345.424 2.719 10 5 EFBELO C[C@@H](C(=O)NCc1cccs1)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153238336 293366671 /nfs/dbraw/zinc/36/66/71/293366671.db2.gz ALKLZUQUHAKXQS-LBPRGKRZSA-N 1 2 345.424 2.719 10 5 EFBELO CCOCc1nc([C@@H](C)[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])no1 ZINC000290889494 294213117 /nfs/dbraw/zinc/21/31/17/294213117.db2.gz LFJHMSNDEFHAJM-WAFBPQNNSA-N 1 2 332.360 2.878 10 5 EFBELO Cc1nc(N2CCC[C@@H]2c2[nH+]c3c(n2C)CCCC3)ncc1[N+](=O)[O-] ZINC000294827198 295233456 /nfs/dbraw/zinc/23/34/56/295233456.db2.gz AITHVPBGRJFLKN-CQSZACIVSA-N 1 2 342.403 2.647 10 5 EFBELO CCn1cc[nH+]c1CNc1c2ccc(OC)cc2ncc1[N+](=O)[O-] ZINC000294879310 295240123 /nfs/dbraw/zinc/24/01/23/295240123.db2.gz BUDFUHMBIMVCQL-UHFFFAOYSA-N 1 2 327.344 2.980 10 5 EFBELO O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000295353109 295305848 /nfs/dbraw/zinc/30/58/48/295305848.db2.gz VPGPWBLTIOHMJC-UHFFFAOYSA-N 1 2 334.763 2.991 10 5 EFBELO CC[C@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1nccs1 ZINC000161163327 310706744 /nfs/dbraw/zinc/70/67/44/310706744.db2.gz JTVGLONQKAGMCE-UONOGXRCSA-N 1 2 346.412 2.898 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000299616054 311102945 /nfs/dbraw/zinc/10/29/45/311102945.db2.gz JHCQOVZHMVGLNY-UHFFFAOYSA-N 1 2 340.383 2.828 10 5 EFBELO Cc1cc(N(C)C[C@H]2CCCO2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000301266175 311128191 /nfs/dbraw/zinc/12/81/91/311128191.db2.gz WFTHNFCFAFCDRY-OAHLLOKOSA-N 1 2 328.372 2.975 10 5 EFBELO Cc1cc(N(C)Cc2cnccn2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301816371 311160188 /nfs/dbraw/zinc/16/01/88/311160188.db2.gz HEDZOIVMSNWNJA-UHFFFAOYSA-N 1 2 336.355 2.787 10 5 EFBELO C[C@H](c1ccccc1Cl)[NH+]1CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000302158689 311181480 /nfs/dbraw/zinc/18/14/80/311181480.db2.gz NZNXJJSJFXYRIB-GFCCVEGCSA-N 1 2 347.806 2.921 10 5 EFBELO Cc1cc(N(C)CC2(CO)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000302513575 311192277 /nfs/dbraw/zinc/19/22/77/311192277.db2.gz ULQXNXYJFNFFLT-UHFFFAOYSA-N 1 2 328.372 2.569 10 5 EFBELO Cc1noc(C)c1C[NH+]1CCN(c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000302788849 311201412 /nfs/dbraw/zinc/20/14/12/311201412.db2.gz DDBXWSYMBNXTDZ-UHFFFAOYSA-N 1 2 334.351 2.661 10 5 EFBELO Cc1cc(N2C[C@H](O)CC[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000420647468 312379006 /nfs/dbraw/zinc/37/90/06/312379006.db2.gz YZHYJNHMHSQRHU-IUODEOHRSA-N 1 2 328.372 2.710 10 5 EFBELO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000430221292 312545247 /nfs/dbraw/zinc/54/52/47/312545247.db2.gz SLSXZCIMYGYIRX-UHFFFAOYSA-N 1 2 327.384 2.926 10 5 EFBELO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(C(=O)C(C)C)CC1 ZINC000470171817 313129588 /nfs/dbraw/zinc/12/95/88/313129588.db2.gz PBEPOQGVCPIVTD-PTNGSMBKSA-N 1 2 331.416 2.798 10 5 EFBELO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1ccc([N+](=O)[O-])cn1 ZINC000531884219 317327345 /nfs/dbraw/zinc/32/73/45/317327345.db2.gz HRXPINFNIJJXFC-UHFFFAOYSA-N 1 2 347.400 2.685 10 5 EFBELO C[C@H](C(=O)N(C)c1ccc[nH+]c1N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000555737471 318367653 /nfs/dbraw/zinc/36/76/53/318367653.db2.gz AAAZMSMNUZFTJX-LBPRGKRZSA-N 1 2 328.372 2.822 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN([C@H](C)C(F)(F)F)CC1 ZINC000183390625 323332815 /nfs/dbraw/zinc/33/28/15/323332815.db2.gz CEEJQWIZUAAJRG-GFCCVEGCSA-N 1 2 331.338 2.972 10 5 EFBELO Cc1csc([C@@H](C)[NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)n1 ZINC000184203474 323358525 /nfs/dbraw/zinc/35/85/25/323358525.db2.gz OAFRQZWPPKWIKJ-LLVKDONJSA-N 1 2 346.412 2.600 10 5 EFBELO O=C(NCc1cc[nH+]c(NC2CC2)c1)Nc1cccc([N+](=O)[O-])c1 ZINC000095467254 473210330 /nfs/dbraw/zinc/21/03/30/473210330.db2.gz NHNUJFBKLOMLHN-UHFFFAOYSA-N 1 2 327.344 2.886 10 5 EFBELO CC[C@@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1nccs1 ZINC000161163666 473213009 /nfs/dbraw/zinc/21/30/09/473213009.db2.gz JTVGLONQKAGMCE-KGLIPLIRSA-N 1 2 346.412 2.898 10 5 EFBELO CCC(=O)N[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000163512524 473450791 /nfs/dbraw/zinc/45/07/91/473450791.db2.gz UPIXVJCCJXLYNE-NSHDSACASA-N 1 2 325.796 2.739 10 5 EFBELO Cc1ccc([C@H](C)NC(=O)Nc2cc[nH+]cc2N(C)C)cc1[N+](=O)[O-] ZINC000619808009 479888875 /nfs/dbraw/zinc/88/88/75/479888875.db2.gz VVWICCKWPXRHBW-LBPRGKRZSA-N 1 2 343.387 2.669 10 5 EFBELO COc1ccccc1C[N@H+](C)CC(=O)Nc1ccc(C)cc1[N+](=O)[O-] ZINC000006786516 471569461 /nfs/dbraw/zinc/56/94/61/471569461.db2.gz VCPGQJOGRKJDSD-UHFFFAOYSA-N 1 2 343.383 2.982 10 5 EFBELO COc1ccccc1C[N@@H+](C)CC(=O)Nc1ccc(C)cc1[N+](=O)[O-] ZINC000006786516 471569468 /nfs/dbraw/zinc/56/94/68/471569468.db2.gz VCPGQJOGRKJDSD-UHFFFAOYSA-N 1 2 343.383 2.982 10 5 EFBELO CCOc1ccc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000075556778 472157049 /nfs/dbraw/zinc/15/70/49/472157049.db2.gz VJWHYYLYCFEIIX-ZDUSSCGKSA-N 1 2 344.371 2.736 10 5 EFBELO Cc1ccc(C(=O)NCc2[nH+]ccn2CC(F)(F)F)cc1[N+](=O)[O-] ZINC000075711526 472187383 /nfs/dbraw/zinc/18/73/83/472187383.db2.gz QYCJQRYAKIGAAW-UHFFFAOYSA-N 1 2 342.277 2.592 10 5 EFBELO Cc1ccn2cc(CNC(=O)Nc3cccc([N+](=O)[O-])c3)[nH+]c2c1 ZINC000056358563 472311825 /nfs/dbraw/zinc/31/18/25/472311825.db2.gz COTHYINJEUVKMQ-UHFFFAOYSA-N 1 2 325.328 2.873 10 5 EFBELO O=C(NCc1cn2cc(Cl)ccc2[nH+]1)c1csc([N+](=O)[O-])c1 ZINC000045079293 472370736 /nfs/dbraw/zinc/37/07/36/472370736.db2.gz CNMOABXEDDKMJA-UHFFFAOYSA-N 1 2 336.760 2.887 10 5 EFBELO C[C@H]1CN(c2ccc(CNc3ccc([N+](=O)[O-])nc3)c[nH+]2)C[C@H](C)O1 ZINC000076777198 472401401 /nfs/dbraw/zinc/40/14/01/472401401.db2.gz RRVZFMCVBCKHCO-STQMWFEESA-N 1 2 343.387 2.611 10 5 EFBELO CSc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc[nH+]c2N(C)C)c1 ZINC000032688783 472454901 /nfs/dbraw/zinc/45/49/01/472454901.db2.gz MWCIWFDEZVYZJR-UHFFFAOYSA-N 1 2 346.412 2.708 10 5 EFBELO Cc1c(C(=O)NC2CCN(c3cccc[nH+]3)CC2)cccc1[N+](=O)[O-] ZINC000046616671 472576370 /nfs/dbraw/zinc/57/63/70/472576370.db2.gz VEGYNNWTTYVRCR-UHFFFAOYSA-N 1 2 340.383 2.697 10 5 EFBELO CCOc1ccc(C(=O)NCc2[nH+]ccn2CC(C)C)cc1[N+](=O)[O-] ZINC000131342001 472666076 /nfs/dbraw/zinc/66/60/76/472666076.db2.gz ZXXQZFQCSCQMIS-UHFFFAOYSA-N 1 2 346.387 2.776 10 5 EFBELO CC(C)Cn1cc[nH+]c1CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000131476946 472673195 /nfs/dbraw/zinc/67/31/95/472673195.db2.gz WALFEEWJSQLLBS-UHFFFAOYSA-N 1 2 341.371 2.859 10 5 EFBELO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1ccc3c(c1)OCCO3)CC2 ZINC000131536407 472676948 /nfs/dbraw/zinc/67/69/48/472676948.db2.gz KEQPIWXJHPDLBS-UHFFFAOYSA-N 1 2 326.352 2.924 10 5 EFBELO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1ccc3c(c1)OCCO3)CC2 ZINC000131536407 472676956 /nfs/dbraw/zinc/67/69/56/472676956.db2.gz KEQPIWXJHPDLBS-UHFFFAOYSA-N 1 2 326.352 2.924 10 5 EFBELO Cc1ccc([C@H](C[NH+]2CCOCC2)Nc2ccc([N+](=O)[O-])nc2)cc1 ZINC000078596605 472740985 /nfs/dbraw/zinc/74/09/85/472740985.db2.gz HRLAEECRXUUFPA-KRWDZBQOSA-N 1 2 342.399 2.784 10 5 EFBELO C[C@H](c1cccc([N+](=O)[O-])c1)S(=O)(=O)Cc1cn2ccccc2[nH+]1 ZINC000105714561 472769679 /nfs/dbraw/zinc/76/96/79/472769679.db2.gz APNUFBZPABDNPM-GFCCVEGCSA-N 1 2 345.380 2.919 10 5 EFBELO O=C(Cn1cc[nH+]c1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000073276344 472792104 /nfs/dbraw/zinc/79/21/04/472792104.db2.gz DOXFJVFRHRWIDT-UHFFFAOYSA-N 1 2 329.341 2.554 10 5 EFBELO Cc1cnn(CCNc2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000108948933 473069530 /nfs/dbraw/zinc/06/95/30/473069530.db2.gz IFCVBKIQFILWFW-UHFFFAOYSA-N 1 2 338.371 2.977 10 5 EFBELO C[C@H]1CN(c2cc(CNc3ccc([N+](=O)[O-])cc3)cc[nH+]2)CCO1 ZINC000075092151 473122050 /nfs/dbraw/zinc/12/20/50/473122050.db2.gz JEBQMRJJDAAQSH-ZDUSSCGKSA-N 1 2 328.372 2.827 10 5 EFBELO Cc1cccn2cc(CNC(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)[nH+]c12 ZINC000110798507 473176450 /nfs/dbraw/zinc/17/64/50/473176450.db2.gz YIUDKQYIVIELBL-UHFFFAOYSA-N 1 2 349.350 2.962 10 5 EFBELO CC[C@H]([NH2+][C@@H]1CCCn2nc(COC)nc21)c1cccc([N+](=O)[O-])c1 ZINC000125326066 473395183 /nfs/dbraw/zinc/39/51/83/473395183.db2.gz UWIDZVPBFRAWKK-LSDHHAIUSA-N 1 2 345.403 2.909 10 5 EFBELO Cc1ccc(Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)c(C)[nH+]1 ZINC000185361735 473405497 /nfs/dbraw/zinc/40/54/97/473405497.db2.gz WSAKRNMLFXUAAX-UHFFFAOYSA-N 1 2 336.351 2.879 10 5 EFBELO Cc1sc(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000125691911 473447331 /nfs/dbraw/zinc/44/73/31/473447331.db2.gz FFYHWIPMXPYJGO-MFKMUULPSA-N 1 2 334.401 2.885 10 5 EFBELO CCC(=O)N[C@H]1CCC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000163512524 473450786 /nfs/dbraw/zinc/45/07/86/473450786.db2.gz UPIXVJCCJXLYNE-NSHDSACASA-N 1 2 325.796 2.739 10 5 EFBELO CN(C(=O)C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1)c1ccc([N+](=O)[O-])cc1 ZINC000114483887 473475124 /nfs/dbraw/zinc/47/51/24/473475124.db2.gz BAAPKKBHXKZILJ-MRXNPFEDSA-N 1 2 343.387 2.508 10 5 EFBELO CN(C(=O)C[N@H+]1CCCC[C@@H]1c1cn[nH]c1)c1ccc([N+](=O)[O-])cc1 ZINC000114483887 473475125 /nfs/dbraw/zinc/47/51/25/473475125.db2.gz BAAPKKBHXKZILJ-MRXNPFEDSA-N 1 2 343.387 2.508 10 5 EFBELO O=C(Nc1cccc([N+](=O)[O-])c1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186041012 473577515 /nfs/dbraw/zinc/57/75/15/473577515.db2.gz NBCRSZCJFSOSBV-UHFFFAOYSA-N 1 2 341.371 2.734 10 5 EFBELO O=C(C[N@@H+]1CCC[C@H]1c1ccco1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000116290546 473646933 /nfs/dbraw/zinc/64/69/33/473646933.db2.gz JMWNOHVSWRRCOT-HNNXBMFYSA-N 1 2 341.367 2.914 10 5 EFBELO O=C(C[N@H+]1CCC[C@H]1c1ccco1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000116290546 473646940 /nfs/dbraw/zinc/64/69/40/473646940.db2.gz JMWNOHVSWRRCOT-HNNXBMFYSA-N 1 2 341.367 2.914 10 5 EFBELO C[C@H]1CCN(c2ncnc3sc([N+](=O)[O-])cc32)C[C@H]1n1cc[nH+]c1 ZINC000287720930 473743388 /nfs/dbraw/zinc/74/33/88/473743388.db2.gz FIJQLXBFAUAHJK-CMPLNLGQSA-N 1 2 344.400 2.884 10 5 EFBELO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC=C(Br)C2)c1 ZINC000281538836 473757456 /nfs/dbraw/zinc/75/74/56/473757456.db2.gz AYCJIKWPLBMFGT-ZDUSSCGKSA-N 1 2 327.178 2.613 10 5 EFBELO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC=C(Br)C2)c1 ZINC000281538836 473757463 /nfs/dbraw/zinc/75/74/63/473757463.db2.gz AYCJIKWPLBMFGT-ZDUSSCGKSA-N 1 2 327.178 2.613 10 5 EFBELO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCO[C@H](c3cccs3)C2)c1 ZINC000269654222 473853515 /nfs/dbraw/zinc/85/35/15/473853515.db2.gz NXVUHTONBUVCAV-CABCVRRESA-N 1 2 334.397 2.763 10 5 EFBELO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCO[C@H](c3cccs3)C2)c1 ZINC000269654222 473853521 /nfs/dbraw/zinc/85/35/21/473853521.db2.gz NXVUHTONBUVCAV-CABCVRRESA-N 1 2 334.397 2.763 10 5 EFBELO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCO[C@@H](c3ccsc3)C2)c1 ZINC000269676403 473857205 /nfs/dbraw/zinc/85/72/05/473857205.db2.gz WNROJBIPUKLFND-JKSUJKDBSA-N 1 2 334.397 2.763 10 5 EFBELO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCO[C@@H](c3ccsc3)C2)c1 ZINC000269676403 473857211 /nfs/dbraw/zinc/85/72/11/473857211.db2.gz WNROJBIPUKLFND-JKSUJKDBSA-N 1 2 334.397 2.763 10 5 EFBELO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173932742 473960355 /nfs/dbraw/zinc/96/03/55/473960355.db2.gz INQBWRCCDUGEAA-LLVKDONJSA-N 1 2 326.312 2.865 10 5 EFBELO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000182806929 474260367 /nfs/dbraw/zinc/26/03/67/474260367.db2.gz FHKJGUFBEWNKQR-OZYJXZHSSA-N 1 2 328.372 2.647 10 5 EFBELO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000265610172 474268020 /nfs/dbraw/zinc/26/80/20/474268020.db2.gz WVKAFZFOQCHOOA-UHFFFAOYSA-N 1 2 348.790 2.920 10 5 EFBELO CO[C@H]1C[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC[C@@H]1C ZINC000189268459 474342842 /nfs/dbraw/zinc/34/28/42/474342842.db2.gz QXQIXAWRDKUURS-HZMBPMFUSA-N 1 2 341.795 2.544 10 5 EFBELO CO[C@H]1C[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC[C@@H]1C ZINC000189268459 474342849 /nfs/dbraw/zinc/34/28/49/474342849.db2.gz QXQIXAWRDKUURS-HZMBPMFUSA-N 1 2 341.795 2.544 10 5 EFBELO COc1cc(C[NH+]2CCC(c3ccn[nH]3)CC2)c([N+](=O)[O-])cc1F ZINC000184193857 474484208 /nfs/dbraw/zinc/48/42/08/474484208.db2.gz OUDKTFVGWXVRMN-UHFFFAOYSA-N 1 2 334.351 2.845 10 5 EFBELO O=[N+]([O-])c1cnc2ccccc2c1N1CC[NH+](Cc2cccnc2)CC1 ZINC000291566613 474620458 /nfs/dbraw/zinc/62/04/58/474620458.db2.gz DEWAIBBTNZWCBK-UHFFFAOYSA-N 1 2 349.394 2.860 10 5 EFBELO CO[C@@H]1C[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[C@@H]1C ZINC000251433211 474635820 /nfs/dbraw/zinc/63/58/20/474635820.db2.gz APMACTWLZBKSFL-IINYFYTJSA-N 1 2 341.795 2.544 10 5 EFBELO CO[C@@H]1C[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[C@@H]1C ZINC000251433211 474635823 /nfs/dbraw/zinc/63/58/23/474635823.db2.gz APMACTWLZBKSFL-IINYFYTJSA-N 1 2 341.795 2.544 10 5 EFBELO C[N@H+](CC(=O)NC(C)(C)C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000338919799 474732747 /nfs/dbraw/zinc/73/27/47/474732747.db2.gz PMUUGQYIIULWIG-UHFFFAOYSA-N 1 2 347.337 2.960 10 5 EFBELO C[N@@H+](CC(=O)NC(C)(C)C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000338919799 474732757 /nfs/dbraw/zinc/73/27/57/474732757.db2.gz PMUUGQYIIULWIG-UHFFFAOYSA-N 1 2 347.337 2.960 10 5 EFBELO CCc1noc(C)c1C[NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000293093711 474809826 /nfs/dbraw/zinc/80/98/26/474809826.db2.gz XGDSQELXCIIMLJ-UHFFFAOYSA-N 1 2 335.360 2.761 10 5 EFBELO Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(O)ccc1[N+](=O)[O-] ZINC000338999682 474819731 /nfs/dbraw/zinc/81/97/31/474819731.db2.gz IZXPMFYTDUXCSC-LQDVMPOASA-N 1 2 342.399 2.945 10 5 EFBELO CC(C)n1cnnc1[C@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000339040239 474866477 /nfs/dbraw/zinc/86/64/77/474866477.db2.gz DQRCIGBAZCQQHG-ZDUSSCGKSA-N 1 2 345.403 2.852 10 5 EFBELO CC(C)n1cnnc1[C@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000339040239 474866485 /nfs/dbraw/zinc/86/64/85/474866485.db2.gz DQRCIGBAZCQQHG-ZDUSSCGKSA-N 1 2 345.403 2.852 10 5 EFBELO O=[N+]([O-])c1ccc(O)cc1C[N@H+](C[C@H]1CCCO1)[C@H]1CCSC1 ZINC000339054155 474883885 /nfs/dbraw/zinc/88/38/85/474883885.db2.gz NZIZNZXZEGXUHW-DZGCQCFKSA-N 1 2 338.429 2.787 10 5 EFBELO O=[N+]([O-])c1ccc(O)cc1C[N@@H+](C[C@H]1CCCO1)[C@H]1CCSC1 ZINC000339054155 474883888 /nfs/dbraw/zinc/88/38/88/474883888.db2.gz NZIZNZXZEGXUHW-DZGCQCFKSA-N 1 2 338.429 2.787 10 5 EFBELO O=C1C[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCN1C1CC1 ZINC000337399943 474979200 /nfs/dbraw/zinc/97/92/00/474979200.db2.gz QSQVOBCUOUWAID-UHFFFAOYSA-N 1 2 341.367 2.661 10 5 EFBELO O=C1C[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCN1C1CC1 ZINC000337399943 474979208 /nfs/dbraw/zinc/97/92/08/474979208.db2.gz QSQVOBCUOUWAID-UHFFFAOYSA-N 1 2 341.367 2.661 10 5 EFBELO COC(=O)c1cc(NCCNc2cccc[nH+]2)cc(C)c1[N+](=O)[O-] ZINC000268494288 475012797 /nfs/dbraw/zinc/01/27/97/475012797.db2.gz PRABQUYVRYEKDT-UHFFFAOYSA-N 1 2 330.344 2.609 10 5 EFBELO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000339222955 475053980 /nfs/dbraw/zinc/05/39/80/475053980.db2.gz GUYBCBRZEOGUEM-UHFFFAOYSA-N 1 2 329.356 2.923 10 5 EFBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](S(C)(=O)=O)CC1 ZINC000337534948 475104360 /nfs/dbraw/zinc/10/43/60/475104360.db2.gz XGJHZLLFNXWGQM-SWLSCSKDSA-N 1 2 326.418 2.555 10 5 EFBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](S(C)(=O)=O)CC1 ZINC000337534948 475104366 /nfs/dbraw/zinc/10/43/66/475104366.db2.gz XGJHZLLFNXWGQM-SWLSCSKDSA-N 1 2 326.418 2.555 10 5 EFBELO COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc3[nH+]c(C)cn3c2)c1 ZINC000339271197 475106188 /nfs/dbraw/zinc/10/61/88/475106188.db2.gz PQGIDHFFUNJFJJ-UHFFFAOYSA-N 1 2 326.312 2.812 10 5 EFBELO C[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC(=O)N1C ZINC000337549670 475118309 /nfs/dbraw/zinc/11/83/09/475118309.db2.gz QOHANSVAHCDHMH-GFCCVEGCSA-N 1 2 345.424 2.986 10 5 EFBELO C[C@@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC(=O)N1C ZINC000337549670 475118320 /nfs/dbraw/zinc/11/83/20/475118320.db2.gz QOHANSVAHCDHMH-GFCCVEGCSA-N 1 2 345.424 2.986 10 5 EFBELO O=[N+]([O-])c1ccn(CC[N@@H+]2CCCC[C@H]2c2nnc(C3CCC3)o2)n1 ZINC000287412501 475135761 /nfs/dbraw/zinc/13/57/61/475135761.db2.gz OOGJTCFCPMSANE-ZDUSSCGKSA-N 1 2 346.391 2.669 10 5 EFBELO O=[N+]([O-])c1ccn(CC[N@H+]2CCCC[C@H]2c2nnc(C3CCC3)o2)n1 ZINC000287412501 475135772 /nfs/dbraw/zinc/13/57/72/475135772.db2.gz OOGJTCFCPMSANE-ZDUSSCGKSA-N 1 2 346.391 2.669 10 5 EFBELO O=[N+]([O-])c1ccccc1Cc1noc(-c2cc(-n3cc[nH+]c3)ccn2)n1 ZINC000345532730 475246786 /nfs/dbraw/zinc/24/67/86/475246786.db2.gz HTASBEKPPDCLPP-UHFFFAOYSA-N 1 2 348.322 2.816 10 5 EFBELO COc1cc(C[NH+]2CCN(c3cccs3)CC2)ccc1[N+](=O)[O-] ZINC000352545259 475398556 /nfs/dbraw/zinc/39/85/56/475398556.db2.gz HUPJDKNHGNCOLJ-UHFFFAOYSA-N 1 2 333.413 2.987 10 5 EFBELO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCc1[nH+]ccn1CC ZINC000296718476 475444651 /nfs/dbraw/zinc/44/46/51/475444651.db2.gz LULXCZDHCJTABI-UHFFFAOYSA-N 1 2 333.348 2.532 10 5 EFBELO COc1ccc(-c2ccc(C[NH2+]Cc3ccn(C)n3)o2)c([N+](=O)[O-])c1 ZINC000345828232 475487631 /nfs/dbraw/zinc/48/76/31/475487631.db2.gz IMRDVZBHTJZEOL-UHFFFAOYSA-N 1 2 342.355 2.887 10 5 EFBELO CC[C@@H](NC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)c1cccc([N+](=O)[O-])c1 ZINC000358276663 475554586 /nfs/dbraw/zinc/55/45/86/475554586.db2.gz JOPRSZFSTLXCGJ-TZMCWYRMSA-N 1 2 343.387 2.626 10 5 EFBELO CC[C@@H](NC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)c1cccc([N+](=O)[O-])c1 ZINC000358276663 475554594 /nfs/dbraw/zinc/55/45/94/475554594.db2.gz JOPRSZFSTLXCGJ-TZMCWYRMSA-N 1 2 343.387 2.626 10 5 EFBELO COc1cc(C[N@@H+]2CCSC[C@@H]2c2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000362026884 475947770 /nfs/dbraw/zinc/94/77/70/475947770.db2.gz NEMXAHWCXBYAMH-OAHLLOKOSA-N 1 2 348.428 2.627 10 5 EFBELO COc1cc(C[N@H+]2CCSC[C@@H]2c2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000362026884 475947777 /nfs/dbraw/zinc/94/77/77/475947777.db2.gz NEMXAHWCXBYAMH-OAHLLOKOSA-N 1 2 348.428 2.627 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCN(C(=O)C2CC2)CC1(C)C ZINC000355506007 475992368 /nfs/dbraw/zinc/99/23/68/475992368.db2.gz HTRDNQFNHIJRSJ-UHFFFAOYSA-N 1 2 331.416 2.736 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCN(C(=O)C2CC2)CC1(C)C ZINC000355506007 475992376 /nfs/dbraw/zinc/99/23/76/475992376.db2.gz HTRDNQFNHIJRSJ-UHFFFAOYSA-N 1 2 331.416 2.736 10 5 EFBELO Cn1cc[nH+]c1CNC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000347171462 476146878 /nfs/dbraw/zinc/14/68/78/476146878.db2.gz SOYRBRMPQYHVIP-UHFFFAOYSA-N 1 2 331.376 2.948 10 5 EFBELO Cn1ccnc1[C@@H]([NH2+]C[C@@H]1CCC(C)(C)O1)c1ccc([N+](=O)[O-])cc1 ZINC000353669786 476174521 /nfs/dbraw/zinc/17/45/21/476174521.db2.gz FFAKEXYPXBGRPK-HOTGVXAUSA-N 1 2 344.415 2.965 10 5 EFBELO Cc1cc(C)c([N+](=O)[O-])c(NCc2[nH+]ccn2CC(F)(F)F)n1 ZINC000359098733 476185845 /nfs/dbraw/zinc/18/58/45/476185845.db2.gz BAIFSDJUILFMPC-UHFFFAOYSA-N 1 2 329.282 2.978 10 5 EFBELO CC1=C[C@H](C)CN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000362378300 476204865 /nfs/dbraw/zinc/20/48/65/476204865.db2.gz KIRGOGDXZYVFMY-AWEZNQCLSA-N 1 2 331.416 2.829 10 5 EFBELO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ncc(C4CC4)o3)C2)nc1 ZINC000340696158 476213421 /nfs/dbraw/zinc/21/34/21/476213421.db2.gz LWKIFWLCFVFGAQ-LBPRGKRZSA-N 1 2 329.360 2.542 10 5 EFBELO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3ncc(C4CC4)o3)C2)nc1 ZINC000340696158 476213430 /nfs/dbraw/zinc/21/34/30/476213430.db2.gz LWKIFWLCFVFGAQ-LBPRGKRZSA-N 1 2 329.360 2.542 10 5 EFBELO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc[nH+]c1N(C)C ZINC000353904683 476319785 /nfs/dbraw/zinc/31/97/85/476319785.db2.gz ILOCQBDXSPUOQQ-UHFFFAOYSA-N 1 2 343.387 2.940 10 5 EFBELO C[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])s2)[C@H]1c1ccc(F)cc1 ZINC000362778317 476403571 /nfs/dbraw/zinc/40/35/71/476403571.db2.gz QWQYTGAIDWECNX-IUODEOHRSA-N 1 2 349.387 2.971 10 5 EFBELO C[N@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])s2)[C@H]1c1ccc(F)cc1 ZINC000362778317 476403575 /nfs/dbraw/zinc/40/35/75/476403575.db2.gz QWQYTGAIDWECNX-IUODEOHRSA-N 1 2 349.387 2.971 10 5 EFBELO C[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])s2)[C@@H]1c1ccc(F)cc1 ZINC000362778205 476403814 /nfs/dbraw/zinc/40/38/14/476403814.db2.gz QWQYTGAIDWECNX-DOMZBBRYSA-N 1 2 349.387 2.971 10 5 EFBELO C[N@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])s2)[C@@H]1c1ccc(F)cc1 ZINC000362778205 476403817 /nfs/dbraw/zinc/40/38/17/476403817.db2.gz QWQYTGAIDWECNX-DOMZBBRYSA-N 1 2 349.387 2.971 10 5 EFBELO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000377527128 476435088 /nfs/dbraw/zinc/43/50/88/476435088.db2.gz IITOOCASODCBFW-UHFFFAOYSA-N 1 2 342.351 2.977 10 5 EFBELO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000377527128 476435095 /nfs/dbraw/zinc/43/50/95/476435095.db2.gz IITOOCASODCBFW-UHFFFAOYSA-N 1 2 342.351 2.977 10 5 EFBELO CC[C@@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)[C@H](CC)CN1C(C)=O ZINC000354117924 476439598 /nfs/dbraw/zinc/43/95/98/476439598.db2.gz UECYFISGCVVJPE-ZIAGYGMSSA-N 1 2 325.434 2.878 10 5 EFBELO CC[C@@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)[C@H](CC)CN1C(C)=O ZINC000354117924 476439603 /nfs/dbraw/zinc/43/96/03/476439603.db2.gz UECYFISGCVVJPE-ZIAGYGMSSA-N 1 2 325.434 2.878 10 5 EFBELO CC(=O)c1cc(NCc2cccnc2-n2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000378024596 476673944 /nfs/dbraw/zinc/67/39/44/476673944.db2.gz ODRLDYARNMGAHE-UHFFFAOYSA-N 1 2 337.339 2.990 10 5 EFBELO COc1cc(NCc2ccnc(-n3cc[nH+]c3)c2)ccc1[N+](=O)[O-] ZINC000378033518 476675816 /nfs/dbraw/zinc/67/58/16/476675816.db2.gz DYUQZUSUCFDCEY-UHFFFAOYSA-N 1 2 325.328 2.796 10 5 EFBELO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000451913872 476722491 /nfs/dbraw/zinc/72/24/91/476722491.db2.gz TUCFJTJXPPKZHL-CABZTGNLSA-N 1 2 338.713 2.993 10 5 EFBELO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000451913872 476722495 /nfs/dbraw/zinc/72/24/95/476722495.db2.gz TUCFJTJXPPKZHL-CABZTGNLSA-N 1 2 338.713 2.993 10 5 EFBELO O=C(NC1CC[NH+](CC2CCCC2)CC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000375219134 476722683 /nfs/dbraw/zinc/72/26/83/476722683.db2.gz YNDAJLQZNDRLOS-UHFFFAOYSA-N 1 2 347.415 2.685 10 5 EFBELO C[C@@H]1C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@@H](C)[C@@H](C)O1 ZINC000446063476 476816646 /nfs/dbraw/zinc/81/66/46/476816646.db2.gz VEIJNWZOXUCLNK-GRYCIOLGSA-N 1 2 332.360 2.643 10 5 EFBELO C[C@@H]1C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@@H](C)[C@@H](C)O1 ZINC000446063476 476816653 /nfs/dbraw/zinc/81/66/53/476816653.db2.gz VEIJNWZOXUCLNK-GRYCIOLGSA-N 1 2 332.360 2.643 10 5 EFBELO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000371450629 477325524 /nfs/dbraw/zinc/32/55/24/477325524.db2.gz MQPXVQXBHIVFMC-LBPRGKRZSA-N 1 2 328.372 2.530 10 5 EFBELO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000371450629 477325531 /nfs/dbraw/zinc/32/55/31/477325531.db2.gz MQPXVQXBHIVFMC-LBPRGKRZSA-N 1 2 328.372 2.530 10 5 EFBELO C[C@H](NC(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21)c1ccccc1[N+](=O)[O-] ZINC000454779100 477374054 /nfs/dbraw/zinc/37/40/54/477374054.db2.gz ZXTWJUIMOPXNCF-GMXVVIOVSA-N 1 2 329.360 2.858 10 5 EFBELO C[C@@H]1C[C@]2(CCO1)C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C[C@H](C)O2 ZINC000367225722 477402711 /nfs/dbraw/zinc/40/27/11/477402711.db2.gz RNDINHMFTJOHOY-IIYDPXPESA-N 1 2 338.379 2.892 10 5 EFBELO C[C@@H]1C[C@]2(CCO1)C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C[C@H](C)O2 ZINC000367225722 477402720 /nfs/dbraw/zinc/40/27/20/477402720.db2.gz RNDINHMFTJOHOY-IIYDPXPESA-N 1 2 338.379 2.892 10 5 EFBELO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCc1ccccc1[N+](=O)[O-])C2 ZINC000376622226 477432182 /nfs/dbraw/zinc/43/21/82/477432182.db2.gz INPBFFCQEPUZCX-GFCCVEGCSA-N 1 2 342.399 2.863 10 5 EFBELO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCc1ccccc1[N+](=O)[O-])CC2 ZINC000376622226 477432184 /nfs/dbraw/zinc/43/21/84/477432184.db2.gz INPBFFCQEPUZCX-GFCCVEGCSA-N 1 2 342.399 2.863 10 5 EFBELO CCOC(=O)c1ccc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])nc1 ZINC000450228887 477584312 /nfs/dbraw/zinc/58/43/12/477584312.db2.gz VQDIOMRMRWIING-UHFFFAOYSA-N 1 2 329.356 2.799 10 5 EFBELO CCOC(=O)c1ccc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])nc1 ZINC000450228887 477584318 /nfs/dbraw/zinc/58/43/18/477584318.db2.gz VQDIOMRMRWIING-UHFFFAOYSA-N 1 2 329.356 2.799 10 5 EFBELO O=[N+]([O-])c1ccc2cc[nH+]c(N3CC[C@@H]([C@@H](O)C(F)(F)F)C3)c2c1 ZINC000413315280 477624274 /nfs/dbraw/zinc/62/42/74/477624274.db2.gz JRCPIPSIQVHMLF-ZWNOBZJWSA-N 1 2 341.289 2.893 10 5 EFBELO C[C@]1(F)CCCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000450567609 477636569 /nfs/dbraw/zinc/63/65/69/477636569.db2.gz ZATDLJPHUPIDMP-KRWDZBQOSA-N 1 2 337.395 2.755 10 5 EFBELO Cc1cc(NCC2=CCOCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000450617289 477656992 /nfs/dbraw/zinc/65/69/92/477656992.db2.gz GGQBONASYRVLEV-UHFFFAOYSA-N 1 2 326.356 2.541 10 5 EFBELO CCNC(=O)[C@H]1Cc2ccccc2C[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000425535165 477687960 /nfs/dbraw/zinc/68/79/60/477687960.db2.gz GXECLDCRIULSEH-GOSISDBHSA-N 1 2 339.395 2.658 10 5 EFBELO CCNC(=O)[C@H]1Cc2ccccc2C[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000425535165 477687970 /nfs/dbraw/zinc/68/79/70/477687970.db2.gz GXECLDCRIULSEH-GOSISDBHSA-N 1 2 339.395 2.658 10 5 EFBELO CC[C@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)c1cccc([N+](=O)[O-])c1 ZINC000372326009 477757558 /nfs/dbraw/zinc/75/75/58/477757558.db2.gz MTFPTOJFGJUXIM-ZFWWWQNUSA-N 1 2 328.372 2.621 10 5 EFBELO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH+]2CC3(C2)CCCOC3)c1 ZINC000459603696 478005450 /nfs/dbraw/zinc/00/54/50/478005450.db2.gz IRUDLLRZBVYIKZ-UHFFFAOYSA-N 1 2 328.315 2.809 10 5 EFBELO CC(C)(C)n1nnnc1C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451548428 478085923 /nfs/dbraw/zinc/08/59/23/478085923.db2.gz NBJHTFNNHQKNJK-AWEZNQCLSA-N 1 2 344.419 2.716 10 5 EFBELO CC(C)(C)n1nnnc1C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451548428 478085930 /nfs/dbraw/zinc/08/59/30/478085930.db2.gz NBJHTFNNHQKNJK-AWEZNQCLSA-N 1 2 344.419 2.716 10 5 EFBELO CC[C@H](NC(=O)N[C@@H]1CCn2cc[nH+]c2C1)c1cccc([N+](=O)[O-])c1 ZINC000488643484 478167882 /nfs/dbraw/zinc/16/78/82/478167882.db2.gz KTEWXHRLBRZFTD-HIFRSBDPSA-N 1 2 343.387 2.557 10 5 EFBELO CC(C)CN1C[C@@H]2C[N@@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000488766511 478181934 /nfs/dbraw/zinc/18/19/34/478181934.db2.gz JLUIMSNZDORYQX-PBHICJAKSA-N 1 2 346.431 2.734 10 5 EFBELO CC(C)CN1C[C@@H]2C[N@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000488766511 478181938 /nfs/dbraw/zinc/18/19/38/478181938.db2.gz JLUIMSNZDORYQX-PBHICJAKSA-N 1 2 346.431 2.734 10 5 EFBELO CN(C(=O)C[N@@H+]1CCOCC12CCCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000451814610 478213351 /nfs/dbraw/zinc/21/33/51/478213351.db2.gz KPTKUBOQFGSJMH-UHFFFAOYSA-N 1 2 347.415 2.593 10 5 EFBELO CN(C(=O)C[N@H+]1CCOCC12CCCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000451814610 478213352 /nfs/dbraw/zinc/21/33/52/478213352.db2.gz KPTKUBOQFGSJMH-UHFFFAOYSA-N 1 2 347.415 2.593 10 5 EFBELO C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C[C@@H]1F ZINC000590698327 478295849 /nfs/dbraw/zinc/29/58/49/478295849.db2.gz DRXZDVQMDNXEDD-YPMHNXCESA-N 1 2 332.335 2.601 10 5 EFBELO Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)cc1[N+](=O)[O-] ZINC000597348146 478305986 /nfs/dbraw/zinc/30/59/86/478305986.db2.gz FSBZCZZHYOIQJA-DGCLKSJQSA-N 1 2 328.372 2.609 10 5 EFBELO Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)cc1[N+](=O)[O-] ZINC000597348146 478305994 /nfs/dbraw/zinc/30/59/94/478305994.db2.gz FSBZCZZHYOIQJA-DGCLKSJQSA-N 1 2 328.372 2.609 10 5 EFBELO CC[C@H](NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1)c1cccc([N+](=O)[O-])c1 ZINC000597349338 478306175 /nfs/dbraw/zinc/30/61/75/478306175.db2.gz OHDVHQQBZXEHAW-JSGCOSHPSA-N 1 2 328.372 2.690 10 5 EFBELO CC[C@H](NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1)c1cccc([N+](=O)[O-])c1 ZINC000597349338 478306186 /nfs/dbraw/zinc/30/61/86/478306186.db2.gz OHDVHQQBZXEHAW-JSGCOSHPSA-N 1 2 328.372 2.690 10 5 EFBELO CC[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)c1cccc([N+](=O)[O-])c1 ZINC000597351193 478307759 /nfs/dbraw/zinc/30/77/59/478307759.db2.gz UBOYBZXSAZPHRA-RBSFLKMASA-N 1 2 328.372 2.699 10 5 EFBELO C[C@@H]1CN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)[C@@H](C)C[N@@H+]1C ZINC000580393848 478361758 /nfs/dbraw/zinc/36/17/58/478361758.db2.gz GEQGXAXEXYQCDK-KGLIPLIRSA-N 1 2 349.434 2.846 10 5 EFBELO C[C@@H]1CN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)[C@@H](C)C[N@H+]1C ZINC000580393848 478361762 /nfs/dbraw/zinc/36/17/62/478361762.db2.gz GEQGXAXEXYQCDK-KGLIPLIRSA-N 1 2 349.434 2.846 10 5 EFBELO O=[N+]([O-])c1cc2c(cc1C[NH+]1CC(CC(F)(F)F)C1)OCCO2 ZINC000590969229 478423862 /nfs/dbraw/zinc/42/38/62/478423862.db2.gz VCYYGSCRUZTLRG-UHFFFAOYSA-N 1 2 332.278 2.750 10 5 EFBELO O=[N+]([O-])c1ccc(CCO)c(-c2ccc(NC[C@@H]3CCCO3)[nH+]c2)c1 ZINC000600794350 478525023 /nfs/dbraw/zinc/52/50/23/478525023.db2.gz SSFXWVWNLJPMGM-INIZCTEOSA-N 1 2 343.383 2.783 10 5 EFBELO O=C1Nc2ccccc2CC[C@@H]1[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000582276406 478554840 /nfs/dbraw/zinc/55/48/40/478554840.db2.gz APTUZZRDSXCXBR-SFHVURJKSA-N 1 2 337.379 2.906 10 5 EFBELO O=C1Nc2ccccc2CC[C@@H]1[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000582276406 478554845 /nfs/dbraw/zinc/55/48/45/478554845.db2.gz APTUZZRDSXCXBR-SFHVURJKSA-N 1 2 337.379 2.906 10 5 EFBELO C[C@@H]1CCC[C@@H](C[NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)O1 ZINC000595080078 478653571 /nfs/dbraw/zinc/65/35/71/478653571.db2.gz NRXLLRFDXDWYPJ-XOKHGSTOSA-N 1 2 344.415 2.965 10 5 EFBELO C[C@H](N[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)c1[nH+]ccn1C ZINC000595104943 478663039 /nfs/dbraw/zinc/66/30/39/478663039.db2.gz ATFKFCRWQAUEBM-WFASDCNBSA-N 1 2 340.387 2.502 10 5 EFBELO Cc1noc(C[NH2+][C@@H](C)c2ccccc2-n2cccn2)c1[N+](=O)[O-] ZINC000595413977 478766021 /nfs/dbraw/zinc/76/60/21/478766021.db2.gz DYMVMXOIVNQAPG-NSHDSACASA-N 1 2 327.344 2.928 10 5 EFBELO Cc1noc(C[NH2+][C@H](C)c2ccccc2-n2cccn2)c1[N+](=O)[O-] ZINC000595413976 478766177 /nfs/dbraw/zinc/76/61/77/478766177.db2.gz DYMVMXOIVNQAPG-LLVKDONJSA-N 1 2 327.344 2.928 10 5 EFBELO C[C@@H]1C[C@H]([NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)[C@@H](C)O1 ZINC000601299977 478773290 /nfs/dbraw/zinc/77/32/90/478773290.db2.gz WRSALZHCJGDHGP-MPTQWLOMSA-N 1 2 330.388 2.573 10 5 EFBELO C[C@@H]1C[C@H]([NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)[C@@H](C)O1 ZINC000601299973 478773644 /nfs/dbraw/zinc/77/36/44/478773644.db2.gz WRSALZHCJGDHGP-AVRGHOLYSA-N 1 2 330.388 2.573 10 5 EFBELO CC[C@H]1CN(c2ccccc2)CC[N@@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595435169 478780753 /nfs/dbraw/zinc/78/07/53/478780753.db2.gz LLADXGXTLPWMIU-AWEZNQCLSA-N 1 2 330.388 2.992 10 5 EFBELO CC[C@H]1CN(c2ccccc2)CC[N@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595435169 478780766 /nfs/dbraw/zinc/78/07/66/478780766.db2.gz LLADXGXTLPWMIU-AWEZNQCLSA-N 1 2 330.388 2.992 10 5 EFBELO CS(=O)(=O)CC[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595501126 478822747 /nfs/dbraw/zinc/82/27/47/478822747.db2.gz IFLLCDQKWZBHFM-AWEZNQCLSA-N 1 2 344.408 2.523 10 5 EFBELO CS(=O)(=O)CC[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595501126 478822752 /nfs/dbraw/zinc/82/27/52/478822752.db2.gz IFLLCDQKWZBHFM-AWEZNQCLSA-N 1 2 344.408 2.523 10 5 EFBELO Cc1noc(C[N@@H+](C)Cc2ccc3c(c2)OC(F)(F)O3)c1[N+](=O)[O-] ZINC000595564231 478858018 /nfs/dbraw/zinc/85/80/18/478858018.db2.gz YQEJOZQVWGXPAG-UHFFFAOYSA-N 1 2 341.270 2.845 10 5 EFBELO Cc1noc(C[N@H+](C)Cc2ccc3c(c2)OC(F)(F)O3)c1[N+](=O)[O-] ZINC000595564231 478858020 /nfs/dbraw/zinc/85/80/20/478858020.db2.gz YQEJOZQVWGXPAG-UHFFFAOYSA-N 1 2 341.270 2.845 10 5 EFBELO C[C@@H]1COC2(CCC2)C[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000595681106 478932862 /nfs/dbraw/zinc/93/28/62/478932862.db2.gz KAOUUHNCCHJQOB-GFCCVEGCSA-N 1 2 344.371 2.788 10 5 EFBELO C[C@@H]1COC2(CCC2)C[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000595681106 478932868 /nfs/dbraw/zinc/93/28/68/478932868.db2.gz KAOUUHNCCHJQOB-GFCCVEGCSA-N 1 2 344.371 2.788 10 5 EFBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2C[C@@H](C)OC3(CCC3)C2)c1 ZINC000592529846 478935429 /nfs/dbraw/zinc/93/54/29/478935429.db2.gz UAIKCENALKWJIS-GFCCVEGCSA-N 1 2 334.372 2.525 10 5 EFBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@@H](C)OC3(CCC3)C2)c1 ZINC000592529846 478935435 /nfs/dbraw/zinc/93/54/35/478935435.db2.gz UAIKCENALKWJIS-GFCCVEGCSA-N 1 2 334.372 2.525 10 5 EFBELO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)CC(F)F ZINC000592671765 478989805 /nfs/dbraw/zinc/98/98/05/478989805.db2.gz FEOZBNBGONWQTH-JTQLQIEISA-N 1 2 338.314 2.802 10 5 EFBELO O=C(N[C@@]12C[C@@H]1CCCC2)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000601775262 478996307 /nfs/dbraw/zinc/99/63/07/478996307.db2.gz OOEMDHYAXCRWGW-GUYCJALGSA-N 1 2 326.356 2.843 10 5 EFBELO C[C@@H]1COC2(CCCC2)C[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000595815677 479013403 /nfs/dbraw/zinc/01/34/03/479013403.db2.gz QGZMPNZKMRGLAL-CYBMUJFWSA-N 1 2 348.399 2.995 10 5 EFBELO C[C@@H]1COC2(CCCC2)C[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000595815677 479013410 /nfs/dbraw/zinc/01/34/10/479013410.db2.gz QGZMPNZKMRGLAL-CYBMUJFWSA-N 1 2 348.399 2.995 10 5 EFBELO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC(c2ccon2)CC1 ZINC000595829124 479021112 /nfs/dbraw/zinc/02/11/12/479021112.db2.gz PSJBJBKVDJUVDA-UHFFFAOYSA-N 1 2 344.371 2.709 10 5 EFBELO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(c2ccon2)CC1 ZINC000595829679 479022246 /nfs/dbraw/zinc/02/22/46/479022246.db2.gz ZCUQMGLMNZPQDD-LBPRGKRZSA-N 1 2 344.371 2.789 10 5 EFBELO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CCC2(COC2)C1 ZINC000595836000 479025023 /nfs/dbraw/zinc/02/50/23/479025023.db2.gz XZMIMVTZWHTJRL-UHFFFAOYSA-N 1 2 327.178 2.580 10 5 EFBELO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CCC2(COC2)C1 ZINC000595836000 479025028 /nfs/dbraw/zinc/02/50/28/479025028.db2.gz XZMIMVTZWHTJRL-UHFFFAOYSA-N 1 2 327.178 2.580 10 5 EFBELO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCO[C@@H](CC(F)(F)F)C2)cc1 ZINC000595893294 479056907 /nfs/dbraw/zinc/05/69/07/479056907.db2.gz VUJIENJOBLTZPZ-ZDUSSCGKSA-N 1 2 334.294 2.627 10 5 EFBELO O=[N+]([O-])c1ccc(OCC[N@H+]2CCO[C@@H](CC(F)(F)F)C2)cc1 ZINC000595893294 479056915 /nfs/dbraw/zinc/05/69/15/479056915.db2.gz VUJIENJOBLTZPZ-ZDUSSCGKSA-N 1 2 334.294 2.627 10 5 EFBELO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCc2c(cccc2C(N)=O)C1 ZINC000595902713 479062109 /nfs/dbraw/zinc/06/21/09/479062109.db2.gz LZUMLIURGWEMTP-GFCCVEGCSA-N 1 2 325.368 2.813 10 5 EFBELO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCc2c(cccc2C(N)=O)C1 ZINC000595902713 479062112 /nfs/dbraw/zinc/06/21/12/479062112.db2.gz LZUMLIURGWEMTP-GFCCVEGCSA-N 1 2 325.368 2.813 10 5 EFBELO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCO[C@H](C(F)F)CC3)nc2c1 ZINC000601975929 479104623 /nfs/dbraw/zinc/10/46/23/479104623.db2.gz NSMMZPFBXWMZSF-LBPRGKRZSA-N 1 2 327.287 2.592 10 5 EFBELO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCO[C@H](C(F)F)CC3)nc2c1 ZINC000601975929 479104632 /nfs/dbraw/zinc/10/46/32/479104632.db2.gz NSMMZPFBXWMZSF-LBPRGKRZSA-N 1 2 327.287 2.592 10 5 EFBELO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H](C)c2c(C)noc2C)c1 ZINC000593018663 479126758 /nfs/dbraw/zinc/12/67/58/479126758.db2.gz DRIYEEJZQJPIFY-VIFPVBQESA-N 1 2 333.344 2.837 10 5 EFBELO O=[N+]([O-])c1c2ccncc2ccc1N1CC[NH+](Cc2cccnc2)CC1 ZINC000599021855 479130004 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CC[C@H]1CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000599070467 479149718 /nfs/dbraw/zinc/14/97/18/479149718.db2.gz IKJMIOBRRAWWAT-KSSFIOAISA-N 1 2 343.383 2.917 10 5 EFBELO COCCO[C@H]1CCCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599073225 479150486 /nfs/dbraw/zinc/15/04/86/479150486.db2.gz FYQGHILFIMWWAK-AWEZNQCLSA-N 1 2 331.372 2.775 10 5 EFBELO CS(=O)(=O)[C@@H]1CCCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599075105 479152453 /nfs/dbraw/zinc/15/24/53/479152453.db2.gz SZANXXHHZBDAAV-CYBMUJFWSA-N 1 2 349.412 2.547 10 5 EFBELO C[C@H]1OCC[C@]12CN(c1ccc3c[nH+]ccc3c1[N+](=O)[O-])C[C@@H](C)O2 ZINC000599078929 479152868 /nfs/dbraw/zinc/15/28/68/479152868.db2.gz KNIKTACXQNJACR-VFVRVIDISA-N 1 2 343.383 2.916 10 5 EFBELO CC1(C)CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC[S@@]1=O ZINC000599082310 479153923 /nfs/dbraw/zinc/15/39/23/479153923.db2.gz BELSLSKZUQKVOA-QHCPKHFHSA-N 1 2 333.413 2.880 10 5 EFBELO CC(=O)NCC[C@H]1CCCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599086038 479154638 /nfs/dbraw/zinc/15/46/38/479154638.db2.gz XSYDRESFXAOPRD-CQSZACIVSA-N 1 2 342.399 2.886 10 5 EFBELO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000599087616 479156476 /nfs/dbraw/zinc/15/64/76/479156476.db2.gz LDSDGEYYLKIXQU-YGRLFVJLSA-N 1 2 341.289 2.893 10 5 EFBELO Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)CC2 ZINC000599101139 479161413 /nfs/dbraw/zinc/16/14/13/479161413.db2.gz IDBCKHXHVNAJNZ-GXTWGEPZSA-N 1 2 328.372 2.540 10 5 EFBELO Cc1cn2c([nH+]1)C[C@@H](C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)CC2 ZINC000599101147 479161645 /nfs/dbraw/zinc/16/16/45/479161645.db2.gz IDBCKHXHVNAJNZ-OCCSQVGLSA-N 1 2 328.372 2.540 10 5 EFBELO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000602112288 479181220 /nfs/dbraw/zinc/18/12/20/479181220.db2.gz YIRPSLVYPZKLKH-XJKCOSOUSA-N 1 2 344.396 2.696 10 5 EFBELO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000602112288 479181223 /nfs/dbraw/zinc/18/12/23/479181223.db2.gz YIRPSLVYPZKLKH-XJKCOSOUSA-N 1 2 344.396 2.696 10 5 EFBELO O=C(C[N@@H+]1CC[C@]2(CC2(F)F)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000593119393 479187745 /nfs/dbraw/zinc/18/77/45/479187745.db2.gz XGPXEKVEIBHZDE-ZDUSSCGKSA-N 1 2 345.733 2.918 10 5 EFBELO O=C(C[N@H+]1CC[C@]2(CC2(F)F)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000593119393 479187749 /nfs/dbraw/zinc/18/77/49/479187749.db2.gz XGPXEKVEIBHZDE-ZDUSSCGKSA-N 1 2 345.733 2.918 10 5 EFBELO Cc1cn2c([nH+]1)CN(c1c(Br)cccc1[N+](=O)[O-])CC2 ZINC000596190252 479188805 /nfs/dbraw/zinc/18/88/05/479188805.db2.gz QBYNYDFKXACVMU-UHFFFAOYSA-N 1 2 337.177 2.882 10 5 EFBELO Cc1sc(C(=O)NCC2CC[NH+](CC(F)F)CC2)cc1[N+](=O)[O-] ZINC000574227044 479245015 /nfs/dbraw/zinc/24/50/15/479245015.db2.gz WKTRLYUDMZPORW-UHFFFAOYSA-N 1 2 347.387 2.672 10 5 EFBELO COC(=O)COc1ccc(CNc2cc(C)c[nH+]c2C)cc1[N+](=O)[O-] ZINC000593223569 479247822 /nfs/dbraw/zinc/24/78/22/479247822.db2.gz WQVLVOYVCIELEM-UHFFFAOYSA-N 1 2 345.355 2.771 10 5 EFBELO O=[N+]([O-])c1ccc(-c2noc(C[NH+]3CC4(C3)CC(F)(F)C4)n2)cc1 ZINC000611180299 479303286 /nfs/dbraw/zinc/30/32/86/479303286.db2.gz BDBMGTIPHSJOCD-UHFFFAOYSA-N 1 2 336.298 2.876 10 5 EFBELO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C(F)F)C2)c([N+](=O)[O-])c1 ZINC000611179951 479303655 /nfs/dbraw/zinc/30/36/55/479303655.db2.gz OICUMVFZVVNTBT-VHSXEESVSA-N 1 2 343.330 2.517 10 5 EFBELO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C(F)F)C2)c([N+](=O)[O-])c1 ZINC000611179951 479303660 /nfs/dbraw/zinc/30/36/60/479303660.db2.gz OICUMVFZVVNTBT-VHSXEESVSA-N 1 2 343.330 2.517 10 5 EFBELO O=C(C[N@@H+]1CC[C@@H](C(F)F)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000611179787 479304226 /nfs/dbraw/zinc/30/42/26/479304226.db2.gz JVGBEUYWUGTDGY-MRVPVSSYSA-N 1 2 333.722 2.774 10 5 EFBELO O=C(C[N@H+]1CC[C@@H](C(F)F)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000611179787 479304231 /nfs/dbraw/zinc/30/42/31/479304231.db2.gz JVGBEUYWUGTDGY-MRVPVSSYSA-N 1 2 333.722 2.774 10 5 EFBELO CC1(C)OCC[C@H]1CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000596545303 479335323 /nfs/dbraw/zinc/33/53/23/479335323.db2.gz RPKFTMYIIQJAHP-HNNXBMFYSA-N 1 2 349.431 2.654 10 5 EFBELO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000599632445 479362394 /nfs/dbraw/zinc/36/23/94/479362394.db2.gz NXKWQAVGCDITFQ-RRMDADRESA-N 1 2 328.821 2.734 10 5 EFBELO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000599632445 479362397 /nfs/dbraw/zinc/36/23/97/479362397.db2.gz NXKWQAVGCDITFQ-RRMDADRESA-N 1 2 328.821 2.734 10 5 EFBELO Cc1cn2c([nH+]1)C[C@@H](C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)CC2 ZINC000599633991 479362443 /nfs/dbraw/zinc/36/24/43/479362443.db2.gz DQARTOBMJUZEFW-ZFWWWQNUSA-N 1 2 342.399 2.848 10 5 EFBELO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCC(Cn4cnnc4)CC3)c2c1 ZINC000593503206 479368631 /nfs/dbraw/zinc/36/86/31/479368631.db2.gz QDWHIVITWSWTIS-UHFFFAOYSA-N 1 2 338.371 2.651 10 5 EFBELO CC(C)(NC(=O)Cc1cn2c([nH+]1)CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000593508063 479370450 /nfs/dbraw/zinc/37/04/50/479370450.db2.gz CIVKCZGCZGSCMC-UHFFFAOYSA-N 1 2 342.399 2.722 10 5 EFBELO CCN(CC)c1ccc(CNc2cc(N)c([N+](=O)[O-])c(CO)c2)c[nH+]1 ZINC000587261263 479370911 /nfs/dbraw/zinc/37/09/11/479370911.db2.gz NSQPNIFUSYGLLC-UHFFFAOYSA-N 1 2 345.403 2.523 10 5 EFBELO C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H](CCc1ccccc1)C(F)F ZINC000599681065 479388908 /nfs/dbraw/zinc/38/89/08/479388908.db2.gz BTIPIBSJYMZLTQ-CQSZACIVSA-N 1 2 338.358 2.990 10 5 EFBELO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@H](CCc1ccccc1)C(F)F ZINC000599681065 479388914 /nfs/dbraw/zinc/38/89/14/479388914.db2.gz BTIPIBSJYMZLTQ-CQSZACIVSA-N 1 2 338.358 2.990 10 5 EFBELO COc1ccc(N[C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)[nH+]c1 ZINC000611475582 479389223 /nfs/dbraw/zinc/38/92/23/479389223.db2.gz CGMPWUDLZVALKX-LLVKDONJSA-N 1 2 330.344 2.828 10 5 EFBELO C[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@H]1F ZINC000611506718 479399577 /nfs/dbraw/zinc/39/95/77/479399577.db2.gz QJLVTMCICGJUAT-DGCLKSJQSA-N 1 2 332.335 2.601 10 5 EFBELO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000611576671 479422384 /nfs/dbraw/zinc/42/23/84/479422384.db2.gz CWLIBVHBTWOZCA-GXFFZTMASA-N 1 2 343.330 2.625 10 5 EFBELO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](OC(F)F)C1 ZINC000611576671 479422386 /nfs/dbraw/zinc/42/23/86/479422386.db2.gz CWLIBVHBTWOZCA-GXFFZTMASA-N 1 2 343.330 2.625 10 5 EFBELO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000611576831 479422432 /nfs/dbraw/zinc/42/24/32/479422432.db2.gz FMMPJFKDCPRYAJ-GWCFXTLKSA-N 1 2 343.330 2.625 10 5 EFBELO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000611576831 479422436 /nfs/dbraw/zinc/42/24/36/479422436.db2.gz FMMPJFKDCPRYAJ-GWCFXTLKSA-N 1 2 343.330 2.625 10 5 EFBELO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H](OC(F)F)C2)c2c(c1)COCO2 ZINC000611579923 479424667 /nfs/dbraw/zinc/42/46/67/479424667.db2.gz ZUFMJLZRBPQXEP-ZDUSSCGKSA-N 1 2 344.314 2.665 10 5 EFBELO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H](OC(F)F)C2)c2c(c1)COCO2 ZINC000611579923 479424671 /nfs/dbraw/zinc/42/46/71/479424671.db2.gz ZUFMJLZRBPQXEP-ZDUSSCGKSA-N 1 2 344.314 2.665 10 5 EFBELO C[C@@H]1CN(c2ccc(CNc3cccnc3[N+](=O)[O-])c[nH+]2)C[C@H](C)O1 ZINC000603858447 479441461 /nfs/dbraw/zinc/44/14/61/479441461.db2.gz CUJXYLGUAHGLLV-BETUJISGSA-N 1 2 343.387 2.611 10 5 EFBELO Cn1cc(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)nn1 ZINC000611931090 479525998 /nfs/dbraw/zinc/52/59/98/479525998.db2.gz DYKXPUXRACJIQG-UHFFFAOYSA-N 1 2 347.762 2.927 10 5 EFBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)c1 ZINC000589520529 479537426 /nfs/dbraw/zinc/53/74/26/479537426.db2.gz WYOABLFQRBKWJF-HZPDHXFCSA-N 1 2 348.399 2.771 10 5 EFBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)c1 ZINC000589520529 479537436 /nfs/dbraw/zinc/53/74/36/479537436.db2.gz WYOABLFQRBKWJF-HZPDHXFCSA-N 1 2 348.399 2.771 10 5 EFBELO O=C(NC[C@@H]1CC[C@@H]2C[C@@H]2C1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000600162382 479553309 /nfs/dbraw/zinc/55/33/09/479553309.db2.gz RZGXBKNHKTUMAQ-NFAWXSAZSA-N 1 2 340.383 2.947 10 5 EFBELO CC(C)(NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(C)(F)F ZINC000594062365 479573512 /nfs/dbraw/zinc/57/35/12/479573512.db2.gz IYMHCEIAAASIRF-UHFFFAOYSA-N 1 2 338.314 2.944 10 5 EFBELO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000590167877 479613414 /nfs/dbraw/zinc/61/34/14/479613414.db2.gz LUBPJCDVTCPINA-GFCCVEGCSA-N 1 2 343.387 2.606 10 5 EFBELO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000590167877 479613422 /nfs/dbraw/zinc/61/34/22/479613422.db2.gz LUBPJCDVTCPINA-GFCCVEGCSA-N 1 2 343.387 2.606 10 5 EFBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCOC[C@H]2CC2CCC2)c1 ZINC000590381729 479636590 /nfs/dbraw/zinc/63/65/90/479636590.db2.gz CZXNVRLIRPOKDA-MRXNPFEDSA-N 1 2 348.399 2.772 10 5 EFBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCOC[C@H]2CC2CCC2)c1 ZINC000590381729 479636595 /nfs/dbraw/zinc/63/65/95/479636595.db2.gz CZXNVRLIRPOKDA-MRXNPFEDSA-N 1 2 348.399 2.772 10 5 EFBELO C[C@@H](C(=O)N1CCC[C@H](n2cc[nH+]c2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000612538925 479688812 /nfs/dbraw/zinc/68/88/12/479688812.db2.gz BEPACDPAIGHSQL-OCCSQVGLSA-N 1 2 346.362 2.898 10 5 EFBELO CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000619291574 479747262 /nfs/dbraw/zinc/74/72/62/479747262.db2.gz FHPBNNHCDLVKKA-UHFFFAOYSA-N 1 2 326.312 2.894 10 5 EFBELO COc1cc(C(=O)Nc2ccc3[nH+]ccn3c2)c([N+](=O)[O-])cc1OC ZINC000609619446 480188119 /nfs/dbraw/zinc/18/81/19/480188119.db2.gz SHTRRSHXQUCLKB-UHFFFAOYSA-N 1 2 342.311 2.512 10 5 EFBELO COc1ccc(-c2ccc(C[NH2+]Cc3ncc[nH]3)o2)c([N+](=O)[O-])c1 ZINC000610150888 480245596 /nfs/dbraw/zinc/24/55/96/480245596.db2.gz HTQUSFCSAKILAJ-UHFFFAOYSA-N 1 2 328.328 2.876 10 5 EFBELO O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000610667833 480360406 /nfs/dbraw/zinc/36/04/06/480360406.db2.gz FVERAODOGZBPLY-INIZCTEOSA-N 1 2 328.372 2.588 10 5 EFBELO COc1cc(CCNc2cc[nH+]c(C3CC3)n2)c([N+](=O)[O-])cc1OC ZINC000171812912 533769959 /nfs/dbraw/zinc/76/99/59/533769959.db2.gz IFAVCRBWSYJQJP-UHFFFAOYSA-N 1 2 344.371 2.934 10 5 EFBELO Cc1nc([C@@H]2CCC[N@@H+]2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cs1 ZINC000189802625 534572038 /nfs/dbraw/zinc/57/20/38/534572038.db2.gz VFGZLMMLYFIKAE-AWEZNQCLSA-N 1 2 346.412 2.796 10 5 EFBELO Cc1nc([C@@H]2CCC[N@H+]2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cs1 ZINC000189802625 534572046 /nfs/dbraw/zinc/57/20/46/534572046.db2.gz VFGZLMMLYFIKAE-AWEZNQCLSA-N 1 2 346.412 2.796 10 5 EFBELO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000068815528 523273600 /nfs/dbraw/zinc/27/36/00/523273600.db2.gz KZDSMSYHMDJDAA-QGZVFWFLSA-N 1 2 325.368 2.832 10 5 EFBELO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000068815528 523273605 /nfs/dbraw/zinc/27/36/05/523273605.db2.gz KZDSMSYHMDJDAA-QGZVFWFLSA-N 1 2 325.368 2.832 10 5 EFBELO CCCC(=O)N[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OCC)C1 ZINC000175155055 527945805 /nfs/dbraw/zinc/94/58/05/527945805.db2.gz AVJUBGBOENBWRX-OAHLLOKOSA-N 1 2 349.431 2.874 10 5 EFBELO CCCC(=O)N[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OCC)C1 ZINC000175155055 527945809 /nfs/dbraw/zinc/94/58/09/527945809.db2.gz AVJUBGBOENBWRX-OAHLLOKOSA-N 1 2 349.431 2.874 10 5 EFBELO CCCC[N@H+](C)CC1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000352861739 535214205 /nfs/dbraw/zinc/21/42/05/535214205.db2.gz KWFACCFLACKEIM-UHFFFAOYSA-N 1 2 349.431 2.885 10 5 EFBELO CCCC[N@@H+](C)CC1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000352861739 535214211 /nfs/dbraw/zinc/21/42/11/535214211.db2.gz KWFACCFLACKEIM-UHFFFAOYSA-N 1 2 349.431 2.885 10 5 EFBELO COc1cc(C[N@H+](C)CC(=O)Nc2ccc(C)cc2)ccc1[N+](=O)[O-] ZINC000351976850 536745681 /nfs/dbraw/zinc/74/56/81/536745681.db2.gz CVAGLPKEIBGQJF-UHFFFAOYSA-N 1 2 343.383 2.982 10 5 EFBELO COc1cc(C[N@@H+](C)CC(=O)Nc2ccc(C)cc2)ccc1[N+](=O)[O-] ZINC000351976850 536745687 /nfs/dbraw/zinc/74/56/87/536745687.db2.gz CVAGLPKEIBGQJF-UHFFFAOYSA-N 1 2 343.383 2.982 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(C2=NCC(C)(C)S2)CC1 ZINC000757738794 575852013 /nfs/dbraw/zinc/85/20/13/575852013.db2.gz FCQKIXPANHHLSO-UHFFFAOYSA-N 1 2 348.472 2.902 10 5 EFBELO O=C(C[N@@H+]1CC[C@@H](C(F)F)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000761111213 576114831 /nfs/dbraw/zinc/11/48/31/576114831.db2.gz XBMYZZKZZVZIRF-MRVPVSSYSA-N 1 2 333.722 2.774 10 5 EFBELO O=C(C[N@H+]1CC[C@@H](C(F)F)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000761111213 576114834 /nfs/dbraw/zinc/11/48/34/576114834.db2.gz XBMYZZKZZVZIRF-MRVPVSSYSA-N 1 2 333.722 2.774 10 5 EFBELO CC(=O)c1c(NC[C@H](C(C)C)[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000763207145 576367084 /nfs/dbraw/zinc/36/70/84/576367084.db2.gz SAAJDNFJDIOLHC-MRXNPFEDSA-N 1 2 335.404 2.566 10 5 EFBELO C[C@@H]([NH2+]Cc1nc(Br)c[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000922541315 1266232374 /nfs/dbraw/zinc/23/23/74/1266232374.db2.gz QMTBUYSEZVQVBW-MRVPVSSYSA-N 1 2 325.166 2.931 10 5 EFBELO CC[NH+](CC)Cc1csc(NC(=O)c2cc([N+](=O)[O-])cc(C)n2)n1 ZINC001143858145 1278834914 /nfs/dbraw/zinc/83/49/14/1278834914.db2.gz ZDNROUTWLNUTPR-UHFFFAOYSA-N 1 2 349.416 2.849 10 5 EFBELO Cc1cnc2c(c1)N(C(=O)c1ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c1)CC2 ZINC001129196826 1274303045 /nfs/dbraw/zinc/30/30/45/1274303045.db2.gz YETRFEMBJDFSEU-UHFFFAOYSA-N 1 2 349.350 2.687 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844439612 1279008472 /nfs/dbraw/zinc/00/84/72/1279008472.db2.gz PDJMPFFQYPQJML-OAHLLOKOSA-N 1 2 339.342 2.963 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844439612 1279008482 /nfs/dbraw/zinc/00/84/82/1279008482.db2.gz PDJMPFFQYPQJML-OAHLLOKOSA-N 1 2 339.342 2.963 10 5 EFBELO O=C(C[N@@H+]1CC[C@@]2(CC2(F)F)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000844471054 1279026906 /nfs/dbraw/zinc/02/69/06/1279026906.db2.gz NBPNKWDUDVJEAE-CYBMUJFWSA-N 1 2 345.733 2.918 10 5 EFBELO O=C(C[N@H+]1CC[C@@]2(CC2(F)F)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000844471054 1279026918 /nfs/dbraw/zinc/02/69/18/1279026918.db2.gz NBPNKWDUDVJEAE-CYBMUJFWSA-N 1 2 345.733 2.918 10 5 EFBELO O=C(C[N@@H+]1CC[C@@]2(CC2(F)F)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000844469554 1279027334 /nfs/dbraw/zinc/02/73/34/1279027334.db2.gz CLQOVRKTKMCLDI-CYBMUJFWSA-N 1 2 345.733 2.918 10 5 EFBELO O=C(C[N@H+]1CC[C@@]2(CC2(F)F)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000844469554 1279027342 /nfs/dbraw/zinc/02/73/42/1279027342.db2.gz CLQOVRKTKMCLDI-CYBMUJFWSA-N 1 2 345.733 2.918 10 5 EFBELO CC[C@@H](C(=O)OC(C)(C)C)[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000844474340 1279029767 /nfs/dbraw/zinc/02/97/67/1279029767.db2.gz OBEVDMALJKYJGW-GJZGRUSLSA-N 1 2 338.404 2.680 10 5 EFBELO CC[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000844474340 1279029777 /nfs/dbraw/zinc/02/97/77/1279029777.db2.gz OBEVDMALJKYJGW-GJZGRUSLSA-N 1 2 338.404 2.680 10 5 EFBELO Cc1cnc([C@@H](C)[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000794262779 1280123737 /nfs/dbraw/zinc/12/37/37/1280123737.db2.gz ZEZNOBCIFUVKLY-CQSZACIVSA-N 1 2 327.388 2.576 10 5 EFBELO CC(C)CN1CCO[C@@H](C[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000872017816 1287400331 /nfs/dbraw/zinc/40/03/31/1287400331.db2.gz FHYSWOTYYNFRBZ-KGLIPLIRSA-N 1 2 339.411 2.741 10 5 EFBELO C[C@@H]([NH2+][C@H]1Cc2ccccc2N(C)C1=O)c1c(F)cccc1[N+](=O)[O-] ZINC000872086089 1287424768 /nfs/dbraw/zinc/42/47/68/1287424768.db2.gz UIHQDXCZCIMHTG-RISCZKNCSA-N 1 2 343.358 2.972 10 5 EFBELO CN1CCCC[C@H]([N@H+](C)Cc2cc(Cl)ccc2[N+](=O)[O-])C1=O ZINC000872263143 1287508488 /nfs/dbraw/zinc/50/84/88/1287508488.db2.gz JSAZLUMVGBPCFX-AWEZNQCLSA-N 1 2 325.796 2.691 10 5 EFBELO CN1CCCC[C@H]([N@@H+](C)Cc2cc(Cl)ccc2[N+](=O)[O-])C1=O ZINC000872263143 1287508492 /nfs/dbraw/zinc/50/84/92/1287508492.db2.gz JSAZLUMVGBPCFX-AWEZNQCLSA-N 1 2 325.796 2.691 10 5 EFBELO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809942180 1282634538 /nfs/dbraw/zinc/63/45/38/1282634538.db2.gz FQDUJOXHBVUZEY-RKDXNWHRSA-N 1 2 346.214 2.987 10 5 EFBELO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809942180 1282634554 /nfs/dbraw/zinc/63/45/54/1282634554.db2.gz FQDUJOXHBVUZEY-RKDXNWHRSA-N 1 2 346.214 2.987 10 5 EFBELO C[C@@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1nnc2n1CCCCC2 ZINC000815557505 1287594825 /nfs/dbraw/zinc/59/48/25/1287594825.db2.gz WNYZPVBLXZJZSK-NWDGAFQWSA-N 1 2 344.419 2.907 10 5 EFBELO C[N@H+](CCc1ccc2c(c1)OCO2)Cc1cc(O)ccc1[N+](=O)[O-] ZINC001176183439 1287730155 /nfs/dbraw/zinc/73/01/55/1287730155.db2.gz CTDIDIWGKAEFGB-UHFFFAOYSA-N 1 2 330.340 2.704 10 5 EFBELO C[N@@H+](CCc1ccc2c(c1)OCO2)Cc1cc(O)ccc1[N+](=O)[O-] ZINC001176183439 1287730164 /nfs/dbraw/zinc/73/01/64/1287730164.db2.gz CTDIDIWGKAEFGB-UHFFFAOYSA-N 1 2 330.340 2.704 10 5 EFBELO CC(C)c1[nH]cc(CNC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)[nH+]1 ZINC001179092686 1289038110 /nfs/dbraw/zinc/03/81/10/1289038110.db2.gz WNEFFHRWHWYXJW-UHFFFAOYSA-N 1 2 349.366 2.576 10 5 EFBELO CC(C)c1[nH]c(CNC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)c[nH+]1 ZINC001179092686 1289038115 /nfs/dbraw/zinc/03/81/15/1289038115.db2.gz WNEFFHRWHWYXJW-UHFFFAOYSA-N 1 2 349.366 2.576 10 5 EFBELO CC(=O)C1CC[NH+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)CC1 ZINC000872799713 1289388823 /nfs/dbraw/zinc/38/88/23/1289388823.db2.gz LDVJFEQXOBZSLG-UHFFFAOYSA-N 1 2 328.372 2.717 10 5 EFBELO Cc1cc(Cl)c(C(=O)NCCNc2cccc[nH+]2)cc1[N+](=O)[O-] ZINC001182229456 1290112708 /nfs/dbraw/zinc/11/27/08/1290112708.db2.gz TWSVIZLQKABIMA-UHFFFAOYSA-N 1 2 334.763 2.794 10 5 EFBELO C[C@@H]1COCC[N@@H+]1CCNc1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001185291210 1290639274 /nfs/dbraw/zinc/63/92/74/1290639274.db2.gz UYJVTPSPLLUESQ-SNVBAGLBSA-N 1 2 333.310 2.746 10 5 EFBELO C[C@@H]1COCC[N@H+]1CCNc1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001185291210 1290639283 /nfs/dbraw/zinc/63/92/83/1290639283.db2.gz UYJVTPSPLLUESQ-SNVBAGLBSA-N 1 2 333.310 2.746 10 5 EFBELO CC[C@@H](CO)[NH+]1CCN(c2c(Cl)c(Cl)ccc2[N+](=O)[O-])CC1 ZINC001185555483 1290707595 /nfs/dbraw/zinc/70/75/95/1290707595.db2.gz SNZBOBPJJGTUPY-JTQLQIEISA-N 1 2 348.230 2.795 10 5 EFBELO Cc1cc(F)cc(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000126483293 1291216429 /nfs/dbraw/zinc/21/64/29/1291216429.db2.gz GTQZQIOWZPFZGC-ABAIWWIYSA-N 1 2 346.362 2.962 10 5 EFBELO CC(=O)c1c([N+](=O)[O-])cccc1N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000882279736 1293150393 /nfs/dbraw/zinc/15/03/93/1293150393.db2.gz VCKHJYQGJKFXNZ-CQSZACIVSA-N 1 2 327.340 2.850 10 5 EFBELO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCO[C@H](c3cccs3)C2)cc1 ZINC000776585987 1299651892 /nfs/dbraw/zinc/65/18/92/1299651892.db2.gz GLRXHNBAJWTKDF-GJZGRUSLSA-N 1 2 334.397 2.763 10 5 EFBELO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCO[C@H](c3cccs3)C2)cc1 ZINC000776585987 1299651897 /nfs/dbraw/zinc/65/18/97/1299651897.db2.gz GLRXHNBAJWTKDF-GJZGRUSLSA-N 1 2 334.397 2.763 10 5 EFBELO C[C@@H]1COC2(CCCC2)C[N@@H+]1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000853576768 1300174410 /nfs/dbraw/zinc/17/44/10/1300174410.db2.gz FOTRYXZKHYEZQC-CYBMUJFWSA-N 1 2 330.388 2.936 10 5 EFBELO C[C@@H]1COC2(CCCC2)C[N@H+]1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000853576768 1300174417 /nfs/dbraw/zinc/17/44/17/1300174417.db2.gz FOTRYXZKHYEZQC-CYBMUJFWSA-N 1 2 330.388 2.936 10 5 EFBELO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CN1C[C@H](C(F)F)CC1=O ZINC000795417993 1301217366 /nfs/dbraw/zinc/21/73/66/1301217366.db2.gz RMWXTEVDIMMHBL-CYBMUJFWSA-N 1 2 341.358 2.876 10 5 EFBELO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)CN1C[C@H](C(F)F)CC1=O ZINC000795417993 1301217377 /nfs/dbraw/zinc/21/73/77/1301217377.db2.gz RMWXTEVDIMMHBL-CYBMUJFWSA-N 1 2 341.358 2.876 10 5 EFBELO C[N@H+](CCOC1CCOCC1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000859169023 1301395616 /nfs/dbraw/zinc/39/56/16/1301395616.db2.gz ZDYRWZFQCBIHFA-UHFFFAOYSA-N 1 2 328.796 2.876 10 5 EFBELO C[N@@H+](CCOC1CCOCC1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000859169023 1301395629 /nfs/dbraw/zinc/39/56/29/1301395629.db2.gz ZDYRWZFQCBIHFA-UHFFFAOYSA-N 1 2 328.796 2.876 10 5 EFBELO COc1ccc([C@H]2CC[N@H+](Cn3cc([N+](=O)[O-])c(C)n3)C2)cc1F ZINC000863334377 1302589894 /nfs/dbraw/zinc/58/98/94/1302589894.db2.gz AJIYRZQFERSSEN-ZDUSSCGKSA-N 1 2 334.351 2.694 10 5 EFBELO COc1ccc([C@H]2CC[N@@H+](Cn3cc([N+](=O)[O-])c(C)n3)C2)cc1F ZINC000863334377 1302589906 /nfs/dbraw/zinc/58/99/06/1302589906.db2.gz AJIYRZQFERSSEN-ZDUSSCGKSA-N 1 2 334.351 2.694 10 5 EFBELO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000794645873 1302849576 /nfs/dbraw/zinc/84/95/76/1302849576.db2.gz PZQJBNBSQFLUPR-SECBINFHSA-N 1 2 345.277 2.735 10 5 EFBELO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000794645873 1302849587 /nfs/dbraw/zinc/84/95/87/1302849587.db2.gz PZQJBNBSQFLUPR-SECBINFHSA-N 1 2 345.277 2.735 10 5 EFBELO CCC[N@H+](C[C@H]1CCCCO1)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794626762 1302868860 /nfs/dbraw/zinc/86/88/60/1302868860.db2.gz VVBLHQJCGCVLDA-CYBMUJFWSA-N 1 2 349.387 2.741 10 5 EFBELO CCC[N@@H+](C[C@H]1CCCCO1)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794626762 1302868874 /nfs/dbraw/zinc/86/88/74/1302868874.db2.gz VVBLHQJCGCVLDA-CYBMUJFWSA-N 1 2 349.387 2.741 10 5 EFBELO O=[N+]([O-])c1cnc(N[C@H]2CCC[N@H+](CCF)C2)c(C(F)(F)F)c1 ZINC000865928044 1303457964 /nfs/dbraw/zinc/45/79/64/1303457964.db2.gz OTPPFBZKIBLYCO-VIFPVBQESA-N 1 2 336.289 2.854 10 5 EFBELO O=[N+]([O-])c1cnc(N[C@H]2CCC[N@@H+](CCF)C2)c(C(F)(F)F)c1 ZINC000865928044 1303457969 /nfs/dbraw/zinc/45/79/69/1303457969.db2.gz OTPPFBZKIBLYCO-VIFPVBQESA-N 1 2 336.289 2.854 10 5 EFBELO O=[N+]([O-])c1cc(Br)cnc1N[C@@H]1CCC[N@H+](CCF)C1 ZINC000865928048 1303458225 /nfs/dbraw/zinc/45/82/25/1303458225.db2.gz OXWBTYBOMOGZNG-SNVBAGLBSA-N 1 2 347.188 2.598 10 5 EFBELO O=[N+]([O-])c1cc(Br)cnc1N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000865928048 1303458228 /nfs/dbraw/zinc/45/82/28/1303458228.db2.gz OXWBTYBOMOGZNG-SNVBAGLBSA-N 1 2 347.188 2.598 10 5 EFBELO CC(C)(C)OC(=O)C[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000866169016 1303549336 /nfs/dbraw/zinc/54/93/36/1303549336.db2.gz LTBMKSBLYXWMNZ-UHFFFAOYSA-N 1 2 335.404 2.813 10 5 EFBELO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC000802240038 1311496909 /nfs/dbraw/zinc/49/69/09/1311496909.db2.gz TWONABFUIMEHGD-GOEBONIOSA-N 1 2 338.379 2.751 10 5 EFBELO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000802240038 1311496910 /nfs/dbraw/zinc/49/69/10/1311496910.db2.gz TWONABFUIMEHGD-GOEBONIOSA-N 1 2 338.379 2.751 10 5 EFBELO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OCCCc1[nH+]ccn1C ZINC000802785653 1312021704 /nfs/dbraw/zinc/02/17/04/1312021704.db2.gz DUWNXTWQIHWDDC-LBPRGKRZSA-N 1 2 349.412 2.985 10 5 EFBELO COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001264211871 1316601814 /nfs/dbraw/zinc/60/18/14/1316601814.db2.gz GXXNYLGBXUIYMI-UHFFFAOYSA-N 1 2 326.312 2.812 10 5 EFBELO CN(Cc1nccs1)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001265778192 1316875485 /nfs/dbraw/zinc/87/54/85/1316875485.db2.gz CSQOVBLPFWJSSB-UHFFFAOYSA-N 1 2 343.368 2.509 10 5 EFBELO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@@H]3[C@H](C2)C3(F)F)cccc1[N+](=O)[O-] ZINC001307598572 1324773826 /nfs/dbraw/zinc/77/38/26/1324773826.db2.gz XMWSANLXGRQADW-TUAOUCFPSA-N 1 2 339.342 2.817 10 5 EFBELO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@@H]3[C@H](C2)C3(F)F)cccc1[N+](=O)[O-] ZINC001307598572 1324773831 /nfs/dbraw/zinc/77/38/31/1324773831.db2.gz XMWSANLXGRQADW-TUAOUCFPSA-N 1 2 339.342 2.817 10 5 EFBELO CC(C)(C)OC(=O)N1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H]2C[C@H]21 ZINC001308130784 1324796120 /nfs/dbraw/zinc/79/61/20/1324796120.db2.gz QHQIZXUURDNGPL-JKSUJKDBSA-N 1 2 347.415 2.831 10 5 EFBELO CC(C)(C)OC(=O)N1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H]2C[C@H]21 ZINC001308130784 1324796124 /nfs/dbraw/zinc/79/61/24/1324796124.db2.gz QHQIZXUURDNGPL-JKSUJKDBSA-N 1 2 347.415 2.831 10 5 EFBELO CC[N@H+](CCNC(=O)c1cc[nH]c1C)Cc1csc([N+](=O)[O-])c1 ZINC001317476686 1324858805 /nfs/dbraw/zinc/85/88/05/1324858805.db2.gz YYUMMPCSVOVKCA-UHFFFAOYSA-N 1 2 336.417 2.545 10 5 EFBELO CC[N@@H+](CCNC(=O)c1cc[nH]c1C)Cc1csc([N+](=O)[O-])c1 ZINC001317476686 1324858813 /nfs/dbraw/zinc/85/88/13/1324858813.db2.gz YYUMMPCSVOVKCA-UHFFFAOYSA-N 1 2 336.417 2.545 10 5 EFBELO CCNc1cc(CNC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)cc[nH+]1 ZINC001313319501 1325012556 /nfs/dbraw/zinc/01/25/56/1325012556.db2.gz HDYOCQULDPGDHG-UHFFFAOYSA-N 1 2 341.371 2.647 10 5 EFBELO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Br)CC1(CO)CC1 ZINC001334159334 1331257588 /nfs/dbraw/zinc/25/75/88/1331257588.db2.gz YVQOFTVWUUZSLM-UHFFFAOYSA-N 1 2 329.194 2.562 10 5 EFBELO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Br)CC1(CO)CC1 ZINC001334159334 1331257593 /nfs/dbraw/zinc/25/75/93/1331257593.db2.gz YVQOFTVWUUZSLM-UHFFFAOYSA-N 1 2 329.194 2.562 10 5 EFBELO COc1ccc2c(c1)C[C@@H](C[N@@H+]1Cc3ccc([N+](=O)[O-])cc3C1)O2 ZINC001335538055 1331369935 /nfs/dbraw/zinc/36/99/35/1331369935.db2.gz ZNMZSTICDOJNCO-KRWDZBQOSA-N 1 2 326.352 2.923 10 5 EFBELO COc1ccc2c(c1)C[C@@H](C[N@H+]1Cc3ccc([N+](=O)[O-])cc3C1)O2 ZINC001335538055 1331369940 /nfs/dbraw/zinc/36/99/40/1331369940.db2.gz ZNMZSTICDOJNCO-KRWDZBQOSA-N 1 2 326.352 2.923 10 5 EFBELO C[C@@H]([NH2+]Cc1c(Br)cccc1[N+](=O)[O-])c1cn[nH]c1 ZINC001341080183 1332232594 /nfs/dbraw/zinc/23/25/94/1332232594.db2.gz WXMMOKOTYKUYAI-MRVPVSSYSA-N 1 2 325.166 2.931 10 5 EFBELO CN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)c1nccs1 ZINC001349512350 1332963118 /nfs/dbraw/zinc/96/31/18/1332963118.db2.gz DHPXYXFLPWLOHV-UHFFFAOYSA-N 1 2 329.341 2.514 10 5 EFBELO CC(C)([C@@H]([NH2+]CC[N+](=O)[O-])c1ccc(F)c(F)c1)N1CCCC1 ZINC001354584225 1334389303 /nfs/dbraw/zinc/38/93/03/1334389303.db2.gz LEEMIHNHAFHGPW-HNNXBMFYSA-N 1 2 327.375 2.747 10 5 EFBELO O=C(NCc1cccc(F)c1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001355579063 1334820174 /nfs/dbraw/zinc/82/01/74/1334820174.db2.gz MCKYBMTYGADVED-UHFFFAOYSA-N 1 2 340.314 2.850 10 5 EFBELO CC1(C)C[C@H](OC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CO1 ZINC000849793411 1335759226 /nfs/dbraw/zinc/75/92/26/1335759226.db2.gz HOKTZTAVKONWSZ-LBPRGKRZSA-N 1 2 331.328 2.505 10 5 EFBELO CN(C)c1cc(F)c(C(=O)Nc2cccc3[nH+]ccn32)cc1[N+](=O)[O-] ZINC001360225169 1335937231 /nfs/dbraw/zinc/93/72/31/1335937231.db2.gz OENLMZZFKHKAOI-UHFFFAOYSA-N 1 2 343.318 2.700 10 5 EFBELO C[N@H+]1C[C@H]2CC[C@@H](C1)N2c1ccc([N+](=O)[O-])cc1Br ZINC001458529547 1395489800 /nfs/dbraw/zinc/48/98/00/1395489800.db2.gz QCCDFUIWIYGWOW-PHIMTYICSA-N 1 2 326.194 2.640 10 5 EFBELO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2c1ccc([N+](=O)[O-])cc1Br ZINC001458529547 1395489802 /nfs/dbraw/zinc/48/98/02/1395489802.db2.gz QCCDFUIWIYGWOW-PHIMTYICSA-N 1 2 326.194 2.640 10 5 EFBELO O=[N+]([O-])c1ccc2[nH]c(C[NH+]3CCC(c4ncco4)CC3)nc2c1 ZINC001460599996 1396237707 /nfs/dbraw/zinc/23/77/07/1396237707.db2.gz ALIXDFTVLBQBEA-UHFFFAOYSA-N 1 2 327.344 2.839 10 5 EFBELO C[C@](CO)([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001460619687 1396239157 /nfs/dbraw/zinc/23/91/57/1396239157.db2.gz IXFQAYUNHBSYKV-MRXNPFEDSA-N 1 2 349.318 2.639 10 5 EFBELO O=C(NCc1[nH]c2c([nH+]1)CCCC2)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC001472065290 1397242459 /nfs/dbraw/zinc/24/24/59/1397242459.db2.gz ULYQLVZLIRYDHD-UHFFFAOYSA-N 1 2 339.355 2.608 10 5 EFBELO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC001473709770 1397324114 /nfs/dbraw/zinc/32/41/14/1397324114.db2.gz CZVADXQRHLOXSM-IAGOWNOFSA-N 1 2 348.786 2.872 10 5 EFBELO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC001473709770 1397324116 /nfs/dbraw/zinc/32/41/16/1397324116.db2.gz CZVADXQRHLOXSM-IAGOWNOFSA-N 1 2 348.786 2.872 10 5 EFBELO Nc1ccc(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)cc1[N+](=O)[O-] ZINC001556894656 1415093928 /nfs/dbraw/zinc/09/39/28/1415093928.db2.gz PEAPGRRVHREDJH-UHFFFAOYSA-N 1 2 337.339 2.674 10 5 EFBELO Nc1ccc(NC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)cc1[N+](=O)[O-] ZINC001556894775 1415094097 /nfs/dbraw/zinc/09/40/97/1415094097.db2.gz UHTOHSSGMALJQC-LLVKDONJSA-N 1 2 343.265 2.506 10 5 EFBELO CN(CCCNC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1cccc[nH+]1 ZINC001558090823 1415159607 /nfs/dbraw/zinc/15/96/07/1415159607.db2.gz RAABWUIQFVTSCE-UHFFFAOYSA-N 1 2 348.790 2.900 10 5 EFBELO O=C(Nc1cnc2[nH]ccc2c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001558286822 1415169901 /nfs/dbraw/zinc/16/99/01/1415169901.db2.gz YEIOXWKTLIFOCA-UHFFFAOYSA-N 1 2 348.322 2.861 10 5 EFBELO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCc1[nH]c2c([nH+]1)CCCC2 ZINC001558533762 1415186049 /nfs/dbraw/zinc/18/60/49/1415186049.db2.gz IOSCBLMMBJTEOJ-UHFFFAOYSA-N 1 2 328.372 2.744 10 5 EFBELO CC(C)(F)C(=O)NC1(C)CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001723996164 1424619134 /nfs/dbraw/zinc/61/91/34/1424619134.db2.gz JYDOYPULWFTINY-UHFFFAOYSA-N 1 2 343.424 2.875 10 5 EFBELO O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000804673439 713394343 /nfs/dbraw/zinc/39/43/43/713394343.db2.gz CFTCOCSJXZETKY-GFCCVEGCSA-N 1 2 330.300 2.556 10 5 EFBELO CO[C@H]1CC[C@H]1[N@H+](C)Cc1cccc([N+](=O)[O-])c1Br ZINC000724122828 715189878 /nfs/dbraw/zinc/18/98/78/715189878.db2.gz UEDSGBNHAIBFBX-PWSUYJOCSA-N 1 2 329.194 2.967 10 5 EFBELO CO[C@H]1CC[C@H]1[N@@H+](C)Cc1cccc([N+](=O)[O-])c1Br ZINC000724122828 715189880 /nfs/dbraw/zinc/18/98/80/715189880.db2.gz UEDSGBNHAIBFBX-PWSUYJOCSA-N 1 2 329.194 2.967 10 5 EFBELO CO[C@@H]1CC[C@@H]1[N@H+](C)Cc1cccc([N+](=O)[O-])c1Br ZINC000724122826 715189914 /nfs/dbraw/zinc/18/99/14/715189914.db2.gz UEDSGBNHAIBFBX-CMPLNLGQSA-N 1 2 329.194 2.967 10 5 EFBELO CO[C@@H]1CC[C@@H]1[N@@H+](C)Cc1cccc([N+](=O)[O-])c1Br ZINC000724122826 715189915 /nfs/dbraw/zinc/18/99/15/715189915.db2.gz UEDSGBNHAIBFBX-CMPLNLGQSA-N 1 2 329.194 2.967 10 5 EFBELO O=[N+]([O-])c1ccc(F)cc1CN1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000177783273 718200397 /nfs/dbraw/zinc/20/03/97/718200397.db2.gz GZPBMHOVPALBMJ-UHFFFAOYSA-N 1 2 345.374 2.757 10 5 EFBELO C[C@H]([NH2+]Cc1nc(Br)c[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000311934930 719273632 /nfs/dbraw/zinc/27/36/32/719273632.db2.gz WOZREOBZVPZBLX-QMMMGPOBSA-N 1 2 325.166 2.931 10 5 EFBELO Cc1cn(C(C)(C)C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)c[nH+]1 ZINC000896508822 723331396 /nfs/dbraw/zinc/33/13/96/723331396.db2.gz JKGIMBOOXUFUIW-UHFFFAOYSA-N 1 2 344.415 2.974 10 5 EFBELO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c1C ZINC000896885464 723568462 /nfs/dbraw/zinc/56/84/62/723568462.db2.gz RCYRPIPJURBLOT-UHFFFAOYSA-N 1 2 328.372 2.955 10 5 EFBELO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c1C ZINC000896885464 723568464 /nfs/dbraw/zinc/56/84/64/723568464.db2.gz RCYRPIPJURBLOT-UHFFFAOYSA-N 1 2 328.372 2.955 10 5 EFBELO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000911570536 727562853 /nfs/dbraw/zinc/56/28/53/727562853.db2.gz IVTOFTMPJAMLTJ-GFCCVEGCSA-N 1 2 348.790 2.509 10 5 EFBELO C[C@@](CO)(Cc1ccccc1F)[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000865716417 1126115723 /nfs/dbraw/zinc/11/57/23/1126115723.db2.gz SMERSZKFUBEIRU-KRWDZBQOSA-N 1 2 334.347 2.523 10 5 EFBELO CN(C(=O)C[N@@H+]1CCO[C@H](C(C)(C)C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC001648654378 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2.650 10 5 EFBELO O=C(CCc1cc(F)ccc1[N+](=O)[O-])NCc1ccn2cc[nH+]c2c1 ZINC001595725001 1094488663 /nfs/dbraw/zinc/48/86/63/1094488663.db2.gz OPECZNXUEZFGHW-UHFFFAOYSA-N 1 2 342.330 2.631 10 5 EFBELO O=C(NC[C@@H]1Cc2ccccc21)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001596725607 1094544339 /nfs/dbraw/zinc/54/43/39/1094544339.db2.gz PPGRDBKUFOGYKF-HNNXBMFYSA-N 1 2 348.362 2.850 10 5 EFBELO Cc1ccc(C[N@@H+]2CCO[C@H](CNc3cccnc3[N+](=O)[O-])C2)cc1 ZINC001612774486 1099078133 /nfs/dbraw/zinc/07/81/33/1099078133.db2.gz CEWRSIPKSRLWCR-MRXNPFEDSA-N 1 2 342.399 2.611 10 5 EFBELO Cc1ccc(C[N@H+]2CCO[C@H](CNc3cccnc3[N+](=O)[O-])C2)cc1 ZINC001612774486 1099078145 /nfs/dbraw/zinc/07/81/45/1099078145.db2.gz CEWRSIPKSRLWCR-MRXNPFEDSA-N 1 2 342.399 2.611 10 5 EFBELO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC001615429693 1099158745 /nfs/dbraw/zinc/15/87/45/1099158745.db2.gz OAUDGEOEVBPVBD-CYBMUJFWSA-N 1 2 344.371 2.667 10 5 EFBELO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H](CCO)c3ccccc3F)nc2c1 ZINC001618798082 1099320735 /nfs/dbraw/zinc/32/07/35/1099320735.db2.gz IQRBRTYALQNJMY-AWEZNQCLSA-N 1 2 344.346 2.824 10 5 EFBELO Cc1noc(C[NH2+][C@@]2(CO)CC[C@H](C)c3ccccc32)c1[N+](=O)[O-] ZINC001620670468 1099367713 /nfs/dbraw/zinc/36/77/13/1099367713.db2.gz QETYLTIXELJDLY-APPDUMDISA-N 1 2 331.372 2.766 10 5 EFBELO O=C(NCc1ccn2cc[nH+]c2c1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001622735932 1099539913 /nfs/dbraw/zinc/53/99/13/1099539913.db2.gz XKIFMCLLYNTRCK-CVEARBPZSA-N 1 2 336.351 2.662 10 5 EFBELO Cc1cc(CNC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)cc(C)[nH+]1 ZINC001626808609 1099920537 /nfs/dbraw/zinc/92/05/37/1099920537.db2.gz HWKQWUMNJSGELM-UHFFFAOYSA-N 1 2 343.368 2.541 10 5 EFBELO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC001627048047 1099952659 /nfs/dbraw/zinc/95/26/59/1099952659.db2.gz NFNHTNDHRNYZST-LBPRGKRZSA-N 1 2 332.335 2.716 10 5 EFBELO Nc1c(Cl)cc(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1[N+](=O)[O-] ZINC001627830089 1100036694 /nfs/dbraw/zinc/03/66/94/1100036694.db2.gz BTFZGNAFUFQZFE-SECBINFHSA-N 1 2 349.778 2.573 10 5 EFBELO CN(CCCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1cccc[nH+]1 ZINC001633060496 1100519102 /nfs/dbraw/zinc/51/91/02/1100519102.db2.gz KPVBTHODXLVJOB-UHFFFAOYSA-N 1 2 348.790 2.900 10 5 EFBELO O=C(Cc1ccc(-n2cc[nH+]c2)cc1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001634842243 1100632701 /nfs/dbraw/zinc/63/27/01/1100632701.db2.gz CKCANCCJBMPWDS-UHFFFAOYSA-N 1 2 348.362 2.865 10 5 EFBELO Cc1cc(F)cc(C(=O)NCc2[nH]c3c([nH+]2)CCCC3)c1[N+](=O)[O-] ZINC001635855092 1100684473 /nfs/dbraw/zinc/68/44/73/1100684473.db2.gz ZIGGPHCAWISXBW-UHFFFAOYSA-N 1 2 332.335 2.574 10 5 EFBELO COc1cc(C(=O)NCc2c[nH]c(C(C)C)[nH+]2)cc([N+](=O)[O-])c1C ZINC001636017112 1100693461 /nfs/dbraw/zinc/69/34/61/1100693461.db2.gz YINXBNJFKPNFMW-UHFFFAOYSA-N 1 2 332.360 2.688 10 5 EFBELO COc1cc(C(=O)NCc2c[nH+]c(C(C)C)[nH]2)cc([N+](=O)[O-])c1C ZINC001636017112 1100693464 /nfs/dbraw/zinc/69/34/64/1100693464.db2.gz YINXBNJFKPNFMW-UHFFFAOYSA-N 1 2 332.360 2.688 10 5 EFBELO CN(C)c1[nH+]ccc2c1CN(c1c([N+](=O)[O-])cccc1[N+](=O)[O-])CC2 ZINC001640535739 1101057011 /nfs/dbraw/zinc/05/70/11/1101057011.db2.gz ILTRYQADXNMQAV-UHFFFAOYSA-N 1 2 343.343 2.527 10 5 EFBELO Cn1ncc([N+](=O)[O-])c1NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC001642719806 1101235285 /nfs/dbraw/zinc/23/52/85/1101235285.db2.gz MVBPZRWZYZAWCD-UHFFFAOYSA-N 1 2 332.751 2.780 10 5 EFBELO CNc1cc(CNc2ncc([N+](=O)[O-])cc2Br)cc[nH+]1 ZINC001643214247 1101280639 /nfs/dbraw/zinc/28/06/39/1101280639.db2.gz VTZJOTVKFULKQN-UHFFFAOYSA-N 1 2 338.165 2.801 10 5 EFBELO CCc1[nH]c(CNc2ncc([N+](=O)[O-])cc2Br)c[nH+]1 ZINC001643237162 1101283661 /nfs/dbraw/zinc/28/36/61/1101283661.db2.gz GPJLBWZLMZOUNN-UHFFFAOYSA-N 1 2 326.154 2.650 10 5 EFBELO CCc1[nH]cc(CNc2ncc([N+](=O)[O-])cc2Br)[nH+]1 ZINC001643237162 1101283665 /nfs/dbraw/zinc/28/36/65/1101283665.db2.gz GPJLBWZLMZOUNN-UHFFFAOYSA-N 1 2 326.154 2.650 10 5 EFBELO Nc1[nH+]cccc1CNc1ncnc2c(Cl)cc([N+](=O)[O-])cc12 ZINC001651860332 1101397864 /nfs/dbraw/zinc/39/78/64/1101397864.db2.gz HDBPZELZKUUZHK-UHFFFAOYSA-N 1 2 330.735 2.781 10 5 EFBELO Cn1cc([N+](=O)[O-])c(NCc2c(Cl)cccc2-n2cc[nH+]c2)n1 ZINC001651881673 1101399213 /nfs/dbraw/zinc/39/92/13/1101399213.db2.gz ICVIBNYWIHLKDE-UHFFFAOYSA-N 1 2 332.751 2.780 10 5 EFBELO CC(C)c1[nH]cc(CNC(=O)CCNc2ccccc2[N+](=O)[O-])[nH+]1 ZINC001652743520 1101539841 /nfs/dbraw/zinc/53/98/41/1101539841.db2.gz OEMWTHPMYBAPKM-UHFFFAOYSA-N 1 2 331.376 2.560 10 5 EFBELO CC(C)c1[nH]c(CNC(=O)CCNc2ccccc2[N+](=O)[O-])c[nH+]1 ZINC001652743520 1101539848 /nfs/dbraw/zinc/53/98/48/1101539848.db2.gz OEMWTHPMYBAPKM-UHFFFAOYSA-N 1 2 331.376 2.560 10 5 EFBELO O=[N+]([O-])c1cccc(C[NH+]2CCN(c3ncnc4ccccc43)CC2)c1 ZINC000068321632 1101613745 /nfs/dbraw/zinc/61/37/45/1101613745.db2.gz OELIXXXBQAUMRZ-UHFFFAOYSA-N 1 2 349.394 2.860 10 5 EFBELO Cn1c(=O)c([N+](=O)[O-])c(NCc2ccn3cc[nH+]c3c2)c2ccccc21 ZINC001655263733 1101799218 /nfs/dbraw/zinc/79/92/18/1101799218.db2.gz LNVMPEXRLAGVOV-UHFFFAOYSA-N 1 2 349.350 2.707 10 5 EFBELO Cc1cc(-n2cc[nH+]c2)ccc1CSc1ncc([N+](=O)[O-])c(N)n1 ZINC001656569563 1102124920 /nfs/dbraw/zinc/12/49/20/1102124920.db2.gz OWHYJEZKNIUJCR-UHFFFAOYSA-N 1 2 342.384 2.753 10 5 EFBELO CCOc1cccnc1N1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001660160762 1102621563 /nfs/dbraw/zinc/62/15/63/1102621563.db2.gz LHSSIKTWQPXMOJ-UHFFFAOYSA-N 1 2 342.399 2.711 10 5 EFBELO C[C@H](Cn1cc[nH+]c1)NC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000906201669 1104000809 /nfs/dbraw/zinc/00/08/09/1104000809.db2.gz ZSELKJPRTWBVPT-LLVKDONJSA-N 1 2 336.779 2.582 10 5 EFBELO Cc1cn(C(C)(C)C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)c[nH+]1 ZINC000897682895 1106047749 /nfs/dbraw/zinc/04/77/49/1106047749.db2.gz BDQFMGNNHNXTND-UHFFFAOYSA-N 1 2 330.388 2.536 10 5 EFBELO O=C(N[C@@H]1CCC[N@H+](CCF)C1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000898502715 1108987237 /nfs/dbraw/zinc/98/72/37/1108987237.db2.gz CJWMWYIIFICWAD-CQSZACIVSA-N 1 2 345.374 2.912 10 5 EFBELO O=C(N[C@@H]1CCC[N@@H+](CCF)C1)c1cc([N+](=O)[O-])cc2ccccc21 ZINC000898502715 1108987241 /nfs/dbraw/zinc/98/72/41/1108987241.db2.gz CJWMWYIIFICWAD-CQSZACIVSA-N 1 2 345.374 2.912 10 5 EFBELO Cc1nc(N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)cc[nH+]1 ZINC000266183359 282187631 /nfs/dbraw/zinc/18/76/31/282187631.db2.gz WCHVNFMOLJGRIQ-UHFFFAOYSA-N 1 2 333.779 2.673 10 5 EFBELO Cc1sc(C(=O)NCCCCNc2cccc[nH+]2)cc1[N+](=O)[O-] ZINC000104002670 219337276 /nfs/dbraw/zinc/33/72/76/219337276.db2.gz SKYWBDCMLOFVLR-UHFFFAOYSA-N 1 2 334.401 2.982 10 5 EFBELO CCc1nsc(N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3C)CC2)n1 ZINC000183364683 235029919 /nfs/dbraw/zinc/02/99/19/235029919.db2.gz XRHZJKOGWIAALG-UHFFFAOYSA-N 1 2 347.444 2.639 10 5 EFBELO Cc1nc(N2CCN(Cc3cc([N+](=O)[O-])ccc3Cl)CC2)cc[nH+]1 ZINC000183764804 235219832 /nfs/dbraw/zinc/21/98/32/235219832.db2.gz ZCHNEJZWYZCKIM-UHFFFAOYSA-N 1 2 347.806 2.669 10 5 EFBELO CCn1cc([C@@H]2C[N@H+](Cc3ccc(C)c([N+](=O)[O-])c3)CCO2)cn1 ZINC000191697173 239253724 /nfs/dbraw/zinc/25/37/24/239253724.db2.gz CCENCRNSYVZBSR-KRWDZBQOSA-N 1 2 330.388 2.693 10 5 EFBELO CCn1cc([C@@H]2C[N@@H+](Cc3ccc(C)c([N+](=O)[O-])c3)CCO2)cn1 ZINC000191697173 239253729 /nfs/dbraw/zinc/25/37/29/239253729.db2.gz CCENCRNSYVZBSR-KRWDZBQOSA-N 1 2 330.388 2.693 10 5 EFBELO Cc1cnn(C[C@@H]2C[N@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)CCO2)c1 ZINC000247021425 243352797 /nfs/dbraw/zinc/35/27/97/243352797.db2.gz CQWMEGBKWHPUCO-PBHICJAKSA-N 1 2 330.388 2.562 10 5 EFBELO Cc1cnn(C[C@@H]2C[N@@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)CCO2)c1 ZINC000247021425 243352801 /nfs/dbraw/zinc/35/28/01/243352801.db2.gz CQWMEGBKWHPUCO-PBHICJAKSA-N 1 2 330.388 2.562 10 5 EFBELO Cc1cc(C)n(C[C@H]2C[N@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)CCO2)n1 ZINC000247009461 243353847 /nfs/dbraw/zinc/35/38/47/243353847.db2.gz BYTKOEWJHRWSKC-CRAIPNDOSA-N 1 2 344.415 2.870 10 5 EFBELO Cc1cc(C)n(C[C@H]2C[N@@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)CCO2)n1 ZINC000247009461 243353859 /nfs/dbraw/zinc/35/38/59/243353859.db2.gz BYTKOEWJHRWSKC-CRAIPNDOSA-N 1 2 344.415 2.870 10 5 EFBELO Cc1cc(CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)cc(C)[nH+]1 ZINC000421581321 246024963 /nfs/dbraw/zinc/02/49/63/246024963.db2.gz YDUGSJGETGWUOA-UHFFFAOYSA-N 1 2 335.310 2.744 10 5 EFBELO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000421760780 246102191 /nfs/dbraw/zinc/10/21/91/246102191.db2.gz XUYLQBBJYMNKLU-UHFFFAOYSA-N 1 2 328.372 2.955 10 5 EFBELO O=C([C@@H]1CCCn2cc[nH+]c21)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000178681206 284489084 /nfs/dbraw/zinc/48/90/84/284489084.db2.gz DOCHUAGQZWVLGP-OAHLLOKOSA-N 1 2 340.383 2.860 10 5 EFBELO Cc1nc([C@](C)([NH2+]CCOc2cccc([N+](=O)[O-])c2)C2CC2)no1 ZINC000433288420 248037611 /nfs/dbraw/zinc/03/76/11/248037611.db2.gz NSSYOXRVLBBOCU-MRXNPFEDSA-N 1 2 332.360 2.580 10 5 EFBELO COc1cc(C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])cc1OC ZINC000091978989 218098728 /nfs/dbraw/zinc/09/87/28/218098728.db2.gz TWRNIKWCQCJHEI-DZGCQCFKSA-N 1 2 336.388 2.755 10 5 EFBELO COc1cc(C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])cc1OC ZINC000091978989 218098732 /nfs/dbraw/zinc/09/87/32/218098732.db2.gz TWRNIKWCQCJHEI-DZGCQCFKSA-N 1 2 336.388 2.755 10 5 EFBELO COC(=O)c1cc(N2CCCC[C@@H]2c2[nH]cc[nH+]2)ccc1[N+](=O)[O-] ZINC000092666345 218157601 /nfs/dbraw/zinc/15/76/01/218157601.db2.gz LIRXTNQNZVBARV-CQSZACIVSA-N 1 2 330.344 2.836 10 5 EFBELO COC(=O)c1ccc(NCc2cn3ccccc3[nH+]2)c([N+](=O)[O-])c1 ZINC000009337922 211070880 /nfs/dbraw/zinc/07/08/80/211070880.db2.gz FFWVSQVEDIZFCA-UHFFFAOYSA-N 1 2 326.312 2.641 10 5 EFBELO O=C(NCCCn1cc[nH+]c1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000444825195 250354352 /nfs/dbraw/zinc/35/43/52/250354352.db2.gz JESFDKMDYLKABS-UHFFFAOYSA-N 1 2 346.390 2.698 10 5 EFBELO O=[N+]([O-])c1cc(C[N@@H+]2C[C@H](c3ccccc3)[C@@](F)(CO)C2)cs1 ZINC000449432042 251024455 /nfs/dbraw/zinc/02/44/55/251024455.db2.gz ZWWZNXXEXYAFIH-ZBFHGGJFSA-N 1 2 336.388 2.956 10 5 EFBELO O=[N+]([O-])c1cc(C[N@H+]2C[C@H](c3ccccc3)[C@@](F)(CO)C2)cs1 ZINC000449432042 251024460 /nfs/dbraw/zinc/02/44/60/251024460.db2.gz ZWWZNXXEXYAFIH-ZBFHGGJFSA-N 1 2 336.388 2.956 10 5 EFBELO C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C1CCN(CC(F)(F)F)CC1 ZINC000449758336 251144332 /nfs/dbraw/zinc/14/43/32/251144332.db2.gz GATUZGYUQBWBGY-UHFFFAOYSA-N 1 2 347.337 2.759 10 5 EFBELO C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C1CCN(CC(F)(F)F)CC1 ZINC000449758336 251144334 /nfs/dbraw/zinc/14/43/34/251144334.db2.gz GATUZGYUQBWBGY-UHFFFAOYSA-N 1 2 347.337 2.759 10 5 EFBELO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000467376285 256010219 /nfs/dbraw/zinc/01/02/19/256010219.db2.gz JDCBCYCZDFXXNA-NXUVIRJOSA-N 1 2 330.384 2.882 10 5 EFBELO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000467376285 256010221 /nfs/dbraw/zinc/01/02/21/256010221.db2.gz JDCBCYCZDFXXNA-NXUVIRJOSA-N 1 2 330.384 2.882 10 5 EFBELO CC1CC[NH+](CCCCNC(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000346144356 142153868 /nfs/dbraw/zinc/15/38/68/142153868.db2.gz AAXCCSPRAMZANN-UHFFFAOYSA-N 1 2 335.404 2.542 10 5 EFBELO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CCN(c2ccc(F)cn2)CC1 ZINC000349405024 142327917 /nfs/dbraw/zinc/32/79/17/142327917.db2.gz GWOLFGOOJNAATA-HYXAFXHYSA-N 1 2 342.374 2.964 10 5 EFBELO Cc1sc(C(=O)NCc2cn3cc(C)ccc3[nH+]2)cc1[N+](=O)[O-] ZINC000342172823 145075388 /nfs/dbraw/zinc/07/53/88/145075388.db2.gz MVJNRCDYDVSUMX-UHFFFAOYSA-N 1 2 330.369 2.851 10 5 EFBELO Cc1cc(NCC[C@H]2CCOC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000343875693 145314429 /nfs/dbraw/zinc/31/44/29/145314429.db2.gz NSMFXRQTVVQTSP-ZDUSSCGKSA-N 1 2 328.372 2.621 10 5 EFBELO CN(Cc1[nH+]ccn1C)C(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000348459534 145951561 /nfs/dbraw/zinc/95/15/61/145951561.db2.gz WHXUHMOESJBNIU-UHFFFAOYSA-N 1 2 342.277 2.619 10 5 EFBELO Cc1cn2cc(NS(=O)(=O)c3c(C)cccc3[N+](=O)[O-])ccc2[nH+]1 ZINC000350742075 146086291 /nfs/dbraw/zinc/08/62/91/146086291.db2.gz TYGLMCFDCOSOJT-UHFFFAOYSA-N 1 2 346.368 2.660 10 5 EFBELO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000368092169 150033760 /nfs/dbraw/zinc/03/37/60/150033760.db2.gz JIHNZWBOSMYMEU-QMMMGPOBSA-N 1 2 335.751 2.650 10 5 EFBELO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000368092169 150033763 /nfs/dbraw/zinc/03/37/63/150033763.db2.gz JIHNZWBOSMYMEU-QMMMGPOBSA-N 1 2 335.751 2.650 10 5 EFBELO Cc1sc(C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000373073396 151108816 /nfs/dbraw/zinc/10/88/16/151108816.db2.gz DFBORMVQYFTKNU-LLVKDONJSA-N 1 2 334.401 2.718 10 5 EFBELO C[C@@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000374015533 151268211 /nfs/dbraw/zinc/26/82/11/151268211.db2.gz WBPWVEBFGKWLOT-JMSVASOKSA-N 1 2 326.418 2.815 10 5 EFBELO C[C@@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000374015533 151268213 /nfs/dbraw/zinc/26/82/13/151268213.db2.gz WBPWVEBFGKWLOT-JMSVASOKSA-N 1 2 326.418 2.815 10 5 EFBELO CC1CCC([NH+]2CCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])CC2)CC1 ZINC000408071323 152149225 /nfs/dbraw/zinc/14/92/25/152149225.db2.gz JPPNDSMHNXNDRQ-UHFFFAOYSA-N 1 2 347.415 2.637 10 5 EFBELO Cc1cc(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc([N+](=O)[O-])c1 ZINC000123511162 222289739 /nfs/dbraw/zinc/28/97/39/222289739.db2.gz GLJFQNPQIYQIEY-CJNGLKHVSA-N 1 2 328.372 2.823 10 5 EFBELO COc1cc(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000123613242 222305374 /nfs/dbraw/zinc/30/53/74/222305374.db2.gz CMLKMRLWCIQTES-DOMZBBRYSA-N 1 2 344.371 2.523 10 5 EFBELO CCc1nn(C)c(NCc2ccc(Cn3cc[nH+]c3)cc2)c1[N+](=O)[O-] ZINC000092828837 544550050 /nfs/dbraw/zinc/55/00/50/544550050.db2.gz FUCDTLMDSSFJNA-UHFFFAOYSA-N 1 2 340.387 2.748 10 5 EFBELO Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc3[nH]c(C(C)(C)C)[nH+]c3c2)n1 ZINC000271405870 265967673 /nfs/dbraw/zinc/96/76/73/265967673.db2.gz NMZSQFDFQKPVJS-UHFFFAOYSA-N 1 2 342.359 2.754 10 5 EFBELO COC(=O)c1ccc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)nc1 ZINC000351760845 274002084 /nfs/dbraw/zinc/00/20/84/274002084.db2.gz ONIMPIOAUPEACN-UHFFFAOYSA-N 1 2 341.367 2.941 10 5 EFBELO COC(=O)c1ccc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)nc1 ZINC000351760845 274002088 /nfs/dbraw/zinc/00/20/88/274002088.db2.gz ONIMPIOAUPEACN-UHFFFAOYSA-N 1 2 341.367 2.941 10 5 EFBELO COc1ccc(OCC[N@@H+]2CCC[C@H]2c2cc[nH]n2)c([N+](=O)[O-])c1 ZINC000286169038 274146447 /nfs/dbraw/zinc/14/64/47/274146447.db2.gz OMVLDDFJTSMHTQ-AWEZNQCLSA-N 1 2 332.360 2.542 10 5 EFBELO COc1ccc(OCC[N@H+]2CCC[C@H]2c2cc[nH]n2)c([N+](=O)[O-])c1 ZINC000286169038 274146448 /nfs/dbraw/zinc/14/64/48/274146448.db2.gz OMVLDDFJTSMHTQ-AWEZNQCLSA-N 1 2 332.360 2.542 10 5 EFBELO Cc1nc(N2CCN(c3cc(Cl)ccc3[N+](=O)[O-])CC2)cc[nH+]1 ZINC000286998192 274318985 /nfs/dbraw/zinc/31/89/85/274318985.db2.gz ULCNJGNXSSXSBZ-UHFFFAOYSA-N 1 2 333.779 2.673 10 5 EFBELO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000373734117 281653133 /nfs/dbraw/zinc/65/31/33/281653133.db2.gz ARGCDEBIIBJSDP-OAHLLOKOSA-N 1 2 343.387 2.882 10 5 EFBELO O=C(C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)NCC1CCCCC1 ZINC000153090840 293360146 /nfs/dbraw/zinc/36/01/46/293360146.db2.gz UOASNRXJDRGHLP-UHFFFAOYSA-N 1 2 331.416 2.649 10 5 EFBELO O=C(C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)NCC1CCCCC1 ZINC000153090840 293360147 /nfs/dbraw/zinc/36/01/47/293360147.db2.gz UOASNRXJDRGHLP-UHFFFAOYSA-N 1 2 331.416 2.649 10 5 EFBELO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153291931 293369178 /nfs/dbraw/zinc/36/91/78/293369178.db2.gz KYPDGGIHHWHLJG-CJNGLKHVSA-N 1 2 331.416 2.648 10 5 EFBELO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153291931 293369179 /nfs/dbraw/zinc/36/91/79/293369179.db2.gz KYPDGGIHHWHLJG-CJNGLKHVSA-N 1 2 331.416 2.648 10 5 EFBELO CC(C)C[C@@H](C)N(C)C(=O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153322066 293370517 /nfs/dbraw/zinc/37/05/17/293370517.db2.gz UAFPBQQHFWKNPQ-CQSZACIVSA-N 1 2 333.432 2.846 10 5 EFBELO CC(C)C[C@@H](C)N(C)C(=O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153322066 293370519 /nfs/dbraw/zinc/37/05/19/293370519.db2.gz UAFPBQQHFWKNPQ-CQSZACIVSA-N 1 2 333.432 2.846 10 5 EFBELO CC(C)C[C@H](C)N(C)C(=O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153322157 293370866 /nfs/dbraw/zinc/37/08/66/293370866.db2.gz UAFPBQQHFWKNPQ-AWEZNQCLSA-N 1 2 333.432 2.846 10 5 EFBELO CC(C)C[C@H](C)N(C)C(=O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153322157 293370867 /nfs/dbraw/zinc/37/08/67/293370867.db2.gz UAFPBQQHFWKNPQ-AWEZNQCLSA-N 1 2 333.432 2.846 10 5 EFBELO Cc1ccc(NC(=O)C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cc1 ZINC000153380331 293372613 /nfs/dbraw/zinc/37/26/13/293372613.db2.gz DVWQROKQIOECLQ-UHFFFAOYSA-N 1 2 325.368 2.900 10 5 EFBELO Cc1ccc(NC(=O)C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cc1 ZINC000153380331 293372615 /nfs/dbraw/zinc/37/26/15/293372615.db2.gz DVWQROKQIOECLQ-UHFFFAOYSA-N 1 2 325.368 2.900 10 5 EFBELO CC[C@@H]1CCCCN1C(=O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153397242 293373732 /nfs/dbraw/zinc/37/37/32/293373732.db2.gz DICXYVJGHKKYCY-OAHLLOKOSA-N 1 2 331.416 2.744 10 5 EFBELO CC[C@@H]1CCCCN1C(=O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153397242 293373735 /nfs/dbraw/zinc/37/37/35/293373735.db2.gz DICXYVJGHKKYCY-OAHLLOKOSA-N 1 2 331.416 2.744 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CS(=O)(=O)c2ccccc21 ZINC000290305757 294052853 /nfs/dbraw/zinc/05/28/53/294052853.db2.gz BSXHSWOUHMZOBQ-HNNXBMFYSA-N 1 2 332.381 2.521 10 5 EFBELO CC[C@@H](NC(=O)NCc1c[nH+]ccc1OC)c1cccc([N+](=O)[O-])c1 ZINC000294158957 295120680 /nfs/dbraw/zinc/12/06/80/295120680.db2.gz IATNZYJPZRYELH-OAHLLOKOSA-N 1 2 344.371 2.949 10 5 EFBELO COc1ccc(CN2CC(C)(C)[C@H]2c2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000294668603 295204135 /nfs/dbraw/zinc/20/41/35/295204135.db2.gz APTITOKTTYBPCQ-OAHLLOKOSA-N 1 2 330.388 2.920 10 5 EFBELO Cc1nc(N2CCC[C@H]2c2[nH+]c3c(n2C)CCCC3)ncc1[N+](=O)[O-] ZINC000294827195 295233531 /nfs/dbraw/zinc/23/35/31/295233531.db2.gz AITHVPBGRJFLKN-AWEZNQCLSA-N 1 2 342.403 2.647 10 5 EFBELO C[C@H]1[C@H](O)CCC[N@@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000295003907 295256500 /nfs/dbraw/zinc/25/65/00/295256500.db2.gz LPIKVZGCOZOIDD-TVQRCGJNSA-N 1 2 329.194 2.703 10 5 EFBELO C[C@H]1[C@H](O)CCC[N@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000295003907 295256502 /nfs/dbraw/zinc/25/65/02/295256502.db2.gz LPIKVZGCOZOIDD-TVQRCGJNSA-N 1 2 329.194 2.703 10 5 EFBELO Cn1cc[nH+]c1[C@@H]1N(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1(C)C ZINC000296374031 295466142 /nfs/dbraw/zinc/46/61/42/295466142.db2.gz SWWLRAWSYLWZHO-ZDUSSCGKSA-N 1 2 326.360 2.792 10 5 EFBELO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000349900080 297228083 /nfs/dbraw/zinc/22/80/83/297228083.db2.gz ZWEKEHUZLIBMCO-ZIAGYGMSSA-N 1 2 349.431 2.788 10 5 EFBELO Cc1cc(N2CCc3n[nH]cc3C2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000301251757 311127146 /nfs/dbraw/zinc/12/71/46/311127146.db2.gz RXAXANAGEMWPSY-UHFFFAOYSA-N 1 2 336.355 2.646 10 5 EFBELO O=[N+]([O-])c1cnc(N2CC[NH+](Cc3ccccc3)CC2)c(Cl)c1 ZINC000301269537 311128234 /nfs/dbraw/zinc/12/82/34/311128234.db2.gz JIZMIISVAPTJTR-UHFFFAOYSA-N 1 2 332.791 2.965 10 5 EFBELO O=[N+]([O-])c1ccccc1N1C[C@H]2OCC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC000301634277 311149092 /nfs/dbraw/zinc/14/90/92/311149092.db2.gz KHOPNZAVDNJWTM-RBUKOAKNSA-N 1 2 339.395 2.684 10 5 EFBELO O=[N+]([O-])c1ccccc1N1C[C@H]2OCC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC000301634277 311149094 /nfs/dbraw/zinc/14/90/94/311149094.db2.gz KHOPNZAVDNJWTM-RBUKOAKNSA-N 1 2 339.395 2.684 10 5 EFBELO CC(C)Cn1cc[nH+]c1CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000301756689 311156755 /nfs/dbraw/zinc/15/67/55/311156755.db2.gz LBNYUYOICARQLH-UHFFFAOYSA-N 1 2 342.359 2.708 10 5 EFBELO COc1cc(N[C@@H]2CCN(c3cccc[nH+]3)C2)c([N+](=O)[O-])cc1F ZINC000301787589 311158257 /nfs/dbraw/zinc/15/82/57/311158257.db2.gz XERMJTCDXNSRJC-LLVKDONJSA-N 1 2 332.335 2.828 10 5 EFBELO COC(=O)c1ccc([N+](=O)[O-])c(NCc2cn3c(cccc3C)[nH+]2)c1 ZINC000302115772 311178428 /nfs/dbraw/zinc/17/84/28/311178428.db2.gz VZZHSOKOXVQOCE-UHFFFAOYSA-N 1 2 340.339 2.950 10 5 EFBELO C[C@@H]1CN(c2ccc(CNc3cc(F)ccc3[N+](=O)[O-])c[nH+]2)CCO1 ZINC000302825341 311203321 /nfs/dbraw/zinc/20/33/21/311203321.db2.gz YSXCAWZJJUHMCV-GFCCVEGCSA-N 1 2 346.362 2.966 10 5 EFBELO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000438948284 312626717 /nfs/dbraw/zinc/62/67/17/312626717.db2.gz BEDOBJGVCJOCCZ-NSHDSACASA-N 1 2 348.790 2.920 10 5 EFBELO C[C@](CO)([NH2+]Cc1c(Cl)cccc1[N+](=O)[O-])c1cccc(O)c1 ZINC000451035490 312803337 /nfs/dbraw/zinc/80/33/37/312803337.db2.gz CBGUQSJFWIOJJZ-MRXNPFEDSA-N 1 2 336.775 2.951 10 5 EFBELO C[NH+](C)CCN(Cc1ccsc1)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000458215582 313084773 /nfs/dbraw/zinc/08/47/73/313084773.db2.gz FAJJCNWRMANNTA-UHFFFAOYSA-N 1 2 349.412 2.566 10 5 EFBELO CC(C)[C@@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000505337511 315454402 /nfs/dbraw/zinc/45/44/02/315454402.db2.gz JGPXVWHGENDAKG-QGZVFWFLSA-N 1 2 349.431 2.787 10 5 EFBELO CC(C)Cn1cc[nH+]c1CNc1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC000516877164 315713696 /nfs/dbraw/zinc/71/36/96/315713696.db2.gz BBLAQEVDUBOTGJ-UHFFFAOYSA-N 1 2 333.392 2.664 10 5 EFBELO CNc1ccc(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000532345526 317389064 /nfs/dbraw/zinc/38/90/64/317389064.db2.gz AABSBYSQUVMENG-MLGOLLRUSA-N 1 2 343.387 2.556 10 5 EFBELO CCc1cc(NCC[C@H]2CCOC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000542268756 317807730 /nfs/dbraw/zinc/80/77/30/317807730.db2.gz AOQQBASKNSZCLJ-ZDUSSCGKSA-N 1 2 342.399 2.875 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1Cc2cccnc2C1 ZINC000551040525 318200958 /nfs/dbraw/zinc/20/09/58/318200958.db2.gz LCFLTZOEOMGKOX-UHFFFAOYSA-N 1 2 326.356 2.643 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1Cc2cccnc2C1 ZINC000551040525 318200961 /nfs/dbraw/zinc/20/09/61/318200961.db2.gz LCFLTZOEOMGKOX-UHFFFAOYSA-N 1 2 326.356 2.643 10 5 EFBELO CCOc1cc(C[N@@H+]2CCC[C@H]2C(=O)OC(C)C)ccc1[N+](=O)[O-] ZINC000555581514 318362154 /nfs/dbraw/zinc/36/21/54/318362154.db2.gz GYCHSZOBXCUPHZ-HNNXBMFYSA-N 1 2 336.388 2.910 10 5 EFBELO CCOc1cc(C[N@H+]2CCC[C@H]2C(=O)OC(C)C)ccc1[N+](=O)[O-] ZINC000555581514 318362156 /nfs/dbraw/zinc/36/21/56/318362156.db2.gz GYCHSZOBXCUPHZ-HNNXBMFYSA-N 1 2 336.388 2.910 10 5 EFBELO Cc1cccc(CN[C@@H](c2[nH+]ccn2C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000562854356 318708682 /nfs/dbraw/zinc/70/86/82/318708682.db2.gz LMPYUTPCWRCFKX-QGZVFWFLSA-N 1 2 337.383 2.911 10 5 EFBELO O=[N+]([O-])c1cc2c(nc1N1CCC(n3cc[nH+]c3)CC1)CCCC2 ZINC000564724961 318885678 /nfs/dbraw/zinc/88/56/78/318885678.db2.gz JUVVWBOLDRRVDV-UHFFFAOYSA-N 1 2 327.388 2.907 10 5 EFBELO Cn1ccnc1[C@@H]([NH2+]CCOCC1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000567298691 319158283 /nfs/dbraw/zinc/15/82/83/319158283.db2.gz MIHJXQRREVXRDX-KRWDZBQOSA-N 1 2 344.415 2.824 10 5 EFBELO C[C@H](C(=O)N(C)c1ccc[nH+]c1N(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000184646773 323370975 /nfs/dbraw/zinc/37/09/75/323370975.db2.gz BAEORWKQVYXVDU-NSHDSACASA-N 1 2 346.362 2.961 10 5 EFBELO CC[C@H](C)[C@H](Nc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1)C(N)=O ZINC000301836188 323714718 /nfs/dbraw/zinc/71/47/18/323714718.db2.gz VCCAHHNONHDNRZ-BONVTDFDSA-N 1 2 343.387 2.672 10 5 EFBELO C[C@H](C(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000581406584 324368580 /nfs/dbraw/zinc/36/85/80/324368580.db2.gz GVIQUBAGQXQBCV-LBPRGKRZSA-N 1 2 328.372 2.828 10 5 EFBELO C[C@@H](O)CNc1[nH+]c2ccccc2n1Cc1c(F)cccc1[N+](=O)[O-] ZINC000505564363 467939822 /nfs/dbraw/zinc/93/98/22/467939822.db2.gz NAYZOUBUWKDXOW-LLVKDONJSA-N 1 2 344.346 2.925 10 5 EFBELO COCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000125108037 473357365 /nfs/dbraw/zinc/35/73/65/473357365.db2.gz VCBBMXBLONYBNF-FZMZJTMJSA-N 1 2 331.376 2.518 10 5 EFBELO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)Cc1ccc(C)o1 ZINC000007975872 471651450 /nfs/dbraw/zinc/65/14/50/471651450.db2.gz OZDXKNWYPJMQTA-UHFFFAOYSA-N 1 2 333.344 2.575 10 5 EFBELO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)Cc1ccc(C)o1 ZINC000007975872 471651460 /nfs/dbraw/zinc/65/14/60/471651460.db2.gz OZDXKNWYPJMQTA-UHFFFAOYSA-N 1 2 333.344 2.575 10 5 EFBELO COc1ccc(NC(=O)C[N@H+](C)Cc2ccc(C)o2)c([N+](=O)[O-])c1 ZINC000007975843 471652466 /nfs/dbraw/zinc/65/24/66/471652466.db2.gz QQEORUKWFIYRSH-UHFFFAOYSA-N 1 2 333.344 2.575 10 5 EFBELO COc1ccc(NC(=O)C[N@@H+](C)Cc2ccc(C)o2)c([N+](=O)[O-])c1 ZINC000007975843 471652471 /nfs/dbraw/zinc/65/24/71/471652471.db2.gz QQEORUKWFIYRSH-UHFFFAOYSA-N 1 2 333.344 2.575 10 5 EFBELO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)Cc1ccc(F)cc1 ZINC000008120509 471664020 /nfs/dbraw/zinc/66/40/20/471664020.db2.gz UQVOMWGMHUWFRG-UHFFFAOYSA-N 1 2 347.346 2.813 10 5 EFBELO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)Cc1ccc(F)cc1 ZINC000008120509 471664025 /nfs/dbraw/zinc/66/40/25/471664025.db2.gz UQVOMWGMHUWFRG-UHFFFAOYSA-N 1 2 347.346 2.813 10 5 EFBELO CC[N@H+](CCCNC(=O)c1cc([N+](=O)[O-])cnc1C)c1ccccc1 ZINC000053639543 472026194 /nfs/dbraw/zinc/02/61/94/472026194.db2.gz IXISJNQPVHTWEQ-UHFFFAOYSA-N 1 2 342.399 2.945 10 5 EFBELO CC[N@@H+](CCCNC(=O)c1cc([N+](=O)[O-])cnc1C)c1ccccc1 ZINC000053639543 472026198 /nfs/dbraw/zinc/02/61/98/472026198.db2.gz IXISJNQPVHTWEQ-UHFFFAOYSA-N 1 2 342.399 2.945 10 5 EFBELO O=C(NCc1cn2cc(Cl)ccc2[nH+]1)c1ccc([N+](=O)[O-])cc1F ZINC000054293314 472074211 /nfs/dbraw/zinc/07/42/11/472074211.db2.gz QZWKAYUNMNFREO-UHFFFAOYSA-N 1 2 348.721 2.965 10 5 EFBELO C[C@H](O)CNc1[nH+]c2ccccc2n1Cc1cccc([N+](=O)[O-])c1 ZINC000028914660 472241797 /nfs/dbraw/zinc/24/17/97/472241797.db2.gz QVAFHZKYSIQOMV-LBPRGKRZSA-N 1 2 326.356 2.786 10 5 EFBELO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CCN(c2ccccc2)C1=O ZINC000068806255 472246366 /nfs/dbraw/zinc/24/63/66/472246366.db2.gz ZDPVAURMZFEUDK-KRWDZBQOSA-N 1 2 325.368 2.832 10 5 EFBELO C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CCN(c2ccccc2)C1=O ZINC000068806255 472246372 /nfs/dbraw/zinc/24/63/72/472246372.db2.gz ZDPVAURMZFEUDK-KRWDZBQOSA-N 1 2 325.368 2.832 10 5 EFBELO C[C@@H](O)CNc1[nH+]c2ccccc2n1Cc1ccccc1[N+](=O)[O-] ZINC000068938848 472268269 /nfs/dbraw/zinc/26/82/69/472268269.db2.gz DXNXRTIBMMEYPX-GFCCVEGCSA-N 1 2 326.356 2.786 10 5 EFBELO C[C@H](c1ccccc1Cl)[NH+]1CCN(c2c([N+](=O)[O-])ncn2C)CC1 ZINC000029530209 472280732 /nfs/dbraw/zinc/28/07/32/472280732.db2.gz QNPCLAJXWSEAHW-GFCCVEGCSA-N 1 2 349.822 2.865 10 5 EFBELO C[C@H](NC(=O)NCc1ccc[nH+]c1N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000056399558 472317095 /nfs/dbraw/zinc/31/70/95/472317095.db2.gz CCDQNBLKLXKWAC-LBPRGKRZSA-N 1 2 343.387 2.616 10 5 EFBELO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000030221208 472320034 /nfs/dbraw/zinc/32/00/34/472320034.db2.gz DGJSWIFRUGQLLO-UHFFFAOYSA-N 1 2 336.351 2.770 10 5 EFBELO Cc1sc(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)cc1[N+](=O)[O-] ZINC000030295894 472324625 /nfs/dbraw/zinc/32/46/25/472324625.db2.gz MKQXLRGTTNKLOA-UHFFFAOYSA-N 1 2 346.412 2.890 10 5 EFBELO O=C(/C=C/c1ccccc1[N+](=O)[O-])NCc1cccnc1-n1cc[nH+]c1 ZINC000044895330 472349148 /nfs/dbraw/zinc/34/91/48/472349148.db2.gz SKMPXYFEEAALNV-BQYQJAHWSA-N 1 2 349.350 2.505 10 5 EFBELO O=C(C[N@@H+](Cc1cccc(O)c1)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000069594024 472376518 /nfs/dbraw/zinc/37/65/18/472376518.db2.gz SWXYQMBANBAZPV-UHFFFAOYSA-N 1 2 341.367 2.904 10 5 EFBELO O=C(C[N@H+](Cc1cccc(O)c1)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000069594024 472376525 /nfs/dbraw/zinc/37/65/25/472376525.db2.gz SWXYQMBANBAZPV-UHFFFAOYSA-N 1 2 341.367 2.904 10 5 EFBELO O=[N+]([O-])c1cnccc1N1CCCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000069775158 472427236 /nfs/dbraw/zinc/42/72/36/472427236.db2.gz DKCBLIADUVYALC-UHFFFAOYSA-N 1 2 338.371 2.583 10 5 EFBELO COc1cccc([C@@H](Nc2ccc([N+](=O)[O-])nc2)c2[nH+]ccn2C)c1 ZINC000073050250 472765152 /nfs/dbraw/zinc/76/51/52/472765152.db2.gz JPEVPNWNCKTYLF-MRXNPFEDSA-N 1 2 339.355 2.933 10 5 EFBELO CC[C@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)c1cccc([N+](=O)[O-])c1 ZINC000133165665 472778688 /nfs/dbraw/zinc/77/86/88/472778688.db2.gz UDDRMSICQOEGGV-CJNGLKHVSA-N 1 2 328.372 2.621 10 5 EFBELO O=[N+]([O-])c1ccccc1/C=C/CN1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000093011112 473027002 /nfs/dbraw/zinc/02/70/02/473027002.db2.gz MUGATZJQVJDWPK-SUQGKYDKSA-N 1 2 345.443 2.795 10 5 EFBELO C[C@@H]1CN(c2ccc(CNc3ccc([N+](=O)[O-])cn3)c[nH+]2)C[C@@H](C)O1 ZINC000052218888 473094583 /nfs/dbraw/zinc/09/45/83/473094583.db2.gz JBKDTNOHDTVETD-CHWSQXEVSA-N 1 2 343.387 2.611 10 5 EFBELO COc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(C)o2)c([N+](=O)[O-])c1 ZINC000052712155 473141035 /nfs/dbraw/zinc/14/10/35/473141035.db2.gz VCGMWMDYMQTEAA-LBPRGKRZSA-N 1 2 347.371 2.964 10 5 EFBELO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(C)o2)c([N+](=O)[O-])c1 ZINC000052712155 473141042 /nfs/dbraw/zinc/14/10/42/473141042.db2.gz VCGMWMDYMQTEAA-LBPRGKRZSA-N 1 2 347.371 2.964 10 5 EFBELO Cn1cc[nH+]c1C[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)c1ccccc1 ZINC000081317727 473182791 /nfs/dbraw/zinc/18/27/91/473182791.db2.gz VPIWVNWOVWLQPT-CYBMUJFWSA-N 1 2 340.339 2.635 10 5 EFBELO Cc1ccc(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000126058683 473482710 /nfs/dbraw/zinc/48/27/10/473482710.db2.gz BVHRCMIBPLKOSS-CZUORRHYSA-N 1 2 328.372 2.823 10 5 EFBELO Cc1ccc(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000126058874 473483569 /nfs/dbraw/zinc/48/35/69/473483569.db2.gz BVHRCMIBPLKOSS-BBRMVZONSA-N 1 2 328.372 2.823 10 5 EFBELO O=C(C[N@@H+]1CCC[C@@H]1c1ccco1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000116290548 473646520 /nfs/dbraw/zinc/64/65/20/473646520.db2.gz JMWNOHVSWRRCOT-OAHLLOKOSA-N 1 2 341.367 2.914 10 5 EFBELO O=C(C[N@H+]1CCC[C@@H]1c1ccco1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000116290548 473646525 /nfs/dbraw/zinc/64/65/25/473646525.db2.gz JMWNOHVSWRRCOT-OAHLLOKOSA-N 1 2 341.367 2.914 10 5 EFBELO NC(=O)c1cc([N+](=O)[O-])cnc1Nc1ccc(NC2CCCC2)[nH+]c1 ZINC000263718149 473818745 /nfs/dbraw/zinc/81/87/45/473818745.db2.gz BCZJCNTVNKADKO-UHFFFAOYSA-N 1 2 342.359 2.582 10 5 EFBELO CCOc1ccc([C@@H](C)[NH2+]Cc2cc(C(N)=O)co2)cc1[N+](=O)[O-] ZINC000187723563 473908917 /nfs/dbraw/zinc/90/89/17/473908917.db2.gz FFBMJCHGOSEETK-SNVBAGLBSA-N 1 2 333.344 2.536 10 5 EFBELO C[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173932731 473960541 /nfs/dbraw/zinc/96/05/41/473960541.db2.gz INQBWRCCDUGEAA-NSHDSACASA-N 1 2 326.312 2.865 10 5 EFBELO CC[C@H]([NH2+]Cc1csc(CC(=O)NC)n1)c1cccc([N+](=O)[O-])c1 ZINC000181533098 474045071 /nfs/dbraw/zinc/04/50/71/474045071.db2.gz IDZQEWZQMOQFCX-AWEZNQCLSA-N 1 2 348.428 2.581 10 5 EFBELO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(C(=O)N2CCCCC2)CC1 ZINC000198829801 474120106 /nfs/dbraw/zinc/12/01/06/474120106.db2.gz XZWAIZOAQBKTNN-OAHLLOKOSA-N 1 2 346.431 2.879 10 5 EFBELO Cc1cc(N2CCC([C@H](C)O)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000264833185 474143327 /nfs/dbraw/zinc/14/33/27/474143327.db2.gz ZVTZKZYHMULXIN-ZDUSSCGKSA-N 1 2 342.399 2.957 10 5 EFBELO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCCC[C@@H]2c2nnc[nH]2)cc1 ZINC000182676496 474231872 /nfs/dbraw/zinc/23/18/72/474231872.db2.gz NCHGWSBRYFTEKQ-OAHLLOKOSA-N 1 2 331.376 2.709 10 5 EFBELO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCCC[C@@H]2c2nnc[nH]2)cc1 ZINC000182676496 474231880 /nfs/dbraw/zinc/23/18/80/474231880.db2.gz NCHGWSBRYFTEKQ-OAHLLOKOSA-N 1 2 331.376 2.709 10 5 EFBELO Cn1c2c([nH+]c1[C@H]1CCCN1c1ccc([N+](=O)[O-])cn1)CCCC2 ZINC000275562123 474236616 /nfs/dbraw/zinc/23/66/16/474236616.db2.gz IFJSAOYXXNKVGC-OAHLLOKOSA-N 1 2 327.388 2.944 10 5 EFBELO CO[C@H]1C[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC[C@H]1C ZINC000189268441 474343715 /nfs/dbraw/zinc/34/37/15/474343715.db2.gz QXQIXAWRDKUURS-YGRLFVJLSA-N 1 2 341.795 2.544 10 5 EFBELO CO[C@H]1C[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC[C@H]1C ZINC000189268441 474343720 /nfs/dbraw/zinc/34/37/20/474343720.db2.gz QXQIXAWRDKUURS-YGRLFVJLSA-N 1 2 341.795 2.544 10 5 EFBELO CO[C@H]1C[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC[C@H]1C ZINC000189344014 474366431 /nfs/dbraw/zinc/36/64/31/474366431.db2.gz YQWBTCWSEDSDFP-YGRLFVJLSA-N 1 2 341.795 2.544 10 5 EFBELO CO[C@H]1C[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC[C@H]1C ZINC000189344014 474366438 /nfs/dbraw/zinc/36/64/38/474366438.db2.gz YQWBTCWSEDSDFP-YGRLFVJLSA-N 1 2 341.795 2.544 10 5 EFBELO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000176185525 474404251 /nfs/dbraw/zinc/40/42/51/474404251.db2.gz LWPCXJAFZFKQPH-LBPRGKRZSA-N 1 2 334.763 2.750 10 5 EFBELO CO[C@H]1C[C@@H](c2nc(C)no2)[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000248987925 474500102 /nfs/dbraw/zinc/50/01/02/474500102.db2.gz VWKJKYKHCHWZMM-GJZGRUSLSA-N 1 2 332.360 2.557 10 5 EFBELO CO[C@H]1C[C@@H](c2nc(C)no2)[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000248987925 474500108 /nfs/dbraw/zinc/50/01/08/474500108.db2.gz VWKJKYKHCHWZMM-GJZGRUSLSA-N 1 2 332.360 2.557 10 5 EFBELO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609131033 480115221 /nfs/dbraw/zinc/11/52/21/480115221.db2.gz GVOWWXSUAZWMCM-ZDUSSCGKSA-N 1 2 339.355 2.750 10 5 EFBELO Cc1nc(F)ccc1C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000278357261 474620268 /nfs/dbraw/zinc/62/02/68/474620268.db2.gz AKVGNFHVGFLWKS-UHFFFAOYSA-N 1 2 330.363 2.760 10 5 EFBELO Cc1cc(N(C)C[C@H]2CCCO2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000267272510 474634408 /nfs/dbraw/zinc/63/44/08/474634408.db2.gz ZYYDPUFXHUSAFQ-OAHLLOKOSA-N 1 2 328.372 2.975 10 5 EFBELO CO[C@@H]1C[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC[C@H]1C ZINC000251900516 474649987 /nfs/dbraw/zinc/64/99/87/474649987.db2.gz QXQIXAWRDKUURS-QMTHXVAHSA-N 1 2 341.795 2.544 10 5 EFBELO CO[C@@H]1C[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC[C@H]1C ZINC000251900516 474649992 /nfs/dbraw/zinc/64/99/92/474649992.db2.gz QXQIXAWRDKUURS-QMTHXVAHSA-N 1 2 341.795 2.544 10 5 EFBELO CC[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C[C@@H]1COc2ccccc2O1 ZINC000338885559 474702404 /nfs/dbraw/zinc/70/24/04/474702404.db2.gz ZNKBTWCOIJSDBG-OAHLLOKOSA-N 1 2 344.367 2.962 10 5 EFBELO CC[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C[C@@H]1COc2ccccc2O1 ZINC000338885559 474702411 /nfs/dbraw/zinc/70/24/11/474702411.db2.gz ZNKBTWCOIJSDBG-OAHLLOKOSA-N 1 2 344.367 2.962 10 5 EFBELO CC[C@](C)(O)C[N@@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000284713848 474736466 /nfs/dbraw/zinc/73/64/66/474736466.db2.gz JFFCCZTWOQFRAU-AWEZNQCLSA-N 1 2 343.221 2.876 10 5 EFBELO CC[C@](C)(O)C[N@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000284713848 474736470 /nfs/dbraw/zinc/73/64/70/474736470.db2.gz JFFCCZTWOQFRAU-AWEZNQCLSA-N 1 2 343.221 2.876 10 5 EFBELO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000253427406 474752503 /nfs/dbraw/zinc/75/25/03/474752503.db2.gz MHIPDDPLPSVVLR-UHFFFAOYSA-N 1 2 345.359 2.738 10 5 EFBELO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000253427406 474752510 /nfs/dbraw/zinc/75/25/10/474752510.db2.gz MHIPDDPLPSVVLR-UHFFFAOYSA-N 1 2 345.359 2.738 10 5 EFBELO CC(C)(C)OC(=O)C1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000338958293 474779621 /nfs/dbraw/zinc/77/96/21/474779621.db2.gz PCDWXLZKACCEOT-UHFFFAOYSA-N 1 2 336.388 2.854 10 5 EFBELO O=[N+]([O-])c1ccccc1/C=C\CN1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000255121007 474807129 /nfs/dbraw/zinc/80/71/29/474807129.db2.gz MUGATZJQVJDWPK-YEODSOHDSA-N 1 2 345.443 2.795 10 5 EFBELO O=[N+]([O-])c1ccc(O)cc1C[N@H+](C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC000339054157 474885585 /nfs/dbraw/zinc/88/55/85/474885585.db2.gz NZIZNZXZEGXUHW-UKRRQHHQSA-N 1 2 338.429 2.787 10 5 EFBELO O=[N+]([O-])c1ccc(O)cc1C[N@@H+](C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC000339054157 474885589 /nfs/dbraw/zinc/88/55/89/474885589.db2.gz NZIZNZXZEGXUHW-UKRRQHHQSA-N 1 2 338.429 2.787 10 5 EFBELO COC(=O)c1ccc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)nc1 ZINC000285366518 474991597 /nfs/dbraw/zinc/99/15/97/474991597.db2.gz BUYFWTGUHOZCRW-UHFFFAOYSA-N 1 2 341.367 2.941 10 5 EFBELO COC(=O)c1ccc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)nc1 ZINC000285366518 474991605 /nfs/dbraw/zinc/99/16/05/474991605.db2.gz BUYFWTGUHOZCRW-UHFFFAOYSA-N 1 2 341.367 2.941 10 5 EFBELO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000339188558 475020858 /nfs/dbraw/zinc/02/08/58/475020858.db2.gz HKSBSSVNILNNHW-NSHDSACASA-N 1 2 330.344 2.550 10 5 EFBELO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000339188558 475020862 /nfs/dbraw/zinc/02/08/62/475020862.db2.gz HKSBSSVNILNNHW-NSHDSACASA-N 1 2 330.344 2.550 10 5 EFBELO C[C@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC(=O)N1C ZINC000337546086 475115285 /nfs/dbraw/zinc/11/52/85/475115285.db2.gz OITBWEJBINKUAZ-LBPRGKRZSA-N 1 2 329.356 2.517 10 5 EFBELO C[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC(=O)N1C ZINC000337546086 475115296 /nfs/dbraw/zinc/11/52/96/475115296.db2.gz OITBWEJBINKUAZ-LBPRGKRZSA-N 1 2 329.356 2.517 10 5 EFBELO C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC(=O)N1C ZINC000337546083 475115572 /nfs/dbraw/zinc/11/55/72/475115572.db2.gz OITBWEJBINKUAZ-GFCCVEGCSA-N 1 2 329.356 2.517 10 5 EFBELO C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC(=O)N1C ZINC000337546083 475115577 /nfs/dbraw/zinc/11/55/77/475115577.db2.gz OITBWEJBINKUAZ-GFCCVEGCSA-N 1 2 329.356 2.517 10 5 EFBELO O=[N+]([O-])c1ccc(-c2noc(-c3cc(-n4cc[nH+]c4)ccn3)n2)cc1 ZINC000345522130 475238583 /nfs/dbraw/zinc/23/85/83/475238583.db2.gz ADSJKSYLBFLTSZ-UHFFFAOYSA-N 1 2 334.295 2.893 10 5 EFBELO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+](CC(F)F)CC2CCC2)c1 ZINC000341748775 475270790 /nfs/dbraw/zinc/27/07/90/475270790.db2.gz BQWFHFPDKAMUGW-AWEZNQCLSA-N 1 2 344.358 2.702 10 5 EFBELO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+](CC(F)F)CC2CCC2)c1 ZINC000341748775 475270794 /nfs/dbraw/zinc/27/07/94/475270794.db2.gz BQWFHFPDKAMUGW-AWEZNQCLSA-N 1 2 344.358 2.702 10 5 EFBELO C/C(=C\c1nc(Cc2c[nH+]cn2C)no1)c1ccc([N+](=O)[O-])cc1 ZINC000357939243 475277094 /nfs/dbraw/zinc/27/70/94/475277094.db2.gz TVENWXOVBUSYNV-YRNVUSSQSA-N 1 2 325.328 2.863 10 5 EFBELO C[C@@H](c1nc(Cc2c[nH+]cn2C)no1)c1ccc([N+](=O)[O-])cc1F ZINC000357942800 475280866 /nfs/dbraw/zinc/28/08/66/475280866.db2.gz FWSNNTGJKQFONV-SECBINFHSA-N 1 2 331.307 2.593 10 5 EFBELO COc1cc(C[N@@H+]2CCO[C@H](c3cccc(O)c3)C2)ccc1[N+](=O)[O-] ZINC000352526901 475380523 /nfs/dbraw/zinc/38/05/23/475380523.db2.gz TWBWDMYJAIXJCE-SFHVURJKSA-N 1 2 344.367 2.883 10 5 EFBELO COc1cc(C[N@H+]2CCO[C@H](c3cccc(O)c3)C2)ccc1[N+](=O)[O-] ZINC000352526901 475380529 /nfs/dbraw/zinc/38/05/29/475380529.db2.gz TWBWDMYJAIXJCE-SFHVURJKSA-N 1 2 344.367 2.883 10 5 EFBELO Cc1ccncc1C[N@@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000361412077 475427588 /nfs/dbraw/zinc/42/75/88/475427588.db2.gz FKPNOTUFSKGAFF-ZDUSSCGKSA-N 1 2 328.372 2.757 10 5 EFBELO Cc1ccncc1C[N@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000361412077 475427597 /nfs/dbraw/zinc/42/75/97/475427597.db2.gz FKPNOTUFSKGAFF-ZDUSSCGKSA-N 1 2 328.372 2.757 10 5 EFBELO CC[C@@H](NC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)c1cccc([N+](=O)[O-])c1 ZINC000358276660 475553802 /nfs/dbraw/zinc/55/38/02/475553802.db2.gz JOPRSZFSTLXCGJ-GXTWGEPZSA-N 1 2 343.387 2.626 10 5 EFBELO CC[C@@H](NC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)c1cccc([N+](=O)[O-])c1 ZINC000358276660 475553810 /nfs/dbraw/zinc/55/38/10/475553810.db2.gz JOPRSZFSTLXCGJ-GXTWGEPZSA-N 1 2 343.387 2.626 10 5 EFBELO COc1cc(C[N@@H+]2CCOc3cc(O)ccc3C2)ccc1[N+](=O)[O-] ZINC000353146332 475718969 /nfs/dbraw/zinc/71/89/69/475718969.db2.gz XELCMSZCIMLCNP-UHFFFAOYSA-N 1 2 330.340 2.704 10 5 EFBELO COc1cc(C[N@H+]2CCOc3cc(O)ccc3C2)ccc1[N+](=O)[O-] ZINC000353146332 475718977 /nfs/dbraw/zinc/71/89/77/475718977.db2.gz XELCMSZCIMLCNP-UHFFFAOYSA-N 1 2 330.340 2.704 10 5 EFBELO Cc1ccc(Cn2cc([N+](=O)[O-])cc(Br)c2=O)c(C)[nH+]1 ZINC000358693083 475864485 /nfs/dbraw/zinc/86/44/85/475864485.db2.gz QNXURVSUGMTJLR-UHFFFAOYSA-N 1 2 338.161 2.579 10 5 EFBELO COc1cccc(NCc2[nH+]ccn2CC(F)(F)F)c1[N+](=O)[O-] ZINC000355423530 475922275 /nfs/dbraw/zinc/92/22/75/475922275.db2.gz SYSFKLCFZVTQDA-UHFFFAOYSA-N 1 2 330.266 2.974 10 5 EFBELO C[N@H+](Cc1nc(-c2cccnc2)no1)Cc1cccc([N+](=O)[O-])c1 ZINC000353584403 476101473 /nfs/dbraw/zinc/10/14/73/476101473.db2.gz GNVHRCNKHVGZPD-UHFFFAOYSA-N 1 2 325.328 2.672 10 5 EFBELO C[N@@H+](Cc1nc(-c2cccnc2)no1)Cc1cccc([N+](=O)[O-])c1 ZINC000353584403 476101483 /nfs/dbraw/zinc/10/14/83/476101483.db2.gz GNVHRCNKHVGZPD-UHFFFAOYSA-N 1 2 325.328 2.672 10 5 EFBELO O=[N+]([O-])c1ccc(-c2nc([C@@H]3C[N@@H+]4CCCC[C@H]4CO3)no2)cc1 ZINC000350381671 476162119 /nfs/dbraw/zinc/16/21/19/476162119.db2.gz DZLCAPNYODFAMA-KBPBESRZSA-N 1 2 330.344 2.571 10 5 EFBELO O=[N+]([O-])c1ccc(-c2nc([C@@H]3C[N@H+]4CCCC[C@H]4CO3)no2)cc1 ZINC000350381671 476162131 /nfs/dbraw/zinc/16/21/31/476162131.db2.gz DZLCAPNYODFAMA-KBPBESRZSA-N 1 2 330.344 2.571 10 5 EFBELO Cc1[nH+]c2ccccc2n1CCc1noc(-c2ccc([N+](=O)[O-])[nH]2)n1 ZINC000350761972 476298262 /nfs/dbraw/zinc/29/82/62/476298262.db2.gz SPDGAPFFLZEXHK-UHFFFAOYSA-N 1 2 338.327 2.874 10 5 EFBELO Cc1cn2c([nH+]1)CN(C(=O)c1cc3cc([N+](=O)[O-])ccc3s1)CC2 ZINC000363662591 476482967 /nfs/dbraw/zinc/48/29/67/476482967.db2.gz BRBRAZVIHFFCNZ-UHFFFAOYSA-N 1 2 342.380 2.970 10 5 EFBELO CCOc1ccc(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1[N+](=O)[O-] ZINC000369803880 476532203 /nfs/dbraw/zinc/53/22/03/476532203.db2.gz DCJUBSOHDVFKLM-UHFFFAOYSA-N 1 2 344.371 2.736 10 5 EFBELO CCOc1ccc(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000369803880 476532209 /nfs/dbraw/zinc/53/22/09/476532209.db2.gz DCJUBSOHDVFKLM-UHFFFAOYSA-N 1 2 344.371 2.736 10 5 EFBELO C[C@@H](NC(=O)c1cc(-n2cc[nH+]c2)ccn1)c1cccc([N+](=O)[O-])c1 ZINC000352225421 476564665 /nfs/dbraw/zinc/56/46/65/476564665.db2.gz LRMGYWNJONSHAT-GFCCVEGCSA-N 1 2 337.339 2.667 10 5 EFBELO O=[N+]([O-])c1cnccc1N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000361063432 476576591 /nfs/dbraw/zinc/57/65/91/476576591.db2.gz QIQNBXZOBWPGLM-UHFFFAOYSA-N 1 2 332.791 2.965 10 5 EFBELO CC[C@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@]2(CCOC2)O1 ZINC000370112128 476670951 /nfs/dbraw/zinc/67/09/51/476670951.db2.gz MKFDUKMMIMKBLG-SUMWQHHRSA-N 1 2 347.371 2.506 10 5 EFBELO CC[C@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@]2(CCOC2)O1 ZINC000370112128 476670953 /nfs/dbraw/zinc/67/09/53/476670953.db2.gz MKFDUKMMIMKBLG-SUMWQHHRSA-N 1 2 347.371 2.506 10 5 EFBELO CC[C@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@]2(CCOC2)O1 ZINC000370112127 476670978 /nfs/dbraw/zinc/67/09/78/476670978.db2.gz MKFDUKMMIMKBLG-GUYCJALGSA-N 1 2 347.371 2.506 10 5 EFBELO CC[C@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@]2(CCOC2)O1 ZINC000370112127 476670981 /nfs/dbraw/zinc/67/09/81/476670981.db2.gz MKFDUKMMIMKBLG-GUYCJALGSA-N 1 2 347.371 2.506 10 5 EFBELO Cc1cc(C)c(CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)c[nH+]1 ZINC000456836359 476754767 /nfs/dbraw/zinc/75/47/67/476754767.db2.gz JXVWBZMRYMTPGZ-UHFFFAOYSA-N 1 2 335.310 2.744 10 5 EFBELO C[C@@H]1C[C@]2(CCO1)C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C[C@H](C)O2 ZINC000430269702 476798330 /nfs/dbraw/zinc/79/83/30/476798330.db2.gz PGJPZSNQUXMFAU-IIYDPXPESA-N 1 2 338.379 2.892 10 5 EFBELO C[C@@H]1C[C@]2(CCO1)C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C[C@H](C)O2 ZINC000430269702 476798333 /nfs/dbraw/zinc/79/83/33/476798333.db2.gz PGJPZSNQUXMFAU-IIYDPXPESA-N 1 2 338.379 2.892 10 5 EFBELO C[C@@H]1C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@H](C)[C@@H](C)O1 ZINC000446063477 476815220 /nfs/dbraw/zinc/81/52/20/476815220.db2.gz VEIJNWZOXUCLNK-IJLUTSLNSA-N 1 2 332.360 2.643 10 5 EFBELO C[C@@H]1C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@H](C)[C@@H](C)O1 ZINC000446063477 476815226 /nfs/dbraw/zinc/81/52/26/476815226.db2.gz VEIJNWZOXUCLNK-IJLUTSLNSA-N 1 2 332.360 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Cc1noc(C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)c1[N+](=O)[O-] ZINC000595308436 478725479 /nfs/dbraw/zinc/72/54/79/478725479.db2.gz NXYMQSXDXWXHRQ-LBPRGKRZSA-N 1 2 331.328 2.957 10 5 EFBELO Cc1noc(C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)c1[N+](=O)[O-] ZINC000595308436 478725487 /nfs/dbraw/zinc/72/54/87/478725487.db2.gz NXYMQSXDXWXHRQ-LBPRGKRZSA-N 1 2 331.328 2.957 10 5 EFBELO O=[N+]([O-])c1cnc(N2CC[NH+](Cc3ccc(O)cc3)CC2)c(Cl)c1 ZINC000601256424 478750211 /nfs/dbraw/zinc/75/02/11/478750211.db2.gz BMMRZDZOXRZSID-UHFFFAOYSA-N 1 2 348.790 2.671 10 5 EFBELO Cc1nnc(C[N@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)o1 ZINC000592130978 478788798 /nfs/dbraw/zinc/78/87/98/478788798.db2.gz NMZQIQBNYULUEB-SHTZXODSSA-N 1 2 346.387 2.592 10 5 EFBELO Cc1nnc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)o1 ZINC000592130978 478788804 /nfs/dbraw/zinc/78/88/04/478788804.db2.gz NMZQIQBNYULUEB-SHTZXODSSA-N 1 2 346.387 2.592 10 5 EFBELO Cn1ccnc1C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592131292 478790342 /nfs/dbraw/zinc/79/03/42/478790342.db2.gz WKURQQGCHHQACY-WKILWMFISA-N 1 2 344.415 2.634 10 5 EFBELO Cn1ccnc1C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592131292 478790345 /nfs/dbraw/zinc/79/03/45/478790345.db2.gz WKURQQGCHHQACY-WKILWMFISA-N 1 2 344.415 2.634 10 5 EFBELO Cn1cc[nH+]c1CN(Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592131292 478790350 /nfs/dbraw/zinc/79/03/50/478790350.db2.gz WKURQQGCHHQACY-WKILWMFISA-N 1 2 344.415 2.634 10 5 EFBELO CN(CCCn1cc[nH+]c1)C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000601339911 478795257 /nfs/dbraw/zinc/79/52/57/478795257.db2.gz JKZJEGWTWREIMK-UHFFFAOYSA-N 1 2 342.399 2.762 10 5 EFBELO Cc1cn2c([nH+]1)CN(C(=O)C1(c3ccc([N+](=O)[O-])cc3)CCC1)CC2 ZINC000601424364 478829062 /nfs/dbraw/zinc/82/90/62/478829062.db2.gz HPWJFKNACKJQHU-UHFFFAOYSA-N 1 2 340.383 2.564 10 5 EFBELO C[N@H+](CCCNC(=O)c1cc(O)ccc1[N+](=O)[O-])C1CCCCC1 ZINC000505225282 478859653 /nfs/dbraw/zinc/85/96/53/478859653.db2.gz QRRUYBFGFJJBJX-UHFFFAOYSA-N 1 2 335.404 2.685 10 5 EFBELO C[N@@H+](CCCNC(=O)c1cc(O)ccc1[N+](=O)[O-])C1CCCCC1 ZINC000505225282 478859661 /nfs/dbraw/zinc/85/96/61/478859661.db2.gz QRRUYBFGFJJBJX-UHFFFAOYSA-N 1 2 335.404 2.685 10 5 EFBELO C[C@@]1(C2CC2)C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000595617748 478892742 /nfs/dbraw/zinc/89/27/42/478892742.db2.gz JXJJGYJEXXWITB-KRWDZBQOSA-N 1 2 344.371 2.646 10 5 EFBELO C[C@@]1(C2CC2)C[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000595617748 478892749 /nfs/dbraw/zinc/89/27/49/478892749.db2.gz JXJJGYJEXXWITB-KRWDZBQOSA-N 1 2 344.371 2.646 10 5 EFBELO C[C@H]1COC2(CCC2)C[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000595681108 478932946 /nfs/dbraw/zinc/93/29/46/478932946.db2.gz KAOUUHNCCHJQOB-LBPRGKRZSA-N 1 2 344.371 2.788 10 5 EFBELO C[C@H]1COC2(CCC2)C[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000595681108 478932954 /nfs/dbraw/zinc/93/29/54/478932954.db2.gz KAOUUHNCCHJQOB-LBPRGKRZSA-N 1 2 344.371 2.788 10 5 EFBELO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H](C(F)F)C1CCCCC1 ZINC000598647878 478944636 /nfs/dbraw/zinc/94/46/36/478944636.db2.gz CPKXBXDBVNCJTA-CQSZACIVSA-N 1 2 329.347 2.560 10 5 EFBELO C[C@@H]1C[NH+](Cc2ccc(Br)cc2[N+](=O)[O-])C[C@@H](C)C1O ZINC000595732300 478963360 /nfs/dbraw/zinc/96/33/60/478963360.db2.gz LOILRRTWCYDGSZ-NXEZZACHSA-N 1 2 343.221 2.806 10 5 EFBELO Cc1ccc(C[NH2+][C@@H]2CS(=O)(=O)Cc3ccccc32)cc1[N+](=O)[O-] ZINC000598678380 478966432 /nfs/dbraw/zinc/96/64/32/478966432.db2.gz XBEZLQZZHOHTHN-MRXNPFEDSA-N 1 2 346.408 2.663 10 5 EFBELO Cc1ccc(C[NH2+][C@H]2CS(=O)(=O)Cc3ccccc32)cc1[N+](=O)[O-] ZINC000598678379 478967490 /nfs/dbraw/zinc/96/74/90/478967490.db2.gz XBEZLQZZHOHTHN-INIZCTEOSA-N 1 2 346.408 2.663 10 5 EFBELO COc1cc(C[NH2+][C@@H](CO)c2ccc(F)cc2F)ccc1[N+](=O)[O-] ZINC000595867081 479040814 /nfs/dbraw/zinc/04/08/14/479040814.db2.gz KPPPLOJJWISRQP-AWEZNQCLSA-N 1 2 338.310 2.705 10 5 EFBELO C[C@@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@@](C)(C(F)F)O1 ZINC000595920962 479073591 /nfs/dbraw/zinc/07/35/91/479073591.db2.gz VOKDMBLHKIMNSY-ABAIWWIYSA-N 1 2 330.331 2.718 10 5 EFBELO C[C@@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@@](C)(C(F)F)O1 ZINC000595920962 479073597 /nfs/dbraw/zinc/07/35/97/479073597.db2.gz VOKDMBLHKIMNSY-ABAIWWIYSA-N 1 2 330.331 2.718 10 5 EFBELO C[C@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@@](C)(C(F)F)O1 ZINC000595921669 479076008 /nfs/dbraw/zinc/07/60/08/479076008.db2.gz YKHHQQYVTUGEIC-NHYWBVRUSA-N 1 2 330.331 2.718 10 5 EFBELO C[C@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])C[C@@](C)(C(F)F)O1 ZINC000595921669 479076009 /nfs/dbraw/zinc/07/60/09/479076009.db2.gz YKHHQQYVTUGEIC-NHYWBVRUSA-N 1 2 330.331 2.718 10 5 EFBELO C[C@H]([NH2+][C@@H]1c2ccccc2CN(C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000598932937 479088690 /nfs/dbraw/zinc/08/86/90/479088690.db2.gz KMROEQNSMBRNJU-YVEFUNNKSA-N 1 2 325.368 2.959 10 5 EFBELO CC(C)c1ncc2c(n1)CC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C2 ZINC000598935413 479090204 /nfs/dbraw/zinc/09/02/04/479090204.db2.gz FXYFXYICUHBPLF-UHFFFAOYSA-N 1 2 342.399 2.945 10 5 EFBELO CC(C)c1ncc2c(n1)CC[N@H+](CCOc1cccc([N+](=O)[O-])c1)C2 ZINC000598935413 479090213 /nfs/dbraw/zinc/09/02/13/479090213.db2.gz FXYFXYICUHBPLF-UHFFFAOYSA-N 1 2 342.399 2.945 10 5 EFBELO CCOC(=O)[C@H]1CCCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599016429 479126836 /nfs/dbraw/zinc/12/68/36/479126836.db2.gz OPFGXBRWVCOKOJ-ZDUSSCGKSA-N 1 2 329.356 2.923 10 5 EFBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)[C@H](C)c2cccnc2)c1 ZINC000593018631 479126839 /nfs/dbraw/zinc/12/68/39/479126839.db2.gz MWIAZHRZEYWCPR-GFCCVEGCSA-N 1 2 329.356 2.969 10 5 EFBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)[C@H](C)c2cccnc2)c1 ZINC000593018631 479126843 /nfs/dbraw/zinc/12/68/43/479126843.db2.gz MWIAZHRZEYWCPR-GFCCVEGCSA-N 1 2 329.356 2.969 10 5 EFBELO CC(C)Oc1cc[nH+]c(CN2CCc3ncc([N+](=O)[O-])cc3C2)c1 ZINC000593021972 479127989 /nfs/dbraw/zinc/12/79/89/479127989.db2.gz RQNMNAPWOLJISL-UHFFFAOYSA-N 1 2 328.372 2.730 10 5 EFBELO Cn1cnnc1[C@@H]1CCCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599019550 479127996 /nfs/dbraw/zinc/12/79/96/479127996.db2.gz GTYNRGWPXHXQHG-CYBMUJFWSA-N 1 2 338.371 2.656 10 5 EFBELO COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2CC3(C2)CC(F)(F)C3)c1 ZINC000593019409 479128461 /nfs/dbraw/zinc/12/84/61/479128461.db2.gz GSPQAKNMPYEVKD-UHFFFAOYSA-N 1 2 326.299 2.613 10 5 EFBELO O=C(CCNc1ccc2c[nH+]ccc2c1[N+](=O)[O-])N1CCCCC1 ZINC000599023211 479129688 /nfs/dbraw/zinc/12/96/88/479129688.db2.gz CRSGIEURTHRRNS-UHFFFAOYSA-N 1 2 328.372 2.958 10 5 EFBELO COCCOC[C@@H]1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599051097 479139217 /nfs/dbraw/zinc/13/92/17/479139217.db2.gz FHBWVTFZVKKNDC-CYBMUJFWSA-N 1 2 331.372 2.632 10 5 EFBELO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000599062817 479144713 /nfs/dbraw/zinc/14/47/13/479144713.db2.gz UFSRHYVMITVNAU-HOTGVXAUSA-N 1 2 329.356 2.527 10 5 EFBELO CC[C@H]1CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000599070463 479149271 /nfs/dbraw/zinc/14/92/71/479149271.db2.gz 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C[C@H]1OCC[C@@]12CN(c1ccc3c[nH+]ccc3c1[N+](=O)[O-])CCO2 ZINC000599077670 479152849 /nfs/dbraw/zinc/15/28/49/479152849.db2.gz HAGORQDQVZZJLI-SJKOYZFVSA-N 1 2 329.356 2.527 10 5 EFBELO CC1(C)CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC[S@]1=O ZINC000599082313 479153198 /nfs/dbraw/zinc/15/31/98/479153198.db2.gz BELSLSKZUQKVOA-HSZRJFAPSA-N 1 2 333.413 2.880 10 5 EFBELO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000599087609 479156507 /nfs/dbraw/zinc/15/65/07/479156507.db2.gz LDSDGEYYLKIXQU-QMTHXVAHSA-N 1 2 341.289 2.893 10 5 EFBELO C[C@@H]1CC[C@@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CS1(=O)=O ZINC000599108963 479163561 /nfs/dbraw/zinc/16/35/61/479163561.db2.gz XECTXOBCDNQBOT-ZYHUDNBSSA-N 1 2 335.385 2.521 10 5 EFBELO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc3[nH+]ccn3c2)c1C ZINC000610796471 479191188 /nfs/dbraw/zinc/19/11/88/479191188.db2.gz MEJMEIAFEUUFRI-UHFFFAOYSA-N 1 2 346.368 2.660 10 5 EFBELO Cc1cc(NC[C@@H]2C[N@H+](Cc3ccncc3)CCO2)ccc1[N+](=O)[O-] ZINC000599183748 479199931 /nfs/dbraw/zinc/19/99/31/479199931.db2.gz STQFCZQOXXTKMC-QGZVFWFLSA-N 1 2 342.399 2.611 10 5 EFBELO Cc1cc(NC[C@@H]2C[N@@H+](Cc3ccncc3)CCO2)ccc1[N+](=O)[O-] ZINC000599183748 479199937 /nfs/dbraw/zinc/19/99/37/479199937.db2.gz STQFCZQOXXTKMC-QGZVFWFLSA-N 1 2 342.399 2.611 10 5 EFBELO CCn1cc[nH+]c1CNc1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000596251120 479223546 /nfs/dbraw/zinc/22/35/46/479223546.db2.gz NZSUYTHGCBFLCM-UHFFFAOYSA-N 1 2 338.751 2.863 10 5 EFBELO O=C(NCCc1cccc([N+](=O)[O-])c1)Nc1ccc2[nH+]ccn2c1 ZINC000611161455 479298151 /nfs/dbraw/zinc/29/81/51/479298151.db2.gz VKJYNTNIEOJZQO-UHFFFAOYSA-N 1 2 325.328 2.607 10 5 EFBELO COC(=O)c1ccc(C[N@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])nc1 ZINC000599450770 479302744 /nfs/dbraw/zinc/30/27/44/479302744.db2.gz ZKRMUMLMICPVJQ-UHFFFAOYSA-N 1 2 333.319 2.548 10 5 EFBELO COC(=O)c1ccc(C[N@@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])nc1 ZINC000599450770 479302749 /nfs/dbraw/zinc/30/27/49/479302749.db2.gz ZKRMUMLMICPVJQ-UHFFFAOYSA-N 1 2 333.319 2.548 10 5 EFBELO CO[C@H]1C[C@@H](N(C)c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000557696328 479303188 /nfs/dbraw/zinc/30/31/88/479303188.db2.gz BBSIFCLGJGYCFI-GASCZTMLSA-N 1 2 328.372 2.974 10 5 EFBELO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](C(F)F)C1 ZINC000611180301 479303193 /nfs/dbraw/zinc/30/31/93/479303193.db2.gz WQANRGBNHNOJGB-UWVGGRQHSA-N 1 2 343.330 2.517 10 5 EFBELO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@H](C(F)F)C1 ZINC000611180301 479303199 /nfs/dbraw/zinc/30/31/99/479303199.db2.gz WQANRGBNHNOJGB-UWVGGRQHSA-N 1 2 343.330 2.517 10 5 EFBELO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CC2(C1)CC(F)(F)C2 ZINC000611179374 479304033 /nfs/dbraw/zinc/30/40/33/479304033.db2.gz BYWZVMGPCNUHCB-SNVBAGLBSA-N 1 2 325.315 2.653 10 5 EFBELO C[C@@H]1CC[C@@H](Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CS1(=O)=O ZINC000596466626 479306768 /nfs/dbraw/zinc/30/67/68/479306768.db2.gz SVIOEASABASECL-ZYHUDNBSSA-N 1 2 335.385 2.521 10 5 EFBELO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000593384477 479320811 /nfs/dbraw/zinc/32/08/11/479320811.db2.gz QKVDOZGXMWXOBW-UHFFFAOYSA-N 1 2 328.372 2.926 10 5 EFBELO CC(=O)Nc1cccc2c1CC[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C2 ZINC000611263378 479328157 /nfs/dbraw/zinc/32/81/57/479328157.db2.gz NXYHGNUXKRYXEG-UHFFFAOYSA-N 1 2 341.367 2.817 10 5 EFBELO CC(=O)Nc1cccc2c1CC[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C2 ZINC000611263378 479328163 /nfs/dbraw/zinc/32/81/63/479328163.db2.gz NXYHGNUXKRYXEG-UHFFFAOYSA-N 1 2 341.367 2.817 10 5 EFBELO Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)CC2 ZINC000599633990 479361722 /nfs/dbraw/zinc/36/17/22/479361722.db2.gz DQARTOBMJUZEFW-UKRRQHHQSA-N 1 2 342.399 2.848 10 5 EFBELO COc1cc(C[N@@H+]2CCC[C@@H]2c2ccc(=O)[nH]n2)c([N+](=O)[O-])cc1F ZINC000599641686 479365114 /nfs/dbraw/zinc/36/51/14/479365114.db2.gz OEYODNOAEZTJMX-CYBMUJFWSA-N 1 2 348.334 2.575 10 5 EFBELO COc1cc(C[N@H+]2CCC[C@@H]2c2ccc(=O)[nH]n2)c([N+](=O)[O-])cc1F ZINC000599641686 479365117 /nfs/dbraw/zinc/36/51/17/479365117.db2.gz 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O=C(C[N@@H+]1CC=CCC1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000611517493 479402211 /nfs/dbraw/zinc/40/22/11/479402211.db2.gz IWBQTHIIWMFSED-UHFFFAOYSA-N 1 2 344.396 2.919 10 5 EFBELO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000611576832 479421392 /nfs/dbraw/zinc/42/13/92/479421392.db2.gz FMMPJFKDCPRYAJ-GXFFZTMASA-N 1 2 343.330 2.625 10 5 EFBELO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](OC(F)F)C1 ZINC000611576832 479421398 /nfs/dbraw/zinc/42/13/98/479421398.db2.gz FMMPJFKDCPRYAJ-GXFFZTMASA-N 1 2 343.330 2.625 10 5 EFBELO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000611578454 479423608 /nfs/dbraw/zinc/42/36/08/479423608.db2.gz FBEDIDFRQHHOKV-LLVKDONJSA-N 1 2 343.330 2.545 10 5 EFBELO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@@H](OC(F)F)C1 ZINC000611578454 479423610 /nfs/dbraw/zinc/42/36/10/479423610.db2.gz FBEDIDFRQHHOKV-LLVKDONJSA-N 1 2 343.330 2.545 10 5 EFBELO COCc1cc[nH+]c(N[C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000593696209 479426248 /nfs/dbraw/zinc/42/62/48/479426248.db2.gz FMLMZODXXSXHKB-LBPRGKRZSA-N 1 2 344.371 2.965 10 5 EFBELO COCc1cc[nH+]c(N[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000593725505 479435551 /nfs/dbraw/zinc/43/55/51/479435551.db2.gz NIYXTSHWTCEJLX-ZIAGYGMSSA-N 1 2 331.376 2.929 10 5 EFBELO Nc1nc(NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)[nH+]c2ccccc12 ZINC000588864576 479450826 /nfs/dbraw/zinc/45/08/26/479450826.db2.gz VRLZZQWZCRBCEF-UHFFFAOYSA-N 1 2 348.366 2.508 10 5 EFBELO C[C@H]1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)C[C@H]1n1cc[nH+]c1 ZINC000611706736 479451805 /nfs/dbraw/zinc/45/18/05/479451805.db2.gz HDEDLRPDMPQLII-BLLLJJGKSA-N 1 2 338.371 2.822 10 5 EFBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCOC[C@@H]2CC(C)C)c1 ZINC000589497898 479533190 /nfs/dbraw/zinc/53/31/90/479533190.db2.gz GYENZQFFFNLFMD-HNNXBMFYSA-N 1 2 336.388 2.628 10 5 EFBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCOC[C@@H]2CC(C)C)c1 ZINC000589497898 479533195 /nfs/dbraw/zinc/53/31/95/479533195.db2.gz GYENZQFFFNLFMD-HNNXBMFYSA-N 1 2 336.388 2.628 10 5 EFBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCCc3occc3C2)c1 ZINC000589516979 479536928 /nfs/dbraw/zinc/53/69/28/479536928.db2.gz GHORWZZADLNSNK-UHFFFAOYSA-N 1 2 330.340 2.923 10 5 EFBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCCc3occc3C2)c1 ZINC000589516979 479536933 /nfs/dbraw/zinc/53/69/33/479536933.db2.gz GHORWZZADLNSNK-UHFFFAOYSA-N 1 2 330.340 2.923 10 5 EFBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c1 ZINC000589520522 479536994 /nfs/dbraw/zinc/53/69/94/479536994.db2.gz WYOABLFQRBKWJF-HOTGVXAUSA-N 1 2 348.399 2.771 10 5 EFBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c1 ZINC000589520522 479537001 /nfs/dbraw/zinc/53/70/01/479537001.db2.gz WYOABLFQRBKWJF-HOTGVXAUSA-N 1 2 348.399 2.771 10 5 EFBELO Cc1ccnc([C@@H]2CC[N@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C2)c1 ZINC000594007753 479544349 /nfs/dbraw/zinc/54/43/49/479544349.db2.gz GOMYGHYCQLYMHX-CQSZACIVSA-N 1 2 340.383 2.726 10 5 EFBELO Cc1ccnc([C@@H]2CC[N@@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C2)c1 ZINC000594007753 479544351 /nfs/dbraw/zinc/54/43/51/479544351.db2.gz GOMYGHYCQLYMHX-CQSZACIVSA-N 1 2 340.383 2.726 10 5 EFBELO O=C(NC[C@@H]1CC[C@H]2C[C@H]2C1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000600162384 479553704 /nfs/dbraw/zinc/55/37/04/479553704.db2.gz RZGXBKNHKTUMAQ-VNHYZAJKSA-N 1 2 340.383 2.947 10 5 EFBELO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC[C@@H]1C1CC1 ZINC000590629210 479672531 /nfs/dbraw/zinc/67/25/31/479672531.db2.gz AFTLUAMEBQWKPH-CQSZACIVSA-N 1 2 326.356 2.795 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(C(=O)N2CCCCC2)CC1 ZINC000612576556 479698831 /nfs/dbraw/zinc/69/88/31/479698831.db2.gz ZVSGNTHFXKBLQO-UHFFFAOYSA-N 1 2 346.431 2.627 10 5 EFBELO Cc1cc[nH+]cc1N1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000619589435 479836841 /nfs/dbraw/zinc/83/68/41/479836841.db2.gz PIXSTZSGSCVDTO-UHFFFAOYSA-N 1 2 339.399 2.593 10 5 EFBELO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc[nH+]cc1N(C)C ZINC000614050481 480175836 /nfs/dbraw/zinc/17/58/36/480175836.db2.gz AUNGTJZYPSTZEE-CQSZACIVSA-N 1 2 342.399 2.685 10 5 EFBELO COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000610026344 480230975 /nfs/dbraw/zinc/23/09/75/480230975.db2.gz KXQIJALOHDAITJ-UHFFFAOYSA-N 1 2 341.327 2.573 10 5 EFBELO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@H](OC(F)F)C3)nc2c1 ZINC000618304571 480613870 /nfs/dbraw/zinc/61/38/70/480613870.db2.gz SJEVSFUPEITAFL-JTQLQIEISA-N 1 2 326.303 2.675 10 5 EFBELO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@H](OC(F)F)C3)nc2c1 ZINC000618304571 480613875 /nfs/dbraw/zinc/61/38/75/480613875.db2.gz SJEVSFUPEITAFL-JTQLQIEISA-N 1 2 326.303 2.675 10 5 EFBELO COC(=O)c1cc(NCCCNc2cccc[nH+]2)cc(C)c1[N+](=O)[O-] ZINC000180408341 521894232 /nfs/dbraw/zinc/89/42/32/521894232.db2.gz MYBYOGZJOXGTCF-UHFFFAOYSA-N 1 2 344.371 2.999 10 5 EFBELO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCN(c2ccccc2)C1=O ZINC000068815532 523273151 /nfs/dbraw/zinc/27/31/51/523273151.db2.gz KZDSMSYHMDJDAA-KRWDZBQOSA-N 1 2 325.368 2.832 10 5 EFBELO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCN(c2ccccc2)C1=O ZINC000068815532 523273159 /nfs/dbraw/zinc/27/31/59/523273159.db2.gz KZDSMSYHMDJDAA-KRWDZBQOSA-N 1 2 325.368 2.832 10 5 EFBELO Cc1sc(C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000120322169 526872359 /nfs/dbraw/zinc/87/23/59/526872359.db2.gz XXWGDUNAQMYVSZ-LBPRGKRZSA-N 1 2 348.428 2.793 10 5 EFBELO O=[N+]([O-])c1c(N2CC[C@H](CNc3cccc[nH+]3)C2)nc2sccn21 ZINC000195513658 527321124 /nfs/dbraw/zinc/32/11/24/527321124.db2.gz YBVCDKWRIJDCID-LLVKDONJSA-N 1 2 344.400 2.637 10 5 EFBELO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCO[C@H](c3nccs3)C2)cc1 ZINC000195521917 527372648 /nfs/dbraw/zinc/37/26/48/527372648.db2.gz MMUUZPQJYCMRGL-AWEZNQCLSA-N 1 2 335.385 2.504 10 5 EFBELO O=[N+]([O-])c1ccc(OCC[N@H+]2CCO[C@H](c3nccs3)C2)cc1 ZINC000195521917 527372650 /nfs/dbraw/zinc/37/26/50/527372650.db2.gz MMUUZPQJYCMRGL-AWEZNQCLSA-N 1 2 335.385 2.504 10 5 EFBELO O=C(Nc1nccs1)[C@H]1CCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000074314167 527527866 /nfs/dbraw/zinc/52/78/66/527527866.db2.gz XZAZVSXGNCSRKR-CYBMUJFWSA-N 1 2 332.385 2.654 10 5 EFBELO O=C(Nc1nccs1)[C@H]1CCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000074314167 527527870 /nfs/dbraw/zinc/52/78/70/527527870.db2.gz XZAZVSXGNCSRKR-CYBMUJFWSA-N 1 2 332.385 2.654 10 5 EFBELO Cc1csc(C2([NH2+]Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CCC2)n1 ZINC000265443766 545625986 /nfs/dbraw/zinc/62/59/86/545625986.db2.gz AJEBIOJTSHJBNE-UHFFFAOYSA-N 1 2 346.412 2.628 10 5 EFBELO Cc1cc(Br)ccc1C[N@H+](C)Cn1nccc1[N+](=O)[O-] ZINC000766089470 577106200 /nfs/dbraw/zinc/10/62/00/577106200.db2.gz QHZQWMIZDOMTBA-UHFFFAOYSA-N 1 2 339.193 2.952 10 5 EFBELO Cc1cc(Br)ccc1C[N@@H+](C)Cn1nccc1[N+](=O)[O-] ZINC000766089470 577106204 /nfs/dbraw/zinc/10/62/04/577106204.db2.gz QHZQWMIZDOMTBA-UHFFFAOYSA-N 1 2 339.193 2.952 10 5 EFBELO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000791415672 1278096839 /nfs/dbraw/zinc/09/68/39/1278096839.db2.gz DDYNHWAVOFLGOT-UHFFFAOYSA-N 1 2 338.323 2.841 10 5 EFBELO O=[N+]([O-])c1ccc(CC[NH+]2CC(O)(c3ccc(Cl)cc3)C2)cc1 ZINC000787693743 1275865374 /nfs/dbraw/zinc/86/53/74/1275865374.db2.gz PHUUPZOTNOFOHG-UHFFFAOYSA-N 1 2 332.787 2.994 10 5 EFBELO O=[N+]([O-])c1cc(-c2nc(-c3cscn3)no2)ccc1-n1cc[nH+]c1 ZINC000788474936 1276191289 /nfs/dbraw/zinc/19/12/89/1276191289.db2.gz DCJCOTYTVXEOCG-UHFFFAOYSA-N 1 2 340.324 2.954 10 5 EFBELO CC[C@@H](C(=O)OC(C)(C)C)[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000844474344 1279030545 /nfs/dbraw/zinc/03/05/45/1279030545.db2.gz OBEVDMALJKYJGW-LSDHHAIUSA-N 1 2 338.404 2.680 10 5 EFBELO CC[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000844474344 1279030554 /nfs/dbraw/zinc/03/05/54/1279030554.db2.gz OBEVDMALJKYJGW-LSDHHAIUSA-N 1 2 338.404 2.680 10 5 EFBELO CC[C@H](C(=O)OC(C)(C)C)[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000844474342 1279030734 /nfs/dbraw/zinc/03/07/34/1279030734.db2.gz OBEVDMALJKYJGW-HUUCEWRRSA-N 1 2 338.404 2.680 10 5 EFBELO CC[C@H](C(=O)OC(C)(C)C)[N@@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000844474342 1279030742 /nfs/dbraw/zinc/03/07/42/1279030742.db2.gz OBEVDMALJKYJGW-HUUCEWRRSA-N 1 2 338.404 2.680 10 5 EFBELO O=C(Cc1cn2c([nH+]1)CCCC2)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000845762829 1279822618 /nfs/dbraw/zinc/82/26/18/1279822618.db2.gz BMXGHEWQPJIMPS-UHFFFAOYSA-N 1 2 348.790 2.640 10 5 EFBELO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)Cc1cn3c([nH+]1)CCCC3)CC2 ZINC000845913653 1279910934 /nfs/dbraw/zinc/91/09/34/1279910934.db2.gz GPRPWCPVEGTRMB-UHFFFAOYSA-N 1 2 340.383 2.568 10 5 EFBELO C[C@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1=O)c1c(F)cccc1[N+](=O)[O-] ZINC000872045830 1287410964 /nfs/dbraw/zinc/41/09/64/1287410964.db2.gz RQQNTHLMISYHPU-WPRPVWTQSA-N 1 2 349.284 2.548 10 5 EFBELO C[C@H]([NH2+]Cc1ccc2c(c1)C(=O)NCC2)c1c(F)cccc1[N+](=O)[O-] ZINC000872063362 1287416894 /nfs/dbraw/zinc/41/68/94/1287416894.db2.gz VUCKTLDZDUICOK-NSHDSACASA-N 1 2 343.358 2.871 10 5 EFBELO CC1(C)C[C@H](O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC001175411975 1287420594 /nfs/dbraw/zinc/42/05/94/1287420594.db2.gz VUHQLJUDKIWLNQ-LBPRGKRZSA-N 1 2 343.221 2.950 10 5 EFBELO CC1(C)C[C@H](O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC001175411975 1287420599 /nfs/dbraw/zinc/42/05/99/1287420599.db2.gz VUHQLJUDKIWLNQ-LBPRGKRZSA-N 1 2 343.221 2.950 10 5 EFBELO C[C@H]([NH2+][C@H]1Cc2ccccc2N(C)C1=O)c1c(F)cccc1[N+](=O)[O-] ZINC000872086087 1287424576 /nfs/dbraw/zinc/42/45/76/1287424576.db2.gz UIHQDXCZCIMHTG-FZMZJTMJSA-N 1 2 343.358 2.972 10 5 EFBELO Cn1ccnc1[C@@H]([NH2+]C[C@H]1CC(C)(C)CO1)c1cccc([N+](=O)[O-])c1 ZINC000872107520 1287430721 /nfs/dbraw/zinc/43/07/21/1287430721.db2.gz ZDHPSKSSSUFLMN-CVEARBPZSA-N 1 2 344.415 2.822 10 5 EFBELO CO[C@H]1C[C@@H]([N@H+](C)Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000809693690 1282380135 /nfs/dbraw/zinc/38/01/35/1282380135.db2.gz YNHDMLWEESVQEN-AOOOYVTPSA-N 1 2 329.194 2.967 10 5 EFBELO CO[C@H]1C[C@@H]([N@@H+](C)Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000809693690 1282380146 /nfs/dbraw/zinc/38/01/46/1282380146.db2.gz YNHDMLWEESVQEN-AOOOYVTPSA-N 1 2 329.194 2.967 10 5 EFBELO C[C@@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1nnc2n1CCCCC2 ZINC000815557507 1287595253 /nfs/dbraw/zinc/59/52/53/1287595253.db2.gz WNYZPVBLXZJZSK-VXGBXAGGSA-N 1 2 344.419 2.907 10 5 EFBELO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCS[C@H](C(F)(F)F)C1 ZINC001176175536 1287727229 /nfs/dbraw/zinc/72/72/29/1287727229.db2.gz MVQZHQAXTUPXJW-LBPRGKRZSA-N 1 2 336.335 2.953 10 5 EFBELO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCS[C@H](C(F)(F)F)C1 ZINC001176175536 1287727236 /nfs/dbraw/zinc/72/72/36/1287727236.db2.gz MVQZHQAXTUPXJW-LBPRGKRZSA-N 1 2 336.335 2.953 10 5 EFBELO CN(Cc1ccc(N)[nH+]c1)c1ncnc2c(Cl)cc([N+](=O)[O-])cc21 ZINC001186024055 1290819129 /nfs/dbraw/zinc/81/91/29/1290819129.db2.gz YXLADPFMPQYWDV-UHFFFAOYSA-N 1 2 344.762 2.805 10 5 EFBELO COC(=O)/C=C/c1ccc(NCCCCn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000775484028 1292668229 /nfs/dbraw/zinc/66/82/29/1292668229.db2.gz ZZNIAUYQKXXKSW-FNORWQNLSA-N 1 2 344.371 2.870 10 5 EFBELO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1CCCO1 ZINC001198686764 1295202210 /nfs/dbraw/zinc/20/22/10/1295202210.db2.gz XNPKXPVBNREFGR-GDBMZVCRSA-N 1 2 347.415 2.875 10 5 EFBELO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCCC[C@@H]1[C@H]1CCCO1 ZINC001198686764 1295202219 /nfs/dbraw/zinc/20/22/19/1295202219.db2.gz XNPKXPVBNREFGR-GDBMZVCRSA-N 1 2 347.415 2.875 10 5 EFBELO CN(C(=O)CCCF)C1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001490413428 1298891834 /nfs/dbraw/zinc/89/18/34/1298891834.db2.gz VHJPHTHVZHYPGB-UHFFFAOYSA-N 1 2 343.424 2.829 10 5 EFBELO C[C@]1(C2CC2)C[N@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)CCO1 ZINC000853529599 1300150105 /nfs/dbraw/zinc/15/01/05/1300150105.db2.gz ZVOJGLYOWYHCSL-GOSISDBHSA-N 1 2 342.399 2.917 10 5 EFBELO C[C@]1(C2CC2)C[N@@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)CCO1 ZINC000853529599 1300150112 /nfs/dbraw/zinc/15/01/12/1300150112.db2.gz ZVOJGLYOWYHCSL-GOSISDBHSA-N 1 2 342.399 2.917 10 5 EFBELO Cc1nn(C[N@@H+]2CCO[C@](C)(C3CC3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000853529062 1300150297 /nfs/dbraw/zinc/15/02/97/1300150297.db2.gz OPJMRIQCKDTLFX-KRWDZBQOSA-N 1 2 330.388 2.711 10 5 EFBELO Cc1nn(C[N@H+]2CCO[C@](C)(C3CC3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000853529062 1300150299 /nfs/dbraw/zinc/15/02/99/1300150299.db2.gz OPJMRIQCKDTLFX-KRWDZBQOSA-N 1 2 330.388 2.711 10 5 EFBELO C[N@H+](C[C@@H]1CC=CCC1)Cn1nc(-c2ccccc2[N+](=O)[O-])oc1=O ZINC000794639732 1302847176 /nfs/dbraw/zinc/84/71/76/1302847176.db2.gz OAKQGLYIAGPJFR-CYBMUJFWSA-N 1 2 344.371 2.657 10 5 EFBELO C[N@@H+](C[C@@H]1CC=CCC1)Cn1nc(-c2ccccc2[N+](=O)[O-])oc1=O ZINC000794639732 1302847191 /nfs/dbraw/zinc/84/71/91/1302847191.db2.gz OAKQGLYIAGPJFR-CYBMUJFWSA-N 1 2 344.371 2.657 10 5 EFBELO O=C(NCC[C@H]1CCSC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000869596939 1304868780 /nfs/dbraw/zinc/86/87/80/1304868780.db2.gz YCEQPTJPOWYMIK-LBPRGKRZSA-N 1 2 346.412 2.654 10 5 EFBELO CSc1ccc([N+](=O)[O-])c(C(=O)O[C@@H]2CC[N@H+](CCF)C2)c1 ZINC000802239034 1311496032 /nfs/dbraw/zinc/49/60/32/1311496032.db2.gz RKWLERYFVLDRNF-SNVBAGLBSA-N 1 2 328.365 2.517 10 5 EFBELO CSc1ccc([N+](=O)[O-])c(C(=O)O[C@@H]2CC[N@@H+](CCF)C2)c1 ZINC000802239034 1311496033 /nfs/dbraw/zinc/49/60/33/1311496033.db2.gz RKWLERYFVLDRNF-SNVBAGLBSA-N 1 2 328.365 2.517 10 5 EFBELO Cc1nn(C[N@@H+]2CC[C@H](OC(F)F)C2)c2cc([N+](=O)[O-])ccc12 ZINC000802747531 1311984522 /nfs/dbraw/zinc/98/45/22/1311984522.db2.gz OKEPTLWAPKSQFC-NSHDSACASA-N 1 2 326.303 2.524 10 5 EFBELO Cc1nn(C[N@H+]2CC[C@H](OC(F)F)C2)c2cc([N+](=O)[O-])ccc12 ZINC000802747531 1311984525 /nfs/dbraw/zinc/98/45/25/1311984525.db2.gz OKEPTLWAPKSQFC-NSHDSACASA-N 1 2 326.303 2.524 10 5 EFBELO COC(=O)Cc1ccc(NCc2c[nH]c(C(C)C)[nH+]2)c([N+](=O)[O-])c1 ZINC001164221449 1312471720 /nfs/dbraw/zinc/47/17/20/1312471720.db2.gz YLKPCEOFKGPWKU-UHFFFAOYSA-N 1 2 332.360 2.769 10 5 EFBELO COC(=O)Cc1ccc(NCc2c[nH+]c(C(C)C)[nH]2)c([N+](=O)[O-])c1 ZINC001164221449 1312471722 /nfs/dbraw/zinc/47/17/22/1312471722.db2.gz YLKPCEOFKGPWKU-UHFFFAOYSA-N 1 2 332.360 2.769 10 5 EFBELO CCNc1cc(CNC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc[nH+]1 ZINC001255330569 1315804341 /nfs/dbraw/zinc/80/43/41/1315804341.db2.gz HLFSENCPZPTUOT-LBPRGKRZSA-N 1 2 343.387 2.982 10 5 EFBELO O=C(Nc1cnn2ccccc12)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001279095969 1316147636 /nfs/dbraw/zinc/14/76/36/1316147636.db2.gz VZBZWINEMAWCFL-UHFFFAOYSA-N 1 2 348.322 2.681 10 5 EFBELO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001292716588 1322109267 /nfs/dbraw/zinc/10/92/67/1322109267.db2.gz HYDGGKCXDYKFIF-LBPRGKRZSA-N 1 2 344.371 2.736 10 5 EFBELO O=C(NCc1[nH]c2c([nH+]1)CCCC2)c1cccc([N+](=O)[O-])c1Cl ZINC001304057089 1324635464 /nfs/dbraw/zinc/63/54/64/1324635464.db2.gz YFFAUHZFVGGVSV-UHFFFAOYSA-N 1 2 334.763 2.780 10 5 EFBELO C[N@@H+]1CC[C@@H]1CNc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC001307214639 1324751643 /nfs/dbraw/zinc/75/16/43/1324751643.db2.gz OBQRGQRVDSVBOX-OAHLLOKOSA-N 1 2 325.368 2.942 10 5 EFBELO C[N@H+]1CC[C@@H]1CNc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC001307214639 1324751650 /nfs/dbraw/zinc/75/16/50/1324751650.db2.gz OBQRGQRVDSVBOX-OAHLLOKOSA-N 1 2 325.368 2.942 10 5 EFBELO O=C(CCCF)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1[N+](=O)[O-] ZINC001323789506 1329570714 /nfs/dbraw/zinc/57/07/14/1329570714.db2.gz VYZBIWDKCVUCOC-IYBDPMFKSA-N 1 2 349.406 2.910 10 5 EFBELO O=C(CCCF)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1[N+](=O)[O-] ZINC001323789506 1329570715 /nfs/dbraw/zinc/57/07/15/1329570715.db2.gz VYZBIWDKCVUCOC-IYBDPMFKSA-N 1 2 349.406 2.910 10 5 EFBELO COC(=O)c1cnc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)s1 ZINC001331565556 1330853391 /nfs/dbraw/zinc/85/33/91/1330853391.db2.gz KDCCPHHKYRNCQF-UHFFFAOYSA-N 1 2 335.385 2.863 10 5 EFBELO CC(C)(COC(=O)CSc1ccc([N+](=O)[O-])cc1)n1cc[nH+]c1 ZINC001349031998 1332897907 /nfs/dbraw/zinc/89/79/07/1332897907.db2.gz GIHQNEYBWDBXTN-UHFFFAOYSA-N 1 2 335.385 2.862 10 5 EFBELO O=[N+]([O-])c1cnn(C[NH+]2CCC(c3ccc4cccnc4n3)CC2)c1 ZINC000848496149 1334752511 /nfs/dbraw/zinc/75/25/11/1334752511.db2.gz WSMORAYQKUCXHX-UHFFFAOYSA-N 1 2 338.371 2.572 10 5 EFBELO CO[C@@H](COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CCC1 ZINC000849766457 1335742956 /nfs/dbraw/zinc/74/29/56/1335742956.db2.gz JCIBFYBYPQXIBG-INIZCTEOSA-N 1 2 345.355 2.752 10 5 EFBELO CC(C)c1[nH]cc(CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)[nH+]1 ZINC001456344675 1394671752 /nfs/dbraw/zinc/67/17/52/1394671752.db2.gz MIDBAIXYXQCCEG-UHFFFAOYSA-N 1 2 341.371 2.712 10 5 EFBELO CC(C)c1[nH]c(CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)c[nH+]1 ZINC001456344675 1394671756 /nfs/dbraw/zinc/67/17/56/1394671756.db2.gz MIDBAIXYXQCCEG-UHFFFAOYSA-N 1 2 341.371 2.712 10 5 EFBELO CNc1cc(CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)cc[nH+]1 ZINC001458616343 1395523114 /nfs/dbraw/zinc/52/31/14/1395523114.db2.gz HDKVUJTXTSTBQB-UHFFFAOYSA-N 1 2 327.344 2.528 10 5 EFBELO CC[NH+](CC)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)CC(C)C ZINC001464868287 1396623196 /nfs/dbraw/zinc/62/31/96/1396623196.db2.gz LKLOWSTWROSVOF-AWEZNQCLSA-N 1 2 337.420 2.787 10 5 EFBELO Cc1[nH]c(CNC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)[nH+]c1C ZINC001465748724 1396707932 /nfs/dbraw/zinc/70/79/32/1396707932.db2.gz ALKUYUDLDUPIQP-UHFFFAOYSA-N 1 2 336.779 2.837 10 5 EFBELO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC001466003845 1396730662 /nfs/dbraw/zinc/73/06/62/1396730662.db2.gz JNOUHEABHNHXTI-BDJLRTHQSA-N 1 2 346.362 2.962 10 5 EFBELO CN(CCCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1cccc[nH+]1 ZINC001471491584 1397177023 /nfs/dbraw/zinc/17/70/23/1397177023.db2.gz XFZNKEPSQDNFGA-DHZHZOJOSA-N 1 2 340.383 2.646 10 5 EFBELO O=C(CCCF)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccc([N+](=O)[O-])cc1 ZINC001499555896 1402681350 /nfs/dbraw/zinc/68/13/50/1402681350.db2.gz SKDAJWAFQTVOOI-CALCHBBNSA-N 1 2 349.406 2.910 10 5 EFBELO O=C(CCCF)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccc([N+](=O)[O-])cc1 ZINC001499555896 1402681355 /nfs/dbraw/zinc/68/13/55/1402681355.db2.gz SKDAJWAFQTVOOI-CALCHBBNSA-N 1 2 349.406 2.910 10 5 EFBELO Nc1ccc(NC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)cc1[N+](=O)[O-] ZINC001556894776 1415094002 /nfs/dbraw/zinc/09/40/02/1415094002.db2.gz UHTOHSSGMALJQC-NSHDSACASA-N 1 2 343.265 2.506 10 5 EFBELO CC(C)c1cc(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)n[nH]1 ZINC001557140690 1415107660 /nfs/dbraw/zinc/10/76/60/1415107660.db2.gz OOVVTSWFEYUOAG-UHFFFAOYSA-N 1 2 340.343 2.879 10 5 EFBELO CCc1ccncc1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001557361184 1415122312 /nfs/dbraw/zinc/12/23/12/1415122312.db2.gz DJPNLVBTGNEBFC-UHFFFAOYSA-N 1 2 337.339 2.990 10 5 EFBELO O=C(c1c(F)cccc1[N+](=O)[O-])N1CC[NH2+][C@H](c2ccc(F)cc2)C1 ZINC001558212621 1415166370 /nfs/dbraw/zinc/16/63/70/1415166370.db2.gz PGVYOBZAMOSNKU-AWEZNQCLSA-N 1 2 347.321 2.660 10 5 EFBELO CC(C)c1ccc(C(=O)NCc2coc(C[NH+](C)C)n2)cc1[N+](=O)[O-] ZINC001558567765 1415190100 /nfs/dbraw/zinc/19/01/00/1415190100.db2.gz UDWNHORZZOMLKW-UHFFFAOYSA-N 1 2 346.387 2.698 10 5 EFBELO CCc1[nH]c(CNc2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)c[nH+]1 ZINC001559289884 1415237201 /nfs/dbraw/zinc/23/72/01/1415237201.db2.gz AHLLOHRKUNUUQX-UHFFFAOYSA-N 1 2 338.371 2.680 10 5 EFBELO CCc1[nH]cc(CNc2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)[nH+]1 ZINC001559289884 1415237207 /nfs/dbraw/zinc/23/72/07/1415237207.db2.gz AHLLOHRKUNUUQX-UHFFFAOYSA-N 1 2 338.371 2.680 10 5 EFBELO C[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Br)C[C@H]1O ZINC001559706181 1415253526 /nfs/dbraw/zinc/25/35/26/1415253526.db2.gz KEUDWLYOLDLXQC-NOZJJQNGSA-N 1 2 329.194 2.560 10 5 EFBELO C[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Br)C[C@H]1O ZINC001559706181 1415253528 /nfs/dbraw/zinc/25/35/28/1415253528.db2.gz KEUDWLYOLDLXQC-NOZJJQNGSA-N 1 2 329.194 2.560 10 5 EFBELO C[N@@H+]1CCN(Cc2cc(O)ccc2[N+](=O)[O-])[C@@H](Cc2ccccc2)C1 ZINC001559967877 1415259738 /nfs/dbraw/zinc/25/97/38/1415259738.db2.gz NNBKVMZNUQRYAG-KRWDZBQOSA-N 1 2 341.411 2.659 10 5 EFBELO C[N@H+]1CCN(Cc2cc(O)ccc2[N+](=O)[O-])[C@@H](Cc2ccccc2)C1 ZINC001559967877 1415259743 /nfs/dbraw/zinc/25/97/43/1415259743.db2.gz NNBKVMZNUQRYAG-KRWDZBQOSA-N 1 2 341.411 2.659 10 5 EFBELO CC(C)CCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3csc([N+](=O)[O-])c3)C[C@H]21 ZINC001566968635 1415882327 /nfs/dbraw/zinc/88/23/27/1415882327.db2.gz ASYBZBRZWQXBMD-VIKVFOODSA-N 1 2 337.445 2.639 10 5 EFBELO CC(C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3csc([N+](=O)[O-])c3)C[C@H]21 ZINC001566968635 1415882336 /nfs/dbraw/zinc/88/23/36/1415882336.db2.gz ASYBZBRZWQXBMD-VIKVFOODSA-N 1 2 337.445 2.639 10 5 EFBELO C[C@@H](NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC001685148956 1416750907 /nfs/dbraw/zinc/75/09/07/1416750907.db2.gz MMDGFSOZDXSMAW-GFCCVEGCSA-N 1 2 343.387 2.968 10 5 EFBELO C[C@@H](NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC001685148956 1416750910 /nfs/dbraw/zinc/75/09/10/1416750910.db2.gz MMDGFSOZDXSMAW-GFCCVEGCSA-N 1 2 343.387 2.968 10 5 EFBELO C[C@@H]([NH2+]Cc1c(Br)cccc1[N+](=O)[O-])c1ccnn1C ZINC000931559649 716972783 /nfs/dbraw/zinc/97/27/83/716972783.db2.gz HPCBRPCBHRRIDV-SECBINFHSA-N 1 2 339.193 2.942 10 5 EFBELO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000728541250 724089402 /nfs/dbraw/zinc/08/94/02/724089402.db2.gz FSYHDVOYQJXLIA-LBPRGKRZSA-N 1 2 334.763 2.922 10 5 EFBELO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCCn3nncc3C2)o1 ZINC000895757092 724300002 /nfs/dbraw/zinc/30/00/02/724300002.db2.gz PUILIZOYFPGUTH-UHFFFAOYSA-N 1 2 339.355 2.852 10 5 EFBELO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCCn3nncc3C2)o1 ZINC000895757092 724300004 /nfs/dbraw/zinc/30/00/04/724300004.db2.gz PUILIZOYFPGUTH-UHFFFAOYSA-N 1 2 339.355 2.852 10 5 EFBELO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)c1ccccn1 ZINC001586923549 1092770497 /nfs/dbraw/zinc/77/04/97/1092770497.db2.gz NGWQDZKKSSPDOB-GFCCVEGCSA-N 1 2 337.339 2.667 10 5 EFBELO Cc1cccn2cc(CCNc3c(Cl)cncc3[N+](=O)[O-])[nH+]c12 ZINC001650813382 1093496536 /nfs/dbraw/zinc/49/65/36/1093496536.db2.gz CNFNVPFHIRUHGM-UHFFFAOYSA-N 1 2 331.763 2.676 10 5 EFBELO O=C(Cc1ccc(-n2cc[nH+]c2)cc1)NCc1ccccc1[N+](=O)[O-] ZINC001596291165 1094524475 /nfs/dbraw/zinc/52/44/75/1094524475.db2.gz QWYZTZGMFBINDE-UHFFFAOYSA-N 1 2 336.351 2.639 10 5 EFBELO COc1ccccc1Cc1cn(CCn2c(C)ncc2[N+](=O)[O-])c[nH+]1 ZINC001615063948 1099150894 /nfs/dbraw/zinc/15/08/94/1099150894.db2.gz GEMZGKNLKIFESR-UHFFFAOYSA-N 1 2 341.371 2.596 10 5 EFBELO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12)n1cc[nH+]c1 ZINC001618314212 1099289844 /nfs/dbraw/zinc/28/98/44/1099289844.db2.gz KZJZULNEEZWTOV-NSHDSACASA-N 1 2 325.328 2.929 10 5 EFBELO O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)c1ccc([N+](=O)[O-])cc1O ZINC001626345411 1099863507 /nfs/dbraw/zinc/86/35/07/1099863507.db2.gz OTOPHLYWZIAKJC-HNNXBMFYSA-N 1 2 347.415 2.827 10 5 EFBELO O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)c1ccc([N+](=O)[O-])cc1O ZINC001626345411 1099863518 /nfs/dbraw/zinc/86/35/18/1099863518.db2.gz OTOPHLYWZIAKJC-HNNXBMFYSA-N 1 2 347.415 2.827 10 5 EFBELO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC001627048044 1099951567 /nfs/dbraw/zinc/95/15/67/1099951567.db2.gz NFNHTNDHRNYZST-GFCCVEGCSA-N 1 2 332.335 2.716 10 5 EFBELO CNc1ccc([N+](=O)[O-])cc1NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001630890463 1100352014 /nfs/dbraw/zinc/35/20/14/1100352014.db2.gz IJXQSNBDUDODEA-UHFFFAOYSA-N 1 2 325.328 2.845 10 5 EFBELO Cc1cc(C)c(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)c(C)[nH+]1 ZINC001634186956 1100589282 /nfs/dbraw/zinc/58/92/82/1100589282.db2.gz KQFKXMNVDKYILK-UHFFFAOYSA-N 1 2 339.355 2.721 10 5 EFBELO Nc1c(Cl)cc(C(=O)Nc2ccn3cc[nH+]c3c2)cc1[N+](=O)[O-] ZINC001634730916 1100627332 /nfs/dbraw/zinc/62/73/32/1100627332.db2.gz OXJGRJOSLDULQU-UHFFFAOYSA-N 1 2 331.719 2.730 10 5 EFBELO Cc1[nH]c(CNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)[nH+]c1C ZINC001635375886 1100657595 /nfs/dbraw/zinc/65/75/95/1100657595.db2.gz SNUWDOYHURNFFZ-UHFFFAOYSA-N 1 2 328.372 2.673 10 5 EFBELO CSc1ccc([N+](=O)[O-])cc1C(=O)NCc1[nH]c2c([nH+]1)CCCC2 ZINC001639300302 1100936187 /nfs/dbraw/zinc/93/61/87/1100936187.db2.gz IJQWDCNKXZPDLN-UHFFFAOYSA-N 1 2 346.412 2.849 10 5 EFBELO CC(C)c1[nH]cc(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)[nH+]1 ZINC001639427566 1100947669 /nfs/dbraw/zinc/94/76/69/1100947669.db2.gz JXTJVRUOMIZNOL-UHFFFAOYSA-N 1 2 327.344 2.853 10 5 EFBELO CC(C)c1[nH]c(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c[nH+]1 ZINC001639427566 1100947675 /nfs/dbraw/zinc/94/76/75/1100947675.db2.gz JXTJVRUOMIZNOL-UHFFFAOYSA-N 1 2 327.344 2.853 10 5 EFBELO O=[N+]([O-])c1cnc2ccc(F)cc2c1NCc1ccn2cc[nH+]c2c1 ZINC001639630713 1100969001 /nfs/dbraw/zinc/96/90/01/1100969001.db2.gz KVGHSVDZCKTILA-UHFFFAOYSA-N 1 2 337.314 2.964 10 5 EFBELO Nc1c(Cl)cc(C(=O)Nc2ccc3[nH+]ccn3c2)cc1[N+](=O)[O-] ZINC001642039351 1101184097 /nfs/dbraw/zinc/18/40/97/1101184097.db2.gz XCSPSAWZNLHAMW-UHFFFAOYSA-N 1 2 331.719 2.730 10 5 EFBELO Cn1c[nH+]c(CCNc2c3cc(Cl)ccc3ncc2[N+](=O)[O-])c1 ZINC001642771541 1101239795 /nfs/dbraw/zinc/23/97/95/1101239795.db2.gz SRISXDGXVQYZQI-UHFFFAOYSA-N 1 2 331.763 2.606 10 5 EFBELO Nc1[nH+]ccc2c1CN(C(=O)c1cc3cc([N+](=O)[O-])ccc3o1)CC2 ZINC001643139071 1101274189 /nfs/dbraw/zinc/27/41/89/1101274189.db2.gz ZLXIIRGLMCQPJP-UHFFFAOYSA-N 1 2 338.323 2.517 10 5 EFBELO C[C@H]1C[N@H+](CCNc2cccc(C(F)(F)F)c2[N+](=O)[O-])CCO1 ZINC001651467876 1101333832 /nfs/dbraw/zinc/33/38/32/1101333832.db2.gz QNDJMUXMSLMNPI-JTQLQIEISA-N 1 2 333.310 2.746 10 5 EFBELO C[C@H]1C[N@@H+](CCNc2cccc(C(F)(F)F)c2[N+](=O)[O-])CCO1 ZINC001651467876 1101333848 /nfs/dbraw/zinc/33/38/48/1101333848.db2.gz QNDJMUXMSLMNPI-JTQLQIEISA-N 1 2 333.310 2.746 10 5 EFBELO CC(C)c1[nH]cc(CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)[nH+]1 ZINC001652743772 1101539995 /nfs/dbraw/zinc/53/99/95/1101539995.db2.gz VYWDVYBXSGJPPZ-UHFFFAOYSA-N 1 2 341.371 2.782 10 5 EFBELO CC(C)c1[nH]c(CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)c[nH+]1 ZINC001652743772 1101540004 /nfs/dbraw/zinc/54/00/04/1101540004.db2.gz VYWDVYBXSGJPPZ-UHFFFAOYSA-N 1 2 341.371 2.782 10 5 EFBELO C[C@H]1CC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C[C@H]1O ZINC001653119432 1101588725 /nfs/dbraw/zinc/58/87/25/1101588725.db2.gz NYFNASMPHIBFJS-TVQRCGJNSA-N 1 2 329.194 2.560 10 5 EFBELO C[C@H]1CC[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])C[C@H]1O ZINC001653119432 1101588738 /nfs/dbraw/zinc/58/87/38/1101588738.db2.gz NYFNASMPHIBFJS-TVQRCGJNSA-N 1 2 329.194 2.560 10 5 EFBELO Cc1c(C[NH+]2CCN(Cc3ccc(O)cc3)CC2)cccc1[N+](=O)[O-] ZINC001655383742 1101818398 /nfs/dbraw/zinc/81/83/98/1101818398.db2.gz CLJLKDDPYPGSOF-UHFFFAOYSA-N 1 2 341.411 2.927 10 5 EFBELO Cc1c(C[N@@H+]2CCc3nc(N(C)C)sc3C2)cccc1[N+](=O)[O-] ZINC001655483544 1101832774 /nfs/dbraw/zinc/83/27/74/1101832774.db2.gz XYEUNUYGWAWHER-UHFFFAOYSA-N 1 2 332.429 2.984 10 5 EFBELO Cc1c(C[N@H+]2CCc3nc(N(C)C)sc3C2)cccc1[N+](=O)[O-] ZINC001655483544 1101832789 /nfs/dbraw/zinc/83/27/89/1101832789.db2.gz XYEUNUYGWAWHER-UHFFFAOYSA-N 1 2 332.429 2.984 10 5 EFBELO O=C(C[N@@H+]1CCCC[C@H]1[C@H]1CCCO1)Nc1ccccc1[N+](=O)[O-] ZINC001656506321 1102109528 /nfs/dbraw/zinc/10/95/28/1102109528.db2.gz MJONUYGBNVZFCT-JKSUJKDBSA-N 1 2 333.388 2.567 10 5 EFBELO O=C(C[N@H+]1CCCC[C@H]1[C@H]1CCCO1)Nc1ccccc1[N+](=O)[O-] ZINC001656506321 1102109534 /nfs/dbraw/zinc/10/95/34/1102109534.db2.gz MJONUYGBNVZFCT-JKSUJKDBSA-N 1 2 333.388 2.567 10 5 EFBELO O=C(C[N@@H+]1CCCC[C@H]1[C@@H]1CCCO1)Nc1ccccc1[N+](=O)[O-] ZINC001656506319 1102109960 /nfs/dbraw/zinc/10/99/60/1102109960.db2.gz MJONUYGBNVZFCT-HOTGVXAUSA-N 1 2 333.388 2.567 10 5 EFBELO O=C(C[N@H+]1CCCC[C@H]1[C@@H]1CCCO1)Nc1ccccc1[N+](=O)[O-] ZINC001656506319 1102109970 /nfs/dbraw/zinc/10/99/70/1102109970.db2.gz MJONUYGBNVZFCT-HOTGVXAUSA-N 1 2 333.388 2.567 10 5 EFBELO Cc1nc(C2([NH2+]CCn3c(C)ncc3[N+](=O)[O-])CCCCCC2)no1 ZINC001168069367 1102350927 /nfs/dbraw/zinc/35/09/27/1102350927.db2.gz VHFBNDZQIMBVRH-UHFFFAOYSA-N 1 2 348.407 2.630 10 5 EFBELO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(c2ncco2)CC1 ZINC001659716626 1102559352 /nfs/dbraw/zinc/55/93/52/1102559352.db2.gz NDEVUAAVZAMQNX-GFCCVEGCSA-N 1 2 344.371 2.789 10 5 EFBELO CC[N@H+](CCNC(=O)CC(C)(F)F)Cc1csc([N+](=O)[O-])c1 ZINC001663422104 1104090684 /nfs/dbraw/zinc/09/06/84/1104090684.db2.gz CKPAKLFCHUYVSI-UHFFFAOYSA-N 1 2 335.376 2.640 10 5 EFBELO CC[N@@H+](CCNC(=O)CC(C)(F)F)Cc1csc([N+](=O)[O-])c1 ZINC001663422104 1104090694 /nfs/dbraw/zinc/09/06/94/1104090694.db2.gz CKPAKLFCHUYVSI-UHFFFAOYSA-N 1 2 335.376 2.640 10 5 EFBELO Cc1cc(Cl)c(C(=O)N[C@H]2CCC[N@H+](CCF)C2)cc1[N+](=O)[O-] ZINC000898505587 1108981601 /nfs/dbraw/zinc/98/16/01/1108981601.db2.gz ZCXQIFWLFYQLIC-NSHDSACASA-N 1 2 343.786 2.720 10 5 EFBELO Cc1cc(Cl)c(C(=O)N[C@H]2CCC[N@@H+](CCF)C2)cc1[N+](=O)[O-] ZINC000898505587 1108981607 /nfs/dbraw/zinc/98/16/07/1108981607.db2.gz ZCXQIFWLFYQLIC-NSHDSACASA-N 1 2 343.786 2.720 10 5 EFBELO CSc1ccc(C(=O)NCC(C)(C)n2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000898893375 1109125509 /nfs/dbraw/zinc/12/55/09/1109125509.db2.gz IPIHWLHLJQCMHL-UHFFFAOYSA-N 1 2 334.401 2.678 10 5 EFBELO CC[C@@H](NC(=O)N(C)CCCn1cc[nH+]c1)c1cccc([N+](=O)[O-])c1 ZINC000153831053 529605237 /nfs/dbraw/zinc/60/52/37/529605237.db2.gz KPABFKJJDVQGPD-MRXNPFEDSA-N 1 2 345.403 2.974 10 5 EFBELO Cn1cc(C[N@H+](C)Cc2cccc([N+](=O)[O-])c2)c(C(F)(F)F)n1 ZINC000155285457 530014538 /nfs/dbraw/zinc/01/45/38/530014538.db2.gz ZWKWJBCAPRJSON-UHFFFAOYSA-N 1 2 328.294 2.979 10 5 EFBELO Cn1cc(C[N@@H+](C)Cc2cccc([N+](=O)[O-])c2)c(C(F)(F)F)n1 ZINC000155285457 530014540 /nfs/dbraw/zinc/01/45/40/530014540.db2.gz ZWKWJBCAPRJSON-UHFFFAOYSA-N 1 2 328.294 2.979 10 5 EFBELO CN(C)c1[nH+]cccc1N(C)C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000413584296 243743037 /nfs/dbraw/zinc/74/30/37/243743037.db2.gz IOMZTQZUPICACH-LSDHHAIUSA-N 1 2 340.383 2.822 10 5 EFBELO C[C@H](O)[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCO1 ZINC000414596941 244249897 /nfs/dbraw/zinc/24/98/97/244249897.db2.gz VRDGBGXNXMAZMZ-LRDDRELGSA-N 1 2 348.424 2.905 10 5 EFBELO C[C@H](O)[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCO1 ZINC000414596941 244249903 /nfs/dbraw/zinc/24/99/03/244249903.db2.gz VRDGBGXNXMAZMZ-LRDDRELGSA-N 1 2 348.424 2.905 10 5 EFBELO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CC(CO)(c2ccccc2)C1 ZINC000414551592 244227172 /nfs/dbraw/zinc/22/71/72/244227172.db2.gz PPKJHXZTWLIWAH-UHFFFAOYSA-N 1 2 342.395 2.739 10 5 EFBELO O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CC[NH+](C2CC2)CC1 ZINC000266241542 296206441 /nfs/dbraw/zinc/20/64/41/296206441.db2.gz FLIODKAEWVUTPE-UHFFFAOYSA-N 1 2 343.305 2.534 10 5 EFBELO C[C@]([NH2+]Cc1csc([N+](=O)[O-])c1)(C(N)=O)c1cccc(Cl)c1 ZINC000426803753 247301392 /nfs/dbraw/zinc/30/13/92/247301392.db2.gz PAVGBIFHGDJIEH-CQSZACIVSA-N 1 2 339.804 2.800 10 5 EFBELO COc1ccc(CNc2ccc(N3CCCC3)c[nH+]2)cc1[N+](=O)[O-] ZINC000427554047 247363969 /nfs/dbraw/zinc/36/39/69/247363969.db2.gz FAUHJKDONCIBRS-UHFFFAOYSA-N 1 2 328.372 2.633 10 5 EFBELO Cc1nc2[nH]ccc2c(N2CCN(c3cccc([N+](=O)[O-])c3)CC2)[nH+]1 ZINC000433798706 248090042 /nfs/dbraw/zinc/09/00/42/248090042.db2.gz KGZDDQXEFQESCV-UHFFFAOYSA-N 1 2 338.371 2.501 10 5 EFBELO Cc1c(NC(=O)C[N@@H+]2CCc3sccc3C2)cccc1[N+](=O)[O-] ZINC000010341214 211167486 /nfs/dbraw/zinc/16/74/86/211167486.db2.gz WFWMIRSZEWWBIU-UHFFFAOYSA-N 1 2 331.397 2.962 10 5 EFBELO Cc1c(NC(=O)C[N@H+]2CCc3sccc3C2)cccc1[N+](=O)[O-] ZINC000010341214 211167488 /nfs/dbraw/zinc/16/74/88/211167488.db2.gz WFWMIRSZEWWBIU-UHFFFAOYSA-N 1 2 331.397 2.962 10 5 EFBELO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000449426117 251021892 /nfs/dbraw/zinc/02/18/92/251021892.db2.gz QTSLVJCBDDUPNH-WMZOPIPTSA-N 1 2 346.358 2.600 10 5 EFBELO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000449426117 251021898 /nfs/dbraw/zinc/02/18/98/251021898.db2.gz QTSLVJCBDDUPNH-WMZOPIPTSA-N 1 2 346.358 2.600 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1nn(C)cc1Br ZINC000449482618 251041354 /nfs/dbraw/zinc/04/13/54/251041354.db2.gz CLTSYMPZLLDPFC-UHFFFAOYSA-N 1 2 339.193 2.689 10 5 EFBELO O=[N+]([O-])c1ccc(C[N@H+]2CCOC[C@@H]2C[C@@H](O)c2ccco2)cc1 ZINC000268622310 252075544 /nfs/dbraw/zinc/07/55/44/252075544.db2.gz BTAFHQKHJYCIEX-JKSUJKDBSA-N 1 2 332.356 2.512 10 5 EFBELO O=[N+]([O-])c1ccc(C[N@@H+]2CCOC[C@@H]2C[C@@H](O)c2ccco2)cc1 ZINC000268622310 252075547 /nfs/dbraw/zinc/07/55/47/252075547.db2.gz BTAFHQKHJYCIEX-JKSUJKDBSA-N 1 2 332.356 2.512 10 5 EFBELO O=[N+]([O-])c1cnccc1N1CCc2c([nH+]cn2-c2ccc(F)cc2)C1 ZINC000358256859 285188502 /nfs/dbraw/zinc/18/85/02/285188502.db2.gz CJRZRIIRFGUEJK-UHFFFAOYSA-N 1 2 339.330 2.877 10 5 EFBELO O=[N+]([O-])c1cc(CN2CCC[C@@H]2C[NH+]2CCOCC2)ccc1Cl ZINC000154053883 224196417 /nfs/dbraw/zinc/19/64/17/224196417.db2.gz AAVNEPSDZOHISQ-CQSZACIVSA-N 1 2 339.823 2.545 10 5 EFBELO O=C(C[N@@H+]1CCC[C@H](c2nccs2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000195355829 141379839 /nfs/dbraw/zinc/37/98/39/141379839.db2.gz AHCMIHLWMUHFMU-LBPRGKRZSA-N 1 2 346.412 2.869 10 5 EFBELO O=C(C[N@H+]1CCC[C@H](c2nccs2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000195355829 141379841 /nfs/dbraw/zinc/37/98/41/141379841.db2.gz AHCMIHLWMUHFMU-LBPRGKRZSA-N 1 2 346.412 2.869 10 5 EFBELO C[C@@H]1CN(c2ccc(Nc3ccc([N+](=O)[O-])nc3)c[nH+]2)C[C@H](C)O1 ZINC000344440995 142017175 /nfs/dbraw/zinc/01/71/75/142017175.db2.gz PKSYFLYSNZKEFS-TXEJJXNPSA-N 1 2 329.360 2.742 10 5 EFBELO Cc1ccc([C@H](CNC(=O)c2cc(O)ccc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000346293738 142184607 /nfs/dbraw/zinc/18/46/07/142184607.db2.gz YECVJRWLYYIMMH-KRWDZBQOSA-N 1 2 343.383 2.642 10 5 EFBELO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000342392066 145115936 /nfs/dbraw/zinc/11/59/36/145115936.db2.gz IFLLAXUEQBOHDR-GFCCVEGCSA-N 1 2 346.362 2.581 10 5 EFBELO O=[N+]([O-])c1ccc(N2CCc3c([nH+]cn3CCc3ccccc3)C2)cn1 ZINC000343571456 145241307 /nfs/dbraw/zinc/24/13/07/145241307.db2.gz IZIFGBQOUIHMQP-UHFFFAOYSA-N 1 2 349.394 2.992 10 5 EFBELO COC(=O)c1cc(C(C)(C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)no1 ZINC000352027331 146268775 /nfs/dbraw/zinc/26/87/75/146268775.db2.gz KGFRIFCUVBYFQK-UHFFFAOYSA-N 1 2 333.344 2.703 10 5 EFBELO O=[N+]([O-])c1cccc(-c2noc(C[NH2+][C@H](CO)c3ccsc3)n2)c1 ZINC000352033275 146271715 /nfs/dbraw/zinc/27/17/15/146271715.db2.gz RUGDQFDUPUINJH-CYBMUJFWSA-N 1 2 346.368 2.530 10 5 EFBELO CC(=O)Nc1cccc(C[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)c1 ZINC000352996267 146369702 /nfs/dbraw/zinc/36/97/02/146369702.db2.gz FPTFGUFLNRFVHO-UHFFFAOYSA-N 1 2 326.356 2.507 10 5 EFBELO CC(=O)Nc1cccc(C[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)c1 ZINC000352996267 146369704 /nfs/dbraw/zinc/36/97/04/146369704.db2.gz FPTFGUFLNRFVHO-UHFFFAOYSA-N 1 2 326.356 2.507 10 5 EFBELO COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccn3cc[nH+]c3c2)c1 ZINC000360115638 148275829 /nfs/dbraw/zinc/27/58/29/148275829.db2.gz CYIUOMYEXDJVQR-UHFFFAOYSA-N 1 2 326.312 2.641 10 5 EFBELO Cc1cn2c([nH+]1)CN(Cc1coc(-c3ccc([N+](=O)[O-])cc3)n1)CC2 ZINC000363714499 149003790 /nfs/dbraw/zinc/00/37/90/149003790.db2.gz QFOQUABQNZEVGB-UHFFFAOYSA-N 1 2 339.355 2.771 10 5 EFBELO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCO[C@H](C4CC4)C3)co2)cc1 ZINC000363777026 149010820 /nfs/dbraw/zinc/01/08/20/149010820.db2.gz VGIDNGQILFHUJL-INIZCTEOSA-N 1 2 329.356 2.861 10 5 EFBELO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCO[C@H](C4CC4)C3)co2)cc1 ZINC000363777026 149010822 /nfs/dbraw/zinc/01/08/22/149010822.db2.gz VGIDNGQILFHUJL-INIZCTEOSA-N 1 2 329.356 2.861 10 5 EFBELO CC(=O)c1cc(NCc2ccnc(-n3cc[nH+]c3)c2)ccc1[N+](=O)[O-] ZINC000368677271 150179287 /nfs/dbraw/zinc/17/92/87/150179287.db2.gz XPNZZNVYVDVQGX-UHFFFAOYSA-N 1 2 337.339 2.990 10 5 EFBELO Cc1cn2c([nH+]1)CN(C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)CC2 ZINC000373317670 151152018 /nfs/dbraw/zinc/15/20/18/151152018.db2.gz KCGZTWMTDNJQNT-UHFFFAOYSA-N 1 2 329.360 2.764 10 5 EFBELO NC(=O)c1ccc(C[N@@H+]2CC[C@](F)(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000374522306 151361988 /nfs/dbraw/zinc/36/19/88/151361988.db2.gz SHYHIZCNWGQOQO-GOSISDBHSA-N 1 2 343.358 2.764 10 5 EFBELO NC(=O)c1ccc(C[N@H+]2CC[C@](F)(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000374522306 151361990 /nfs/dbraw/zinc/36/19/90/151361990.db2.gz SHYHIZCNWGQOQO-GOSISDBHSA-N 1 2 343.358 2.764 10 5 EFBELO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339009774 287181102 /nfs/dbraw/zinc/18/11/02/287181102.db2.gz JHGHLTVLESNPIM-CABCVRRESA-N 1 2 335.404 2.522 10 5 EFBELO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339009774 287181103 /nfs/dbraw/zinc/18/11/03/287181103.db2.gz JHGHLTVLESNPIM-CABCVRRESA-N 1 2 335.404 2.522 10 5 EFBELO CCC1(CC)C[N@H+](CCOc2ccccc2[N+](=O)[O-])CC[S@]1=O ZINC000185229399 265038925 /nfs/dbraw/zinc/03/89/25/265038925.db2.gz AOMBQTKHGZCZOD-HSZRJFAPSA-N 1 2 340.445 2.597 10 5 EFBELO CCC1(CC)C[N@@H+](CCOc2ccccc2[N+](=O)[O-])CC[S@]1=O ZINC000185229399 265038926 /nfs/dbraw/zinc/03/89/26/265038926.db2.gz AOMBQTKHGZCZOD-HSZRJFAPSA-N 1 2 340.445 2.597 10 5 EFBELO NC(=O)c1coc(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 ZINC000189405779 265186809 /nfs/dbraw/zinc/18/68/09/265186809.db2.gz AEOIWSUYNBSGLC-UHFFFAOYSA-N 1 2 341.323 2.837 10 5 EFBELO Cc1nc(F)ccc1C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000278413872 267433164 /nfs/dbraw/zinc/43/31/64/267433164.db2.gz HNZWIYXHGGCZLP-UHFFFAOYSA-N 1 2 330.363 2.760 10 5 EFBELO CN(C)c1ccc(Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)c[nH+]1 ZINC000263672792 273076380 /nfs/dbraw/zinc/07/63/80/273076380.db2.gz GOSVROPHDIJTQS-UHFFFAOYSA-N 1 2 327.344 2.684 10 5 EFBELO C[NH+](C)[C@@H](CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)c1ccco1 ZINC000280669652 273353645 /nfs/dbraw/zinc/35/36/45/273353645.db2.gz CJDXAXNIYVTJCS-ZDUSSCGKSA-N 1 2 343.343 2.551 10 5 EFBELO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000280844695 273373016 /nfs/dbraw/zinc/37/30/16/273373016.db2.gz VILCBTLEVTVPOP-CYBMUJFWSA-N 1 2 349.431 2.931 10 5 EFBELO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000280844695 273373017 /nfs/dbraw/zinc/37/30/17/273373017.db2.gz VILCBTLEVTVPOP-CYBMUJFWSA-N 1 2 349.431 2.931 10 5 EFBELO Cn1nccc1C1=CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000285769899 274071184 /nfs/dbraw/zinc/07/11/84/274071184.db2.gz XVCANDSOOASGCV-UHFFFAOYSA-N 1 2 343.343 2.526 10 5 EFBELO Cn1nccc1C1=CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000285769899 274071185 /nfs/dbraw/zinc/07/11/85/274071185.db2.gz XVCANDSOOASGCV-UHFFFAOYSA-N 1 2 343.343 2.526 10 5 EFBELO COC(=O)c1cc(C)nc(NCCCc2cccc(C)[nH+]2)c1[N+](=O)[O-] ZINC000286375388 274188093 /nfs/dbraw/zinc/18/80/93/274188093.db2.gz FJLCCLNXTSXWQL-UHFFFAOYSA-N 1 2 344.371 2.833 10 5 EFBELO COc1cc(C[N@H+](C)Cc2cnccc2C)c([N+](=O)[O-])cc1OC ZINC000355613061 277376190 /nfs/dbraw/zinc/37/61/90/277376190.db2.gz XYIVZKJOGDPLQX-UHFFFAOYSA-N 1 2 331.372 2.947 10 5 EFBELO COc1cc(C[N@@H+](C)Cc2cnccc2C)c([N+](=O)[O-])cc1OC ZINC000355613061 277376191 /nfs/dbraw/zinc/37/61/91/277376191.db2.gz XYIVZKJOGDPLQX-UHFFFAOYSA-N 1 2 331.372 2.947 10 5 EFBELO COC(=O)[C@H]1CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000191808787 277395257 /nfs/dbraw/zinc/39/52/57/277395257.db2.gz HTQJZOSQJUKOIR-GWCFXTLKSA-N 1 2 326.780 2.879 10 5 EFBELO COC(=O)[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000191808787 277395258 /nfs/dbraw/zinc/39/52/58/277395258.db2.gz HTQJZOSQJUKOIR-GWCFXTLKSA-N 1 2 326.780 2.879 10 5 EFBELO CC(C)n1cnnc1[C@@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000339040238 278141378 /nfs/dbraw/zinc/14/13/78/278141378.db2.gz DQRCIGBAZCQQHG-CYBMUJFWSA-N 1 2 345.403 2.852 10 5 EFBELO CC(C)n1cnnc1[C@@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000339040238 278141381 /nfs/dbraw/zinc/14/13/81/278141381.db2.gz DQRCIGBAZCQQHG-CYBMUJFWSA-N 1 2 345.403 2.852 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000125381873 280658469 /nfs/dbraw/zinc/65/84/69/280658469.db2.gz XQSFWJMCSAYSRF-MLGOLLRUSA-N 1 2 328.372 2.823 10 5 EFBELO Cc1cccc(NC(=O)C[N@@H+](C)[C@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC000095405123 281236246 /nfs/dbraw/zinc/23/62/46/281236246.db2.gz PCFYPCIWCJOSHW-CYBMUJFWSA-N 1 2 328.372 2.930 10 5 EFBELO Cc1cccc(NC(=O)C[N@H+](C)[C@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC000095405123 281236247 /nfs/dbraw/zinc/23/62/47/281236247.db2.gz PCFYPCIWCJOSHW-CYBMUJFWSA-N 1 2 328.372 2.930 10 5 EFBELO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCc1ccc[nH+]c1N(C)C ZINC000127821270 293082168 /nfs/dbraw/zinc/08/21/68/293082168.db2.gz ADWGHUHELBUKLC-UHFFFAOYSA-N 1 2 343.387 2.994 10 5 EFBELO CNC(=O)c1cccc(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000153020691 293357262 /nfs/dbraw/zinc/35/72/62/293357262.db2.gz VSUYMYCQXUCGAL-UHFFFAOYSA-N 1 2 325.368 2.513 10 5 EFBELO CNC(=O)c1cccc(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000153020691 293357264 /nfs/dbraw/zinc/35/72/64/293357264.db2.gz VSUYMYCQXUCGAL-UHFFFAOYSA-N 1 2 325.368 2.513 10 5 EFBELO CC(C)CN(C(=O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)C1CC1 ZINC000153122769 293361564 /nfs/dbraw/zinc/36/15/64/293361564.db2.gz FPCDOKFWLJXPEG-UHFFFAOYSA-N 1 2 331.416 2.600 10 5 EFBELO CC(C)CN(C(=O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)C1CC1 ZINC000153122769 293361565 /nfs/dbraw/zinc/36/15/65/293361565.db2.gz FPCDOKFWLJXPEG-UHFFFAOYSA-N 1 2 331.416 2.600 10 5 EFBELO O=C(C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)N(C1CC1)C1CCCC1 ZINC000153173458 293363770 /nfs/dbraw/zinc/36/37/70/293363770.db2.gz AVJDRERGVCXMJP-UHFFFAOYSA-N 1 2 343.427 2.887 10 5 EFBELO O=C(C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)N(C1CC1)C1CCCC1 ZINC000153173458 293363771 /nfs/dbraw/zinc/36/37/71/293363771.db2.gz AVJDRERGVCXMJP-UHFFFAOYSA-N 1 2 343.427 2.887 10 5 EFBELO C[C@H]1CCC[C@H](C)N1C(=O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153249593 293367630 /nfs/dbraw/zinc/36/76/30/293367630.db2.gz DUUCRHPDYRYFLE-KBPBESRZSA-N 1 2 331.416 2.742 10 5 EFBELO C[C@H]1CCC[C@H](C)N1C(=O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153249593 293367631 /nfs/dbraw/zinc/36/76/31/293367631.db2.gz DUUCRHPDYRYFLE-KBPBESRZSA-N 1 2 331.416 2.742 10 5 EFBELO CC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)CCN1CC(F)F ZINC000153530437 293380505 /nfs/dbraw/zinc/38/05/05/293380505.db2.gz RYYUQYKRJRZWEU-LBPRGKRZSA-N 1 2 331.338 2.895 10 5 EFBELO CC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)CCN1CC(F)F ZINC000153530437 293380507 /nfs/dbraw/zinc/38/05/07/293380507.db2.gz RYYUQYKRJRZWEU-LBPRGKRZSA-N 1 2 331.338 2.895 10 5 EFBELO CC[C@H]([NH2+][C@H](C)c1nc(N)nc(Cl)n1)c1cccc([N+](=O)[O-])c1 ZINC000294899491 295242919 /nfs/dbraw/zinc/24/29/19/295242919.db2.gz DSWZQZLNNWARKY-KCJUWKMLSA-N 1 2 336.783 2.817 10 5 EFBELO CCn1cc[nH+]c1CNc1c(Br)cncc1[N+](=O)[O-] ZINC000294974307 295253022 /nfs/dbraw/zinc/25/30/22/295253022.db2.gz LIODQPUEOFWZOM-UHFFFAOYSA-N 1 2 326.154 2.581 10 5 EFBELO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NCc1[nH+]ccn1CC ZINC000294978670 295253306 /nfs/dbraw/zinc/25/33/06/295253306.db2.gz LTNVESZSUFLIGJ-UHFFFAOYSA-N 1 2 336.323 2.739 10 5 EFBELO CNc1ccc(Nc2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])c[nH+]1 ZINC000301116272 311120048 /nfs/dbraw/zinc/12/00/48/311120048.db2.gz PRMLYYBSJQEIIT-XBXARRHUSA-N 1 2 328.328 2.961 10 5 EFBELO CS[C@@H](CO)[C@@H](C)Nc1cc(C)[nH+]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301359032 311133489 /nfs/dbraw/zinc/13/34/89/311133489.db2.gz LMPBAWRYFQIEAR-RISCZKNCSA-N 1 2 348.428 2.885 10 5 EFBELO Cc1cc(N2CC[NH+](Cc3ccc(Cl)cn3)CC2)ncc1[N+](=O)[O-] ZINC000302119936 311178796 /nfs/dbraw/zinc/17/87/96/311178796.db2.gz DDYUCKZZQHJZES-UHFFFAOYSA-N 1 2 347.806 2.669 10 5 EFBELO Cc1cc(N2CCN(c3cc[nH+]c(C)n3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000302155532 311181350 /nfs/dbraw/zinc/18/13/50/311181350.db2.gz MNIAPLNVVFSMSW-UHFFFAOYSA-N 1 2 347.806 2.982 10 5 EFBELO O=[N+]([O-])c1cnc(N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)nc1 ZINC000302160855 311181465 /nfs/dbraw/zinc/18/14/65/311181465.db2.gz PDQCFUQTKNNQMO-LLVKDONJSA-N 1 2 349.341 2.740 10 5 EFBELO O=[N+]([O-])c1cnc(N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)nc1 ZINC000302160855 311181467 /nfs/dbraw/zinc/18/14/67/311181467.db2.gz PDQCFUQTKNNQMO-LLVKDONJSA-N 1 2 349.341 2.740 10 5 EFBELO C[C@H]1CN(c2ccc(CNc3cc(F)ccc3[N+](=O)[O-])c[nH+]2)CCO1 ZINC000302825342 311203243 /nfs/dbraw/zinc/20/32/43/311203243.db2.gz YSXCAWZJJUHMCV-LBPRGKRZSA-N 1 2 346.362 2.966 10 5 EFBELO CC[C@H]1[C@@H](CO)CCN1c1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000450653011 312730981 /nfs/dbraw/zinc/73/09/81/312730981.db2.gz GFJZDTVFSFSSCH-ZBFHGGJFSA-N 1 2 342.399 2.957 10 5 EFBELO C[C@@](CO)([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(O)c1 ZINC000451029163 312800709 /nfs/dbraw/zinc/80/07/09/312800709.db2.gz FVBHEOSAQFFUSX-INIZCTEOSA-N 1 2 336.775 2.951 10 5 EFBELO CCc1ccc([C@H]([NH2+][C@@H](CC)C(=O)NC)c2ccc([N+](=O)[O-])cc2)o1 ZINC000453394408 312897511 /nfs/dbraw/zinc/89/75/11/312897511.db2.gz GBFTZAHVHRSLCW-DOTOQJQBSA-N 1 2 345.399 2.954 10 5 EFBELO O=[N+]([O-])c1ccc(CC[N@@H+]2CCO[C@@H](COc3ccccc3)C2)cc1 ZINC000484546346 313320600 /nfs/dbraw/zinc/32/06/00/313320600.db2.gz ONJGCRYQRJUZOJ-LJQANCHMSA-N 1 2 342.395 2.917 10 5 EFBELO O=[N+]([O-])c1ccc(CC[N@H+]2CCO[C@@H](COc3ccccc3)C2)cc1 ZINC000484546346 313320603 /nfs/dbraw/zinc/32/06/03/313320603.db2.gz ONJGCRYQRJUZOJ-LJQANCHMSA-N 1 2 342.395 2.917 10 5 EFBELO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCc1cccc([N+](=O)[O-])c1)C2 ZINC000527248486 316356117 /nfs/dbraw/zinc/35/61/17/316356117.db2.gz BEPGYXYGKZJVSO-CYBMUJFWSA-N 1 2 342.399 2.863 10 5 EFBELO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCc1cccc([N+](=O)[O-])c1)CC2 ZINC000527248486 316356120 /nfs/dbraw/zinc/35/61/20/316356120.db2.gz BEPGYXYGKZJVSO-CYBMUJFWSA-N 1 2 342.399 2.863 10 5 EFBELO COc1cc[nH+]c(CN2CCc3c(cccc3[N+](=O)[O-])C2)c1OC ZINC000530389471 317118400 /nfs/dbraw/zinc/11/84/00/317118400.db2.gz XJVVRLVPDVFZTA-UHFFFAOYSA-N 1 2 329.356 2.565 10 5 EFBELO COc1c(C)c[nH+]c(Cn2c(=O)c([N+](=O)[O-])cc3c2CCCC3)c1C ZINC000567851684 319217771 /nfs/dbraw/zinc/21/77/71/319217771.db2.gz XEVIISLMZWNPJR-UHFFFAOYSA-N 1 2 343.383 2.704 10 5 EFBELO Cc1nsc(C)c1C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000569429686 319378686 /nfs/dbraw/zinc/37/86/86/319378686.db2.gz DKBMMRNIALCKHV-UHFFFAOYSA-N 1 2 332.429 2.990 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(CC(F)(F)C(F)F)CC1 ZINC000183348715 323330559 /nfs/dbraw/zinc/33/05/59/323330559.db2.gz DNIZFMIZQBZGNR-UHFFFAOYSA-N 1 2 349.328 2.921 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCN(CC(F)(F)F)[C@H](C)C1 ZINC000183399184 323333500 /nfs/dbraw/zinc/33/35/00/323333500.db2.gz XDRDLFFEQYSSOF-GFCCVEGCSA-N 1 2 331.338 2.972 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCN(CC(F)(F)F)[C@H](C)C1 ZINC000183399184 323333502 /nfs/dbraw/zinc/33/35/02/323333502.db2.gz XDRDLFFEQYSSOF-GFCCVEGCSA-N 1 2 331.338 2.972 10 5 EFBELO C[C@H](C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)[N@@H+]1CCc2ccccc2C1 ZINC000183912732 323350415 /nfs/dbraw/zinc/35/04/15/323350415.db2.gz VAEZVRAYDHSUKX-GFCCVEGCSA-N 1 2 341.367 2.686 10 5 EFBELO C[C@H](C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)[N@H+]1CCc2ccccc2C1 ZINC000183912732 323350417 /nfs/dbraw/zinc/35/04/17/323350417.db2.gz VAEZVRAYDHSUKX-GFCCVEGCSA-N 1 2 341.367 2.686 10 5 EFBELO Cc1csc([C@H](C)[NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)n1 ZINC000184167479 323358128 /nfs/dbraw/zinc/35/81/28/323358128.db2.gz KRCRKHJTYSAGQA-NSHDSACASA-N 1 2 346.412 2.600 10 5 EFBELO CC1(C)C[NH+](CC(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000579490971 323970755 /nfs/dbraw/zinc/97/07/55/323970755.db2.gz NFHWWTLAFNNBBX-OAHLLOKOSA-N 1 2 335.429 2.511 10 5 EFBELO C[C@H](C(=O)N1CCC(c2c[nH+]c[nH]2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000580751533 324225859 /nfs/dbraw/zinc/22/58/59/324225859.db2.gz SKKNXWMIUVLJKR-LBPRGKRZSA-N 1 2 328.372 2.828 10 5 EFBELO C[C@H](C(=O)N1CCC(c2c[nH]c[nH+]2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000580751533 324225860 /nfs/dbraw/zinc/22/58/60/324225860.db2.gz SKKNXWMIUVLJKR-LBPRGKRZSA-N 1 2 328.372 2.828 10 5 EFBELO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000619788821 479884948 /nfs/dbraw/zinc/88/49/48/479884948.db2.gz GIQRTGWVHBMQKR-UHFFFAOYSA-N 1 2 339.355 2.949 10 5 EFBELO C[C@@H]1CC[C@H](O)C[N@@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000399204387 476881383 /nfs/dbraw/zinc/88/13/83/476881383.db2.gz PACOIQJHDBIOAO-SKDRFNHKSA-N 1 2 329.194 2.703 10 5 EFBELO C[C@@H]1CC[C@H](O)C[N@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000399204387 476881387 /nfs/dbraw/zinc/88/13/87/476881387.db2.gz PACOIQJHDBIOAO-SKDRFNHKSA-N 1 2 329.194 2.703 10 5 EFBELO CC(=O)Nc1cc(NCCNc2cccc[nH+]2)c(F)cc1[N+](=O)[O-] ZINC000012914915 471805556 /nfs/dbraw/zinc/80/55/56/471805556.db2.gz GJXLCHTZPJGQMW-UHFFFAOYSA-N 1 2 333.323 2.611 10 5 EFBELO O=C(C[NH+]1CCC(c2ccccn2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000034094231 471989342 /nfs/dbraw/zinc/98/93/42/471989342.db2.gz VRMMJSNQPSYILY-UHFFFAOYSA-N 1 2 340.383 2.808 10 5 EFBELO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075533484 472152111 /nfs/dbraw/zinc/15/21/11/472152111.db2.gz SYBTWYKITWRFIY-NSHDSACASA-N 1 2 339.355 2.819 10 5 EFBELO Cc1c(C(=O)NCc2[nH+]ccn2CC(F)(F)F)cccc1[N+](=O)[O-] ZINC000075711385 472186925 /nfs/dbraw/zinc/18/69/25/472186925.db2.gz LCXJUEVONBKNNB-UHFFFAOYSA-N 1 2 342.277 2.592 10 5 EFBELO CC(C)Cn1cc[nH+]c1CNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087389649 472332656 /nfs/dbraw/zinc/33/26/56/472332656.db2.gz FBWLJOHHJADYGG-UHFFFAOYSA-N 1 2 330.388 2.696 10 5 EFBELO C[C@@H](c1cccc(O)c1)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000071892975 472603460 /nfs/dbraw/zinc/60/34/60/472603460.db2.gz HKUUAGWIXCLIFM-LBPRGKRZSA-N 1 2 329.356 2.932 10 5 EFBELO C[C@@H](c1cccc(O)c1)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000071892975 472603467 /nfs/dbraw/zinc/60/34/67/472603467.db2.gz HKUUAGWIXCLIFM-LBPRGKRZSA-N 1 2 329.356 2.932 10 5 EFBELO CC[C@@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)c1cccc([N+](=O)[O-])c1 ZINC000133166238 472778781 /nfs/dbraw/zinc/77/87/81/472778781.db2.gz UDDRMSICQOEGGV-XJKSGUPXSA-N 1 2 328.372 2.621 10 5 EFBELO Cc1ncc(C[NH+]2CCN(Cc3ccccc3[N+](=O)[O-])CC2)s1 ZINC000105813797 472781966 /nfs/dbraw/zinc/78/19/66/472781966.db2.gz SIXBKYATUVPHDT-UHFFFAOYSA-N 1 2 332.429 2.678 10 5 EFBELO Cc1noc([C@H](C)N2CC[NH+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000105864196 472793017 /nfs/dbraw/zinc/79/30/17/472793017.db2.gz AJYHQZFMWDMMOW-STQMWFEESA-N 1 2 345.403 2.726 10 5 EFBELO Cc1ncc(C[NH+]2CCN(Cc3cccc([N+](=O)[O-])c3C)CC2)s1 ZINC000106090103 472824516 /nfs/dbraw/zinc/82/45/16/472824516.db2.gz BIQCKGSCFBUSLG-UHFFFAOYSA-N 1 2 346.456 2.986 10 5 EFBELO Cc1ncc(CN2CC[NH+](Cc3cccc([N+](=O)[O-])c3C)CC2)s1 ZINC000106090103 472824524 /nfs/dbraw/zinc/82/45/24/472824524.db2.gz BIQCKGSCFBUSLG-UHFFFAOYSA-N 1 2 346.456 2.986 10 5 EFBELO CC(C)c1[nH+]c2c(n1C)CCN(CCOc1cccc([N+](=O)[O-])c1)C2 ZINC000106371852 472845308 /nfs/dbraw/zinc/84/53/08/472845308.db2.gz JJRJKRFXEKAPFN-UHFFFAOYSA-N 1 2 344.415 2.889 10 5 EFBELO CC(C)c1nc2c(n1C)CC[N@H+](CCOc1cccc([N+](=O)[O-])c1)C2 ZINC000106371852 472845317 /nfs/dbraw/zinc/84/53/17/472845317.db2.gz JJRJKRFXEKAPFN-UHFFFAOYSA-N 1 2 344.415 2.889 10 5 EFBELO CC(C)c1nc2c(n1C)CC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C2 ZINC000106371852 472845323 /nfs/dbraw/zinc/84/53/23/472845323.db2.gz JJRJKRFXEKAPFN-UHFFFAOYSA-N 1 2 344.415 2.889 10 5 EFBELO C[N@@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C[C@@H]1CCCCO1 ZINC000121835376 472925992 /nfs/dbraw/zinc/92/59/92/472925992.db2.gz DBMYDBYHAPEYHF-LBPRGKRZSA-N 1 2 341.795 2.688 10 5 EFBELO C[N@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C[C@@H]1CCCCO1 ZINC000121835376 472925997 /nfs/dbraw/zinc/92/59/97/472925997.db2.gz DBMYDBYHAPEYHF-LBPRGKRZSA-N 1 2 341.795 2.688 10 5 EFBELO COc1ccc(C[N@H+](C)CC(=O)Nc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000051531279 473052329 /nfs/dbraw/zinc/05/23/29/473052329.db2.gz GDMWDAJHLDPHLW-UHFFFAOYSA-N 1 2 347.346 2.813 10 5 EFBELO COc1ccc(C[N@@H+](C)CC(=O)Nc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000051531279 473052335 /nfs/dbraw/zinc/05/23/35/473052335.db2.gz GDMWDAJHLDPHLW-UHFFFAOYSA-N 1 2 347.346 2.813 10 5 EFBELO C[C@@H]1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000123220867 473112958 /nfs/dbraw/zinc/11/29/58/473112958.db2.gz BMFYUHRDKFJKAR-ABAIWWIYSA-N 1 2 332.335 2.654 10 5 EFBELO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCO[C@H](c3cccc(O)c3)C2)c1 ZINC000126808547 473548194 /nfs/dbraw/zinc/54/81/94/473548194.db2.gz FGNIFVUZQZRFLG-SFHVURJKSA-N 1 2 344.367 2.753 10 5 EFBELO O=[N+]([O-])c1cccc(OCC[N@H+]2CCO[C@H](c3cccc(O)c3)C2)c1 ZINC000126808547 473548205 /nfs/dbraw/zinc/54/82/05/473548205.db2.gz FGNIFVUZQZRFLG-SFHVURJKSA-N 1 2 344.367 2.753 10 5 EFBELO COc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccco2)c([N+](=O)[O-])c1 ZINC000116288638 473648152 /nfs/dbraw/zinc/64/81/52/473648152.db2.gz BHXMULVUPUGJGH-AWEZNQCLSA-N 1 2 345.355 2.972 10 5 EFBELO COc1ccc(NC(=O)C[N@H+]2CCC[C@H]2c2ccco2)c([N+](=O)[O-])c1 ZINC000116288638 473648156 /nfs/dbraw/zinc/64/81/56/473648156.db2.gz BHXMULVUPUGJGH-AWEZNQCLSA-N 1 2 345.355 2.972 10 5 EFBELO C[C@@H]1CCN(c2ncnc3sc([N+](=O)[O-])cc32)C[C@H]1n1cc[nH+]c1 ZINC000287720936 473743557 /nfs/dbraw/zinc/74/35/57/473743557.db2.gz FIJQLXBFAUAHJK-ZYHUDNBSSA-N 1 2 344.400 2.884 10 5 EFBELO Cc1ccc([C@@H]2COCC[N@@H+]2C[C@@H](O)c2cccc([N+](=O)[O-])c2)o1 ZINC000246290623 473817465 /nfs/dbraw/zinc/81/74/65/473817465.db2.gz ORKXOGBXTXTGCP-JKSUJKDBSA-N 1 2 332.356 2.603 10 5 EFBELO Cc1ccc([C@@H]2COCC[N@H+]2C[C@@H](O)c2cccc([N+](=O)[O-])c2)o1 ZINC000246290623 473817471 /nfs/dbraw/zinc/81/74/71/473817471.db2.gz ORKXOGBXTXTGCP-JKSUJKDBSA-N 1 2 332.356 2.603 10 5 EFBELO Cc1nsc(N2CCC[N@H+](Cc3csc([N+](=O)[O-])c3)CC2)n1 ZINC000174167700 473999333 /nfs/dbraw/zinc/99/93/33/473999333.db2.gz VQBXFIFGKCISMP-UHFFFAOYSA-N 1 2 339.446 2.529 10 5 EFBELO Cc1nsc(N2CCC[N@@H+](Cc3csc([N+](=O)[O-])c3)CC2)n1 ZINC000174167700 473999341 /nfs/dbraw/zinc/99/93/41/473999341.db2.gz VQBXFIFGKCISMP-UHFFFAOYSA-N 1 2 339.446 2.529 10 5 EFBELO O=[N+]([O-])c1ccc(Oc2cc(-n3cc[nH+]c3)ncn2)c2cccnc21 ZINC000613704578 480084736 /nfs/dbraw/zinc/08/47/36/480084736.db2.gz SVCWDLBPRVVPOC-UHFFFAOYSA-N 1 2 334.295 2.911 10 5 EFBELO Cc1csc(C2([NH2+]CC(=O)Nc3ccccc3[N+](=O)[O-])CCC2)n1 ZINC000265471341 474226529 /nfs/dbraw/zinc/22/65/29/474226529.db2.gz IFLXAWLCMVNCEW-UHFFFAOYSA-N 1 2 346.412 2.967 10 5 EFBELO Cc1ccnc(NC(=O)C[N@@H+](C)[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000608800107 480095183 /nfs/dbraw/zinc/09/51/83/480095183.db2.gz ASMMQWDVIZKSOM-CYBMUJFWSA-N 1 2 328.372 2.930 10 5 EFBELO Cc1ccnc(NC(=O)C[N@H+](C)[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000608800107 480095191 /nfs/dbraw/zinc/09/51/91/480095191.db2.gz ASMMQWDVIZKSOM-CYBMUJFWSA-N 1 2 328.372 2.930 10 5 EFBELO CO[C@H]1C[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[C@@H]1C ZINC000189274058 474344336 /nfs/dbraw/zinc/34/43/36/474344336.db2.gz APMACTWLZBKSFL-HZMBPMFUSA-N 1 2 341.795 2.544 10 5 EFBELO CO[C@H]1C[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[C@@H]1C ZINC000189274058 474344343 /nfs/dbraw/zinc/34/43/43/474344343.db2.gz APMACTWLZBKSFL-HZMBPMFUSA-N 1 2 341.795 2.544 10 5 EFBELO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000176333806 474443221 /nfs/dbraw/zinc/44/32/21/474443221.db2.gz YRFGZSIAWAKUET-CQSZACIVSA-N 1 2 329.360 2.796 10 5 EFBELO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc21)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609131074 480115134 /nfs/dbraw/zinc/11/51/34/480115134.db2.gz HHGHJQBTMJWPJO-ZDUSSCGKSA-N 1 2 339.355 2.750 10 5 EFBELO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc21)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609131073 480115715 /nfs/dbraw/zinc/11/57/15/480115715.db2.gz HHGHJQBTMJWPJO-CYBMUJFWSA-N 1 2 339.355 2.750 10 5 EFBELO CO[C@@H]1C[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[C@H]1C ZINC000251433238 474635881 /nfs/dbraw/zinc/63/58/81/474635881.db2.gz APMACTWLZBKSFL-QMTHXVAHSA-N 1 2 341.795 2.544 10 5 EFBELO CO[C@@H]1C[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[C@H]1C ZINC000251433238 474635885 /nfs/dbraw/zinc/63/58/85/474635885.db2.gz APMACTWLZBKSFL-QMTHXVAHSA-N 1 2 341.795 2.544 10 5 EFBELO O=C1NCCC[N@@H+](Cc2csc([N+](=O)[O-])c2)[C@H]1Cc1ccccc1 ZINC000293115162 474821027 /nfs/dbraw/zinc/82/10/27/474821027.db2.gz YRWCZNQPHXWJIN-HNNXBMFYSA-N 1 2 345.424 2.590 10 5 EFBELO O=C1NCCC[N@H+](Cc2csc([N+](=O)[O-])c2)[C@H]1Cc1ccccc1 ZINC000293115162 474821035 /nfs/dbraw/zinc/82/10/35/474821035.db2.gz YRWCZNQPHXWJIN-HNNXBMFYSA-N 1 2 345.424 2.590 10 5 EFBELO Cc1nc(N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)cc[nH+]1 ZINC000293182489 474858029 /nfs/dbraw/zinc/85/80/29/474858029.db2.gz TWTKXEBSQIXFGJ-UHFFFAOYSA-N 1 2 333.779 2.673 10 5 EFBELO C[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccc([S@@](C)=O)cc1 ZINC000339074073 474901156 /nfs/dbraw/zinc/90/11/56/474901156.db2.gz ILOBVGHQNDDWBM-QVQLBTGDSA-N 1 2 334.397 2.889 10 5 EFBELO CN1CC[C@@H]([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000339177125 475008492 /nfs/dbraw/zinc/00/84/92/475008492.db2.gz ZXBVGJGFVMPIIP-SJLPKXTDSA-N 1 2 327.384 2.835 10 5 EFBELO C[N@@H+]1CC[C@@H](NCc2cc(O)ccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000339177125 475008495 /nfs/dbraw/zinc/00/84/95/475008495.db2.gz ZXBVGJGFVMPIIP-SJLPKXTDSA-N 1 2 327.384 2.835 10 5 EFBELO C[N@H+]1CC[C@@H](NCc2cc(O)ccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000339177125 475008503 /nfs/dbraw/zinc/00/85/03/475008503.db2.gz ZXBVGJGFVMPIIP-SJLPKXTDSA-N 1 2 327.384 2.835 10 5 EFBELO CCOC(=O)c1nn(C)cc1C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292718658 475168917 /nfs/dbraw/zinc/16/89/17/475168917.db2.gz DZHGFOSTUWLUSD-UHFFFAOYSA-N 1 2 346.387 2.530 10 5 EFBELO CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc(-c3[nH]cc[nH+]3)ccc2C)n1 ZINC000357890755 475236968 /nfs/dbraw/zinc/23/69/68/475236968.db2.gz BNFPNFAXDLLWPN-UHFFFAOYSA-N 1 2 340.343 2.762 10 5 EFBELO CNc1c(C(=O)Nc2ccc3[nH+]c(C)cn3c2)cccc1[N+](=O)[O-] ZINC000361211062 475272285 /nfs/dbraw/zinc/27/22/85/475272285.db2.gz NGZOERAZQLYKFK-UHFFFAOYSA-N 1 2 325.328 2.845 10 5 EFBELO Cn1c[nH+]cc1Cc1noc(-c2ccc(NC3CC3)c([N+](=O)[O-])c2)n1 ZINC000357949454 475285551 /nfs/dbraw/zinc/28/55/51/475285551.db2.gz BAWLHBKIWPQKFR-UHFFFAOYSA-N 1 2 340.343 2.543 10 5 EFBELO Cc1ccc([C@@H](C)NC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)cc1[N+](=O)[O-] ZINC000357954881 475289867 /nfs/dbraw/zinc/28/98/67/475289867.db2.gz HYBUPJGHCLQDRA-YPMHNXCESA-N 1 2 343.387 2.544 10 5 EFBELO Cc1ccc([C@@H](C)NC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)cc1[N+](=O)[O-] ZINC000357954881 475289873 /nfs/dbraw/zinc/28/98/73/475289873.db2.gz HYBUPJGHCLQDRA-YPMHNXCESA-N 1 2 343.387 2.544 10 5 EFBELO Cc1csc([C@H](C)[NH2+]CC(=O)Nc2c(C)cccc2[N+](=O)[O-])n1 ZINC000348097987 475385686 /nfs/dbraw/zinc/38/56/86/475385686.db2.gz XPBTXSMONLURQR-NSHDSACASA-N 1 2 334.401 2.957 10 5 EFBELO COc1cc(C[N@H+](C)Cc2ccc([S@](C)=O)cc2)ccc1[N+](=O)[O-] ZINC000352539939 475394144 /nfs/dbraw/zinc/39/41/44/475394144.db2.gz FHIHZWZHQLAEDY-DEOSSOPVSA-N 1 2 348.424 2.973 10 5 EFBELO COc1cc(C[N@@H+](C)Cc2ccc([S@](C)=O)cc2)ccc1[N+](=O)[O-] ZINC000352539939 475394150 /nfs/dbraw/zinc/39/41/50/475394150.db2.gz FHIHZWZHQLAEDY-DEOSSOPVSA-N 1 2 348.424 2.973 10 5 EFBELO CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1cn2ccc(C)cc2[nH+]1 ZINC000358123723 475419934 /nfs/dbraw/zinc/41/99/34/475419934.db2.gz IBBNCNNNJXBHMJ-UHFFFAOYSA-N 1 2 339.355 2.523 10 5 EFBELO Cc1ccncc1C[N@@H+](C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000361436753 475449649 /nfs/dbraw/zinc/44/96/49/475449649.db2.gz BNGDADBIXPGDKE-QGZVFWFLSA-N 1 2 340.383 2.536 10 5 EFBELO Cc1ccncc1C[N@H+](C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000361436753 475449657 /nfs/dbraw/zinc/44/96/57/475449657.db2.gz BNGDADBIXPGDKE-QGZVFWFLSA-N 1 2 340.383 2.536 10 5 EFBELO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000358200324 475482197 /nfs/dbraw/zinc/48/21/97/475482197.db2.gz ZUDCWYJYBZECSE-UONOGXRCSA-N 1 2 342.399 2.560 10 5 EFBELO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000358200324 475482202 /nfs/dbraw/zinc/48/22/02/475482202.db2.gz ZUDCWYJYBZECSE-UONOGXRCSA-N 1 2 342.399 2.560 10 5 EFBELO Cn1ccc(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)n1 ZINC000345837883 475495342 /nfs/dbraw/zinc/49/53/42/475495342.db2.gz QICWHZMFDGRVKG-UHFFFAOYSA-N 1 2 329.385 2.742 10 5 EFBELO C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000348237209 475512978 /nfs/dbraw/zinc/51/29/78/475512978.db2.gz YKXYGMVLBONGIV-GWCFXTLKSA-N 1 2 345.321 2.830 10 5 EFBELO C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000348237209 475512984 /nfs/dbraw/zinc/51/29/84/475512984.db2.gz YKXYGMVLBONGIV-GWCFXTLKSA-N 1 2 345.321 2.830 10 5 EFBELO COc1ccc2nc(C[NH2+][C@H](C)c3ccccc3[N+](=O)[O-])[nH]c2n1 ZINC000355003748 475590482 /nfs/dbraw/zinc/59/04/82/475590482.db2.gz CTVNNXVHYBSCIR-SNVBAGLBSA-N 1 2 327.344 2.726 10 5 EFBELO COc1ccc2nc(C[NH2+][C@@H](C)c3ccccc3[N+](=O)[O-])[nH]c2n1 ZINC000355003747 475591250 /nfs/dbraw/zinc/59/12/50/475591250.db2.gz CTVNNXVHYBSCIR-JTQLQIEISA-N 1 2 327.344 2.726 10 5 EFBELO CNC(=O)C[C@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000361648749 475628206 /nfs/dbraw/zinc/62/82/06/475628206.db2.gz UELADHJQWNUDMK-HNNXBMFYSA-N 1 2 331.347 2.701 10 5 EFBELO CNC(=O)C[C@@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000361648750 475628719 /nfs/dbraw/zinc/62/87/19/475628719.db2.gz UELADHJQWNUDMK-OAHLLOKOSA-N 1 2 331.347 2.701 10 5 EFBELO CC[N@H+](CC(=O)OC)Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000353282566 475831329 /nfs/dbraw/zinc/83/13/29/475831329.db2.gz JNBRRUVWAGWMOO-UHFFFAOYSA-N 1 2 348.355 2.858 10 5 EFBELO CC[N@@H+](CC(=O)OC)Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000353282566 475831337 /nfs/dbraw/zinc/83/13/37/475831337.db2.gz JNBRRUVWAGWMOO-UHFFFAOYSA-N 1 2 348.355 2.858 10 5 EFBELO O=[N+]([O-])c1cnccc1NCc1[nH+]ccn1CCCc1ccccc1 ZINC000343425680 476053227 /nfs/dbraw/zinc/05/32/27/476053227.db2.gz LVABDFDFPSLGMJ-UHFFFAOYSA-N 1 2 337.383 2.853 10 5 EFBELO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+](CC(F)F)CC1CCC1 ZINC000343777260 476112785 /nfs/dbraw/zinc/11/27/85/476112785.db2.gz XWOAOLPKSIHSSU-ZDUSSCGKSA-N 1 2 344.358 2.702 10 5 EFBELO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+](CC(F)F)CC1CCC1 ZINC000343777260 476112792 /nfs/dbraw/zinc/11/27/92/476112792.db2.gz XWOAOLPKSIHSSU-ZDUSSCGKSA-N 1 2 344.358 2.702 10 5 EFBELO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ncc(Br)cn1 ZINC000353896622 476316792 /nfs/dbraw/zinc/31/67/92/476316792.db2.gz HIJLKHMJJAFLHB-VIFPVBQESA-N 1 2 337.177 2.998 10 5 EFBELO Cc1cn2c([nH+]1)CN(C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)CC2 ZINC000360717207 476351096 /nfs/dbraw/zinc/35/10/96/476351096.db2.gz WBOMSLMAXKURLD-CYBMUJFWSA-N 1 2 343.387 2.695 10 5 EFBELO CC[C@@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)[C@@H](CC)CN1C(C)=O ZINC000354117923 476439616 /nfs/dbraw/zinc/43/96/16/476439616.db2.gz UECYFISGCVVJPE-UONOGXRCSA-N 1 2 325.434 2.878 10 5 EFBELO CC[C@@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)[C@@H](CC)CN1C(C)=O ZINC000354117923 476439621 /nfs/dbraw/zinc/43/96/21/476439621.db2.gz UECYFISGCVVJPE-UONOGXRCSA-N 1 2 325.434 2.878 10 5 EFBELO CCCCc1noc([C@H](C)[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1 ZINC000369692005 476480644 /nfs/dbraw/zinc/48/06/44/476480644.db2.gz GMNLOMXDJPVKQY-LBPRGKRZSA-N 1 2 348.407 2.915 10 5 EFBELO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000377748129 476558845 /nfs/dbraw/zinc/55/88/45/476558845.db2.gz STLCPAVIETWFJJ-LLVKDONJSA-N 1 2 329.360 2.614 10 5 EFBELO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000377748129 476558850 /nfs/dbraw/zinc/55/88/50/476558850.db2.gz STLCPAVIETWFJJ-LLVKDONJSA-N 1 2 329.360 2.614 10 5 EFBELO CC[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@]2(CCOC2)O1 ZINC000370112126 476671041 /nfs/dbraw/zinc/67/10/41/476671041.db2.gz MKFDUKMMIMKBLG-DYVFJYSZSA-N 1 2 347.371 2.506 10 5 EFBELO CC[C@@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@]2(CCOC2)O1 ZINC000370112126 476671048 /nfs/dbraw/zinc/67/10/48/476671048.db2.gz MKFDUKMMIMKBLG-DYVFJYSZSA-N 1 2 347.371 2.506 10 5 EFBELO C[C@@H]1C[C@@]2(CCO1)C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C[C@H](C)O2 ZINC000430269701 476797165 /nfs/dbraw/zinc/79/71/65/476797165.db2.gz PGJPZSNQUXMFAU-IGCXYCKISA-N 1 2 338.379 2.892 10 5 EFBELO C[C@@H]1C[C@@]2(CCO1)C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C[C@H](C)O2 ZINC000430269701 476797170 /nfs/dbraw/zinc/79/71/70/476797170.db2.gz PGJPZSNQUXMFAU-IGCXYCKISA-N 1 2 338.379 2.892 10 5 EFBELO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)CCCn1cc[nH+]c1 ZINC000446179471 476841350 /nfs/dbraw/zinc/84/13/50/476841350.db2.gz LMVAHPXGSSVZGF-UHFFFAOYSA-N 1 2 336.779 2.915 10 5 EFBELO CS(=O)(=O)CC[C@H]1CCCC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000366426999 477002558 /nfs/dbraw/zinc/00/25/58/477002558.db2.gz BXURNAWHBPUUJC-CQSZACIVSA-N 1 2 344.408 2.523 10 5 EFBELO CS(=O)(=O)CC[C@H]1CCCC[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000366426999 477002562 /nfs/dbraw/zinc/00/25/62/477002562.db2.gz BXURNAWHBPUUJC-CQSZACIVSA-N 1 2 344.408 2.523 10 5 EFBELO CCc1cc(N[C@H]2CCOC[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000432867439 477282117 /nfs/dbraw/zinc/28/21/17/477282117.db2.gz VXBMLOCSCVQNSL-WBMJQRKESA-N 1 2 342.399 2.873 10 5 EFBELO CCOc1ccc(C(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000371526488 477371463 /nfs/dbraw/zinc/37/14/63/477371463.db2.gz RJQRDEFNNSKOKS-GFCCVEGCSA-N 1 2 330.344 2.694 10 5 EFBELO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000376715713 477472121 /nfs/dbraw/zinc/47/21/21/477472121.db2.gz NMRWIKCXASSCQF-ZZXKWVIFSA-N 1 2 349.350 2.505 10 5 EFBELO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000376831429 477522916 /nfs/dbraw/zinc/52/29/16/477522916.db2.gz JEICBLLLLGPNDJ-FQNOHDAGSA-N 1 2 340.383 2.748 10 5 EFBELO CC(C)(C)[N@@H+]1CCc2nc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)sc2C1 ZINC000425078188 477632093 /nfs/dbraw/zinc/63/20/93/477632093.db2.gz JZLWWKRPRCXJMY-UHFFFAOYSA-N 1 2 349.416 2.788 10 5 EFBELO CC(C)(C)[N@H+]1CCc2nc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)sc2C1 ZINC000425078188 477632102 /nfs/dbraw/zinc/63/21/02/477632102.db2.gz JZLWWKRPRCXJMY-UHFFFAOYSA-N 1 2 349.416 2.788 10 5 EFBELO CC[C@@H]1[C@H](CO)CCN1c1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000450653009 477670967 /nfs/dbraw/zinc/67/09/67/477670967.db2.gz GFJZDTVFSFSSCH-GOEBONIOSA-N 1 2 342.399 2.957 10 5 EFBELO C[C@](CO)([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1cccc(O)c1 ZINC000451043239 477800959 /nfs/dbraw/zinc/80/09/59/477800959.db2.gz SCLDRCLDSMAINU-MRXNPFEDSA-N 1 2 336.775 2.951 10 5 EFBELO O=C(N[C@@H]1CC12CCCC2)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451186454 477867288 /nfs/dbraw/zinc/86/72/88/477867288.db2.gz OIPFOBXRXCHENF-OAHLLOKOSA-N 1 2 326.356 2.843 10 5 EFBELO C[C@H]1C[C@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c2[nH+]ccn21 ZINC000456386097 477904106 /nfs/dbraw/zinc/90/41/06/477904106.db2.gz ONYUJFVZJRPFBI-XPTSAGLGSA-N 1 2 325.328 2.708 10 5 EFBELO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH+]2CC3(C2)CCOCC3)c1 ZINC000459617068 478011433 /nfs/dbraw/zinc/01/14/33/478011433.db2.gz ITVLGPKXUKZEAR-UHFFFAOYSA-N 1 2 328.315 2.809 10 5 EFBELO CN(C)c1ccc(CNc2nc3c(cc2[N+](=O)[O-])CCCC3)c[nH+]1 ZINC000517026896 478038342 /nfs/dbraw/zinc/03/83/42/478038342.db2.gz PUKRLTSCLICSEL-UHFFFAOYSA-N 1 2 327.388 2.942 10 5 EFBELO O=[N+]([O-])c1cnc2ccccc2c1N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000488096923 478118418 /nfs/dbraw/zinc/11/84/18/478118418.db2.gz ZBHRMOBBRRWHBI-CYBMUJFWSA-N 1 2 335.367 2.651 10 5 EFBELO CC[C@@H](NC(=O)N[C@@H]1CCn2cc[nH+]c2C1)c1cccc([N+](=O)[O-])c1 ZINC000488643485 478168250 /nfs/dbraw/zinc/16/82/50/478168250.db2.gz KTEWXHRLBRZFTD-UKRRQHHQSA-N 1 2 343.387 2.557 10 5 EFBELO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CCn2cc(C)[nH+]c2C1 ZINC000590696808 478295926 /nfs/dbraw/zinc/29/59/26/478295926.db2.gz QJMNPSICAINPRJ-UHFFFAOYSA-N 1 2 339.355 2.677 10 5 EFBELO Cc1ccc([C@H](C)NC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)cc1[N+](=O)[O-] ZINC000597348145 478305662 /nfs/dbraw/zinc/30/56/62/478305662.db2.gz FSBZCZZHYOIQJA-AAEUAGOBSA-N 1 2 328.372 2.609 10 5 EFBELO Cc1ccc([C@H](C)NC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)cc1[N+](=O)[O-] ZINC000597348145 478305667 /nfs/dbraw/zinc/30/56/67/478305667.db2.gz FSBZCZZHYOIQJA-AAEUAGOBSA-N 1 2 328.372 2.609 10 5 EFBELO O=C(N[C@@H]1CCCC1(F)F)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000590761428 478325889 /nfs/dbraw/zinc/32/58/89/478325889.db2.gz WOVXGXJQNRYCBX-CYBMUJFWSA-N 1 2 336.298 2.698 10 5 EFBELO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@]2(CCSC2)C1 ZINC000520575493 478326034 /nfs/dbraw/zinc/32/60/34/478326034.db2.gz PPAWWHAEOMAKGC-MRXNPFEDSA-N 1 2 338.429 2.701 10 5 EFBELO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@]2(CCSC2)C1 ZINC000520575493 478326040 /nfs/dbraw/zinc/32/60/40/478326040.db2.gz PPAWWHAEOMAKGC-MRXNPFEDSA-N 1 2 338.429 2.701 10 5 EFBELO CCc1cc(NCC[C@@H]2CCOC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000542268755 478639324 /nfs/dbraw/zinc/63/93/24/478639324.db2.gz AOQQBASKNSZCLJ-CYBMUJFWSA-N 1 2 342.399 2.875 10 5 EFBELO CCOc1ccc([C@H](C)[NH2+][C@H]2C[C@H](C)n3ncnc32)cc1[N+](=O)[O-] ZINC000595074014 478650380 /nfs/dbraw/zinc/65/03/80/478650380.db2.gz SNFXEELNEDDSJS-GVXVVHGQSA-N 1 2 331.376 2.942 10 5 EFBELO C[C@@H]1CCC[C@H](C[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)O1 ZINC000595081381 478654333 /nfs/dbraw/zinc/65/43/33/478654333.db2.gz SABHAQVRHXLUGM-KBRIMQKVSA-N 1 2 344.415 2.965 10 5 EFBELO O=[N+]([O-])c1cc2c(nc1N1CCC[C@@H](n3cc[nH+]c3)C1)CCCC2 ZINC000591907483 478694857 /nfs/dbraw/zinc/69/48/57/478694857.db2.gz CEZLURNZJNPUER-CQSZACIVSA-N 1 2 327.388 2.907 10 5 EFBELO C[C@H]1C[C@H](Nc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)c2[nH+]ccn21 ZINC000601171433 478704725 /nfs/dbraw/zinc/70/47/25/478704725.db2.gz LMWOWRSHASXUFI-BQBZGAKWSA-N 1 2 330.270 2.662 10 5 EFBELO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@@H](CCF)C1 ZINC000598222250 478713503 /nfs/dbraw/zinc/71/35/03/478713503.db2.gz XYACTKJVQLZINB-ZDUSSCGKSA-N 1 2 346.362 2.992 10 5 EFBELO Cc1cccn2c(NC(=O)c3n[nH]c(C(C)C)c3[N+](=O)[O-])c[nH+]c12 ZINC000598262990 478732298 /nfs/dbraw/zinc/73/22/98/478732298.db2.gz PUPDBDTVCHZXCP-UHFFFAOYSA-N 1 2 328.332 2.650 10 5 EFBELO Cn1c[nH+]cc1Cc1noc(C2(c3ccc([N+](=O)[O-])cc3)CCC2)n1 ZINC000601369590 478806017 /nfs/dbraw/zinc/80/60/17/478806017.db2.gz HEMWKTFQMCTLJD-UHFFFAOYSA-N 1 2 339.355 2.772 10 5 EFBELO C[C@@H](NC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F)c1[nH+]ccn1C ZINC000598465400 478837990 /nfs/dbraw/zinc/83/79/90/478837990.db2.gz RFDWRUFMUQXFBB-MRVPVSSYSA-N 1 2 342.277 2.838 10 5 EFBELO COc1ccc(C[NH2+][C@H](C)c2cc3n(n2)CCCC3)cc1[N+](=O)[O-] ZINC000592387258 478880222 /nfs/dbraw/zinc/88/02/22/478880222.db2.gz CGMUAPUCKKTIDR-GFCCVEGCSA-N 1 2 330.388 2.987 10 5 EFBELO COc1ccc(C[NH2+][C@@H](C)c2cc3n(n2)CCCC3)cc1[N+](=O)[O-] ZINC000592387259 478880671 /nfs/dbraw/zinc/88/06/71/478880671.db2.gz CGMUAPUCKKTIDR-LBPRGKRZSA-N 1 2 330.388 2.987 10 5 EFBELO C[C@@]1(C2CC2)C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CCO1 ZINC000595618984 478891456 /nfs/dbraw/zinc/89/14/56/478891456.db2.gz XLKAFQOSEPYAAQ-KRWDZBQOSA-N 1 2 344.371 2.646 10 5 EFBELO C[C@@]1(C2CC2)C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CCO1 ZINC000595618984 478891462 /nfs/dbraw/zinc/89/14/62/478891462.db2.gz XLKAFQOSEPYAAQ-KRWDZBQOSA-N 1 2 344.371 2.646 10 5 EFBELO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCC[C@H]1CC1(F)F ZINC000598638771 478938995 /nfs/dbraw/zinc/93/89/95/478938995.db2.gz PEIPMUCXJBLZEW-ZDUSSCGKSA-N 1 2 341.358 2.884 10 5 EFBELO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@H](C(F)F)C1CCCCC1 ZINC000598647876 478944543 /nfs/dbraw/zinc/94/45/43/478944543.db2.gz CPKXBXDBVNCJTA-AWEZNQCLSA-N 1 2 329.347 2.560 10 5 EFBELO CC(C)(C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])c1c[nH]c[nH+]1 ZINC000598696117 478976609 /nfs/dbraw/zinc/97/66/09/478976609.db2.gz UASURGZXBHKYMU-UHFFFAOYSA-N 1 2 336.779 2.608 10 5 EFBELO C[C@@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)O1 ZINC000595779652 478991660 /nfs/dbraw/zinc/99/16/60/478991660.db2.gz FCWJULLVFCQVEF-MNOVXSKESA-N 1 2 341.795 2.686 10 5 EFBELO C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)O1 ZINC000595779652 478991667 /nfs/dbraw/zinc/99/16/67/478991667.db2.gz FCWJULLVFCQVEF-MNOVXSKESA-N 1 2 341.795 2.686 10 5 EFBELO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(c2ccon2)CC1 ZINC000595829286 479019821 /nfs/dbraw/zinc/01/98/21/479019821.db2.gz SXUJOUCENLBCHI-GFCCVEGCSA-N 1 2 344.371 2.789 10 5 EFBELO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CC(CC2CC2)C1 ZINC000598781387 479024103 /nfs/dbraw/zinc/02/41/03/479024103.db2.gz NHKUOZQFUIIFIE-UHFFFAOYSA-N 1 2 326.356 2.653 10 5 EFBELO COc1cc(C[NH2+][C@H](CO)c2ccc(F)cc2F)ccc1[N+](=O)[O-] ZINC000595867082 479041203 /nfs/dbraw/zinc/04/12/03/479041203.db2.gz KPPPLOJJWISRQP-CQSZACIVSA-N 1 2 338.310 2.705 10 5 EFBELO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCc2c(cccc2C(N)=O)C1 ZINC000595904408 479061173 /nfs/dbraw/zinc/06/11/73/479061173.db2.gz YCWWRDMAFGLKHM-LBPRGKRZSA-N 1 2 325.368 2.813 10 5 EFBELO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCc2c(cccc2C(N)=O)C1 ZINC000595904408 479061181 /nfs/dbraw/zinc/06/11/81/479061181.db2.gz YCWWRDMAFGLKHM-LBPRGKRZSA-N 1 2 325.368 2.813 10 5 EFBELO COc1cc(C[N@@H+]2C[C@@H](C)O[C@@](C)(C(F)F)C2)ccc1[N+](=O)[O-] ZINC000595921937 479076001 /nfs/dbraw/zinc/07/60/01/479076001.db2.gz ZKELOABQLJSCIX-MEBBXXQBSA-N 1 2 330.331 2.848 10 5 EFBELO COc1cc(C[N@H+]2C[C@@H](C)O[C@@](C)(C(F)F)C2)ccc1[N+](=O)[O-] ZINC000595921937 479076004 /nfs/dbraw/zinc/07/60/04/479076004.db2.gz ZKELOABQLJSCIX-MEBBXXQBSA-N 1 2 330.331 2.848 10 5 EFBELO C[C@@H]1C(=O)Nc2ccccc2C[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000598947429 479096271 /nfs/dbraw/zinc/09/62/71/479096271.db2.gz BGYSPDMFJULWTB-CYBMUJFWSA-N 1 2 341.367 2.816 10 5 EFBELO C[C@@H]1C(=O)Nc2ccccc2C[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000598947429 479096277 /nfs/dbraw/zinc/09/62/77/479096277.db2.gz BGYSPDMFJULWTB-CYBMUJFWSA-N 1 2 341.367 2.816 10 5 EFBELO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000598947585 479096783 /nfs/dbraw/zinc/09/67/83/479096783.db2.gz OASDOJWQMICGEX-NSHDSACASA-N 1 2 346.412 2.648 10 5 EFBELO CCOc1cc(C[N@@H+]2CCO[C@H](C(F)F)CC2)ccc1[N+](=O)[O-] ZINC000601978190 479106687 /nfs/dbraw/zinc/10/66/87/479106687.db2.gz VPCQROLZDXLOBZ-ZDUSSCGKSA-N 1 2 330.331 2.850 10 5 EFBELO CCOc1cc(C[N@H+]2CCO[C@H](C(F)F)CC2)ccc1[N+](=O)[O-] ZINC000601978190 479106696 /nfs/dbraw/zinc/10/66/96/479106696.db2.gz VPCQROLZDXLOBZ-ZDUSSCGKSA-N 1 2 330.331 2.850 10 5 EFBELO CC(C)(C)C(F)(F)C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000596069047 479119298 /nfs/dbraw/zinc/11/92/98/479119298.db2.gz JBIIBPSROYVZSC-LBPRGKRZSA-N 1 2 332.347 2.606 10 5 EFBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)[C@H](C)c2ccccn2)c1 ZINC000593018441 479127132 /nfs/dbraw/zinc/12/71/32/479127132.db2.gz KJKCRDIOFHLUOF-GFCCVEGCSA-N 1 2 329.356 2.969 10 5 EFBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)[C@H](C)c2ccccn2)c1 ZINC000593018441 479127137 /nfs/dbraw/zinc/12/71/37/479127137.db2.gz KJKCRDIOFHLUOF-GFCCVEGCSA-N 1 2 329.356 2.969 10 5 EFBELO CCOc1cc(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(=O)OC)ccc1[N+](=O)[O-] ZINC000493741811 479138887 /nfs/dbraw/zinc/13/88/87/479138887.db2.gz YFZGBVYMGIUBBP-VBQJREDUSA-N 1 2 348.399 2.767 10 5 EFBELO CCOc1cc(C[N@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(=O)OC)ccc1[N+](=O)[O-] ZINC000493741811 479138891 /nfs/dbraw/zinc/13/88/91/479138891.db2.gz YFZGBVYMGIUBBP-VBQJREDUSA-N 1 2 348.399 2.767 10 5 EFBELO Cn1cc(C[C@@H]2CCN(c3ccc4c[nH+]ccc4c3[N+](=O)[O-])C2)cn1 ZINC000599055453 479141664 /nfs/dbraw/zinc/14/16/64/479141664.db2.gz RXFJUIZTPBFMLL-ZDUSSCGKSA-N 1 2 337.383 2.946 10 5 EFBELO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000599062816 479144804 /nfs/dbraw/zinc/14/48/04/479144804.db2.gz UFSRHYVMITVNAU-CVEARBPZSA-N 1 2 329.356 2.527 10 5 EFBELO O=[N+]([O-])c1c(NCCC2CCS(=O)(=O)CC2)ccc2c[nH+]ccc21 ZINC000599065077 479146356 /nfs/dbraw/zinc/14/63/56/479146356.db2.gz MUBUBQDYZFSMAO-UHFFFAOYSA-N 1 2 349.412 2.770 10 5 EFBELO COc1cc(N[C@@H](C)[C@H](C)[NH+]2CCOCC2)c(Cl)cc1[N+](=O)[O-] ZINC000596114959 479146299 /nfs/dbraw/zinc/14/62/99/479146299.db2.gz PHFUIOVMLRASCS-QWRGUYRKSA-N 1 2 343.811 2.778 10 5 EFBELO CC(C)(C)OC(=O)[C@@](C)(O)CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599068970 479147423 /nfs/dbraw/zinc/14/74/23/479147423.db2.gz RQVSHTWVDIDNEC-KRWDZBQOSA-N 1 2 347.371 2.648 10 5 EFBELO CCO[C@@]1(C)C[C@H]1[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000599071970 479149347 /nfs/dbraw/zinc/14/93/47/479149347.db2.gz DCWRYRAFXYPULP-VYDXJSESSA-N 1 2 330.388 2.575 10 5 EFBELO C[C@H]1CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000599071217 479149736 /nfs/dbraw/zinc/14/97/36/479149736.db2.gz RIVNXIXUNOUOJF-SJCJKPOMSA-N 1 2 329.356 2.527 10 5 EFBELO CN1CCC2(CCN(c3ccc4c[nH+]ccc4c3[N+](=O)[O-])CC2)C1=O ZINC000599073856 479150636 /nfs/dbraw/zinc/15/06/36/479150636.db2.gz ORDGTDFBGFRFSO-UHFFFAOYSA-N 1 2 340.383 2.592 10 5 EFBELO CS(=O)(=O)[C@H]1CCCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599075106 479151901 /nfs/dbraw/zinc/15/19/01/479151901.db2.gz SZANXXHHZBDAAV-ZDUSSCGKSA-N 1 2 349.412 2.547 10 5 EFBELO CC[C@@H]1CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C[C@@H](C)[S@@]1=O ZINC000599081748 479153523 /nfs/dbraw/zinc/15/35/23/479153523.db2.gz LWXIBOPACBLEJV-JCRSYGSLSA-N 1 2 333.413 2.879 10 5 EFBELO CC[C@H]1CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C[C@H](C)S1(=O)=O ZINC000599085077 479155711 /nfs/dbraw/zinc/15/57/11/479155711.db2.gz LIYGKTMSMZNPRS-AAEUAGOBSA-N 1 2 349.412 2.545 10 5 EFBELO COC(=O)Cc1cc[nH+]c(NCCCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000596134444 479157354 /nfs/dbraw/zinc/15/73/54/479157354.db2.gz IUCVQBUKQKRZBU-UHFFFAOYSA-N 1 2 343.383 2.562 10 5 EFBELO CO[C@@H]1C[C@H](c2nc(C)no2)[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000573870462 479162956 /nfs/dbraw/zinc/16/29/56/479162956.db2.gz WQIPKJGZRAKYIF-QAOXIVLQSA-N 1 2 344.371 2.761 10 5 EFBELO CO[C@@H]1C[C@H](c2nc(C)no2)[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000573870462 479162963 /nfs/dbraw/zinc/16/29/63/479162963.db2.gz WQIPKJGZRAKYIF-QAOXIVLQSA-N 1 2 344.371 2.761 10 5 EFBELO C[C@@H]1CC[C@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CS1(=O)=O ZINC000599108962 479163882 /nfs/dbraw/zinc/16/38/82/479163882.db2.gz XECTXOBCDNQBOT-PWSUYJOCSA-N 1 2 335.385 2.521 10 5 EFBELO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000602082180 479167184 /nfs/dbraw/zinc/16/71/84/479167184.db2.gz BZHCKNNDNXAGDQ-HUUCEWRRSA-N 1 2 328.372 2.859 10 5 EFBELO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000602082180 479167193 /nfs/dbraw/zinc/16/71/93/479167193.db2.gz BZHCKNNDNXAGDQ-HUUCEWRRSA-N 1 2 328.372 2.859 10 5 EFBELO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000593118373 479185019 /nfs/dbraw/zinc/18/50/19/479185019.db2.gz QULVOLXVAKCZLZ-AWEZNQCLSA-N 1 2 325.315 2.573 10 5 EFBELO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000593118373 479185025 /nfs/dbraw/zinc/18/50/25/479185025.db2.gz QULVOLXVAKCZLZ-AWEZNQCLSA-N 1 2 325.315 2.573 10 5 EFBELO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@H]1CS(=O)(=O)c2ccccc21 ZINC000573981871 479187961 /nfs/dbraw/zinc/18/79/61/479187961.db2.gz ZGLCKUOMYDWALI-CABCVRRESA-N 1 2 344.392 2.700 10 5 EFBELO Cc1cccc(NC[C@H]2C[N@H+](Cc3ccncc3)CCO2)c1[N+](=O)[O-] ZINC000599185432 479201212 /nfs/dbraw/zinc/20/12/12/479201212.db2.gz UWVAAENGIUMWEZ-INIZCTEOSA-N 1 2 342.399 2.611 10 5 EFBELO Cc1cccc(NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)c1[N+](=O)[O-] ZINC000599185432 479201219 /nfs/dbraw/zinc/20/12/19/479201219.db2.gz UWVAAENGIUMWEZ-INIZCTEOSA-N 1 2 342.399 2.611 10 5 EFBELO COc1cc(SC[C@@H]2C[N@H+](C)CCO2)c(Cl)cc1[N+](=O)[O-] ZINC000596284566 479237770 /nfs/dbraw/zinc/23/77/70/479237770.db2.gz APEOOBMEOCMJHV-VIFPVBQESA-N 1 2 332.809 2.680 10 5 EFBELO COc1cc(SC[C@@H]2C[N@@H+](C)CCO2)c(Cl)cc1[N+](=O)[O-] ZINC000596284566 479237774 /nfs/dbraw/zinc/23/77/74/479237774.db2.gz APEOOBMEOCMJHV-VIFPVBQESA-N 1 2 332.809 2.680 10 5 EFBELO COCc1cc[nH+]c(NCc2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC000593221662 479246438 /nfs/dbraw/zinc/24/64/38/479246438.db2.gz BFHMSYRXXFSCDJ-UHFFFAOYSA-N 1 2 331.328 2.520 10 5 EFBELO O=C(C[N@@H+]1CC[C@@H](C(F)F)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000611179434 479303520 /nfs/dbraw/zinc/30/35/20/479303520.db2.gz CLKBSSKDWRPKNL-MRVPVSSYSA-N 1 2 333.722 2.774 10 5 EFBELO O=C(C[N@H+]1CC[C@@H](C(F)F)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000611179434 479303527 /nfs/dbraw/zinc/30/35/27/479303527.db2.gz CLKBSSKDWRPKNL-MRVPVSSYSA-N 1 2 333.722 2.774 10 5 EFBELO C[C@@H]1CCC[C@@H](CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])O1 ZINC000596475146 479310367 /nfs/dbraw/zinc/31/03/67/479310367.db2.gz RQDWJEGTNHMIPH-ZBFHGGJFSA-N 1 2 349.431 2.797 10 5 EFBELO Cc1cc(C)c([N+](=O)[O-])c(N[C@H](c2[nH+]ccn2C)C2CCOCC2)n1 ZINC000585785399 479326956 /nfs/dbraw/zinc/32/69/56/479326956.db2.gz FCHDUYSDPNJEBS-AWEZNQCLSA-N 1 2 345.403 2.920 10 5 EFBELO Cc1cc(N2CC[C@@H]3COC[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000596528166 479329148 /nfs/dbraw/zinc/32/91/48/479329148.db2.gz MESVWVSZIQTXTH-HUUCEWRRSA-N 1 2 340.383 2.833 10 5 EFBELO Cc1cc(N2CCC3(COC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000596530272 479330115 /nfs/dbraw/zinc/33/01/15/479330115.db2.gz MRKCGKBNHAYSEU-UHFFFAOYSA-N 1 2 326.356 2.587 10 5 EFBELO C[C@@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000586806003 479358638 /nfs/dbraw/zinc/35/86/38/479358638.db2.gz QFGVCFZMVIZCHX-CHWSQXEVSA-N 1 2 347.415 2.683 10 5 EFBELO C[C@@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000586806003 479358642 /nfs/dbraw/zinc/35/86/42/479358642.db2.gz QFGVCFZMVIZCHX-CHWSQXEVSA-N 1 2 347.415 2.683 10 5 EFBELO Cc1cn2c([nH+]1)C[C@@H](C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)CC2 ZINC000599633989 479362085 /nfs/dbraw/zinc/36/20/85/479362085.db2.gz DQARTOBMJUZEFW-HIFRSBDPSA-N 1 2 342.399 2.848 10 5 EFBELO CC[C@H](NC(=O)Cc1cn2c([nH+]1)CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000593506829 479370765 /nfs/dbraw/zinc/37/07/65/479370765.db2.gz CPEOTKDVPSUNBH-INIZCTEOSA-N 1 2 342.399 2.938 10 5 EFBELO C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H](CCc1ccccc1)C(F)F ZINC000599681566 479388842 /nfs/dbraw/zinc/38/88/42/479388842.db2.gz GHSATKVVGDNSOZ-HNNXBMFYSA-N 1 2 338.358 2.990 10 5 EFBELO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H](CCc1ccccc1)C(F)F ZINC000599681566 479388846 /nfs/dbraw/zinc/38/88/46/479388846.db2.gz GHSATKVVGDNSOZ-HNNXBMFYSA-N 1 2 338.358 2.990 10 5 EFBELO COCc1cc[nH+]c(N[C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000593695676 479426710 /nfs/dbraw/zinc/42/67/10/479426710.db2.gz DMOHWWACIPFMCK-GFCCVEGCSA-N 1 2 344.371 2.965 10 5 EFBELO COc1cc(C[N@@H+]2CCC[C@@H](OC(F)F)C2)c([N+](=O)[O-])cc1OC ZINC000611609637 479428853 /nfs/dbraw/zinc/42/88/53/479428853.db2.gz VZQLNPZBYNHIPI-LLVKDONJSA-N 1 2 346.330 2.816 10 5 EFBELO COc1cc(C[N@H+]2CCC[C@@H](OC(F)F)C2)c([N+](=O)[O-])cc1OC ZINC000611609637 479428863 /nfs/dbraw/zinc/42/88/63/479428863.db2.gz VZQLNPZBYNHIPI-LLVKDONJSA-N 1 2 346.330 2.816 10 5 EFBELO COCc1cc[nH+]c(N[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000593725502 479435269 /nfs/dbraw/zinc/43/52/69/479435269.db2.gz NIYXTSHWTCEJLX-KBPBESRZSA-N 1 2 331.376 2.929 10 5 EFBELO COCc1cc[nH+]c(N[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000593725504 479435282 /nfs/dbraw/zinc/43/52/82/479435282.db2.gz NIYXTSHWTCEJLX-UONOGXRCSA-N 1 2 331.376 2.929 10 5 EFBELO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000618448487 479451756 /nfs/dbraw/zinc/45/17/56/479451756.db2.gz RVBBHCZIAWGVRE-UHFFFAOYSA-N 1 2 347.758 2.855 10 5 EFBELO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000596913659 479485247 /nfs/dbraw/zinc/48/52/47/479485247.db2.gz LPRZEFXSLZCTIP-AWEZNQCLSA-N 1 2 342.399 2.860 10 5 EFBELO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000596913659 479485252 /nfs/dbraw/zinc/48/52/52/479485252.db2.gz LPRZEFXSLZCTIP-AWEZNQCLSA-N 1 2 342.399 2.860 10 5 EFBELO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3cn4cccc(F)c4n3)nc2c1 ZINC000618618675 479516929 /nfs/dbraw/zinc/51/69/29/479516929.db2.gz HRBCADQHATVYEZ-UHFFFAOYSA-N 1 2 340.318 2.548 10 5 EFBELO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000589372641 479519179 /nfs/dbraw/zinc/51/91/79/479519179.db2.gz YKYWSDMCDYKZFL-UHFFFAOYSA-N 1 2 329.360 2.710 10 5 EFBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCOc3ccccc3C2)c1 ZINC000589497290 479534384 /nfs/dbraw/zinc/53/43/84/479534384.db2.gz MHZUGQSKKSAHDN-UHFFFAOYSA-N 1 2 342.351 2.776 10 5 EFBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCOc3ccccc3C2)c1 ZINC000589497290 479534390 /nfs/dbraw/zinc/53/43/90/479534390.db2.gz MHZUGQSKKSAHDN-UHFFFAOYSA-N 1 2 342.351 2.776 10 5 EFBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)Cc2ccc(C)cn2)c1 ZINC000589514130 479535593 /nfs/dbraw/zinc/53/55/93/479535593.db2.gz YRBLQHCTKYVXOD-UHFFFAOYSA-N 1 2 329.356 2.717 10 5 EFBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)Cc2ccc(C)cn2)c1 ZINC000589514130 479535598 /nfs/dbraw/zinc/53/55/98/479535598.db2.gz YRBLQHCTKYVXOD-UHFFFAOYSA-N 1 2 329.356 2.717 10 5 EFBELO COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2CC(C)(C)OC(C)(C)C2)c1 ZINC000589513658 479536052 /nfs/dbraw/zinc/53/60/52/479536052.db2.gz NQISGENHUGFDQN-UHFFFAOYSA-N 1 2 336.388 2.771 10 5 EFBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)c1 ZINC000589520517 479537639 /nfs/dbraw/zinc/53/76/39/479537639.db2.gz WYOABLFQRBKWJF-CVEARBPZSA-N 1 2 348.399 2.771 10 5 EFBELO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)c1 ZINC000589520517 479537642 /nfs/dbraw/zinc/53/76/42/479537642.db2.gz WYOABLFQRBKWJF-CVEARBPZSA-N 1 2 348.399 2.771 10 5 EFBELO CCOc1cc(N2CC[NH+](Cc3cnc(C)o3)CC2)ccc1[N+](=O)[O-] ZINC000600157090 479550854 /nfs/dbraw/zinc/55/08/54/479550854.db2.gz ZIKBDDAMYCUFAB-UHFFFAOYSA-N 1 2 346.387 2.612 10 5 EFBELO O=C(NCCc1ccccc1[N+](=O)[O-])Nc1ccc2[nH+]ccn2c1 ZINC000610326272 480280809 /nfs/dbraw/zinc/28/08/09/480280809.db2.gz DPRCNAUVFNPPFR-UHFFFAOYSA-N 1 2 325.328 2.607 10 5 EFBELO COc1cc(C[N@@H+]2CCC[C@@H]2c2cnn(C)c2)c([N+](=O)[O-])cc1OC ZINC000131882183 533802796 /nfs/dbraw/zinc/80/27/96/533802796.db2.gz TWHMOJJBWOYZMQ-CQSZACIVSA-N 1 2 346.387 2.683 10 5 EFBELO COc1cc(C[N@H+]2CCC[C@@H]2c2cnn(C)c2)c([N+](=O)[O-])cc1OC ZINC000131882183 533802798 /nfs/dbraw/zinc/80/27/98/533802798.db2.gz TWHMOJJBWOYZMQ-CQSZACIVSA-N 1 2 346.387 2.683 10 5 EFBELO CC(C)Cn1cc[nH+]c1CNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000131233083 519522829 /nfs/dbraw/zinc/52/28/29/519522829.db2.gz DAGNEAIFUSXEID-UHFFFAOYSA-N 1 2 345.403 2.566 10 5 EFBELO COc1cc([N+](=O)[O-])ccc1NC(=O)NCc1[nH+]ccn1CC(C)C ZINC000156095233 522978669 /nfs/dbraw/zinc/97/86/69/522978669.db2.gz DQOMKXQFLICQSY-UHFFFAOYSA-N 1 2 347.375 2.778 10 5 EFBELO Cc1ncc(C[NH+]2CCN(Cc3ccc([N+](=O)[O-])cc3C)CC2)s1 ZINC000183332129 534737191 /nfs/dbraw/zinc/73/71/91/534737191.db2.gz GRCHKRKHTWPFAM-UHFFFAOYSA-N 1 2 346.456 2.986 10 5 EFBELO Cc1ncc(CN2CC[NH+](Cc3ccc([N+](=O)[O-])cc3C)CC2)s1 ZINC000183332129 534737195 /nfs/dbraw/zinc/73/71/95/534737195.db2.gz GRCHKRKHTWPFAM-UHFFFAOYSA-N 1 2 346.456 2.986 10 5 EFBELO C[C@@H](C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)c1ccc([N+](=O)[O-])cc1F ZINC000183052955 524117421 /nfs/dbraw/zinc/11/74/21/524117421.db2.gz RODXHVZTQFLQLX-TZMCWYRMSA-N 1 2 346.362 2.725 10 5 EFBELO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCc1ccc[nH+]c1N(C)C ZINC000120133928 524340998 /nfs/dbraw/zinc/34/09/98/524340998.db2.gz FKNIKGONMQWYMV-UHFFFAOYSA-N 1 2 343.387 2.994 10 5 EFBELO Cc1cnn(C[C@H]2C[N@H+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)CCO2)c1 ZINC000245522933 526265088 /nfs/dbraw/zinc/26/50/88/526265088.db2.gz MJSSTBOVLBWFHN-DOTOQJQBSA-N 1 2 344.415 2.870 10 5 EFBELO Cc1cnn(C[C@H]2C[N@@H+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)CCO2)c1 ZINC000245522933 526265090 /nfs/dbraw/zinc/26/50/90/526265090.db2.gz MJSSTBOVLBWFHN-DOTOQJQBSA-N 1 2 344.415 2.870 10 5 EFBELO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCO[C@@H](c3nccs3)C2)cc1 ZINC000195521918 527373300 /nfs/dbraw/zinc/37/33/00/527373300.db2.gz MMUUZPQJYCMRGL-CQSZACIVSA-N 1 2 335.385 2.504 10 5 EFBELO O=[N+]([O-])c1ccc(OCC[N@H+]2CCO[C@@H](c3nccs3)C2)cc1 ZINC000195521918 527373303 /nfs/dbraw/zinc/37/33/03/527373303.db2.gz MMUUZPQJYCMRGL-CQSZACIVSA-N 1 2 335.385 2.504 10 5 EFBELO O=[N+]([O-])c1ccc2oc(C[NH+]3CCC(c4ccn[nH]4)CC3)nc2c1 ZINC000177034168 527381464 /nfs/dbraw/zinc/38/14/64/527381464.db2.gz JYPDURMINCUSTH-UHFFFAOYSA-N 1 2 327.344 2.839 10 5 EFBELO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000174751476 528210286 /nfs/dbraw/zinc/21/02/86/528210286.db2.gz IZOJXSRKQFYKLZ-AWEZNQCLSA-N 1 2 348.321 2.881 10 5 EFBELO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000174751476 528210291 /nfs/dbraw/zinc/21/02/91/528210291.db2.gz IZOJXSRKQFYKLZ-AWEZNQCLSA-N 1 2 348.321 2.881 10 5 EFBELO CC(C)n1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000172332729 528594472 /nfs/dbraw/zinc/59/44/72/528594472.db2.gz VDENEESIUSPHBJ-UHFFFAOYSA-N 1 2 329.404 2.694 10 5 EFBELO CCOC(=O)c1c(C)onc1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000352104572 535673722 /nfs/dbraw/zinc/67/37/22/535673722.db2.gz UVWSISFIADKZCA-UHFFFAOYSA-N 1 2 347.371 2.742 10 5 EFBELO CCOC(=O)c1c(C)onc1C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000352104572 535673726 /nfs/dbraw/zinc/67/37/26/535673726.db2.gz UVWSISFIADKZCA-UHFFFAOYSA-N 1 2 347.371 2.742 10 5 EFBELO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)CCN1CC(F)F ZINC000430209819 535863717 /nfs/dbraw/zinc/86/37/17/535863717.db2.gz RWNZUEORDIDQLM-CYBMUJFWSA-N 1 2 343.374 2.765 10 5 EFBELO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)CCN1CC(F)F ZINC000430209819 535863720 /nfs/dbraw/zinc/86/37/20/535863720.db2.gz RWNZUEORDIDQLM-CYBMUJFWSA-N 1 2 343.374 2.765 10 5 EFBELO CCc1ccc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)s1 ZINC000349199525 536175431 /nfs/dbraw/zinc/17/54/31/536175431.db2.gz MNHMZJHRVCBXCS-UHFFFAOYSA-N 1 2 348.428 2.505 10 5 EFBELO COc1ccc(NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1[N+](=O)[O-] ZINC000360388333 536792050 /nfs/dbraw/zinc/79/20/50/536792050.db2.gz JZFBYPRULJTQDP-UHFFFAOYSA-N 1 2 345.359 2.738 10 5 EFBELO COc1ccc(NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000360388333 536792057 /nfs/dbraw/zinc/79/20/57/536792057.db2.gz JZFBYPRULJTQDP-UHFFFAOYSA-N 1 2 345.359 2.738 10 5 EFBELO O=C(NCC[C@@H]1CC1(F)F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000598784207 546386383 /nfs/dbraw/zinc/38/63/83/546386383.db2.gz SHUMMQNDWSRYBJ-LLVKDONJSA-N 1 2 336.298 2.556 10 5 EFBELO O=C(Nc1ccc2[nH+]ccn2c1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000757879286 575855103 /nfs/dbraw/zinc/85/51/03/575855103.db2.gz DYSXZFRFGGXQKW-UHFFFAOYSA-N 1 2 337.339 2.833 10 5 EFBELO Cc1ncc([N+](=O)[O-])cc1-c1nc(-c2cccnc2-n2cc[nH+]c2)no1 ZINC000761717410 576202975 /nfs/dbraw/zinc/20/29/75/576202975.db2.gz SHIWZLFPRXGAPA-UHFFFAOYSA-N 1 2 349.310 2.596 10 5 EFBELO C[C@@H]1CC2(CCC2)C[N@@H+]1Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000762137043 576264069 /nfs/dbraw/zinc/26/40/69/576264069.db2.gz HANLNIGUBFECDV-SECBINFHSA-N 1 2 329.198 2.776 10 5 EFBELO C[C@@H]1CC2(CCC2)C[N@H+]1Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000762137043 576264070 /nfs/dbraw/zinc/26/40/70/576264070.db2.gz HANLNIGUBFECDV-SECBINFHSA-N 1 2 329.198 2.776 10 5 EFBELO CC(=O)c1c([N+](=O)[O-])cccc1N1CC[NH+](Cc2cccnc2)CC1 ZINC000763205733 576367007 /nfs/dbraw/zinc/36/70/07/576367007.db2.gz CUZIGCZHYIQUPV-UHFFFAOYSA-N 1 2 340.383 2.515 10 5 EFBELO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccc(O)c(Cl)c3)CC2)nc1 ZINC000768265316 577263568 /nfs/dbraw/zinc/26/35/68/577263568.db2.gz WUENXFJKTDOFOW-UHFFFAOYSA-N 1 2 348.790 2.671 10 5 EFBELO CC(C)c1ccc(C[N@@H+]2CCN3C(=O)OCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000770388629 577414591 /nfs/dbraw/zinc/41/45/91/577414591.db2.gz DSINENDQENIGGO-CQSZACIVSA-N 1 2 333.388 2.745 10 5 EFBELO CC(C)c1ccc(C[N@H+]2CCN3C(=O)OCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000770388629 577414592 /nfs/dbraw/zinc/41/45/92/577414592.db2.gz DSINENDQENIGGO-CQSZACIVSA-N 1 2 333.388 2.745 10 5 EFBELO COc1cc(OCC(=O)OCc2ccc(C)[nH+]c2C)ccc1[N+](=O)[O-] ZINC000772049054 581275895 /nfs/dbraw/zinc/27/58/95/581275895.db2.gz RIHOFHOTPYRFAP-UHFFFAOYSA-N 1 2 346.339 2.737 10 5 EFBELO O=C(OCCn1cc[nH+]c1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000773606629 581449812 /nfs/dbraw/zinc/44/98/12/581449812.db2.gz XZBWBTDIRNLZLS-UHFFFAOYSA-N 1 2 333.347 2.735 10 5 EFBELO Cc1nn(C[N@@H+]2CCC[C@@]3(C2)OCc2ccccc23)c(C)c1[N+](=O)[O-] ZINC000774698495 581498220 /nfs/dbraw/zinc/49/82/20/581498220.db2.gz CCQUREYVRQROGV-SFHVURJKSA-N 1 2 342.399 2.887 10 5 EFBELO Cc1nn(C[N@H+]2CCC[C@@]3(C2)OCc2ccccc23)c(C)c1[N+](=O)[O-] ZINC000774698495 581498221 /nfs/dbraw/zinc/49/82/21/581498221.db2.gz CCQUREYVRQROGV-SFHVURJKSA-N 1 2 342.399 2.887 10 5 EFBELO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](C)c1nc(C2CCCCC2)no1 ZINC001169046026 1272623098 /nfs/dbraw/zinc/62/30/98/1272623098.db2.gz VGEWECHNTPXALW-NSHDSACASA-N 1 2 348.407 2.881 10 5 EFBELO CC[C@@H](C)C(=O)COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000785676157 1275142835 /nfs/dbraw/zinc/14/28/35/1275142835.db2.gz QZISRCBMHKWCGR-LLVKDONJSA-N 1 2 331.328 2.553 10 5 EFBELO COc1ccc(C2CC[NH+](Cn3nc(C)c([N+](=O)[O-])c3C)CC2)nc1 ZINC000844711739 1279191479 /nfs/dbraw/zinc/19/14/79/1279191479.db2.gz KGNREICZWMJEJO-UHFFFAOYSA-N 1 2 345.403 2.649 10 5 EFBELO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844748471 1279217115 /nfs/dbraw/zinc/21/71/15/1279217115.db2.gz UMCHDTGRZHUWQM-AWEZNQCLSA-N 1 2 339.298 2.581 10 5 EFBELO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844748471 1279217122 /nfs/dbraw/zinc/21/71/22/1279217122.db2.gz UMCHDTGRZHUWQM-AWEZNQCLSA-N 1 2 339.298 2.581 10 5 EFBELO CC(C)CN1CCO[C@@H](C[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000872017815 1287400488 /nfs/dbraw/zinc/40/04/88/1287400488.db2.gz FHYSWOTYYNFRBZ-KBPBESRZSA-N 1 2 339.411 2.741 10 5 EFBELO Cn1ccnc1[C@H]([NH2+]C[C@@H]1CC(C)(C)CO1)c1ccc([N+](=O)[O-])cc1 ZINC000872106476 1287430205 /nfs/dbraw/zinc/43/02/05/1287430205.db2.gz QVAWLKNQLIMUKR-JKSUJKDBSA-N 1 2 344.415 2.822 10 5 EFBELO Cn1ccnc1[C@@H]([NH2+]C[C@@H]1CC(C)(C)CO1)c1cccc([N+](=O)[O-])c1 ZINC000872107521 1287430639 /nfs/dbraw/zinc/43/06/39/1287430639.db2.gz ZDHPSKSSSUFLMN-HOTGVXAUSA-N 1 2 344.415 2.822 10 5 EFBELO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC(c2c[nH+]cn2C)CC1 ZINC001135203078 1287754675 /nfs/dbraw/zinc/75/46/75/1287754675.db2.gz LMICGADITZBXLA-UHFFFAOYSA-N 1 2 346.362 2.796 10 5 EFBELO C[C@H]1COCC[N@@H+]1CCNc1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001185291209 1290639539 /nfs/dbraw/zinc/63/95/39/1290639539.db2.gz UYJVTPSPLLUESQ-JTQLQIEISA-N 1 2 333.310 2.746 10 5 EFBELO C[C@H]1COCC[N@H+]1CCNc1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001185291209 1290639551 /nfs/dbraw/zinc/63/95/51/1290639551.db2.gz UYJVTPSPLLUESQ-JTQLQIEISA-N 1 2 333.310 2.746 10 5 EFBELO CNc1cc(CNc2c3cc(F)ccc3ncc2[N+](=O)[O-])cc[nH+]1 ZINC001187686457 1291213151 /nfs/dbraw/zinc/21/31/51/1291213151.db2.gz OEQTZWGQYQWNRK-UHFFFAOYSA-N 1 2 327.319 2.753 10 5 EFBELO CC[C@H]([NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C)c1noc(C)n1 ZINC001193237791 1293210659 /nfs/dbraw/zinc/21/06/59/1293210659.db2.gz FEMMZIPTIBDXTJ-LBPRGKRZSA-N 1 2 347.375 2.664 10 5 EFBELO Nc1nnc(C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3Cl)CC2)o1 ZINC001195722083 1294012642 /nfs/dbraw/zinc/01/26/42/1294012642.db2.gz VJGVWEPXZFGBRU-UHFFFAOYSA-N 1 2 337.767 2.593 10 5 EFBELO CS(C)(=O)=NCC1CC[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC001197947428 1294806556 /nfs/dbraw/zinc/80/65/56/1294806556.db2.gz JRGUDQFUZDNTGT-UHFFFAOYSA-N 1 2 343.424 2.674 10 5 EFBELO Cc1cc([C@H]2CCCC[N@@H+]2C[C@H](O)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC001198130938 1294888785 /nfs/dbraw/zinc/88/87/85/1294888785.db2.gz LJUNUPDMUOELQS-SJORKVTESA-N 1 2 330.388 2.887 10 5 EFBELO Cc1cc([C@H]2CCCC[N@H+]2C[C@H](O)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC001198130938 1294888802 /nfs/dbraw/zinc/88/88/02/1294888802.db2.gz LJUNUPDMUOELQS-SJORKVTESA-N 1 2 330.388 2.887 10 5 EFBELO [NH3+]C[C@@H]1CCCc2ccc(C(=O)Nc3ccc(O)c([N+](=O)[O-])c3)cc21 ZINC000852819216 1299899627 /nfs/dbraw/zinc/89/96/27/1299899627.db2.gz BIZSEWAGUVQZCU-ZDUSSCGKSA-N 1 2 341.367 2.931 10 5 EFBELO O=[N+]([O-])c1cn(C[N@@H+]2CCC[C@@]3(CC3(F)F)C2)nc1-c1ccccn1 ZINC000853519865 1300145144 /nfs/dbraw/zinc/14/51/44/1300145144.db2.gz UIQVZLQXNCYARQ-OAHLLOKOSA-N 1 2 349.341 2.932 10 5 EFBELO O=[N+]([O-])c1cn(C[N@H+]2CCC[C@@]3(CC3(F)F)C2)nc1-c1ccccn1 ZINC000853519865 1300145152 /nfs/dbraw/zinc/14/51/52/1300145152.db2.gz UIQVZLQXNCYARQ-OAHLLOKOSA-N 1 2 349.341 2.932 10 5 EFBELO O=C(N[C@H]1CCn2c[nH+]cc21)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000863973847 1302750960 /nfs/dbraw/zinc/75/09/60/1302750960.db2.gz SOHSMJFDTSHRJZ-KRWDZBQOSA-N 1 2 344.374 2.753 10 5 EFBELO CC(C)(C)c1ccc(NC(=O)/C=C/C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000868147896 1304154712 /nfs/dbraw/zinc/15/47/12/1304154712.db2.gz XIUANZAREUFSGD-SNAWJCMRSA-N 1 2 347.415 2.719 10 5 EFBELO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCOc3cccc(F)c3C2)cc1 ZINC000801583791 1310558432 /nfs/dbraw/zinc/55/84/32/1310558432.db2.gz NONVIHLIJTZWOG-MRXNPFEDSA-N 1 2 332.331 2.662 10 5 EFBELO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCOc3cccc(F)c3C2)cc1 ZINC000801583791 1310558439 /nfs/dbraw/zinc/55/84/39/1310558439.db2.gz NONVIHLIJTZWOG-MRXNPFEDSA-N 1 2 332.331 2.662 10 5 EFBELO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cnn(-c2ccccc2)n1 ZINC000801601495 1310581370 /nfs/dbraw/zinc/58/13/70/1310581370.db2.gz HYZSIPJUCVCAAF-UHFFFAOYSA-N 1 2 337.383 2.850 10 5 EFBELO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cnn(-c2ccccc2)n1 ZINC000801601495 1310581374 /nfs/dbraw/zinc/58/13/74/1310581374.db2.gz HYZSIPJUCVCAAF-UHFFFAOYSA-N 1 2 337.383 2.850 10 5 EFBELO CCSc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC000802230371 1311489510 /nfs/dbraw/zinc/48/95/10/1311489510.db2.gz DKEQIRRFWFYVIZ-GFCCVEGCSA-N 1 2 342.392 2.907 10 5 EFBELO CCSc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000802230371 1311489511 /nfs/dbraw/zinc/48/95/11/1311489511.db2.gz DKEQIRRFWFYVIZ-GFCCVEGCSA-N 1 2 342.392 2.907 10 5 EFBELO CSc1ccc([N+](=O)[O-])c(C(=O)O[C@H]2CC[N@H+](CCF)C2)c1 ZINC000802239033 1311495893 /nfs/dbraw/zinc/49/58/93/1311495893.db2.gz RKWLERYFVLDRNF-JTQLQIEISA-N 1 2 328.365 2.517 10 5 EFBELO CSc1ccc([N+](=O)[O-])c(C(=O)O[C@H]2CC[N@@H+](CCF)C2)c1 ZINC000802239033 1311495896 /nfs/dbraw/zinc/49/58/96/1311495896.db2.gz RKWLERYFVLDRNF-JTQLQIEISA-N 1 2 328.365 2.517 10 5 EFBELO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OCCCc1[nH+]ccn1C ZINC000802785652 1312021447 /nfs/dbraw/zinc/02/14/47/1312021447.db2.gz DUWNXTWQIHWDDC-GFCCVEGCSA-N 1 2 349.412 2.985 10 5 EFBELO CCC(=CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3csc([N+](=O)[O-])c3)C[C@H]21)CC ZINC001265713309 1316865512 /nfs/dbraw/zinc/86/55/12/1316865512.db2.gz JOSOEHKIRZLRDL-HALDLXJZSA-N 1 2 349.456 2.949 10 5 EFBELO CCC(=CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3csc([N+](=O)[O-])c3)C[C@H]21)CC ZINC001265713309 1316865513 /nfs/dbraw/zinc/86/55/13/1316865513.db2.gz JOSOEHKIRZLRDL-HALDLXJZSA-N 1 2 349.456 2.949 10 5 EFBELO O=C(CC1CC1)NCC1=CC[N@H+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001284879084 1320578254 /nfs/dbraw/zinc/57/82/54/1320578254.db2.gz YNUJQYMFVGJHAT-UHFFFAOYSA-N 1 2 335.429 2.705 10 5 EFBELO O=C(CC1CC1)NCC1=CC[N@@H+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001284879084 1320578260 /nfs/dbraw/zinc/57/82/60/1320578260.db2.gz YNUJQYMFVGJHAT-UHFFFAOYSA-N 1 2 335.429 2.705 10 5 EFBELO O=C(Nc1cnc(F)c(F)c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001289755000 1321824597 /nfs/dbraw/zinc/82/45/97/1321824597.db2.gz DMRNGYNOUOMOHS-UHFFFAOYSA-N 1 2 345.265 2.706 10 5 EFBELO Nc1c(Cl)cc(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC001292297037 1322053777 /nfs/dbraw/zinc/05/37/77/1322053777.db2.gz BDBAFLQKUVWCLA-UHFFFAOYSA-N 1 2 349.778 2.573 10 5 EFBELO O=c1[nH]ccc(NCc2cccc(Cn3cc[nH+]c3)c2)c1[N+](=O)[O-] ZINC001306929286 1324732776 /nfs/dbraw/zinc/73/27/76/1324732776.db2.gz WILHZVNYOIKMIJ-UHFFFAOYSA-N 1 2 325.328 2.552 10 5 EFBELO O=[N+]([O-])c1cncc(Cl)c1NCc1cccc(Cn2cc[nH+]c2)c1 ZINC001306928955 1324733030 /nfs/dbraw/zinc/73/30/30/1324733030.db2.gz STEMJKORRRNKGR-UHFFFAOYSA-N 1 2 343.774 2.922 10 5 EFBELO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCO[C@H](C(C)(C)C)CC1 ZINC001308168578 1324798033 /nfs/dbraw/zinc/79/80/33/1324798033.db2.gz KNRMKIBDYOOFNV-HNNXBMFYSA-N 1 2 349.431 2.979 10 5 EFBELO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCO[C@H](C(C)(C)C)CC1 ZINC001308168578 1324798039 /nfs/dbraw/zinc/79/80/39/1324798039.db2.gz KNRMKIBDYOOFNV-HNNXBMFYSA-N 1 2 349.431 2.979 10 5 EFBELO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@@H](O)CC[C@@H](O)c1ccccc1)C2 ZINC001332650868 1330995640 /nfs/dbraw/zinc/99/56/40/1330995640.db2.gz RMERNVUYFHGNSN-RBUKOAKNSA-N 1 2 342.395 2.785 10 5 EFBELO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H](O)CC[C@@H](O)c1ccccc1)C2 ZINC001332650868 1330995645 /nfs/dbraw/zinc/99/56/45/1330995645.db2.gz RMERNVUYFHGNSN-RBUKOAKNSA-N 1 2 342.395 2.785 10 5 EFBELO COc1ccc2c(c1)C[C@H](C[N@@H+]1Cc3ccc([N+](=O)[O-])cc3C1)O2 ZINC001335538057 1331370061 /nfs/dbraw/zinc/37/00/61/1331370061.db2.gz ZNMZSTICDOJNCO-QGZVFWFLSA-N 1 2 326.352 2.923 10 5 EFBELO COc1ccc2c(c1)C[C@H](C[N@H+]1Cc3ccc([N+](=O)[O-])cc3C1)O2 ZINC001335538057 1331370066 /nfs/dbraw/zinc/37/00/66/1331370066.db2.gz ZNMZSTICDOJNCO-QGZVFWFLSA-N 1 2 326.352 2.923 10 5 EFBELO C[C@H]([NH2+]Cc1c(Br)cccc1[N+](=O)[O-])c1cn[nH]c1 ZINC001341080184 1332232484 /nfs/dbraw/zinc/23/24/84/1332232484.db2.gz WXMMOKOTYKUYAI-QMMMGPOBSA-N 1 2 325.166 2.931 10 5 EFBELO CO[C@@H]1CCCC[C@@H]1OC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001344322202 1332441265 /nfs/dbraw/zinc/44/12/65/1332441265.db2.gz JRBJTBQQNLITPK-CVEARBPZSA-N 1 2 345.355 2.895 10 5 EFBELO C[C@H](C(=O)N1CCC(Cc2c[nH]c[nH+]2)CC1)c1cccc([N+](=O)[O-])c1 ZINC001348022703 1332794085 /nfs/dbraw/zinc/79/40/85/1332794085.db2.gz UAJIFLKWWXHPIJ-ZDUSSCGKSA-N 1 2 342.399 2.903 10 5 EFBELO CN(Cc1ccco1)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001350599567 1333101610 /nfs/dbraw/zinc/10/16/10/1333101610.db2.gz ZMPYTSNKQPYANA-UHFFFAOYSA-N 1 2 326.312 2.646 10 5 EFBELO Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)n1 ZINC001351065313 1333174982 /nfs/dbraw/zinc/17/49/82/1333174982.db2.gz MCWMOXPJIDXROS-UHFFFAOYSA-N 1 2 341.302 2.875 10 5 EFBELO O=C(N[C@@H](Cn1cc[nH+]c1)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC001438864697 1388872100 /nfs/dbraw/zinc/87/21/00/1388872100.db2.gz XMVYZZDPXAVIDL-INIZCTEOSA-N 1 2 336.351 2.963 10 5 EFBELO CN(CCCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1cccc[nH+]1 ZINC001455154086 1394569155 /nfs/dbraw/zinc/56/91/55/1394569155.db2.gz OLFADGBSLJPZNC-UHFFFAOYSA-N 1 2 348.790 2.900 10 5 EFBELO CCOc1ccc(C(=O)NCc2c[nH]c(C(C)C)[nH+]2)cc1[N+](=O)[O-] ZINC001456346506 1394672629 /nfs/dbraw/zinc/67/26/29/1394672629.db2.gz MQSDHZBUDVGQMK-UHFFFAOYSA-N 1 2 332.360 2.770 10 5 EFBELO CCOc1ccc(C(=O)NCc2c[nH+]c(C(C)C)[nH]2)cc1[N+](=O)[O-] ZINC001456346506 1394672635 /nfs/dbraw/zinc/67/26/35/1394672635.db2.gz MQSDHZBUDVGQMK-UHFFFAOYSA-N 1 2 332.360 2.770 10 5 EFBELO Cc1[nH]c([C@@H]2CCCN2C(=O)Cc2cccc(F)c2[N+](=O)[O-])[nH+]c1C ZINC001471859551 1397216276 /nfs/dbraw/zinc/21/62/76/1397216276.db2.gz BOJUCWHLOGRXKJ-AWEZNQCLSA-N 1 2 346.362 2.980 10 5 EFBELO Cc1[nH]c([C@H]2CCCN2C(=O)Cc2ccc(F)cc2[N+](=O)[O-])[nH+]c1C ZINC001471859567 1397216532 /nfs/dbraw/zinc/21/65/32/1397216532.db2.gz BTIVNPYBXQCYFQ-CQSZACIVSA-N 1 2 346.362 2.980 10 5 EFBELO O=[N+]([O-])c1cnc(NCc2cccc(Cn3cc[nH+]c3)c2)c(F)c1 ZINC001472657114 1397266772 /nfs/dbraw/zinc/26/67/72/1397266772.db2.gz ZMMALFJZXYUUQO-UHFFFAOYSA-N 1 2 327.319 2.986 10 5 EFBELO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(c2ncco2)CC1 ZINC001473703345 1397323279 /nfs/dbraw/zinc/32/32/79/1397323279.db2.gz IXHFKJUZHPORMS-LBPRGKRZSA-N 1 2 344.371 2.789 10 5 EFBELO COc1ccc(C[NH2+][C@H](CO)c2cc(F)ccc2F)cc1[N+](=O)[O-] ZINC001473885387 1397343879 /nfs/dbraw/zinc/34/38/79/1397343879.db2.gz UTKQKVKVWFADGM-CQSZACIVSA-N 1 2 338.310 2.705 10 5 EFBELO CC(F)(F)C(=O)NC1(C)CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001499965874 1402872518 /nfs/dbraw/zinc/87/25/18/1402872518.db2.gz YMQAEMSONHBZFP-UHFFFAOYSA-N 1 2 347.387 2.782 10 5 EFBELO O=C(NOc1ccccc1F)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001558226644 1415166757 /nfs/dbraw/zinc/16/67/57/1415166757.db2.gz PXVFFGQNAJSARZ-UHFFFAOYSA-N 1 2 342.286 2.643 10 5 EFBELO CCOC(=O)[C@H](CC)[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001559765939 1415254530 /nfs/dbraw/zinc/25/45/30/1415254530.db2.gz SROIDIAYZQSQIE-INIZCTEOSA-N 1 2 336.388 2.780 10 5 EFBELO CCOC(=O)[C@H](CC)[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001559765939 1415254536 /nfs/dbraw/zinc/25/45/36/1415254536.db2.gz SROIDIAYZQSQIE-INIZCTEOSA-N 1 2 336.388 2.780 10 5 EFBELO C[C@@](CO)([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1cccc([N+](=O)[O-])c1 ZINC001560066271 1415262365 /nfs/dbraw/zinc/26/23/65/1415262365.db2.gz OOFQMGRCMJVSKC-INIZCTEOSA-N 1 2 349.318 2.639 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCO[C@@H](C(C)(C)C)CC1 ZINC001560235850 1415269150 /nfs/dbraw/zinc/26/91/50/1415269150.db2.gz XLAYROQWSPRCOK-MRXNPFEDSA-N 1 2 349.431 2.979 10 5 EFBELO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCO[C@@H](C(C)(C)C)CC1 ZINC001560235850 1415269152 /nfs/dbraw/zinc/26/91/52/1415269152.db2.gz XLAYROQWSPRCOK-MRXNPFEDSA-N 1 2 349.431 2.979 10 5 EFBELO CNc1cc(CNC(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])cc[nH+]1 ZINC001565297554 1415393168 /nfs/dbraw/zinc/39/31/68/1415393168.db2.gz CQYKUGISOPUJAV-LLVKDONJSA-N 1 2 329.360 2.592 10 5 EFBELO CC[N@H+](CCNC(=O)c1ccc(C)nc1)Cc1csc([N+](=O)[O-])c1 ZINC001567326482 1416074040 /nfs/dbraw/zinc/07/40/40/1416074040.db2.gz KXLTZSJDICVOKQ-UHFFFAOYSA-N 1 2 348.428 2.612 10 5 EFBELO CC[N@@H+](CCNC(=O)c1ccc(C)nc1)Cc1csc([N+](=O)[O-])c1 ZINC001567326482 1416074043 /nfs/dbraw/zinc/07/40/43/1416074043.db2.gz KXLTZSJDICVOKQ-UHFFFAOYSA-N 1 2 348.428 2.612 10 5 EFBELO C[C@@H]1CC=CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000890767484 713455894 /nfs/dbraw/zinc/45/58/94/713455894.db2.gz ZNSIZVCBEZJZHU-TZMCWYRMSA-N 1 2 326.356 2.865 10 5 EFBELO O=[N+]([O-])c1cc2c(cc1C[NH2+]Cc1cnc(Cl)s1)OCCO2 ZINC000895155410 723480749 /nfs/dbraw/zinc/48/07/49/723480749.db2.gz FMQPDLSDQJHDEN-UHFFFAOYSA-N 1 2 341.776 2.766 10 5 EFBELO O=C(C[N@@H+]1CCCSCC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000129264962 727342006 /nfs/dbraw/zinc/34/20/06/727342006.db2.gz FIJIMNRHXLBFIT-UHFFFAOYSA-N 1 2 329.809 2.626 10 5 EFBELO O=C(C[N@H+]1CCCSCC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000129264962 727342009 /nfs/dbraw/zinc/34/20/09/727342009.db2.gz FIJIMNRHXLBFIT-UHFFFAOYSA-N 1 2 329.809 2.626 10 5 EFBELO C/C(=C/C(=O)NCC(C)(C)n1cc[nH+]c1)c1ccc([N+](=O)[O-])cc1 ZINC000912615885 727730301 /nfs/dbraw/zinc/73/03/01/727730301.db2.gz UHPAWVXCJPQRLT-RAXLEYEMSA-N 1 2 328.372 2.746 10 5 EFBELO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000912652214 727732704 /nfs/dbraw/zinc/73/27/04/727732704.db2.gz CNIJDWOKJVGRAX-ZIAGYGMSSA-N 1 2 326.356 2.791 10 5 EFBELO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000912652214 727732706 /nfs/dbraw/zinc/73/27/06/727732706.db2.gz CNIJDWOKJVGRAX-ZIAGYGMSSA-N 1 2 326.356 2.791 10 5 EFBELO C[C@@H](CC(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)n1cc[nH+]c1 ZINC000913385505 727830840 /nfs/dbraw/zinc/83/08/40/727830840.db2.gz CXTBNQJEGUAOLT-VIFPVBQESA-N 1 2 340.742 2.851 10 5 EFBELO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000913539135 727869269 /nfs/dbraw/zinc/86/92/69/727869269.db2.gz GDKNXVAYSVYVGP-BETUJISGSA-N 1 2 331.397 2.728 10 5 EFBELO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000913539135 727869274 /nfs/dbraw/zinc/86/92/74/727869274.db2.gz GDKNXVAYSVYVGP-BETUJISGSA-N 1 2 331.397 2.728 10 5 EFBELO CCOCCCCOC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000174563240 728669924 /nfs/dbraw/zinc/66/99/24/728669924.db2.gz BSUCMGVVUXWWRW-UHFFFAOYSA-N 1 2 333.344 2.754 10 5 EFBELO