smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1ccc(O)cc1/C=C/c1ccc2cccc(O)c2n1 ZINC000448112572 1018537658 /nfs/dbraw/zinc/53/76/58/1018537658.db2.gz FJWDGNHJHMWZKY-FNORWQNLSA-N 0 2 308.293 3.725 20 5 DHBDLN Cc1csc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1Cl ZINC000235965423 1020418702 /nfs/dbraw/zinc/41/87/02/1020418702.db2.gz UDZUXDVUGZNXOC-UHFFFAOYSA-N 0 2 312.734 3.576 20 5 DHBDLN Cc1ccc(NC(=O)c2cccc(Cl)c2O)cc1[N+](=O)[O-] ZINC000775632328 1036119213 /nfs/dbraw/zinc/11/92/13/1036119213.db2.gz XWACSZRRYHEGRZ-UHFFFAOYSA-N 0 2 306.705 3.515 20 5 DHBDLN Cc1csc(CSCCOc2ccccc2[N+](=O)[O-])n1 ZINC000088306504 185245084 /nfs/dbraw/zinc/24/50/84/185245084.db2.gz KLEMJGLARFYGOS-UHFFFAOYSA-N 0 2 310.400 3.672 20 5 DHBDLN CC(C)[C@@H]1CCC[C@@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000560627715 332371697 /nfs/dbraw/zinc/37/16/97/332371697.db2.gz CYOFRFDSNHFTEQ-CHWSQXEVSA-N 0 2 320.389 3.635 20 5 DHBDLN CN(C(=O)c1cc([N+](=O)[O-])ccc1O)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000416283033 334659608 /nfs/dbraw/zinc/65/96/08/334659608.db2.gz DNYUAWFEPJOUQT-ZIAGYGMSSA-N 0 2 320.389 3.587 20 5 DHBDLN CCc1ccccc1-c1noc(-c2ccc([N+](=O)[O-])c(O)c2)n1 ZINC000445180814 338495298 /nfs/dbraw/zinc/49/52/98/338495298.db2.gz CWDULZRFFHQKAJ-UHFFFAOYSA-N 0 2 311.297 3.580 20 5 DHBDLN O=[N+]([O-])c1ccc(-c2noc(-c3ccc(O)c(Cl)c3)n2)s1 ZINC000445472076 338495949 /nfs/dbraw/zinc/49/59/49/338495949.db2.gz NMLJFIHYGWLZNT-UHFFFAOYSA-N 0 2 323.717 3.732 20 5 DHBDLN CSc1cccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])c1C ZINC000354532165 336473797 /nfs/dbraw/zinc/47/37/97/336473797.db2.gz AFQMGSGQYUFPQN-UHFFFAOYSA-N 0 2 318.354 3.583 20 5 DHBDLN O=C(Nc1cccc2ccsc21)c1ccc(O)c([N+](=O)[O-])c1 ZINC000436975725 338296437 /nfs/dbraw/zinc/29/64/37/338296437.db2.gz MGKSVTZKZBZKOF-UHFFFAOYSA-N 0 2 314.322 3.767 20 5 DHBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1csc2ccccc12 ZINC000126238801 340825504 /nfs/dbraw/zinc/82/55/04/340825504.db2.gz ZWBDZHXWQBJRFA-UHFFFAOYSA-N 0 2 314.322 3.767 20 5 DHBDLN C[C@@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])[C@H](C)C1CCCCC1 ZINC000552053990 341365472 /nfs/dbraw/zinc/36/54/72/341365472.db2.gz DYRFAJOHMMLSEJ-NWDGAFQWSA-N 0 2 320.389 3.635 20 5 DHBDLN O=[N+]([O-])c1cc(-c2nc3cc(C(F)(F)F)ccc3[nH]2)ccc1O ZINC000261367118 1015307234 /nfs/dbraw/zinc/30/72/34/1015307234.db2.gz HETGVOYYLWDXFH-UHFFFAOYSA-N 0 2 323.230 3.863 20 5 DHBDLN CCC[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)c1ccccc1 ZINC000216597046 1012025705 /nfs/dbraw/zinc/02/57/05/1012025705.db2.gz MFIYWSDGKGNVRG-CQSZACIVSA-N 0 2 314.341 3.823 20 5 DHBDLN CC(C)c1cccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])c1 ZINC000318546682 1020046427 /nfs/dbraw/zinc/04/64/27/1020046427.db2.gz MKPCSIAKGZAKBM-UHFFFAOYSA-N 0 2 300.314 3.676 20 5 DHBDLN Cc1cccc(C(=O)Nc2cc(Cl)c(O)cc2F)c1[N+](=O)[O-] ZINC000805258673 1025568999 /nfs/dbraw/zinc/56/89/99/1025568999.db2.gz KYCMZLHUVBEDRN-UHFFFAOYSA-N 0 2 324.695 3.654 20 5 DHBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)C1CC2(C1)CCCCC2 ZINC000597491513 1037312181 /nfs/dbraw/zinc/31/21/81/1037312181.db2.gz MCXLWMOBVKWNKI-UHFFFAOYSA-N 0 2 304.346 3.599 20 5 DHBDLN CC[C@H](C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1ccccc1 ZINC000005476450 181247941 /nfs/dbraw/zinc/24/79/41/181247941.db2.gz NAVHHAVLTBRQQE-AWEZNQCLSA-N 0 2 314.341 3.736 20 5 DHBDLN CN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@H]1CCC[C@H]1C(C)(C)C ZINC000416320004 334663070 /nfs/dbraw/zinc/66/30/70/334663070.db2.gz ZALHIUFLNJTITP-OLZOCXBDSA-N 0 2 320.389 3.587 20 5 DHBDLN CC(C)CC1(C)CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000356448463 336550316 /nfs/dbraw/zinc/55/03/16/336550316.db2.gz UWZMFZYJYGHUSM-UHFFFAOYSA-N 0 2 320.389 3.589 20 5 DHBDLN CC(C)c1ccccc1N(C)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000426179790 338022338 /nfs/dbraw/zinc/02/23/38/338022338.db2.gz VCBQUTCCXSIQMJ-UHFFFAOYSA-N 0 2 314.341 3.700 20 5 DHBDLN CSc1ccc2[nH]c(-c3ccc([N+](=O)[O-])c(O)c3)nc2c1 ZINC000435683997 338245128 /nfs/dbraw/zinc/24/51/28/338245128.db2.gz RFRQRMDTSTVSHO-UHFFFAOYSA-N 0 2 301.327 3.566 20 5 DHBDLN Cc1ccc(Cl)cc1N(C)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436709584 338283648 /nfs/dbraw/zinc/28/36/48/338283648.db2.gz YJUXBMRBUCNFCJ-UHFFFAOYSA-N 0 2 320.732 3.539 20 5 DHBDLN Cc1ccc(Cl)c(NC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000436884437 338291839 /nfs/dbraw/zinc/29/18/39/338291839.db2.gz CNWXHXPSHUOQQM-UHFFFAOYSA-N 0 2 306.705 3.515 20 5 DHBDLN CCN(C(=O)c1ccc([N+](=O)[O-])cc1O)c1cccc(C)c1C ZINC000436958369 338295924 /nfs/dbraw/zinc/29/59/24/338295924.db2.gz HGZFKJWPTXIEPY-UHFFFAOYSA-N 0 2 314.341 3.584 20 5 DHBDLN CCCN(CC1CCCCC1)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436962531 338296103 /nfs/dbraw/zinc/29/61/03/338296103.db2.gz FHBZKGASOJESKO-UHFFFAOYSA-N 0 2 320.389 3.733 20 5 DHBDLN CC(C)CC[C@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436970254 338296252 /nfs/dbraw/zinc/29/62/52/338296252.db2.gz CLNFYEUAQUIUAZ-CYBMUJFWSA-N 0 2 320.389 3.731 20 5 DHBDLN Cc1c(F)ccc(Cl)c1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000476489476 339477405 /nfs/dbraw/zinc/47/74/05/339477405.db2.gz HNMGEXLTNGUAJS-UHFFFAOYSA-N 0 2 324.695 3.654 20 5 DHBDLN C[C@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1O)c1ccc(F)cc1 ZINC000089531710 341405302 /nfs/dbraw/zinc/40/53/02/341405302.db2.gz ILNYKLBZVGRHCE-SNVBAGLBSA-N 0 2 318.304 3.572 20 5 DHBDLN O=[N+]([O-])c1cc(/C=C\c2ccc3cccc(O)c3n2)ccc1O ZINC000098021254 1015333269 /nfs/dbraw/zinc/33/32/69/1015333269.db2.gz VQZQIIPEQUTIDV-DAXSKMNVSA-N 0 2 308.293 3.725 20 5 DHBDLN C[C@@H](CC(=O)Nc1ccc(O)c([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000155965940 1029346964 /nfs/dbraw/zinc/34/69/64/1029346964.db2.gz PGCFYKYGIROPSQ-JTQLQIEISA-N 0 2 318.304 3.572 20 5 DHBDLN C[C@@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000491581222 1036604162 /nfs/dbraw/zinc/60/41/62/1036604162.db2.gz KGUAAOCXQUISKE-NEPJUHHUSA-N 0 2 320.389 3.587 20 5 DHBDLN C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000491581225 1036606400 /nfs/dbraw/zinc/60/64/00/1036606400.db2.gz KGUAAOCXQUISKE-VXGBXAGGSA-N 0 2 320.389 3.587 20 5 DHBDLN CC(C)c1cccc(N(C)C(=O)c2ccc(O)c([N+](=O)[O-])c2)c1 ZINC000183487018 333058313 /nfs/dbraw/zinc/05/83/13/333058313.db2.gz ZKWMUMPYMRCHFL-UHFFFAOYSA-N 0 2 314.341 3.700 20 5 DHBDLN CCC1(CC)CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000436832044 338288961 /nfs/dbraw/zinc/28/89/61/338288961.db2.gz RLCVEQIBSIJMID-UHFFFAOYSA-N 0 2 320.389 3.733 20 5 DHBDLN O=C(Nc1ccc(-c2ccc[nH]2)cc1)c1ccc([N+](=O)[O-])cc1O ZINC000436893940 338292349 /nfs/dbraw/zinc/29/23/49/338292349.db2.gz QQLUQEIQYISJBX-UHFFFAOYSA-N 0 2 323.308 3.548 20 5 DHBDLN CC(C)CC[C@@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436970256 338296271 /nfs/dbraw/zinc/29/62/71/338296271.db2.gz CLNFYEUAQUIUAZ-ZDUSSCGKSA-N 0 2 320.389 3.731 20 5 DHBDLN CC(C)CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)C(C)(C)C ZINC000522398002 340600771 /nfs/dbraw/zinc/60/07/71/340600771.db2.gz CJXWVNFJBQFFMR-OAHLLOKOSA-N 0 2 322.405 3.881 20 5 DHBDLN Cc1ccc(Cl)c(NC(=O)c2cc(O)ccc2[N+](=O)[O-])c1 ZINC000232214642 340630435 /nfs/dbraw/zinc/63/04/35/340630435.db2.gz MPXMIOHQNQAOFO-UHFFFAOYSA-N 0 2 306.705 3.515 20 5 DHBDLN CC(C)CC1(CNC(=O)c2cccc(O)c2[N+](=O)[O-])CCCC1 ZINC000539488024 340886622 /nfs/dbraw/zinc/88/66/22/340886622.db2.gz CBAFVBVMHUZVRY-UHFFFAOYSA-N 0 2 320.389 3.637 20 5 DHBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc2ccccc2c1 ZINC000059354245 1017771179 /nfs/dbraw/zinc/77/11/79/1017771179.db2.gz ATQMYEKWWPTKSG-UHFFFAOYSA-N 0 2 308.293 3.706 20 5 DHBDLN O=[N+]([O-])c1cccc(-c2noc(-c3ccc(Cl)cc3O)n2)c1 ZINC000316049568 1019895631 /nfs/dbraw/zinc/89/56/31/1019895631.db2.gz NNLBDUAERLBQSS-UHFFFAOYSA-N 0 2 317.688 3.671 20 5 DHBDLN O=C(CC/C=C/c1ccccc1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000183912965 1022541562 /nfs/dbraw/zinc/54/15/62/1022541562.db2.gz MLNQAIYMWKBWEB-XBXARRHUSA-N 0 2 312.325 3.733 20 5 DHBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@H](F)CC1CCCCC1 ZINC000793801302 1025165985 /nfs/dbraw/zinc/16/59/85/1025165985.db2.gz WERHYNXJMFKDFF-GFCCVEGCSA-N 0 2 310.325 3.547 20 5 DHBDLN CCCc1cc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)sc1C ZINC000483446656 1035269996 /nfs/dbraw/zinc/26/99/96/1035269996.db2.gz XWZCROWSDAOMCS-UHFFFAOYSA-N 0 2 320.370 3.875 20 5 DHBDLN Cc1ccc(Cl)cc1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000776195141 1037781615 /nfs/dbraw/zinc/78/16/15/1037781615.db2.gz PGGDPNUILCCGER-UHFFFAOYSA-N 0 2 306.705 3.515 20 5 DHBDLN CC(C)[C@H](C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000166074618 1038639066 /nfs/dbraw/zinc/63/90/66/1038639066.db2.gz GUZQEICFMOJLQV-INIZCTEOSA-N 0 2 314.341 3.679 20 5 DHBDLN Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000122145209 132161898 /nfs/dbraw/zinc/16/18/98/132161898.db2.gz JNMUDWDYOPJSEH-ZDUSSCGKSA-N 0 2 324.384 3.604 20 5 DHBDLN CC[C@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1O)c1ccccc1 ZINC000559921682 332294164 /nfs/dbraw/zinc/29/41/64/332294164.db2.gz ALTBRXGOJMBEBW-GFCCVEGCSA-N 0 2 314.341 3.823 20 5 DHBDLN CCCc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436860127 338290145 /nfs/dbraw/zinc/29/01/45/338290145.db2.gz DVEKETNLBCSWQK-UHFFFAOYSA-N 0 2 300.314 3.505 20 5 DHBDLN CCN(C(=O)c1ccc(O)c([N+](=O)[O-])c1)c1cccc(C)c1C ZINC000436955140 338295629 /nfs/dbraw/zinc/29/56/29/338295629.db2.gz ZHWJWWFEEFUEJI-UHFFFAOYSA-N 0 2 314.341 3.584 20 5 DHBDLN CCc1ccc(CC)c(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000439096919 338360892 /nfs/dbraw/zinc/36/08/92/338360892.db2.gz XPYSIRLHQDMHSC-UHFFFAOYSA-N 0 2 314.341 3.678 20 5 DHBDLN C[C@@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])[C@@H](C)C1CCCCC1 ZINC000552053992 341365558 /nfs/dbraw/zinc/36/55/58/341365558.db2.gz DYRFAJOHMMLSEJ-VXGBXAGGSA-N 0 2 320.389 3.635 20 5 DHBDLN Cc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c(Cl)cc1F ZINC000092547116 341450139 /nfs/dbraw/zinc/45/01/39/341450139.db2.gz JUOPDTGJPOLTHP-UHFFFAOYSA-N 0 2 324.695 3.654 20 5 DHBDLN C[C@H](CCC(=O)Nc1cc([N+](=O)[O-])ccc1O)c1ccccc1 ZINC000537767092 1032913504 /nfs/dbraw/zinc/91/35/04/1032913504.db2.gz CGWAETSTWZAANN-GFCCVEGCSA-N 0 2 314.341 3.823 20 5 DHBDLN Cc1ccccc1C(C)(C)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000180767583 1021160042 /nfs/dbraw/zinc/16/00/42/1021160042.db2.gz PSQBQLKQSUBPNA-UHFFFAOYSA-N 0 2 314.341 3.525 20 5 DHBDLN CN(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000416288132 1022237079 /nfs/dbraw/zinc/23/70/79/1022237079.db2.gz KPMHQVRGVSYWRE-UONOGXRCSA-N 0 2 320.389 3.587 20 5 DHBDLN C[C@H](CC(=O)Nc1ccc(O)c([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000155966056 1029347563 /nfs/dbraw/zinc/34/75/63/1029347563.db2.gz PGCFYKYGIROPSQ-SNVBAGLBSA-N 0 2 318.304 3.572 20 5 DHBDLN CC(C)(C)[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000324496708 336222975 /nfs/dbraw/zinc/22/29/75/336222975.db2.gz KDGBYVJZWSJIPW-CYBMUJFWSA-N 0 2 320.389 3.589 20 5 DHBDLN C[C@@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436750128 338285439 /nfs/dbraw/zinc/28/54/39/338285439.db2.gz VQQJEYPALXUVAQ-NEPJUHHUSA-N 0 2 320.389 3.587 20 5 DHBDLN Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c(Cl)c1C ZINC000544030204 341067298 /nfs/dbraw/zinc/06/72/98/341067298.db2.gz CWLPVHUGICGPPX-UHFFFAOYSA-N 0 2 320.732 3.823 20 5 DHBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1occc1-c1ccccc1 ZINC000346651781 1016484884 /nfs/dbraw/zinc/48/48/84/1016484884.db2.gz IAXFTYJOQGMZRC-UHFFFAOYSA-N 0 2 324.292 3.813 20 5 DHBDLN O=C(Cc1ccc2ccccc2c1)Nc1cc([N+](=O)[O-])ccc1O ZINC000127803354 1016892777 /nfs/dbraw/zinc/89/27/77/1016892777.db2.gz ZRCLIPPPGMMSHZ-UHFFFAOYSA-N 0 2 322.320 3.635 20 5 DHBDLN Cc1ccccc1C(C)(C)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000186021666 1016942544 /nfs/dbraw/zinc/94/25/44/1016942544.db2.gz NRQYIOKIIKYRDG-UHFFFAOYSA-N 0 2 314.341 3.525 20 5 DHBDLN C[C@@H](CCC(=O)Nc1cc([N+](=O)[O-])ccc1O)c1ccccc1 ZINC000537767095 1032913109 /nfs/dbraw/zinc/91/31/09/1032913109.db2.gz CGWAETSTWZAANN-LBPRGKRZSA-N 0 2 314.341 3.823 20 5 DHBDLN Cc1ccc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c(F)c1Cl ZINC000790020820 1024207860 /nfs/dbraw/zinc/20/78/60/1024207860.db2.gz NFKCQOZVJFMDNO-UHFFFAOYSA-N 0 2 324.695 3.654 20 5 DHBDLN Cc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c(C)n1C(C)C ZINC000089540784 1026054651 /nfs/dbraw/zinc/05/46/51/1026054651.db2.gz CCBDTFQSVKUWHB-UHFFFAOYSA-N 0 2 317.345 3.552 20 5 DHBDLN CC(C)(C)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC001135565895 1028865147 /nfs/dbraw/zinc/86/51/47/1028865147.db2.gz HURTTYIYMTXKSI-UHFFFAOYSA-N 0 2 314.341 3.850 20 5 DHBDLN CC[C@@H](C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1ccccc1 ZINC000005476848 181247866 /nfs/dbraw/zinc/24/78/66/181247866.db2.gz NAVHHAVLTBRQQE-CQSZACIVSA-N 0 2 314.341 3.736 20 5 DHBDLN CC(C)[C@H]1CCC[C@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000560627725 332371692 /nfs/dbraw/zinc/37/16/92/332371692.db2.gz CYOFRFDSNHFTEQ-STQMWFEESA-N 0 2 320.389 3.635 20 5 DHBDLN Cc1cc(Cl)ccc1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000183327391 333055284 /nfs/dbraw/zinc/05/52/84/333055284.db2.gz JQMLMLHBIASCRH-UHFFFAOYSA-N 0 2 306.705 3.515 20 5 DHBDLN Cc1ccc(Cl)cc1N(C)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000563970311 336389033 /nfs/dbraw/zinc/38/90/33/336389033.db2.gz DGJXXMWVAXJABY-UHFFFAOYSA-N 0 2 320.732 3.539 20 5 DHBDLN CC(C)(CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)C1=CCCCC1 ZINC000478912084 339524457 /nfs/dbraw/zinc/52/44/57/339524457.db2.gz PIEFXJNSMWGPOX-UHFFFAOYSA-N 0 2 318.373 3.557 20 5 DHBDLN CCCCc1ccc(NC(=O)c2cccc(O)c2[N+](=O)[O-])cc1 ZINC000507971492 340236719 /nfs/dbraw/zinc/23/67/19/340236719.db2.gz SBMFQENZMQDRIU-UHFFFAOYSA-N 0 2 314.341 3.895 20 5 DHBDLN CCc1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1CC ZINC000552410465 341392227 /nfs/dbraw/zinc/39/22/27/341392227.db2.gz BCSPWGIKOQZJOR-UHFFFAOYSA-N 0 2 314.341 3.678 20 5 DHBDLN C[C@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1O)c1cccc(F)c1 ZINC000089540991 1032695531 /nfs/dbraw/zinc/69/55/31/1032695531.db2.gz VJCJCYVCBJDYEE-SNVBAGLBSA-N 0 2 318.304 3.572 20 5 DHBDLN O=C(CC/C=C\c1ccccc1)Nc1cc([N+](=O)[O-])ccc1O ZINC000255217274 1019344713 /nfs/dbraw/zinc/34/47/13/1019344713.db2.gz VNLMKSZWPNQZKV-YWEYNIOJSA-N 0 2 312.325 3.733 20 5 DHBDLN O=C(/C=C/c1ccc(Cl)cc1)Nc1cc([N+](=O)[O-])ccc1O ZINC000075284906 1021999237 /nfs/dbraw/zinc/99/92/37/1021999237.db2.gz 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Cn1c2ccc(Cl)cc2nc1-c1ccc(O)c([N+](=O)[O-])c1 ZINC000436655913 338281823 /nfs/dbraw/zinc/28/18/23/338281823.db2.gz KNEMQAXEUFULAE-UHFFFAOYSA-N 0 2 303.705 3.508 20 5 DHBDLN CC(C)C[C@@H]1CCCCCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436965613 338296111 /nfs/dbraw/zinc/29/61/11/338296111.db2.gz LCGMISFMAYKIRF-ZDUSSCGKSA-N 0 2 320.389 3.731 20 5 DHBDLN O=[N+]([O-])c1ccc(/C=C/c2ccc3cccc(O)c3n2)cc1O ZINC000498304508 339325335 /nfs/dbraw/zinc/32/53/35/339325335.db2.gz FQMAWZLAJJXMCG-QPJJXVBHSA-N 0 2 308.293 3.725 20 5 DHBDLN CC(C)c1cccc(NC(=O)c2cccc(O)c2[N+](=O)[O-])c1 ZINC000538834284 340856489 /nfs/dbraw/zinc/85/64/89/340856489.db2.gz HHVWKSAUZQAINE-UHFFFAOYSA-N 0 2 300.314 3.676 20 5 DHBDLN Cc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)ccc1Cl ZINC000221011616 1016911675 /nfs/dbraw/zinc/91/16/75/1016911675.db2.gz DIJVOSUKVITATI-UHFFFAOYSA-N 0 2 306.705 3.515 20 5 DHBDLN CCCc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000029467265 1020524576 /nfs/dbraw/zinc/52/45/76/1020524576.db2.gz JTVIMHHYQWPVRX-UHFFFAOYSA-N 0 2 300.314 3.505 20 5 DHBDLN O=C(Cc1ccc2ccccc2c1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000183908567 1022541652 /nfs/dbraw/zinc/54/16/52/1022541652.db2.gz SMUBAJJURPDEQC-UHFFFAOYSA-N 0 2 322.320 3.635 20 5 DHBDLN CCSc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC000356294636 1026012045 /nfs/dbraw/zinc/01/20/45/1026012045.db2.gz NXCRWSNGFMFAAI-UHFFFAOYSA-N 0 2 318.354 3.665 20 5 DHBDLN C[C@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000491581223 1036607189 /nfs/dbraw/zinc/60/71/89/1036607189.db2.gz KGUAAOCXQUISKE-NWDGAFQWSA-N 0 2 320.389 3.587 20 5 DHBDLN Cc1ccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c(Cl)c1 ZINC000183296819 333054323 /nfs/dbraw/zinc/05/43/23/333054323.db2.gz OJPNWSCVOKCXFA-UHFFFAOYSA-N 0 2 306.705 3.515 20 5 DHBDLN CC(C)c1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000318842784 333216970 /nfs/dbraw/zinc/21/69/70/333216970.db2.gz ZQPBRKZFYDHEPU-UHFFFAOYSA-N 0 2 300.314 3.676 20 5 DHBDLN CC(C)CC1(C)CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000436921696 334016797 /nfs/dbraw/zinc/01/67/97/334016797.db2.gz KOFFZRZMZFBVIZ-UHFFFAOYSA-N 0 2 320.389 3.589 20 5 DHBDLN CCCN(CC1CCCCC1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436959349 338295836 /nfs/dbraw/zinc/29/58/36/338295836.db2.gz MUQIVAPEMALQGP-UHFFFAOYSA-N 0 2 320.389 3.733 20 5 DHBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cccc(C2CCC2)c1 ZINC000467502719 339240366 /nfs/dbraw/zinc/24/03/66/339240366.db2.gz NSDTXHXDWUWNJD-UHFFFAOYSA-N 0 2 312.325 3.820 20 5 DHBDLN C[C@@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000491571218 339867476 /nfs/dbraw/zinc/86/74/76/339867476.db2.gz BFMKGZUFWARNJN-NEPJUHHUSA-N 0 2 320.389 3.587 20 5 DHBDLN C[C@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000491581224 339867734 /nfs/dbraw/zinc/86/77/34/339867734.db2.gz KGUAAOCXQUISKE-RYUDHWBXSA-N 0 2 320.389 3.587 20 5 DHBDLN CC[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)c1ccc(F)cc1 ZINC000128093757 340860668 /nfs/dbraw/zinc/86/06/68/340860668.db2.gz OFHYVUOBUZUYJD-CYBMUJFWSA-N 0 2 318.304 3.572 20 5 DHBDLN O=C(CCc1ccccc1Cl)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000166125890 341715943 /nfs/dbraw/zinc/71/59/43/341715943.db2.gz ASLSYPYSSLWDHV-UHFFFAOYSA-N 0 2 320.732 3.525 20 5 DHBDLN Cc1cccc(C(=O)Nc2cccc(Cl)c2O)c1[N+](=O)[O-] ZINC000172110046 1018012965 /nfs/dbraw/zinc/01/29/65/1018012965.db2.gz ILJABFDDQCFIGZ-UHFFFAOYSA-N 0 2 306.705 3.515 20 5 DHBDLN CC(C)c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000318510580 1020045867 /nfs/dbraw/zinc/04/58/67/1020045867.db2.gz GJJPOSBCMHGKGX-UHFFFAOYSA-N 0 2 300.314 3.676 20 5 DHBDLN CC(C)c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)s1 ZINC000184082747 1022701210 /nfs/dbraw/zinc/70/12/10/1022701210.db2.gz AGMWFMRJLMYNSC-UHFFFAOYSA-N 0 2 306.343 3.738 20 5 DHBDLN O=C(/C=C/c1ccccc1Cl)Nc1cc([N+](=O)[O-])ccc1O ZINC000770864547 1023352910 /nfs/dbraw/zinc/35/29/10/1023352910.db2.gz YNGAULZTCSJPAY-VMPITWQZSA-N 0 2 318.716 3.606 20 5 DHBDLN CCN(C(=O)c1ccc([N+](=O)[O-])cc1O)c1ccc(Cl)cc1 ZINC000772109697 1023514404 /nfs/dbraw/zinc/51/44/04/1023514404.db2.gz GVRFTZAUSZNHIB-UHFFFAOYSA-N 0 2 320.732 3.621 20 5 DHBDLN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)c1cccc(Cl)c1 ZINC000538870615 1033210251 /nfs/dbraw/zinc/21/02/51/1033210251.db2.gz PJKFOHUJLYTWNF-VIFPVBQESA-N 0 2 320.732 3.696 20 5 DHBDLN Cc1cc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c(C)cc1Cl ZINC000793799042 1025167327 /nfs/dbraw/zinc/16/73/27/1025167327.db2.gz GAXSTVFGJHRIIB-UHFFFAOYSA-N 0 2 320.732 3.823 20 5 DHBDLN Cc1ccc(Cl)cc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436864349 334011970 /nfs/dbraw/zinc/01/19/70/334011970.db2.gz YNEBLQGJSQEZKY-UHFFFAOYSA-N 0 2 306.705 3.515 20 5 DHBDLN CCCCN(C(=O)c1ccc([N+](=O)[O-])cc1O)c1ccccc1 ZINC000187771495 334271480 /nfs/dbraw/zinc/27/14/80/334271480.db2.gz AJKWJXNGNACBAN-UHFFFAOYSA-N 0 2 314.341 3.747 20 5 DHBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1occc1-c1ccccc1 ZINC000089530822 337870855 /nfs/dbraw/zinc/87/08/55/337870855.db2.gz RDKLSLOADUGCJU-UHFFFAOYSA-N 0 2 324.292 3.813 20 5 DHBDLN C[C@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1O)c1ccccc1F ZINC000089531150 337870929 /nfs/dbraw/zinc/87/09/29/337870929.db2.gz BIQWJIQWTOSOPD-SNVBAGLBSA-N 0 2 318.304 3.572 20 5 DHBDLN O=C(Nc1ccc(F)c(C2CC2)c1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000436782624 338287177 /nfs/dbraw/zinc/28/71/77/338287177.db2.gz OGWOEYBINFMAHF-UHFFFAOYSA-N 0 2 316.288 3.569 20 5 DHBDLN CCCCN(C(=O)c1cc([N+](=O)[O-])ccc1O)C1CCCCC1 ZINC000436961611 338296118 /nfs/dbraw/zinc/29/61/18/338296118.db2.gz BUWZKEGCIHCHLV-UHFFFAOYSA-N 0 2 320.389 3.875 20 5 DHBDLN CC(C)C[C@H]1CCCCCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000440936949 338400102 /nfs/dbraw/zinc/40/01/02/338400102.db2.gz NUDILKRGKXCNCK-CQSZACIVSA-N 0 2 320.389 3.731 20 5 DHBDLN C[C@H](CCC1CCCCC1)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000512946291 340385148 /nfs/dbraw/zinc/38/51/48/340385148.db2.gz ZVGRNFVTQZWPHN-GFCCVEGCSA-N 0 2 320.389 3.779 20 5 DHBDLN CC[C@@H](Cc1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000538870629 1033209521 /nfs/dbraw/zinc/20/95/21/1033209521.db2.gz QBPLEVPQHKJPMG-ZDUSSCGKSA-N 0 2 314.341 3.508 20 5 DHBDLN Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c(Cl)c1 ZINC000191875521 1030859271 /nfs/dbraw/zinc/85/92/71/1030859271.db2.gz IVDDTFOQDLCBBM-UHFFFAOYSA-N 0 2 306.705 3.515 20 5 DHBDLN Cc1cc[nH+]c(C(C)C)c1Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001174504541 1034461893 /nfs/dbraw/zinc/46/18/93/1034461893.db2.gz SQKLXVFLNSSFHJ-UHFFFAOYSA-N 0 2 315.329 3.863 20 5 DHBDLN CC(C)CC1(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)CCCC1 ZINC000483441435 1035271507 /nfs/dbraw/zinc/27/15/07/1035271507.db2.gz OWROXRMMDXMBOK-UHFFFAOYSA-N 0 2 306.362 3.845 20 5 DHBDLN C[C@H]1CCC[C@@H](c2noc(-c3ccc([N+](=O)[O-])c(O)c3)n2)C1 ZINC000445211665 332147003 /nfs/dbraw/zinc/14/70/03/332147003.db2.gz KTYBKXWQYZYVHF-VHSXEESVSA-N 0 2 303.318 3.644 20 5 DHBDLN O=C(Nc1ccc(F)c(C2CC2)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000355693420 336519474 /nfs/dbraw/zinc/51/94/74/336519474.db2.gz XDCXYDOQPRAAFG-UHFFFAOYSA-N 0 2 316.288 3.569 20 5 DHBDLN CC(C)c1cccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c1 ZINC000436635424 338280737 /nfs/dbraw/zinc/28/07/37/338280737.db2.gz QEYYKNCGBFPGQK-UHFFFAOYSA-N 0 2 300.314 3.676 20 5 DHBDLN O=C(Nc1cccc(C2CCC2)c1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000436640918 338280915 /nfs/dbraw/zinc/28/09/15/338280915.db2.gz RPNALPCAICGZLO-UHFFFAOYSA-N 0 2 312.325 3.820 20 5 DHBDLN COc1cc(-c2nc3cc(F)ccc3s2)cc([N+](=O)[O-])c1O ZINC000436655923 338281844 /nfs/dbraw/zinc/28/18/44/338281844.db2.gz KPXFTWUXYADRDS-UHFFFAOYSA-N 0 2 320.301 3.725 20 5 DHBDLN CCC(CC)N(CC(C)C)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436682234 338282626 /nfs/dbraw/zinc/28/26/26/338282626.db2.gz URHXFESQCCJZGT-UHFFFAOYSA-N 0 2 308.378 3.587 20 5 DHBDLN CC(C)CN(C(=O)c1ccc(O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000436717399 338283845 /nfs/dbraw/zinc/28/38/45/338283845.db2.gz WJVHJNOALHKCDR-UHFFFAOYSA-N 0 2 314.341 3.603 20 5 DHBDLN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c(Cl)c1 ZINC000436864073 338290341 /nfs/dbraw/zinc/29/03/41/338290341.db2.gz XJIRYUUMTMLLAW-UHFFFAOYSA-N 0 2 306.705 3.515 20 5 DHBDLN CSc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c1C ZINC000436893615 338292380 /nfs/dbraw/zinc/29/23/80/338292380.db2.gz OHGUTAGJFYWWKJ-UHFFFAOYSA-N 0 2 318.354 3.583 20 5 DHBDLN CC(C)CCC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000436969579 338296303 /nfs/dbraw/zinc/29/63/03/338296303.db2.gz ZBXVUJGHHIJBFG-UHFFFAOYSA-N 0 2 320.389 3.589 20 5 DHBDLN C[C@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000491571220 339867459 /nfs/dbraw/zinc/86/74/59/339867459.db2.gz BFMKGZUFWARNJN-RYUDHWBXSA-N 0 2 320.389 3.587 20 5 DHBDLN CC(C)c1ccc(NC(=O)c2cccc(O)c2[N+](=O)[O-])cc1 ZINC000507935363 340236181 /nfs/dbraw/zinc/23/61/81/340236181.db2.gz HVKLUNBRJPRWGN-UHFFFAOYSA-N 0 2 300.314 3.676 20 5 DHBDLN C[C@H](CCC1CCCCC1)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000523756577 340638155 /nfs/dbraw/zinc/63/81/55/340638155.db2.gz ZOWWXUIYSJCOTR-GFCCVEGCSA-N 0 2 320.389 3.779 20 5 DHBDLN Cc1c(Cl)cccc1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000073562882 341118310 /nfs/dbraw/zinc/11/83/10/341118310.db2.gz UWUOJJMWJFUOPD-UHFFFAOYSA-N 0 2 306.705 3.515 20 5 DHBDLN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(Cl)c2O)c1 ZINC000173474280 1018219113 /nfs/dbraw/zinc/21/91/13/1018219113.db2.gz PXYKKBSUULIPMV-UHFFFAOYSA-N 0 2 306.705 3.515 20 5 DHBDLN Cc1ccccc1[C@H](C)CC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000183912946 1022541686 /nfs/dbraw/zinc/54/16/86/1022541686.db2.gz RFXPAWNSPIOFCV-GFCCVEGCSA-N 0 2 314.341 3.741 20 5 DHBDLN CN(C(=O)c1ccc([N+](=O)[O-])cc1O)c1cccc2ccccc21 ZINC000613905597 1024295049 /nfs/dbraw/zinc/29/50/49/1024295049.db2.gz PRVSATGPFBFUHG-UHFFFAOYSA-N 0 2 322.320 3.730 20 5 DHBDLN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)c1cccc(Cl)c1 ZINC000538870614 1033209018 /nfs/dbraw/zinc/20/90/18/1033209018.db2.gz PJKFOHUJLYTWNF-SECBINFHSA-N 0 2 320.732 3.696 20 5 DHBDLN O=C(Nc1ccc2sccc2c1)c1ccc([N+](=O)[O-])cc1O ZINC001135859782 1029116808 /nfs/dbraw/zinc/11/68/08/1029116808.db2.gz AZZFYLPOTCZSMO-UHFFFAOYSA-N 0 2 314.322 3.767 20 5 DHBDLN C[C@@H](CC(=O)Nc1ccc(O)c([N+](=O)[O-])c1)c1ccccc1F ZINC000155972072 1029351133 /nfs/dbraw/zinc/35/11/33/1029351133.db2.gz NDEBFKSTGSXJDH-JTQLQIEISA-N 0 2 318.304 3.572 20 5 DHBDLN C[C@@H](CCC1CCCCC1)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001136774387 1030386726 /nfs/dbraw/zinc/38/67/26/1030386726.db2.gz YPHRDXYEUUUFMP-LBPRGKRZSA-N 0 2 320.389 3.779 20 5 DHBDLN CSCCCCCCC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000860439651 1033384048 /nfs/dbraw/zinc/38/40/48/1033384048.db2.gz CXQSOIAFXZCGAA-UHFFFAOYSA-N 0 2 312.391 3.552 20 5 DHBDLN O=[N+]([O-])[C@@H]1C[C@H]1c1nc(-c2ccc(-c3ccccc3)cc2)no1 ZINC000904550633 1035425263 /nfs/dbraw/zinc/42/52/63/1035425263.db2.gz MGGFWTOKLVSRRR-HUUCEWRRSA-N 0 2 307.309 3.536 20 5 DHBDLN CC(C)(CC(=O)Nc1cc([N+](=O)[O-])ccc1O)c1ccccc1 ZINC000535502732 1035665382 /nfs/dbraw/zinc/66/53/82/1035665382.db2.gz OTKDTEUXSQPTCU-UHFFFAOYSA-N 0 2 314.341 3.607 20 5 DHBDLN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(Cl)c1O ZINC000775632226 1036119620 /nfs/dbraw/zinc/11/96/20/1036119620.db2.gz XBOGLIVPDVAMQI-UHFFFAOYSA-N 0 2 306.705 3.515 20 5 DHBDLN Cc1cc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc(C)c1Cl ZINC000583997945 331540086 /nfs/dbraw/zinc/54/00/86/331540086.db2.gz ZUWGLPLMSCGXIE-UHFFFAOYSA-N 0 2 320.732 3.823 20 5 DHBDLN CC[C@@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1O)c1ccccc1 ZINC000559921684 332294173 /nfs/dbraw/zinc/29/41/73/332294173.db2.gz ALTBRXGOJMBEBW-LBPRGKRZSA-N 0 2 314.341 3.823 20 5 DHBDLN CC(C)(C)c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)s1 ZINC000560760275 332384636 /nfs/dbraw/zinc/38/46/36/332384636.db2.gz DUOAMEKBELSDKG-UHFFFAOYSA-N 0 2 320.370 3.912 20 5 DHBDLN CCC(CC)N(CC(C)C)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000318655861 333198545 /nfs/dbraw/zinc/19/85/45/333198545.db2.gz GUSAUTCFHPITJK-UHFFFAOYSA-N 0 2 308.378 3.587 20 5 DHBDLN CC(C)CCN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)C1CCCC1 ZINC000324237617 336116262 /nfs/dbraw/zinc/11/62/62/336116262.db2.gz ZGIKFEBCXOCROB-UHFFFAOYSA-N 0 2 320.389 3.731 20 5 DHBDLN CC(C)c1ccccc1N(C)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000426364737 338028884 /nfs/dbraw/zinc/02/88/84/338028884.db2.gz JHLNONYLJZENJB-UHFFFAOYSA-N 0 2 314.341 3.700 20 5 DHBDLN C[C@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436740075 338285018 /nfs/dbraw/zinc/28/50/18/338285018.db2.gz PMEACNRSPDGVHB-NWDGAFQWSA-N 0 2 320.389 3.587 20 5 DHBDLN CC(C)CCC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000436886562 338291789 /nfs/dbraw/zinc/29/17/89/338291789.db2.gz LTMSFWZYUSWVTL-UHFFFAOYSA-N 0 2 320.389 3.589 20 5 DHBDLN CC(C)C[C@@H]1CCCCCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000440936948 338400071 /nfs/dbraw/zinc/40/00/71/338400071.db2.gz NUDILKRGKXCNCK-AWEZNQCLSA-N 0 2 320.389 3.731 20 5 DHBDLN C[C@@H](CCC1CCCCC1)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000512946292 340385146 /nfs/dbraw/zinc/38/51/46/340385146.db2.gz ZVGRNFVTQZWPHN-LBPRGKRZSA-N 0 2 320.389 3.779 20 5 DHBDLN CCc1ccc([C@H](C)C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC000166068121 341715774 /nfs/dbraw/zinc/71/57/74/341715774.db2.gz UFLDXEKLYFHSAZ-NSHDSACASA-N 0 2 314.341 3.605 20 5 DHBDLN O=C1CCCCc2c(Nc3ccc(O)c([N+](=O)[O-])c3)cccc21 ZINC001210397525 1013831940 /nfs/dbraw/zinc/83/19/40/1013831940.db2.gz DWHMQULNYSZIDT-UHFFFAOYSA-N 0 2 312.325 3.953 20 5 DHBDLN CC(C)(CC(=O)Nc1ccc(O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000183909801 1022547406 /nfs/dbraw/zinc/54/74/06/1022547406.db2.gz OFRMBBAWHOAKEN-UHFFFAOYSA-N 0 2 314.341 3.607 20 5 DHBDLN CC(C)Cc1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000790819695 1024384371 /nfs/dbraw/zinc/38/43/71/1024384371.db2.gz KQRKAOWOLNCKNO-UHFFFAOYSA-N 0 2 314.341 3.751 20 5 DHBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1ccc(C2CCC2)cc1 ZINC000792447015 1024670799 /nfs/dbraw/zinc/67/07/99/1024670799.db2.gz OVWYZRNPMSOXMS-UHFFFAOYSA-N 0 2 312.325 3.820 20 5 DHBDLN Cc1cc[nH+]c2cc(Nc3ccc(C(=O)[O-])c([N+](=O)[O-])c3)ccc12 ZINC001174508008 1034465961 /nfs/dbraw/zinc/46/59/61/1034465961.db2.gz UZCSLTUUOFYRJQ-UHFFFAOYSA-N 0 2 323.308 3.893 20 5 DHBDLN Cc1ccc(CCCC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC000483452488 1035270203 /nfs/dbraw/zinc/27/02/03/1035270203.db2.gz XTZPADOSPJSRHW-UHFFFAOYSA-N 0 2 314.341 3.570 20 5 DHBDLN CC[C@H](C)n1nc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1C ZINC000775699962 1036472543 /nfs/dbraw/zinc/47/25/43/1036472543.db2.gz JWXLLFCGNJRXLC-VIFPVBQESA-N 0 2 319.321 3.723 20 5 DHBDLN Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c(F)c1Cl ZINC000573057120 1038739008 /nfs/dbraw/zinc/73/90/08/1038739008.db2.gz QLOMVZJGUIECEL-UHFFFAOYSA-N 0 2 324.695 3.654 20 5 DHBDLN Cc1ccc(Cl)cc1N(C)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000584132526 331840397 /nfs/dbraw/zinc/84/03/97/331840397.db2.gz DMJWDEWGHZCQDR-UHFFFAOYSA-N 0 2 320.732 3.539 20 5 DHBDLN CCCCc1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000324243289 336115552 /nfs/dbraw/zinc/11/55/52/336115552.db2.gz GLWJCZLNUSKERL-UHFFFAOYSA-N 0 2 314.341 3.895 20 5 DHBDLN CC(C)CCn1ccc(Nc2ncc(Cl)cc2[N+](=O)[O-])n1 ZINC000302018370 336343431 /nfs/dbraw/zinc/34/34/31/336343431.db2.gz GNXPSHFTINXJRY-UHFFFAOYSA-N 0 2 309.757 3.629 20 5 DHBDLN C[C@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000360705084 336719548 /nfs/dbraw/zinc/71/95/48/336719548.db2.gz NIKDSKSFRBVCBI-WCQYABFASA-N 0 2 320.389 3.587 20 5 DHBDLN Cc1coc2ccc(NC(=O)c3ccc([N+](=O)[O-])c(O)c3)cc12 ZINC000185761122 337251111 /nfs/dbraw/zinc/25/11/11/337251111.db2.gz MCNFCHALBFIMLO-UHFFFAOYSA-N 0 2 312.281 3.607 20 5 DHBDLN CCc1ccc(CC)c(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c1 ZINC000119105286 337854527 /nfs/dbraw/zinc/85/45/27/337854527.db2.gz ZRHWJGCBNNDDRN-UHFFFAOYSA-N 0 2 314.341 3.678 20 5 DHBDLN CSc1ccc(C)c(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC000089531433 337870958 /nfs/dbraw/zinc/87/09/58/337870958.db2.gz FCBADCGCFFLYGX-UHFFFAOYSA-N 0 2 318.354 3.583 20 5 DHBDLN CCCn1c2ccc(F)cc2nc1-c1ccc(O)c([N+](=O)[O-])c1 ZINC000436657130 338281885 /nfs/dbraw/zinc/28/18/85/338281885.db2.gz PYWCGYIFKBFKOI-UHFFFAOYSA-N 0 2 315.304 3.866 20 5 DHBDLN CCc1ccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1Cl ZINC000436676207 338282523 /nfs/dbraw/zinc/28/25/23/338282523.db2.gz ODESLGLWHPMWSZ-UHFFFAOYSA-N 0 2 320.732 3.769 20 5 DHBDLN CC(C)CN(C(=O)c1ccc([N+](=O)[O-])cc1O)c1ccccc1 ZINC000436705947 338283517 /nfs/dbraw/zinc/28/35/17/338283517.db2.gz BCLUETHMGLNRPO-UHFFFAOYSA-N 0 2 314.341 3.603 20 5 DHBDLN CC(C)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436862094 338290418 /nfs/dbraw/zinc/29/04/18/338290418.db2.gz XJJSEHAQXLELRK-UHFFFAOYSA-N 0 2 300.314 3.676 20 5 DHBDLN Cc1oc2ccccc2c1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000184834954 1014499428 /nfs/dbraw/zinc/49/94/28/1014499428.db2.gz SAEXYLGZLPECGY-UHFFFAOYSA-N 0 2 312.281 3.607 20 5 DHBDLN Cn1c(-c2ccc(O)c([N+](=O)[O-])c2)nc2cccc(Cl)c21 ZINC000436654511 1012759629 /nfs/dbraw/zinc/75/96/29/1012759629.db2.gz FQBCPUYGXFJILC-UHFFFAOYSA-N 0 2 303.705 3.508 20 5 DHBDLN Cc1cc(C(=O)Nc2cccc(Cl)c2O)ccc1[N+](=O)[O-] ZINC000172111822 1018012687 /nfs/dbraw/zinc/01/26/87/1018012687.db2.gz WYVZTRUENHRURW-UHFFFAOYSA-N 0 2 306.705 3.515 20 5 DHBDLN CN(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000416288126 1022236949 /nfs/dbraw/zinc/23/69/49/1022236949.db2.gz KPMHQVRGVSYWRE-KBPBESRZSA-N 0 2 320.389 3.587 20 5 DHBDLN Cc1ccc(CCCC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)s1 ZINC000183919969 1022551160 /nfs/dbraw/zinc/55/11/60/1022551160.db2.gz TZROUIHDGHJSQT-UHFFFAOYSA-N 0 2 320.370 3.632 20 5 DHBDLN O=[N+]([O-])c1cc(Cl)cnc1Nc1ccn(-c2ccccc2)n1 ZINC000771916706 1023489356 /nfs/dbraw/zinc/48/93/56/1023489356.db2.gz DRGYNEFDILBIJC-UHFFFAOYSA-N 0 2 315.720 3.573 20 5 DHBDLN CC(C)CC1(C)CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000356426958 1026050376 /nfs/dbraw/zinc/05/03/76/1026050376.db2.gz KMLIOVVHJJFIOV-UHFFFAOYSA-N 0 2 320.389 3.589 20 5 DHBDLN Cc1cccc2cc(C(=O)Nc3ccc(O)c([N+](=O)[O-])c3)oc21 ZINC000361658719 1032043247 /nfs/dbraw/zinc/04/32/47/1032043247.db2.gz YEOBZWGNTBTJND-UHFFFAOYSA-N 0 2 312.281 3.607 20 5 DHBDLN CCc1ccc([C@@H](C)C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC000166067998 1038638140 /nfs/dbraw/zinc/63/81/40/1038638140.db2.gz UFLDXEKLYFHSAZ-LLVKDONJSA-N 0 2 314.341 3.605 20 5 DHBDLN CC(C)(C)c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000036342684 182817121 /nfs/dbraw/zinc/81/71/21/182817121.db2.gz YCNQUFFOZVXQJM-UHFFFAOYSA-N 0 2 314.341 3.850 20 5 DHBDLN O=C(N[C@H]1CCCCC12CCCC2)c1cccc(O)c1[N+](=O)[O-] ZINC000292080259 131622229 /nfs/dbraw/zinc/62/22/29/131622229.db2.gz DNNOTEPDXHZWGQ-AWEZNQCLSA-N 0 2 318.373 3.533 20 5 DHBDLN CC(C)CN(C(=O)c1cccc(O)c1[N+](=O)[O-])c1ccccc1 ZINC000557760042 331814039 /nfs/dbraw/zinc/81/40/39/331814039.db2.gz BVKOLDLTIQYMNJ-UHFFFAOYSA-N 0 2 314.341 3.603 20 5 DHBDLN C[C@H]1CCC[C@H](c2noc(-c3ccc([N+](=O)[O-])c(O)c3)n2)C1 ZINC000445211663 332146899 /nfs/dbraw/zinc/14/68/99/332146899.db2.gz KTYBKXWQYZYVHF-UWVGGRQHSA-N 0 2 303.318 3.644 20 5 DHBDLN CC(C)(CNC(=O)c1cc(O)ccc1[N+](=O)[O-])C1=CCCCC1 ZINC000560645423 332372622 /nfs/dbraw/zinc/37/26/22/332372622.db2.gz AQPFVXFUCVIVFL-UHFFFAOYSA-N 0 2 318.373 3.557 20 5 DHBDLN CC(C)CC1(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])CCCC1 ZINC000391798483 335106527 /nfs/dbraw/zinc/10/65/27/335106527.db2.gz FHHXMFQEKUBFHR-UHFFFAOYSA-N 0 2 320.389 3.637 20 5 DHBDLN CC(C)c1cccc(N(C)C(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000184699470 333364990 /nfs/dbraw/zinc/36/49/90/333364990.db2.gz IVOVPHVOOVPHCN-UHFFFAOYSA-N 0 2 314.341 3.700 20 5 DHBDLN CSc1ccc(Cl)cc1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000049319129 334325360 /nfs/dbraw/zinc/32/53/60/334325360.db2.gz GGQQXTRADNNXRX-UHFFFAOYSA-N 0 2 312.734 3.815 20 5 DHBDLN Cc1oc2ccccc2c1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000186015647 337252868 /nfs/dbraw/zinc/25/28/68/337252868.db2.gz LUMPFIQBALFJCD-UHFFFAOYSA-N 0 2 312.281 3.607 20 5 DHBDLN CCn1c2ccc(Cl)cc2nc1-c1ccc(O)c([N+](=O)[O-])c1 ZINC000436653292 338281758 /nfs/dbraw/zinc/28/17/58/338281758.db2.gz BDHZEGZNRGIKRQ-UHFFFAOYSA-N 0 2 317.732 3.990 20 5 DHBDLN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(F)cc(Cl)c1O ZINC000474431712 339414288 /nfs/dbraw/zinc/41/42/88/339414288.db2.gz KERJCSRHOBOECX-UHFFFAOYSA-N 0 2 324.695 3.654 20 5 DHBDLN C[C@H](CC(=O)Nc1ccc(O)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000544403740 341080555 /nfs/dbraw/zinc/08/05/55/341080555.db2.gz BPUUUVSYIKIWLJ-SNVBAGLBSA-N 0 2 318.304 3.572 20 5 DHBDLN CC[C@@H](Cc1ccccc1)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000548518828 341265478 /nfs/dbraw/zinc/26/54/78/341265478.db2.gz VJEVXMMXGOBSIF-ZDUSSCGKSA-N 0 2 314.341 3.508 20 5 DHBDLN CCN(C(=O)c1cccc(O)c1[N+](=O)[O-])c1cc(C)cc(C)c1 ZINC000549757075 341302328 /nfs/dbraw/zinc/30/23/28/341302328.db2.gz SQIDANMCMRHLLR-UHFFFAOYSA-N 0 2 314.341 3.584 20 5 DHBDLN Cc1c(Cl)cccc1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000194809757 1021708982 /nfs/dbraw/zinc/70/89/82/1021708982.db2.gz MXSROZMWGFYROF-UHFFFAOYSA-N 0 2 306.705 3.515 20 5 DHBDLN C[C@@H](Sc1n[nH]c(C(C)(C)C)n1)c1cccc([N+](=O)[O-])c1 ZINC000028856351 1025272652 /nfs/dbraw/zinc/27/26/52/1025272652.db2.gz MUVWLHRLFAFAKX-SECBINFHSA-N 0 2 306.391 3.864 20 5 DHBDLN CSc1ccc(C)c(NC(=O)c2cc(O)ccc2[N+](=O)[O-])c1 ZINC000354540851 1025453007 /nfs/dbraw/zinc/45/30/07/1025453007.db2.gz NTPNACOAENBKGR-UHFFFAOYSA-N 0 2 318.354 3.583 20 5 DHBDLN COc1cc(-c2nc3cc(C)ccc3s2)cc([N+](=O)[O-])c1O ZINC000603836088 1039175624 /nfs/dbraw/zinc/17/56/24/1039175624.db2.gz DVBLLQHPMZVCAQ-UHFFFAOYSA-N 0 2 316.338 3.894 20 5 DHBDLN CC(C)(C)[C@@H]1CCCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000324486909 336222879 /nfs/dbraw/zinc/22/28/79/336222879.db2.gz HQLAZLRNNITHNN-GFCCVEGCSA-N 0 2 320.389 3.589 20 5 DHBDLN CC(C)c1ccccc1NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000358163320 336614185 /nfs/dbraw/zinc/61/41/85/336614185.db2.gz WROIWOGYIIOZFB-UHFFFAOYSA-N 0 2 300.314 3.676 20 5 DHBDLN CCCC1CCC(N(C)C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000436610323 338279777 /nfs/dbraw/zinc/27/97/77/338279777.db2.gz SQGJRLQEXDJUQR-UHFFFAOYSA-N 0 2 320.389 3.731 20 5 DHBDLN CCN(C(=O)c1ccc([N+](=O)[O-])cc1O)c1cccc(Cl)c1 ZINC000436660968 338282027 /nfs/dbraw/zinc/28/20/27/338282027.db2.gz DKQVAYVOJHYXKL-UHFFFAOYSA-N 0 2 320.732 3.621 20 5 DHBDLN Cn1c(-c2ccc([N+](=O)[O-])c(O)c2)nc2cccc(Cl)c21 ZINC000498549783 339789820 /nfs/dbraw/zinc/78/98/20/339789820.db2.gz UNSXEDDJNIXHCR-UHFFFAOYSA-N 0 2 303.705 3.508 20 5 DHBDLN CC(C)Cn1cc(Nc2ncccc2[N+](=O)[O-])c(C(F)F)n1 ZINC000341399117 1015308469 /nfs/dbraw/zinc/30/84/69/1015308469.db2.gz UZPLGPDBSUBDFO-UHFFFAOYSA-N 0 2 311.292 3.524 20 5 DHBDLN CN(C(=O)c1ccc([N+](=O)[O-])cc1O)c1ccc2ccccc2c1 ZINC000122132680 1021157041 /nfs/dbraw/zinc/15/70/41/1021157041.db2.gz XESNBTJQHPTPHT-UHFFFAOYSA-N 0 2 322.320 3.730 20 5 DHBDLN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(Cl)c(O)cc2F)c1 ZINC000805257356 1025568800 /nfs/dbraw/zinc/56/88/00/1025568800.db2.gz ZCENXACCNHVRJG-UHFFFAOYSA-N 0 2 324.695 3.654 20 5 DHBDLN CC(F)(F)c1ccc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC000816054824 1028709714 /nfs/dbraw/zinc/70/97/14/1028709714.db2.gz PARRJIWPOFCWEB-UHFFFAOYSA-N 0 2 322.267 3.664 20 5 DHBDLN CC(C)CN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccccc1 ZINC000323651944 333526027 /nfs/dbraw/zinc/52/60/27/333526027.db2.gz XGWHHYIYWRAPGD-UHFFFAOYSA-N 0 2 314.341 3.603 20 5 DHBDLN CN(C(=O)c1cc([N+](=O)[O-])ccc1O)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000416283032 334659526 /nfs/dbraw/zinc/65/95/26/334659526.db2.gz DNYUAWFEPJOUQT-UONOGXRCSA-N 0 2 320.389 3.587 20 5 DHBDLN O=[N+]([O-])c1ccc(-c2nc(-c3ccc(Cl)s3)no2)cc1O ZINC000445557517 338499649 /nfs/dbraw/zinc/49/96/49/338499649.db2.gz LHJYGQFEXVNHNF-UHFFFAOYSA-N 0 2 323.717 3.732 20 5 DHBDLN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)ccc1C1CC1 ZINC000358890889 336646383 /nfs/dbraw/zinc/64/63/83/336646383.db2.gz ZRGBQECMLWHNRP-UHFFFAOYSA-N 0 2 312.325 3.739 20 5 DHBDLN O=C(Nc1cccc(C2CCC2)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000360897132 336726312 /nfs/dbraw/zinc/72/63/12/336726312.db2.gz WGCUSNAZGYLLKV-UHFFFAOYSA-N 0 2 312.325 3.820 20 5 DHBDLN CCCC1CCC(N(C)C(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000436601118 338279427 /nfs/dbraw/zinc/27/94/27/338279427.db2.gz BMRQMPZYEUFKKE-UHFFFAOYSA-N 0 2 320.389 3.731 20 5 DHBDLN CC(C)c1ccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC000436629655 338280684 /nfs/dbraw/zinc/28/06/84/338280684.db2.gz WMDBIVHPQICKOQ-UHFFFAOYSA-N 0 2 300.314 3.676 20 5 DHBDLN CC(C)CC[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436889188 338292020 /nfs/dbraw/zinc/29/20/20/338292020.db2.gz QFHDFIRFDHYOSH-ZDUSSCGKSA-N 0 2 320.389 3.731 20 5 DHBDLN CC(C)CCN(C(=O)c1ccc([N+](=O)[O-])cc1O)C1CCCC1 ZINC000436968706 338296354 /nfs/dbraw/zinc/29/63/54/338296354.db2.gz WKUYLASLXRLYTE-UHFFFAOYSA-N 0 2 320.389 3.731 20 5 DHBDLN CC(C)c1ccccc1NC(=O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000164106772 338887290 /nfs/dbraw/zinc/88/72/90/338887290.db2.gz MGRAIZPMQZCDLJ-UHFFFAOYSA-N 0 2 300.314 3.676 20 5 DHBDLN Cc1ccc(CCCC(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000075289252 341174120 /nfs/dbraw/zinc/17/41/20/341174120.db2.gz BDESFNWFVDYMLW-UHFFFAOYSA-N 0 2 314.341 3.570 20 5 DHBDLN Cc1ccc(C(C)(C)C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC000155964047 341615498 /nfs/dbraw/zinc/61/54/98/341615498.db2.gz WCCTZJCLLIWNES-UHFFFAOYSA-N 0 2 314.341 3.525 20 5 DHBDLN Cc1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])c(Cl)c1 ZINC000235894940 1020051385 /nfs/dbraw/zinc/05/13/85/1020051385.db2.gz MSBYJXOTTBLWFM-UHFFFAOYSA-N 0 2 306.705 3.515 20 5 DHBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1csc2ccccc12 ZINC000183911385 1022540940 /nfs/dbraw/zinc/54/09/40/1022540940.db2.gz XUOMDFZCMFAIBM-UHFFFAOYSA-N 0 2 314.322 3.767 20 5 DHBDLN CCCCN(C(=O)c1ccc([N+](=O)[O-])cc1O)C1CCCCC1 ZINC000436804115 334000570 /nfs/dbraw/zinc/00/05/70/334000570.db2.gz OBBVZASROYFCSR-UHFFFAOYSA-N 0 2 320.389 3.875 20 5 DHBDLN C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000360705083 336719596 /nfs/dbraw/zinc/71/95/96/336719596.db2.gz NIKDSKSFRBVCBI-DGCLKSJQSA-N 0 2 320.389 3.587 20 5 DHBDLN CC(C)c1ccsc1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000089541120 337871018 /nfs/dbraw/zinc/87/10/18/337871018.db2.gz DGRNLVOZPJNZIA-UHFFFAOYSA-N 0 2 306.343 3.738 20 5 DHBDLN CC[C@H](Cc1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000538870628 340859682 /nfs/dbraw/zinc/85/96/82/340859682.db2.gz QBPLEVPQHKJPMG-CYBMUJFWSA-N 0 2 314.341 3.508 20 5 DHBDLN C[C@@H]([C@H](C)NC(=O)c1cc(O)ccc1[N+](=O)[O-])C1CCCCC1 ZINC000552053991 341365520 /nfs/dbraw/zinc/36/55/20/341365520.db2.gz DYRFAJOHMMLSEJ-RYUDHWBXSA-N 0 2 320.389 3.635 20 5 DHBDLN O=[N+]([O-])c1ccc(-c2nc([C@H]3C[C@H]3c3ccccc3)no2)cc1O ZINC000338063160 527343033 /nfs/dbraw/zinc/34/30/33/527343033.db2.gz AXDYFGNIYUKAEA-STQMWFEESA-N 0 2 323.308 3.622 20 5 DHBDLN Cc1csc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c1Cl ZINC000362139250 1032244737 /nfs/dbraw/zinc/24/47/37/1032244737.db2.gz DEVOEVPVYQJVAC-UHFFFAOYSA-N 0 2 312.734 3.576 20 5 DHBDLN O=C(Nc1cccc2ccsc21)c1cc(O)ccc1[N+](=O)[O-] ZINC000354354366 1020600929 /nfs/dbraw/zinc/60/09/29/1020600929.db2.gz DFRMCRMININITF-UHFFFAOYSA-N 0 2 314.322 3.767 20 5 DHBDLN Cc1ccc(/C=C/CC(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000537769754 1032912880 /nfs/dbraw/zinc/91/28/80/1032912880.db2.gz OFIGHYFHXXYSQU-NSCUHMNNSA-N 0 2 312.325 3.651 20 5 DHBDLN O=c1nc(CSc2cccc([N+](=O)[O-])c2)[nH]c2ccsc21 ZINC000337934522 1033234219 /nfs/dbraw/zinc/23/42/19/1033234219.db2.gz FVKSXZLGZZNZRG-UHFFFAOYSA-N 0 2 319.367 3.597 20 5 DHBDLN O=C(Nc1ccc(-c2ccc[nH]2)cc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000354523603 1025450862 /nfs/dbraw/zinc/45/08/62/1025450862.db2.gz DCKRHWNNGUAELV-UHFFFAOYSA-N 0 2 323.308 3.548 20 5 DHBDLN CC(C)c1ccsc1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000155971020 1029350617 /nfs/dbraw/zinc/35/06/17/1029350617.db2.gz XSUWTBJYYCOIDT-UHFFFAOYSA-N 0 2 306.343 3.738 20 5 DHBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1ccc(-c2ccccc2)o1 ZINC000483438276 1035271171 /nfs/dbraw/zinc/27/11/71/1035271171.db2.gz LWFNGHOTFBITEJ-UHFFFAOYSA-N 0 2 324.292 3.813 20 5 DHBDLN Cc1c(NC(=O)c2cccc(Cl)c2O)cccc1[N+](=O)[O-] ZINC000775638242 1036137339 /nfs/dbraw/zinc/13/73/39/1036137339.db2.gz FBZRABOKLKGWQT-UHFFFAOYSA-N 0 2 306.705 3.515 20 5 DHBDLN C[C@@H](CCC(=O)Nc1ccc(O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000166154592 1038665681 /nfs/dbraw/zinc/66/56/81/1038665681.db2.gz PBDVYNILKMXVIX-LBPRGKRZSA-N 0 2 314.341 3.823 20 5 DHBDLN O=[N+]([O-])c1cc(-c2nc3cc(F)ccc3n2C2CC2)ccc1O ZINC000603836109 1039176335 /nfs/dbraw/zinc/17/63/35/1039176335.db2.gz OGSYYVPJZHSFGX-UHFFFAOYSA-N 0 2 313.288 3.791 20 5 DHBDLN Cc1[nH+]c2ccccc2n1CC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000122145410 132161616 /nfs/dbraw/zinc/16/16/16/132161616.db2.gz JNMUDWDYOPJSEH-CYBMUJFWSA-N 0 2 324.384 3.604 20 5 DHBDLN Cc1cc(Cl)ccc1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000092546104 332133393 /nfs/dbraw/zinc/13/33/93/332133393.db2.gz WXFBXFJXSNYJEL-UHFFFAOYSA-N 0 2 306.705 3.515 20 5 DHBDLN C[C@H]1CCCC[C@H]1c1noc(-c2ccc([N+](=O)[O-])c(O)c2)n1 ZINC000445239368 333689514 /nfs/dbraw/zinc/68/95/14/333689514.db2.gz ZPUGYYKGPVYWPV-GXSJLCMTSA-N 0 2 303.318 3.644 20 5 DHBDLN O=C(Nc1ccc(F)c(C2CC2)c1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000343972971 335208936 /nfs/dbraw/zinc/20/89/36/335208936.db2.gz MZJIGOFQOXWLAD-UHFFFAOYSA-N 0 2 316.288 3.569 20 5 DHBDLN CC(C)(C)c1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000324463487 336221863 /nfs/dbraw/zinc/22/18/63/336221863.db2.gz BYCLTHMPQMVFCI-UHFFFAOYSA-N 0 2 314.341 3.850 20 5 DHBDLN O=[N+]([O-])c1ccc(-c2nc(-c3cccc(Cl)c3)no2)cc1O ZINC000429866592 338091385 /nfs/dbraw/zinc/09/13/85/338091385.db2.gz ACNATTOJFKDRRV-UHFFFAOYSA-N 0 2 317.688 3.671 20 5 DHBDLN Cn1c2cc(Cl)ccc2nc1-c1ccc([N+](=O)[O-])c(O)c1 ZINC000432503423 338157853 /nfs/dbraw/zinc/15/78/53/338157853.db2.gz RVHBBDDKQKCFMS-UHFFFAOYSA-N 0 2 303.705 3.508 20 5 DHBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cc2ccccc2s1 ZINC000154021824 338235193 /nfs/dbraw/zinc/23/51/93/338235193.db2.gz GFQMFUZWGXSKMG-UHFFFAOYSA-N 0 2 314.322 3.767 20 5 DHBDLN C[C@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436740079 338284942 /nfs/dbraw/zinc/28/49/42/338284942.db2.gz PMEACNRSPDGVHB-RYUDHWBXSA-N 0 2 320.389 3.587 20 5 DHBDLN Cc1c(Cl)cccc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436869447 338290665 /nfs/dbraw/zinc/29/06/65/338290665.db2.gz LGPBNXDVXMPANT-UHFFFAOYSA-N 0 2 306.705 3.515 20 5 DHBDLN CSc1ccc(C)c(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c1 ZINC000436981414 338296564 /nfs/dbraw/zinc/29/65/64/338296564.db2.gz UBHWNKBZSKPFIN-UHFFFAOYSA-N 0 2 318.354 3.583 20 5 DHBDLN C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000491571221 339867445 /nfs/dbraw/zinc/86/74/45/339867445.db2.gz BFMKGZUFWARNJN-VXGBXAGGSA-N 0 2 320.389 3.587 20 5 DHBDLN Cc1c(Cl)cccc1NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000507838356 340233726 /nfs/dbraw/zinc/23/37/26/340233726.db2.gz YPVFZHNFNROPMC-UHFFFAOYSA-N 0 2 306.705 3.515 20 5 DHBDLN O=C(CCC1CCCCCC1)Nc1cc([N+](=O)[O-])ccc1O ZINC001295970815 1024447418 /nfs/dbraw/zinc/44/74/18/1024447418.db2.gz MCNJQQYWPUANAN-UHFFFAOYSA-N 0 2 306.362 3.990 20 5 DHBDLN C[C@@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1O)C1CCCCC1 ZINC001138013160 1028506820 /nfs/dbraw/zinc/50/68/20/1028506820.db2.gz IHJMHFAAQRADCV-NSHDSACASA-N 0 2 306.362 3.845 20 5 DHBDLN O=C(CCc1ccc(Cl)cc1)Nc1cc([N+](=O)[O-])ccc1O ZINC000535517230 1035675542 /nfs/dbraw/zinc/67/55/42/1035675542.db2.gz WGDSZQGTUBCALE-UHFFFAOYSA-N 0 2 320.732 3.525 20 5 DHBDLN C[C@H](CC(=O)Nc1ccc(O)c([N+](=O)[O-])c1)c1ccccc1F ZINC000155972186 1037256254 /nfs/dbraw/zinc/25/62/54/1037256254.db2.gz NDEBFKSTGSXJDH-SNVBAGLBSA-N 0 2 318.304 3.572 20 5 DHBDLN C[C@@H](c1ccccc1)n1ccc(Nc2ncccc2[N+](=O)[O-])n1 ZINC000610735287 430566285 /nfs/dbraw/zinc/56/62/85/430566285.db2.gz UMTRIZKZGBNNPW-LBPRGKRZSA-N 0 2 309.329 3.539 20 5 DHBDLN Cc1ccccc1[C@@H](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000535502917 334737012 /nfs/dbraw/zinc/73/70/12/334737012.db2.gz AJRGOAHLHPZXBB-LBPRGKRZSA-N 0 2 314.341 3.741 20 5 DHBDLN C[C@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000360705082 336719530 /nfs/dbraw/zinc/71/95/30/336719530.db2.gz NIKDSKSFRBVCBI-AAEUAGOBSA-N 0 2 320.389 3.587 20 5 DHBDLN CC(C)c1ccccc1N(C)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436779016 338286901 /nfs/dbraw/zinc/28/69/01/338286901.db2.gz INHJDQKXWYRDEE-UHFFFAOYSA-N 0 2 314.341 3.700 20 5 DHBDLN CC(C)C[C@H]1CCCCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436984920 338296865 /nfs/dbraw/zinc/29/68/65/338296865.db2.gz BTUWSVQWBYYYCX-CYBMUJFWSA-N 0 2 320.389 3.731 20 5 DHBDLN CC(C)(C)c1ccc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)s1 ZINC000483432840 339665604 /nfs/dbraw/zinc/66/56/04/339665604.db2.gz JWEVRMCESLRHST-UHFFFAOYSA-N 0 2 320.370 3.912 20 5 DHBDLN CC(C)CC1(C)CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])CC1 ZINC000494754641 339959385 /nfs/dbraw/zinc/95/93/85/339959385.db2.gz ZVGKMNUSRJLNKM-UHFFFAOYSA-N 0 2 320.389 3.589 20 5 DHBDLN CCCCC1CCC(NC(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000506850172 340202660 /nfs/dbraw/zinc/20/26/60/340202660.db2.gz WWSIIJVGFRSXLX-UHFFFAOYSA-N 0 2 320.389 3.779 20 5 DHBDLN Cc1ccc(NC(=O)c2cccc(O)c2[N+](=O)[O-])c(Cl)c1 ZINC000507916686 340235892 /nfs/dbraw/zinc/23/58/92/340235892.db2.gz CQQOKTFXIPSKLT-UHFFFAOYSA-N 0 2 306.705 3.515 20 5 DHBDLN O=C(Nc1cccc2ccccc21)c1cccc(O)c1[N+](=O)[O-] ZINC000540067633 340914159 /nfs/dbraw/zinc/91/41/59/340914159.db2.gz LSQMZSFTPZXNLG-UHFFFAOYSA-N 0 2 308.293 3.706 20 5 DHBDLN CC[C@H](Cc1ccccc1)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000548518827 341265410 /nfs/dbraw/zinc/26/54/10/341265410.db2.gz VJEVXMMXGOBSIF-CYBMUJFWSA-N 0 2 314.341 3.508 20 5 DHBDLN Cc1ccc2oc(C(=O)Nc3cc([N+](=O)[O-])ccc3O)cc2c1 ZINC000089531626 1032566410 /nfs/dbraw/zinc/56/64/10/1032566410.db2.gz ANXAKFFHYWISHV-UHFFFAOYSA-N 0 2 312.281 3.607 20 5 DHBDLN O=C(CCc1cccc(Cl)c1)Nc1cc([N+](=O)[O-])ccc1O ZINC000536199250 1018877950 /nfs/dbraw/zinc/87/79/50/1018877950.db2.gz VVZRDUQAJNCUFR-UHFFFAOYSA-N 0 2 320.732 3.525 20 5 DHBDLN CCc1ccc([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000611294735 1019434660 /nfs/dbraw/zinc/43/46/60/1019434660.db2.gz SDCZIAUFHYNHTB-NSHDSACASA-N 0 2 314.341 3.605 20 5 DHBDLN O=C(/C=C\c1ccc(Cl)s1)Nc1cc([N+](=O)[O-])ccc1O ZINC000770862369 1023353006 /nfs/dbraw/zinc/35/30/06/1023353006.db2.gz NTDGDLUTJGMIOI-UTCJRWHESA-N 0 2 324.745 3.667 20 5 DHBDLN CC[C@H](CC1CCCC1)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000483439472 1035271447 /nfs/dbraw/zinc/27/14/47/1035271447.db2.gz KUBAGFSJOXYWHC-GFCCVEGCSA-N 0 2 306.362 3.845 20 5 DHBDLN CN(C(=O)c1cccc(O)c1[N+](=O)[O-])[C@H]1CCC[C@@H]1C(C)(C)C ZINC000416283300 334659850 /nfs/dbraw/zinc/65/98/50/334659850.db2.gz FGVWHVZSCXQMMM-STQMWFEESA-N 0 2 320.389 3.587 20 5 DHBDLN CC(C)(C)[C@H]1CCCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000324486911 336222921 /nfs/dbraw/zinc/22/29/21/336222921.db2.gz HQLAZLRNNITHNN-LBPRGKRZSA-N 0 2 320.389 3.589 20 5 DHBDLN O=C(CCc1ccccc1Cl)Nc1cc([N+](=O)[O-])ccc1O ZINC000216597364 336275294 /nfs/dbraw/zinc/27/52/94/336275294.db2.gz FSYZOMVQTKAAQE-UHFFFAOYSA-N 0 2 320.732 3.525 20 5 DHBDLN COc1cc(-c2nc3ccc(Cl)cc3[nH]2)cc([N+](=O)[O-])c1O ZINC000436559748 338277163 /nfs/dbraw/zinc/27/71/63/338277163.db2.gz YXZWMKNWOYRXOS-UHFFFAOYSA-N 0 2 319.704 3.506 20 5 DHBDLN CCCn1c2cccc(F)c2nc1-c1ccc(O)c([N+](=O)[O-])c1 ZINC000436657920 338281807 /nfs/dbraw/zinc/28/18/07/338281807.db2.gz SKHFJGGHUBDRFB-UHFFFAOYSA-N 0 2 315.304 3.866 20 5 DHBDLN C[C@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436750129 338285355 /nfs/dbraw/zinc/28/53/55/338285355.db2.gz VQQJEYPALXUVAQ-NWDGAFQWSA-N 0 2 320.389 3.587 20 5 DHBDLN CC(C)C1CCC(N(C)C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000436951859 338295581 /nfs/dbraw/zinc/29/55/81/338295581.db2.gz UHHJDGNBAIQCKZ-UHFFFAOYSA-N 0 2 320.389 3.587 20 5 DHBDLN CC(C)(C)[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000436972025 338296276 /nfs/dbraw/zinc/29/62/76/338296276.db2.gz MGJUGBRNLIFVOL-GFCCVEGCSA-N 0 2 320.389 3.589 20 5 DHBDLN CSc1cccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c1C ZINC000436982325 338296696 /nfs/dbraw/zinc/29/66/96/338296696.db2.gz XDGDVGVMBGCPIE-UHFFFAOYSA-N 0 2 318.354 3.583 20 5 DHBDLN C[C@H](C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000483433942 339665548 /nfs/dbraw/zinc/66/55/48/339665548.db2.gz MZUPXRLNBITBPT-VIFPVBQESA-N 0 2 320.732 3.696 20 5 DHBDLN C[C@@H](CC(=O)Nc1ccc(O)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000544403739 341080478 /nfs/dbraw/zinc/08/04/78/341080478.db2.gz BPUUUVSYIKIWLJ-JTQLQIEISA-N 0 2 318.304 3.572 20 5 DHBDLN O=C(CC/C=C/c1ccccc1)Nc1cc([N+](=O)[O-])ccc1O ZINC000089541001 1032691069 /nfs/dbraw/zinc/69/10/69/1032691069.db2.gz VNLMKSZWPNQZKV-XBXARRHUSA-N 0 2 312.325 3.733 20 5 DHBDLN Cc1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1Cl ZINC000235895166 1020050728 /nfs/dbraw/zinc/05/07/28/1020050728.db2.gz FCWXKTMXXNIAKF-UHFFFAOYSA-N 0 2 306.705 3.515 20 5 DHBDLN Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1Cl ZINC000230303043 1020564868 /nfs/dbraw/zinc/56/48/68/1020564868.db2.gz FLMNXKWFDJBKOV-UHFFFAOYSA-N 0 2 306.705 3.515 20 5 DHBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1cc2ccccc2s1 ZINC000183908696 1022541404 /nfs/dbraw/zinc/54/14/04/1022541404.db2.gz YPVLFGBKAMDOCB-UHFFFAOYSA-N 0 2 314.322 3.767 20 5 DHBDLN O=C(Nc1ccc(C2CCC2)cc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000355492656 1025744105 /nfs/dbraw/zinc/74/41/05/1025744105.db2.gz QSSLHISNFYHDDB-UHFFFAOYSA-N 0 2 312.325 3.820 20 5 DHBDLN C[C@H](CCC(=O)Nc1ccc(O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000166154718 1038665799 /nfs/dbraw/zinc/66/57/99/1038665799.db2.gz PBDVYNILKMXVIX-GFCCVEGCSA-N 0 2 314.341 3.823 20 5 DHBDLN CC(C)(C)c1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000322991058 331583633 /nfs/dbraw/zinc/58/36/33/331583633.db2.gz YUYCUOBTVXPRKN-UHFFFAOYSA-N 0 2 314.341 3.850 20 5 DHBDLN Cc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1Cl ZINC000092547510 332133375 /nfs/dbraw/zinc/13/33/75/332133375.db2.gz FXNSTWWPKHESIH-UHFFFAOYSA-N 0 2 306.705 3.515 20 5 DHBDLN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c(Cl)c1 ZINC000183296621 333054022 /nfs/dbraw/zinc/05/40/22/333054022.db2.gz JDJBHXOGJWHTLA-UHFFFAOYSA-N 0 2 306.705 3.515 20 5 DHBDLN Cc1ccc(NC(=O)c2cc(F)c(O)c(Cl)c2)cc1[N+](=O)[O-] ZINC000184165562 333342963 /nfs/dbraw/zinc/34/29/63/333342963.db2.gz WJJGWWBIDMTYPS-UHFFFAOYSA-N 0 2 324.695 3.654 20 5 DHBDLN CCSc1cccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])c1 ZINC000353059929 336392002 /nfs/dbraw/zinc/39/20/02/336392002.db2.gz DYQWTKBZZUDERY-UHFFFAOYSA-N 0 2 318.354 3.665 20 5 DHBDLN C[C@@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1O)c1ccccc1F ZINC000089531148 337870881 /nfs/dbraw/zinc/87/08/81/337870881.db2.gz BIQWJIQWTOSOPD-JTQLQIEISA-N 0 2 318.304 3.572 20 5 DHBDLN CC(C)(C)[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000436999064 338297335 /nfs/dbraw/zinc/29/73/35/338297335.db2.gz IPEDEPAKRAVSBQ-GFCCVEGCSA-N 0 2 320.389 3.589 20 5 DHBDLN CC(C)(C)SCCCC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000183907858 518910051 /nfs/dbraw/zinc/91/00/51/518910051.db2.gz GNVDOMFULUCXCR-UHFFFAOYSA-N 0 2 312.391 3.551 20 5 DHBDLN CC(C)(C)[C@H]1CCCN(C(=O)c2cccc(O)c2[N+](=O)[O-])CC1 ZINC000339280165 518974994 /nfs/dbraw/zinc/97/49/94/518974994.db2.gz GJIJAQGTEUGROI-LBPRGKRZSA-N 0 2 320.389 3.589 20 5 DHBDLN CC(=O)c1ccc(Cl)c(Nc2ccc(O)c([N+](=O)[O-])c2)c1 ZINC001210397914 1013831693 /nfs/dbraw/zinc/83/16/93/1013831693.db2.gz ICJMSRNZQDLICX-UHFFFAOYSA-N 0 2 306.705 3.900 20 5 DHBDLN Cc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c(C)cc1Cl ZINC000476498501 1032238556 /nfs/dbraw/zinc/23/85/56/1032238556.db2.gz DHDBAONYSWHRJU-UHFFFAOYSA-N 0 2 320.732 3.823 20 5 DHBDLN O=C(/C=C/Sc1ccccc1)Nc1cc([N+](=O)[O-])ccc1O ZINC000770858371 1023352394 /nfs/dbraw/zinc/35/23/94/1023352394.db2.gz SUTCAPZGFRSJRJ-CMDGGOBGSA-N 0 2 316.338 3.545 20 5 DHBDLN CCc1ccc(N(CC)C(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000772114040 1023515845 /nfs/dbraw/zinc/51/58/45/1023515845.db2.gz TXANPTHEBVDRSG-UHFFFAOYSA-N 0 2 314.341 3.530 20 5 DHBDLN CCC1(CC)CCCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000355172482 1025620997 /nfs/dbraw/zinc/62/09/97/1025620997.db2.gz OHWWTJFWHFLPGY-UHFFFAOYSA-N 0 2 320.389 3.733 20 5 DHBDLN Cc1ccc2c(Nc3ccc(C(=O)[O-])c([N+](=O)[O-])c3)cccc2[nH+]1 ZINC001174507326 1034463690 /nfs/dbraw/zinc/46/36/90/1034463690.db2.gz IXNRJBQAEWUKKS-UHFFFAOYSA-N 0 2 323.308 3.893 20 5 DHBDLN Cc1ccc(C(C)(C)C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000534068122 1040702249 /nfs/dbraw/zinc/70/22/49/1040702249.db2.gz KQZHQMQIWNIUSD-UHFFFAOYSA-N 0 2 314.341 3.525 20 5 DHBDLN Cc1ccc(Cl)c(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c1 ZINC000183280788 333054051 /nfs/dbraw/zinc/05/40/51/333054051.db2.gz XHUZKRQQFSXSJZ-UHFFFAOYSA-N 0 2 306.705 3.515 20 5 DHBDLN Cc1cc(Cl)ccc1NC(=O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000183327565 333055262 /nfs/dbraw/zinc/05/52/62/333055262.db2.gz HCPXYROBZCONBU-UHFFFAOYSA-N 0 2 306.705 3.515 20 5 DHBDLN CN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000416320006 334662974 /nfs/dbraw/zinc/66/29/74/334662974.db2.gz ZALHIUFLNJTITP-STQMWFEESA-N 0 2 320.389 3.587 20 5 DHBDLN CCSc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000351484513 336037824 /nfs/dbraw/zinc/03/78/24/336037824.db2.gz LXYNYRLASULNAL-UHFFFAOYSA-N 0 2 318.354 3.665 20 5 DHBDLN CCC[C@H](NC(=O)c1cccc(O)c1[N+](=O)[O-])c1ccccc1 ZINC000358104887 336611899 /nfs/dbraw/zinc/61/18/99/336611899.db2.gz ZSAGPZGKSVBGAD-AWEZNQCLSA-N 0 2 314.341 3.572 20 5 DHBDLN CCC[C@@H](NC(=O)c1cccc(O)c1[N+](=O)[O-])c1ccccc1 ZINC000358104888 336611914 /nfs/dbraw/zinc/61/19/14/336611914.db2.gz ZSAGPZGKSVBGAD-CQSZACIVSA-N 0 2 314.341 3.572 20 5 DHBDLN O=C(Nc1cccc(C2CCC2)c1)c1cccc(O)c1[N+](=O)[O-] ZINC000428491365 338054950 /nfs/dbraw/zinc/05/49/50/338054950.db2.gz VHOFBNUISSDVLB-UHFFFAOYSA-N 0 2 312.325 3.820 20 5 DHBDLN O=[N+]([O-])c1ccc(-c2nc(-c3cc4ccccc4o3)no2)cc1O ZINC000429877545 338091352 /nfs/dbraw/zinc/09/13/52/338091352.db2.gz MBDYENAROVGEGI-UHFFFAOYSA-N 0 2 323.264 3.764 20 5 DHBDLN CC(C)C1CCC(N(C)C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000432556570 338158840 /nfs/dbraw/zinc/15/88/40/338158840.db2.gz XSHZOEDDCNJRMI-UHFFFAOYSA-N 0 2 320.389 3.587 20 5 DHBDLN O=[N+]([O-])c1cc(-c2nc3c(cccc3F)n2C2CC2)ccc1O ZINC000436657883 338281835 /nfs/dbraw/zinc/28/18/35/338281835.db2.gz RVXPJKBFOYXORH-UHFFFAOYSA-N 0 2 313.288 3.791 20 5 DHBDLN C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436740082 338284852 /nfs/dbraw/zinc/28/48/52/338284852.db2.gz PMEACNRSPDGVHB-VXGBXAGGSA-N 0 2 320.389 3.587 20 5 DHBDLN CC(C)C[C@@H]1CCCCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436984921 338296830 /nfs/dbraw/zinc/29/68/30/338296830.db2.gz BTUWSVQWBYYYCX-ZDUSSCGKSA-N 0 2 320.389 3.731 20 5 DHBDLN Cc1ccc(Cl)cc1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000221014496 340520801 /nfs/dbraw/zinc/52/08/01/340520801.db2.gz ICVBSPIHDDNJKS-UHFFFAOYSA-N 0 2 306.705 3.515 20 5 DHBDLN O=[N+]([O-])c1ccc(-c2nc([C@@H]3C[C@@H]3c3ccccc3)no2)cc1O ZINC000338063157 527342497 /nfs/dbraw/zinc/34/24/97/527342497.db2.gz AXDYFGNIYUKAEA-CHWSQXEVSA-N 0 2 323.308 3.622 20 5 DHBDLN Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)c1cccc(Cl)c1O ZINC001270144732 1012781206 /nfs/dbraw/zinc/78/12/06/1012781206.db2.gz OOPNXMMFAPUUPQ-UHFFFAOYSA-N 0 2 324.695 3.654 20 5 DHBDLN Cc1ccc(Cl)cc1NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000235757105 1019905977 /nfs/dbraw/zinc/90/59/77/1019905977.db2.gz PPORJDQDLIRKIP-UHFFFAOYSA-N 0 2 306.705 3.515 20 5 DHBDLN Cc1ccccc1[C@@H](C)CC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000183912928 1022541767 /nfs/dbraw/zinc/54/17/67/1022541767.db2.gz RFXPAWNSPIOFCV-LBPRGKRZSA-N 0 2 314.341 3.741 20 5 DHBDLN Cc1c2ccccc2oc1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000183914335 1022551930 /nfs/dbraw/zinc/55/19/30/1022551930.db2.gz VGEOGKNPQPEVSP-UHFFFAOYSA-N 0 2 312.281 3.607 20 5 DHBDLN Cc1coc2ccc(NC(=O)c3cc(O)ccc3[N+](=O)[O-])cc12 ZINC000354839628 1025520906 /nfs/dbraw/zinc/52/09/06/1025520906.db2.gz QSWHJSYHUAPORW-UHFFFAOYSA-N 0 2 312.281 3.607 20 5 DHBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc(-c2ccccc2)o1 ZINC000541454192 1036333269 /nfs/dbraw/zinc/33/32/69/1036333269.db2.gz JNDWRPBOMBZZJI-UHFFFAOYSA-N 0 2 324.292 3.813 20 5 DHBDLN O=[N+]([O-])c1cccc(-c2noc(-c3ccc(O)c(Cl)c3)n2)c1 ZINC000387059567 1037054636 /nfs/dbraw/zinc/05/46/36/1037054636.db2.gz KYJFDUILSLMVRI-UHFFFAOYSA-N 0 2 317.688 3.671 20 5 DHBDLN Cc1nn(-c2ccccc2)cc1Nc1sccc1[N+](=O)[O-] ZINC001186071238 1037301225 /nfs/dbraw/zinc/30/12/25/1037301225.db2.gz YGASVFYUQAILDC-UHFFFAOYSA-N 0 2 300.343 3.894 20 5 DHBDLN CC(C)(CC(=O)Nc1cc([N+](=O)[O-])ccc1O)CC(F)(F)F ZINC000901218475 1038187914 /nfs/dbraw/zinc/18/79/14/1038187914.db2.gz SRZNOQVGWMMCDN-UHFFFAOYSA-N 0 2 320.267 3.608 20 5 DHBDLN C[C@H](c1ccccc1)n1ccc(Nc2ncc([N+](=O)[O-])s2)n1 ZINC000619696687 435374688 /nfs/dbraw/zinc/37/46/88/435374688.db2.gz OTLLVIJRVRMXDI-SNVBAGLBSA-N 0 2 315.358 3.601 20 5 DHBDLN Cc1cccc(C(C)C)c1NC(=O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000183022990 333051846 /nfs/dbraw/zinc/05/18/46/333051846.db2.gz SHGKZIAPMJQZAN-UHFFFAOYSA-N 0 2 314.341 3.985 20 5 DHBDLN CCN(C(=O)c1ccc(O)c([N+](=O)[O-])c1)c1cc(C)cc(C)c1 ZINC000183461852 333058518 /nfs/dbraw/zinc/05/85/18/333058518.db2.gz UEQUTZMUMMDZIW-UHFFFAOYSA-N 0 2 314.341 3.584 20 5 DHBDLN CSc1ccc(C)c(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000344905844 335284657 /nfs/dbraw/zinc/28/46/57/335284657.db2.gz XAEFTLLKFLVHGF-UHFFFAOYSA-N 0 2 318.354 3.583 20 5 DHBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc2c(c1)CCC=C2 ZINC000433387988 338194441 /nfs/dbraw/zinc/19/44/41/338194441.db2.gz SPSNWCPWXFLHBB-UHFFFAOYSA-N 0 2 310.309 3.512 20 5 DHBDLN C[C@@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436740070 338285100 /nfs/dbraw/zinc/28/51/00/338285100.db2.gz PMEACNRSPDGVHB-NEPJUHHUSA-N 0 2 320.389 3.587 20 5 DHBDLN Cc1cc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)ccc1C1CC1 ZINC000436953041 338295485 /nfs/dbraw/zinc/29/54/85/338295485.db2.gz ZORNHMYYKBYFJZ-UHFFFAOYSA-N 0 2 312.325 3.739 20 5 DHBDLN CC(C)C[C@H]1CCCCCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436965611 338296095 /nfs/dbraw/zinc/29/60/95/338296095.db2.gz LCGMISFMAYKIRF-CYBMUJFWSA-N 0 2 320.389 3.731 20 5 DHBDLN O=[N+]([O-])c1ccc(/C=C\c2ccc3cccc(O)c3n2)cc1O ZINC000498304507 339325362 /nfs/dbraw/zinc/32/53/62/339325362.db2.gz FQMAWZLAJJXMCG-DAXSKMNVSA-N 0 2 308.293 3.725 20 5 DHBDLN CC(C)(C)c1ccc(NC(=O)c2cccc(O)c2[N+](=O)[O-])cc1 ZINC000507847874 340234054 /nfs/dbraw/zinc/23/40/54/340234054.db2.gz QBIZESNOZILKMI-UHFFFAOYSA-N 0 2 314.341 3.850 20 5 DHBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cccc2ccsc21 ZINC000344061941 341858110 /nfs/dbraw/zinc/85/81/10/341858110.db2.gz KRDLWNZKLIFCCM-UHFFFAOYSA-N 0 2 314.322 3.767 20 5 DHBDLN Cc1cc(C(=O)Nc2cc(F)cc(Cl)c2O)ccc1[N+](=O)[O-] ZINC000474440257 1015362328 /nfs/dbraw/zinc/36/23/28/1015362328.db2.gz 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ZINC000186369118 333373323 /nfs/dbraw/zinc/37/33/23/333373323.db2.gz ADVJBTOTGNZISX-UHFFFAOYSA-N 0 2 318.354 3.665 20 5 DHBDLN CN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000416320003 334663091 /nfs/dbraw/zinc/66/30/91/334663091.db2.gz ZALHIUFLNJTITP-CHWSQXEVSA-N 0 2 320.389 3.587 20 5 DHBDLN Cc1ccsc1CCCC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000166150178 335592759 /nfs/dbraw/zinc/59/27/59/335592759.db2.gz UGDABBPLIZLUSS-UHFFFAOYSA-N 0 2 320.370 3.632 20 5 DHBDLN CCC1(CC)CCCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000436825367 338288814 /nfs/dbraw/zinc/28/88/14/338288814.db2.gz FVYVEYJOQLYOTE-UHFFFAOYSA-N 0 2 320.389 3.733 20 5 DHBDLN Cn1c2cc(Cl)ccc2nc1-c1ccc(O)c([N+](=O)[O-])c1 ZINC000436952669 338295448 /nfs/dbraw/zinc/29/54/48/338295448.db2.gz XPTCQLVVMROHJU-UHFFFAOYSA-N 0 2 303.705 3.508 20 5 DHBDLN O=C(Nc1ccc(-c2ccc[nH]2)cc1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000436982785 338296633 /nfs/dbraw/zinc/29/66/33/338296633.db2.gz YRPWNTOKSXDWTE-UHFFFAOYSA-N 0 2 323.308 3.548 20 5 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ZINC000166116485 1038646151 /nfs/dbraw/zinc/64/61/51/1038646151.db2.gz GHWIYYHLLYPLCJ-CYBMUJFWSA-N 0 2 318.304 3.572 20 5 DHBDLN C[C@@H]1CCC[C@H](c2noc(-c3ccc([N+](=O)[O-])c(O)c3)n2)C1 ZINC000445211668 332146973 /nfs/dbraw/zinc/14/69/73/332146973.db2.gz KTYBKXWQYZYVHF-ZJUUUORDSA-N 0 2 303.318 3.644 20 5 DHBDLN O=[N+]([O-])c1ccc(-c2nc3ccc(F)cc3n2C2CC2)cc1O ZINC000534628257 334304735 /nfs/dbraw/zinc/30/47/35/334304735.db2.gz PCZJGCOZOLJCLW-UHFFFAOYSA-N 0 2 313.288 3.791 20 5 DHBDLN CCC(CC)N(CC(C)C)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000343739254 335189859 /nfs/dbraw/zinc/18/98/59/335189859.db2.gz MLZYBFMQQJXVGV-UHFFFAOYSA-N 0 2 308.378 3.587 20 5 DHBDLN Cc1ccc2oc(C(=O)Nc3ccc(O)c([N+](=O)[O-])c3)cc2c1 ZINC000346895580 335449283 /nfs/dbraw/zinc/44/92/83/335449283.db2.gz LDXZXJINOQPRKI-UHFFFAOYSA-N 0 2 312.281 3.607 20 5 DHBDLN Cc1cc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])ccc1C1CC1 ZINC000354899427 336487059 /nfs/dbraw/zinc/48/70/59/336487059.db2.gz KUWDOYCASFWJTK-UHFFFAOYSA-N 0 2 312.325 3.739 20 5 DHBDLN C[C@@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000360705085 336719505 /nfs/dbraw/zinc/71/95/05/336719505.db2.gz NIKDSKSFRBVCBI-YPMHNXCESA-N 0 2 320.389 3.587 20 5 DHBDLN O=C(Nc1ccc(C2CCC2)cc1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000436824148 338288822 /nfs/dbraw/zinc/28/88/22/338288822.db2.gz ZDGHKXDZHFAACU-UHFFFAOYSA-N 0 2 312.325 3.820 20 5 DHBDLN CCC(CC)N(CC(C)C)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436868278 338290654 /nfs/dbraw/zinc/29/06/54/338290654.db2.gz GUJBNQJOVPBTNE-UHFFFAOYSA-N 0 2 308.378 3.587 20 5 DHBDLN CC(C)C1CCC(N(C)C(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000436952646 338295625 /nfs/dbraw/zinc/29/56/25/338295625.db2.gz YCIOGJLFZHNJDZ-UHFFFAOYSA-N 0 2 320.389 3.587 20 5 DHBDLN Cc1c2ccccc2oc1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000120881349 1013546950 /nfs/dbraw/zinc/54/69/50/1013546950.db2.gz SFTCWHFUQNWSBF-UHFFFAOYSA-N 0 2 312.281 3.607 20 5 DHBDLN CC(C)CONc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000788077819 1023849087 /nfs/dbraw/zinc/84/90/87/1023849087.db2.gz YQAKMIPYGXFVPL-UHFFFAOYSA-N 0 2 317.345 3.568 20 5 DHBDLN CC(C)(Cc1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000049750489 1023871058 /nfs/dbraw/zinc/87/10/58/1023871058.db2.gz QGKLUWPRQZUXJR-UHFFFAOYSA-N 0 2 314.341 3.508 20 5 DHBDLN Cc1ccc(OCc2cc([N+](=O)[O-])cc3c2OCOC3)c(C)c1 ZINC000005476000 181248218 /nfs/dbraw/zinc/24/82/18/181248218.db2.gz RNYLHZDEFQLRTE-UHFFFAOYSA-N 0 2 315.325 3.657 20 5 DHBDLN O=C(Nc1cccc2ccccc21)c1ccc(O)c([N+](=O)[O-])c1 ZINC000183327340 333055359 /nfs/dbraw/zinc/05/53/59/333055359.db2.gz QSWFCHAILHNXDU-UHFFFAOYSA-N 0 2 308.293 3.706 20 5 DHBDLN Cc1cc(Cl)ccc1NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000314343132 333103774 /nfs/dbraw/zinc/10/37/74/333103774.db2.gz HRULKDPYQTXWNH-UHFFFAOYSA-N 0 2 306.705 3.515 20 5 DHBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cc2sccc2s1 ZINC000221010627 334368405 /nfs/dbraw/zinc/36/84/05/334368405.db2.gz JYGXEKTYGRHPCY-UHFFFAOYSA-N 0 2 320.351 3.829 20 5 DHBDLN CC(F)(F)c1cccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])c1 ZINC000355047101 336493088 /nfs/dbraw/zinc/49/30/88/336493088.db2.gz SQMYGSGOUPZYDF-UHFFFAOYSA-N 0 2 322.267 3.664 20 5 DHBDLN CC(C)c1ccoc1-c1noc(-c2ccc([N+](=O)[O-])c(O)c2)n1 ZINC000426240762 338023658 /nfs/dbraw/zinc/02/36/58/338023658.db2.gz BFVZMJLHNSOMDZ-UHFFFAOYSA-N 0 2 315.285 3.734 20 5 DHBDLN CCc1cccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1CC ZINC000489525081 339811803 /nfs/dbraw/zinc/81/18/03/339811803.db2.gz RORXZAGKIUVQEV-UHFFFAOYSA-N 0 2 314.341 3.678 20 5 DHBDLN Cc1ccc(CCCC(=O)Nc2cc([N+](=O)[O-])ccc2O)s1 ZINC000135342113 341237300 /nfs/dbraw/zinc/23/73/00/341237300.db2.gz PBLUQXRNYQRENM-UHFFFAOYSA-N 0 2 320.370 3.632 20 5 DHBDLN O=C(Nc1cccc2ccsc21)c1ccc([N+](=O)[O-])c(O)c1 ZINC000337424441 341812015 /nfs/dbraw/zinc/81/20/15/341812015.db2.gz WBZJKSDLTYJWPD-UHFFFAOYSA-N 0 2 314.322 3.767 20 5 DHBDLN O=C(Cc1cccc2ccccc21)Nc1cc([N+](=O)[O-])ccc1O ZINC000059354247 1017773590 /nfs/dbraw/zinc/77/35/90/1017773590.db2.gz ZJOAVARDMWZUGM-UHFFFAOYSA-N 0 2 322.320 3.635 20 5 DHBDLN Cc1c(Cl)cccc1NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000235726826 1019847112 /nfs/dbraw/zinc/84/71/12/1019847112.db2.gz LSWRJQKTDRSOLV-UHFFFAOYSA-N 0 2 306.705 3.515 20 5 DHBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cccc(-c2ccoc2)c1 ZINC000092549104 1020331322 /nfs/dbraw/zinc/33/13/22/1020331322.db2.gz VNSFIWUIMOPEMT-UHFFFAOYSA-N 0 2 324.292 3.813 20 5 DHBDLN CC(C)c1ccc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)s1 ZINC000166147132 1023004354 /nfs/dbraw/zinc/00/43/54/1023004354.db2.gz IQKHFSYNIWIQLB-UHFFFAOYSA-N 0 2 306.343 3.738 20 5 DHBDLN C[C@H](Sc1n[nH]c(C(C)(C)C)n1)c1cccc([N+](=O)[O-])c1 ZINC000028856353 1025274359 /nfs/dbraw/zinc/27/43/59/1025274359.db2.gz MUVWLHRLFAFAKX-VIFPVBQESA-N 0 2 306.391 3.864 20 5 DHBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1ccc2sccc2c1 ZINC000776204333 1037853807 /nfs/dbraw/zinc/85/38/07/1037853807.db2.gz LZXKYKSZTVGATL-UHFFFAOYSA-N 0 2 314.322 3.767 20 5 DHBDLN CCSc1ccccc1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000776205330 1037859045 /nfs/dbraw/zinc/85/90/45/1037859045.db2.gz XSODTRIECVKLHL-UHFFFAOYSA-N 0 2 318.354 3.665 20 5 DHBDLN CC(C)(c1noc([C@@H]2C[C@H]2[N+](=O)[O-])n1)c1ccc2ccccc2c1 ZINC000867068825 1038564633 /nfs/dbraw/zinc/56/46/33/1038564633.db2.gz GPQPTQSRJABUBL-HUUCEWRRSA-N 0 2 323.352 3.681 20 5 DHBDLN CCCCN(C(=O)c1ccc(O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000183067418 333052098 /nfs/dbraw/zinc/05/20/98/333052098.db2.gz VYEQLRTYIPRVKW-UHFFFAOYSA-N 0 2 314.341 3.747 20 5 DHBDLN C[C@H](c1cccs1)c1noc(-c2ccc([N+](=O)[O-])c(O)c2)n1 ZINC000445230827 333622286 /nfs/dbraw/zinc/62/22/86/333622286.db2.gz MHISMYZCURAWJG-MRVPVSSYSA-N 0 2 317.326 3.564 20 5 DHBDLN Cc1cccc(C(C)C)c1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000187665869 334268783 /nfs/dbraw/zinc/26/87/83/334268783.db2.gz INEGOOUURRIZDL-UHFFFAOYSA-N 0 2 314.341 3.985 20 5 DHBDLN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc(C)c1Cl ZINC000443181129 338446387 /nfs/dbraw/zinc/44/63/87/338446387.db2.gz RYHAMJYFLDTKHR-UHFFFAOYSA-N 0 2 320.732 3.823 20 5 DHBDLN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1Cl ZINC000070870492 337086562 /nfs/dbraw/zinc/08/65/62/337086562.db2.gz PKSBGUXHFXAEFX-UHFFFAOYSA-N 0 2 306.705 3.515 20 5 DHBDLN CC(C)CC1(C)CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000436766067 338286292 /nfs/dbraw/zinc/28/62/92/338286292.db2.gz ZKMWMMKMZVMQPS-UHFFFAOYSA-N 0 2 320.389 3.589 20 5 DHBDLN CC(C)CC[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436889187 338291917 /nfs/dbraw/zinc/29/19/17/338291917.db2.gz QFHDFIRFDHYOSH-CYBMUJFWSA-N 0 2 320.389 3.731 20 5 DHBDLN O=C(Nc1csc2ccccc12)c1ccc(O)c([N+](=O)[O-])c1 ZINC000436986551 338296791 /nfs/dbraw/zinc/29/67/91/338296791.db2.gz GNJRSSJMZSPFAG-UHFFFAOYSA-N 0 2 314.322 3.767 20 5 DHBDLN CC(C)c1cccc(N(C)C(=O)c2cc(O)ccc2[N+](=O)[O-])c1 ZINC000469625935 339294737 /nfs/dbraw/zinc/29/47/37/339294737.db2.gz SXRLBHRZRGANRF-UHFFFAOYSA-N 0 2 314.341 3.700 20 5 DHBDLN