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-])cc1CSc1nnc2n1CCCCC2 ZINC000412981685 295665697 /nfs/dbraw/zinc/66/56/97/295665697.db2.gz WCLCGBXOWGHUHB-UHFFFAOYSA-N -1 0 320.374 2.911 20 5 DFBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCC[C@@H]1c1ccc[nH]1 ZINC000079446877 185172015 /nfs/dbraw/zinc/17/20/15/185172015.db2.gz MPHPJCJCGVNYDJ-GFCCVEGCSA-N -1 0 301.302 2.606 20 5 DFBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@@H]1OCCc2ccccc21 ZINC000092547555 185325079 /nfs/dbraw/zinc/32/50/79/185325079.db2.gz NZIUKLUMWQSSOK-OAHLLOKOSA-N -1 0 314.297 2.553 20 5 DFBDRM CCOCCC1(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])CCC1 ZINC000092546107 185325229 /nfs/dbraw/zinc/32/52/29/185325229.db2.gz YQACDJWADIEQOL-UHFFFAOYSA-N -1 0 308.334 2.836 20 5 DFBDRM CC(C)OC1CCC(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000586800543 398461867 /nfs/dbraw/zinc/46/18/67/398461867.db2.gz HXPCORPFYCEQCD-UHFFFAOYSA-N 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199364455 /nfs/dbraw/zinc/36/44/55/199364455.db2.gz KMFYANYOFWGXRO-AWEZNQCLSA-N -1 0 313.313 2.673 20 5 DFBDRM Cc1cnccc1CCNc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000592972933 398512661 /nfs/dbraw/zinc/51/26/61/398512661.db2.gz JDHKKFVVFOGNSG-UHFFFAOYSA-N -1 0 315.329 2.959 20 5 DFBDRM CC(C)[C@H]1OCC[C@@H]1CNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000592977149 398512714 /nfs/dbraw/zinc/51/27/14/398512714.db2.gz DXHOJPNRDMINDQ-QMTHXVAHSA-N -1 0 308.334 2.766 20 5 DFBDRM Cc1cc(N[C@H]2CCOC(C)(C)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000592972766 398512761 /nfs/dbraw/zinc/51/27/61/398512761.db2.gz ZAWYVIKQTLIEKV-JTQLQIEISA-N -1 0 308.334 2.971 20 5 DFBDRM CC(C)[C@@H]1OCC[C@@H]1CNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000592977150 398512876 /nfs/dbraw/zinc/51/28/76/398512876.db2.gz DXHOJPNRDMINDQ-YGRLFVJLSA-N -1 0 308.334 2.766 20 5 DFBDRM C[C@@H]1C[C@@H](CNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000592978455 398513518 /nfs/dbraw/zinc/51/35/18/398513518.db2.gz GZFDLORJLLWTFJ-JGPRNRPPSA-N 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209871709 /nfs/dbraw/zinc/87/17/09/209871709.db2.gz YMJUIGJEEAQBDW-UHFFFAOYSA-N -1 0 304.302 2.944 20 5 DFBDRM CC(C)CSCCCNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000152615722 186089774 /nfs/dbraw/zinc/08/97/74/186089774.db2.gz KMHLSAJUDHGMBI-UHFFFAOYSA-N -1 0 312.391 2.810 20 5 DFBDRM CO[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1[O-])C1CCCCC1 ZINC000597442977 398641964 /nfs/dbraw/zinc/64/19/64/398641964.db2.gz PRYGVUIYARXURW-CQSZACIVSA-N -1 0 308.334 2.834 20 5 DFBDRM C[C@H]1OCCC[C@H]1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000189985871 186258922 /nfs/dbraw/zinc/25/89/22/186258922.db2.gz JCCXRFOVSZZJGQ-VXNVDRBHSA-N -1 0 314.725 2.707 20 5 DFBDRM CC(C)(O)C1CCC(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC000593596295 398659249 /nfs/dbraw/zinc/65/92/49/398659249.db2.gz OYMJGWXWRSZLIO-UHFFFAOYSA-N -1 0 322.361 2.816 20 5 DFBDRM O=C([O-])c1cccc2c1CN(Cc1csc([N+](=O)[O-])c1)CC2 ZINC000593750493 398681149 /nfs/dbraw/zinc/68/11/49/398681149.db2.gz HLOQVQRXTDJUMK-UHFFFAOYSA-N -1 0 318.354 2.913 20 5 DFBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCS[C@H]2CCCC[C@@H]21 ZINC000182089539 199385810 /nfs/dbraw/zinc/38/58/10/199385810.db2.gz XSLAYGYZTHXJOU-JSGCOSHPSA-N -1 0 322.386 2.801 20 5 DFBDRM CCC(CC)(C(=O)[O-])C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000593925199 398703658 /nfs/dbraw/zinc/70/36/58/398703658.db2.gz QIRLRQUBPNJNMJ-NSHDSACASA-N -1 0 322.361 2.971 20 5 DFBDRM CC[C@H](C(=O)[O-])N(C)C(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000593922667 398703798 /nfs/dbraw/zinc/70/37/98/398703798.db2.gz DRSSMRLZJODFFL-GFCCVEGCSA-N -1 0 308.334 2.653 20 5 DFBDRM O=C([O-])c1ccnc(NC[C@H]2CCC3(CCCC3)O2)c1[N+](=O)[O-] ZINC000593947983 398707048 /nfs/dbraw/zinc/70/70/48/398707048.db2.gz QDEJMLWTDSDSSW-SNVBAGLBSA-N -1 0 321.333 2.592 20 5 DFBDRM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@@H](C(=O)[O-])C(C)C ZINC000593960604 398708844 /nfs/dbraw/zinc/70/88/44/398708844.db2.gz ANGRXVWGSWROIT-LLVKDONJSA-N -1 0 323.349 2.690 20 5 DFBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CCC[C@H](OC2CCC2)C1 ZINC000594019871 398722966 /nfs/dbraw/zinc/72/29/66/398722966.db2.gz BEGOORCTLRCZOF-HNNXBMFYSA-N -1 0 306.362 2.834 20 5 DFBDRM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CCSC2(CCC2)CC1 ZINC000591088390 398725034 /nfs/dbraw/zinc/72/50/34/398725034.db2.gz ORZNUGFSYQVXFD-UHFFFAOYSA-N -1 0 322.386 2.802 20 5 DFBDRM O=C([O-])C1CCC(Nc2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000263563052 304039938 /nfs/dbraw/zinc/03/99/38/304039938.db2.gz SZRNICICKJVMSF-UHFFFAOYSA-N -1 0 305.334 2.618 20 5 DFBDRM COc1ccc(NC(=O)CC2(CC(=O)[O-])CCC2)cc1[N+](=O)[O-] ZINC000591531357 398770204 /nfs/dbraw/zinc/77/02/04/398770204.db2.gz VAHVMQVBRCKNQO-UHFFFAOYSA-N -1 0 322.317 2.577 20 5 DFBDRM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(CCC(=O)[O-])CC1CC1 ZINC000591561669 398772460 /nfs/dbraw/zinc/77/24/60/398772460.db2.gz XEODEDFKLSYCSS-UHFFFAOYSA-N -1 0 320.345 2.539 20 5 DFBDRM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cccc(O)c2)c1C ZINC000134604937 283194195 /nfs/dbraw/zinc/19/41/95/283194195.db2.gz FEHPKMOCQPFXES-UHFFFAOYSA-N -1 0 322.342 2.718 20 5 DFBDRM CCc1ccc(C(=O)NC2(C(=O)[O-])CCCCC2)cc1[N+](=O)[O-] ZINC000237138574 202164603 /nfs/dbraw/zinc/16/46/03/202164603.db2.gz QUZCKMUVJXRUCQ-UHFFFAOYSA-N -1 0 320.345 2.675 20 5 DFBDRM O=C(NC[C@@H]1CCC2(CCCC2)O1)c1cccc([N+](=O)[O-])c1[O-] ZINC000594419553 398796061 /nfs/dbraw/zinc/79/60/61/398796061.db2.gz XNYKVWGUQIANDE-NSHDSACASA-N -1 0 320.345 2.522 20 5 DFBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCSC[C@@H]1C1CCC1 ZINC000416317349 295941245 /nfs/dbraw/zinc/94/12/45/295941245.db2.gz CZYHDKBMJFELPJ-CYBMUJFWSA-N -1 0 322.386 2.658 20 5 DFBDRM CCOc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000142230334 283262032 /nfs/dbraw/zinc/26/20/32/283262032.db2.gz HRBJNZCWCSUIBB-UHFFFAOYSA-N -1 0 302.286 2.951 20 5 DFBDRM Cc1cc(N(C)CCC(=O)[O-])c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416427487 295947995 /nfs/dbraw/zinc/94/79/95/295947995.db2.gz MXOHZXFTMZOPSV-UHFFFAOYSA-N -1 0 306.240 2.833 20 5 DFBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCC[C@@H](C2CCC2)C1 ZINC000598398541 398806273 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308.334 2.848 20 5 DFBDRM COc1cc(F)c(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1F ZINC000188096124 283471974 /nfs/dbraw/zinc/47/19/74/283471974.db2.gz OMBYLZTZEPMJRY-UHFFFAOYSA-N -1 0 324.239 2.840 20 5 DFBDRM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(CC(=O)[O-])CC(C)(C)C ZINC000595277934 398915178 /nfs/dbraw/zinc/91/51/78/398915178.db2.gz QZTPUENOHYWRNH-UHFFFAOYSA-N -1 0 322.361 2.785 20 5 DFBDRM CCc1ccc(C(=O)N(CC(=O)[O-])CC(C)(C)C)cc1[N+](=O)[O-] ZINC000595277522 398915341 /nfs/dbraw/zinc/91/53/41/398915341.db2.gz MZDVDIXSHQZPJV-UHFFFAOYSA-N -1 0 322.361 2.730 20 5 DFBDRM C[C@H]1COC2(CCCC2)CN1c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000595278396 398915472 /nfs/dbraw/zinc/91/54/72/398915472.db2.gz YHNMISJBALJDSU-NSHDSACASA-N -1 0 320.345 2.831 20 5 DFBDRM O=C([O-])c1cnc(N2CCC[C@@H](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000595280638 398915669 /nfs/dbraw/zinc/91/56/69/398915669.db2.gz RFWPTCNIZGUKQP-LLVKDONJSA-N -1 0 305.334 2.705 20 5 DFBDRM Cc1cc(C(=O)N2CCCC[C@H]2CCC(=O)[O-])ccc1[N+](=O)[O-] ZINC000237684717 202328654 /nfs/dbraw/zinc/32/86/54/202328654.db2.gz LDWZGRBAVVEFLT-ZDUSSCGKSA-N -1 0 320.345 2.763 20 5 DFBDRM COc1ccccc1[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000055546957 398935087 /nfs/dbraw/zinc/93/50/87/398935087.db2.gz FZSYPDXRLBVITO-UHFFFAOYSA-N -1 0 322.342 2.713 20 5 DFBDRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)c([N+](=O)[O-])c1 ZINC000158538866 398958194 /nfs/dbraw/zinc/95/81/94/398958194.db2.gz JZUDYHDLZSLBFZ-UHFFFAOYSA-N -1 0 310.306 2.843 20 5 DFBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CC[C@@H](Oc2ccccc2)C1 ZINC000595831448 399104275 /nfs/dbraw/zinc/10/42/75/399104275.db2.gz OKRNRDLIUHFBNR-MRXNPFEDSA-N -1 0 314.341 2.954 20 5 DFBDRM COC1(c2noc(-c3cc([O-])cc([N+](=O)[O-])c3)n2)CCCC1 ZINC000618399820 399107428 /nfs/dbraw/zinc/10/74/28/399107428.db2.gz UFIDXXWYOHZAED-UHFFFAOYSA-N -1 0 305.290 2.766 20 5 DFBDRM Cc1cc(C(=O)NCCCCCCC(=O)[O-])cc([N+](=O)[O-])c1 ZINC000262059112 203188185 /nfs/dbraw/zinc/18/81/85/203188185.db2.gz DUAYKNIGOXZRER-UHFFFAOYSA-N -1 0 308.334 2.668 20 5 DFBDRM 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DFBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCc2cc(F)c(F)cc21 ZINC000436766897 297032867 /nfs/dbraw/zinc/03/28/67/297032867.db2.gz ACDAGRUHNBHYED-UHFFFAOYSA-N -1 0 320.251 2.782 20 5 DFBDRM O=C(NCc1cc(F)cc(F)c1)c1cccc([N+](=O)[O-])c1[O-] ZINC000436769285 297032958 /nfs/dbraw/zinc/03/29/58/297032958.db2.gz HMTHEBDTVQOICI-UHFFFAOYSA-N -1 0 308.240 2.509 20 5 DFBDRM Cc1nc([C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2[O-])cs1 ZINC000436776466 297033519 /nfs/dbraw/zinc/03/35/19/297033519.db2.gz JFFUJYXJPNFGNZ-SSDOTTSWSA-N -1 0 307.331 2.556 20 5 DFBDRM O=C(NC1(c2ccc(F)cc2)CC1)c1cccc([N+](=O)[O-])c1[O-] ZINC000436792735 297034954 /nfs/dbraw/zinc/03/49/54/297034954.db2.gz PKHOHBDMZVJMGP-UHFFFAOYSA-N -1 0 316.288 2.859 20 5 DFBDRM C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])c1ccc(Cl)cn1 ZINC000436842389 297039267 /nfs/dbraw/zinc/03/92/67/297039267.db2.gz DFXPCKZDLMELIC-MRVPVSSYSA-N -1 0 321.720 2.840 20 5 DFBDRM CC(=O)c1cc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)ccc1F ZINC000436857413 297040450 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C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1[O-])c1ccccc1 ZINC000436956629 297047690 /nfs/dbraw/zinc/04/76/90/297047690.db2.gz OBHHZYVGIHHBCM-LLVKDONJSA-N -1 0 300.314 2.834 20 5 DFBDRM CC(C)C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2[O-])CCO1 ZINC000436958964 297047758 /nfs/dbraw/zinc/04/77/58/297047758.db2.gz KSPSEWGOYMTPNP-DGCLKSJQSA-N -1 0 322.361 2.624 20 5 DFBDRM O=C(N[C@H]1CSc2ccccc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436968064 297048482 /nfs/dbraw/zinc/04/84/82/297048482.db2.gz RVUSYXWGJGROCS-LBPRGKRZSA-N -1 0 316.338 2.877 20 5 DFBDRM O=C(N[C@@H]1C[C@@H]1Cc1ccccc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436971113 297048741 /nfs/dbraw/zinc/04/87/41/297048741.db2.gz NSAWWUYJTLJIKF-UONOGXRCSA-N -1 0 312.325 2.661 20 5 DFBDRM O=C(N[C@@H]1C[C@H]1Cc1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436971758 297048784 /nfs/dbraw/zinc/04/87/84/297048784.db2.gz KVPCMRFRHIRHGO-IUODEOHRSA-N -1 0 312.325 2.661 20 5 DFBDRM O=C(N[C@H]1C[C@@H]1Cc1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436971764 297048913 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ZINC000828735837 604267334 /nfs/dbraw/zinc/26/73/34/604267334.db2.gz DHTOMLLXWIAKOD-JMCQJSRRSA-N -1 0 316.741 2.765 20 5 DFBDRM Cc1nc(Oc2cccc(CNC(=O)[O-])c2)ccc1[N+](=O)[O-] ZINC000830775851 604442804 /nfs/dbraw/zinc/44/28/04/604442804.db2.gz TVIOPSSWMYPOQM-UHFFFAOYSA-N -1 0 303.274 2.858 20 5 DFBDRM C[C@@H]1C[C@@H](Nc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CCO1 ZINC000833596234 604717889 /nfs/dbraw/zinc/71/78/89/604717889.db2.gz AGATZSLYHVVLSJ-PEWKINPCSA-N -1 0 306.318 2.672 20 5 DFBDRM C[C@@H]1C[C@@H](Nc2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])CCO1 ZINC000833598983 604718253 /nfs/dbraw/zinc/71/82/53/604718253.db2.gz UKIQAHWRBWZLIY-SFYZADRCSA-N -1 0 314.725 2.926 20 5 DFBDRM O=C([O-])c1ccc(C(=O)Oc2cc(F)cc([N+](=O)[O-])c2)s1 ZINC000833312047 604939215 /nfs/dbraw/zinc/93/92/15/604939215.db2.gz MINMDNMTBFTZRA-UHFFFAOYSA-N -1 0 311.246 2.713 20 5 DFBDRM CC(=O)c1ccc(OCc2cc(C)c(C(=O)[O-])o2)c([N+](=O)[O-])c1 ZINC000833401970 604990939 /nfs/dbraw/zinc/99/09/39/604990939.db2.gz WKVUVYXKCRWUPY-UHFFFAOYSA-N -1 0 319.269 2.976 20 5 DFBDRM CC(C)(CC(=O)[O-])CC(=O)OCc1c(F)cccc1[N+](=O)[O-] ZINC000833455292 605033335 /nfs/dbraw/zinc/03/33/35/605033335.db2.gz NOAHFNGXZXNEOX-UHFFFAOYSA-N -1 0 313.281 2.668 20 5 DFBDRM COC(=O)c1cccc(Oc2cc(C(=O)[O-])ccc2[N+](=O)[O-])c1 ZINC000833716788 605167914 /nfs/dbraw/zinc/16/79/14/605167914.db2.gz QYDXDARHBCCKMM-UHFFFAOYSA-N -1 0 317.253 2.872 20 5 DFBDRM O=C([O-])N[C@@H]1CCC[C@H]2CN(c3ccc([N+](=O)[O-])cc3F)C[C@H]21 ZINC000834185563 605368743 /nfs/dbraw/zinc/36/87/43/605368743.db2.gz SSDHTZZUOOJFFX-UFGOTCBOSA-N -1 0 323.324 2.606 20 5 DFBDRM O=C([O-])N[C@@H]1CCC[C@H]2CN(c3cccc(F)c3[N+](=O)[O-])C[C@H]21 ZINC000834186933 605369001 /nfs/dbraw/zinc/36/90/01/605369001.db2.gz XQQLHETYLGCDCS-HOSYDEDBSA-N -1 0 323.324 2.606 20 5 DFBDRM Cc1ccc(NC(=O)[C@@H](NC(=O)[O-])C(C)(C)C)cc1[N+](=O)[O-] ZINC000830390021 605569028 /nfs/dbraw/zinc/56/90/28/605569028.db2.gz ATSNFALYEIKUCR-LLVKDONJSA-N -1 0 309.322 2.524 20 5 DFBDRM 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219244609 /nfs/dbraw/zinc/24/46/09/219244609.db2.gz BEEMNFVEMDOAIL-SNAWJCMRSA-N -1 0 322.346 2.720 20 5 DFBDRM Cc1ccc([N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c(O)c1 ZINC000092258564 398564597 /nfs/dbraw/zinc/56/45/97/398564597.db2.gz MMJBIGHLDYYCKF-UHFFFAOYSA-N -1 0 322.342 2.718 20 5 DFBDRM CCn1nc(C(C)C)cc1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000092547308 398584088 /nfs/dbraw/zinc/58/40/88/398584088.db2.gz PZXYPQUOWPAMFL-UHFFFAOYSA-N -1 0 318.333 2.893 20 5 DFBDRM COCCN(Cc1ccco1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000092561394 398584650 /nfs/dbraw/zinc/58/46/50/398584650.db2.gz LKWUJGFXUSBUBX-UHFFFAOYSA-N -1 0 306.318 2.542 20 5 DFBDRM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000593288722 398590801 /nfs/dbraw/zinc/59/08/01/398590801.db2.gz NPNSCHSGBKHDHK-ZBINZKHDSA-N -1 0 320.345 2.518 20 5 DFBDRM C[C@@H]1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)C[C@@H]1C(=O)[O-] ZINC000593325631 398600340 /nfs/dbraw/zinc/60/03/40/398600340.db2.gz GQDFEUBGJNQCDF-MFKMUULPSA-N -1 0 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CC(C)[C@@H](CNc1nccc2c1cccc2[N+](=O)[O-])C(=O)[O-] ZINC000594541710 398818012 /nfs/dbraw/zinc/81/80/12/398818012.db2.gz XVMUPXDIRGFRTH-GFCCVEGCSA-N -1 0 303.318 2.912 20 5 DFBDRM CC[C@H](NC(=O)C[C@H](C)CC(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000594596924 398826962 /nfs/dbraw/zinc/82/69/62/398826962.db2.gz HRHFBQVPGUAJBN-GWCFXTLKSA-N -1 0 308.334 2.663 20 5 DFBDRM C[C@@H](CCC(=O)[O-])NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000180213346 199131363 /nfs/dbraw/zinc/13/13/63/199131363.db2.gz QMUJNYHDXGFVCL-QMMMGPOBSA-N -1 0 322.342 2.793 20 5 DFBDRM O=C([O-])c1cnc(N2CCC(C3CCC3)CC2)c([N+](=O)[O-])c1 ZINC000594734966 398851859 /nfs/dbraw/zinc/85/18/59/398851859.db2.gz FJIKBQMUSYAAAX-UHFFFAOYSA-N -1 0 305.334 2.705 20 5 DFBDRM C[C@@H]1Cc2ccccc2[C@H]1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000077009840 398879930 /nfs/dbraw/zinc/87/99/30/398879930.db2.gz XMDAMELIZBGGPT-HWPZZCPQSA-N -1 0 312.325 2.964 20 5 DFBDRM CSC[C@H](C)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000180788904 199209604 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2.775 20 5 DFBDRM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CCCC(F)(F)CC1 ZINC000600255136 399020685 /nfs/dbraw/zinc/02/06/85/399020685.db2.gz SVXHCIGDEUFXKD-UHFFFAOYSA-N -1 0 300.261 2.562 20 5 DFBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CCOc2cc(F)ccc2C1 ZINC000599686534 399063313 /nfs/dbraw/zinc/06/33/13/399063313.db2.gz FWJWZCQNGWYHCP-UHFFFAOYSA-N -1 0 318.304 2.834 20 5 DFBDRM Cc1cccc([N+](=O)[O-])c1C(=O)NCCCCCCC(=O)[O-] ZINC000261608399 203079712 /nfs/dbraw/zinc/07/97/12/203079712.db2.gz DKYIFCONFYPYRD-UHFFFAOYSA-N -1 0 308.334 2.668 20 5 DFBDRM C[C@H]1CC(F)(F)CCN1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000600676205 399114651 /nfs/dbraw/zinc/11/46/51/399114651.db2.gz TXWRXYHMJVLZHS-VIFPVBQESA-N -1 0 314.288 2.913 20 5 DFBDRM CCN(CCC(F)(F)F)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000613919890 399115091 /nfs/dbraw/zinc/11/50/91/399115091.db2.gz QVHIKUXAVRRHOH-UHFFFAOYSA-N -1 0 306.240 2.715 20 5 DFBDRM CCC(CC)(CNC(=O)c1c(C)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000262338392 203265779 /nfs/dbraw/zinc/26/57/79/203265779.db2.gz UBJYRDJEGAIMCQ-UHFFFAOYSA-N -1 0 308.334 2.524 20 5 DFBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC(F)(F)C[C@H]2C)n1 ZINC000600677900 399115752 /nfs/dbraw/zinc/11/57/52/399115752.db2.gz CQEZGSJHVDKFSS-MRVPVSSYSA-N -1 0 315.276 2.620 20 5 DFBDRM CC(C)(CNC(=O)c1ccc([N+](=O)[O-])cc1[O-])[C@H]1CCCCO1 ZINC000613986794 399127557 /nfs/dbraw/zinc/12/75/57/399127557.db2.gz QKUHUMICWVUKJK-CQSZACIVSA-N -1 0 322.361 2.626 20 5 DFBDRM CCC(CC)(NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000094240127 193354076 /nfs/dbraw/zinc/35/40/76/193354076.db2.gz ROHJPMYXPUGZLX-UHFFFAOYSA-N -1 0 314.725 2.621 20 5 DFBDRM COc1cc(NC[C@@H](C(=O)[O-])C2CCC2)c([N+](=O)[O-])cc1F ZINC000595977661 399144123 /nfs/dbraw/zinc/14/41/23/399144123.db2.gz NNEJGKDUEKLNMI-SECBINFHSA-N -1 0 312.297 2.655 20 5 DFBDRM Cc1ccc([C@@H](C)NC(=O)C2(C(=O)[O-])CC=CC2)cc1[N+](=O)[O-] ZINC000595995815 399145158 /nfs/dbraw/zinc/14/51/58/399145158.db2.gz QVEMJBRDGLACGN-LLVKDONJSA-N -1 0 318.329 2.501 20 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296183801 /nfs/dbraw/zinc/18/38/01/296183801.db2.gz MKZYFTCBOPRPFF-ZIAGYGMSSA-N -1 0 322.386 2.801 20 5 DFBDRM CC(C)Oc1ccc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cn1 ZINC000342085110 284322517 /nfs/dbraw/zinc/32/25/17/284322517.db2.gz FCAWGSCKCMVMIF-UHFFFAOYSA-N -1 0 317.301 2.735 20 5 DFBDRM C[C@@H]1C[C@H](C(=O)[O-])CN(c2ccc([N+](=O)[O-])c3cnccc32)C1 ZINC000263233772 297344232 /nfs/dbraw/zinc/34/42/32/297344232.db2.gz QTPBDAKLWFFCQE-MNOVXSKESA-N -1 0 315.329 2.690 20 5 DFBDRM CN(Cc1cccc(F)c1)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000018081390 182092824 /nfs/dbraw/zinc/09/28/24/182092824.db2.gz DHTLDIFZPWXWEY-UHFFFAOYSA-N -1 0 304.277 2.712 20 5 DFBDRM CC[C@@](C)(NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000618939685 399262551 /nfs/dbraw/zinc/26/25/51/399262551.db2.gz MFPLYZAMVVTIKU-GFCCVEGCSA-N -1 0 315.713 2.623 20 5 DFBDRM CC(C)[C@H](Nc1ccc([N+](=O)[O-])cc1Br)C(=O)[O-] ZINC000043596377 183374301 /nfs/dbraw/zinc/37/43/01/183374301.db2.gz MXNWBWCPGGVBMA-JTQLQIEISA-N -1 0 317.139 2.878 20 5 DFBDRM CN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])C1CC(OC(C)(C)C)C1 ZINC000422016357 296291076 /nfs/dbraw/zinc/29/10/76/296291076.db2.gz PWIPAHSCUJFCEJ-UHFFFAOYSA-N -1 0 322.361 2.719 20 5 DFBDRM O=C([O-])c1cc(C(=O)N[C@@H]2CC23CCCCC3)cc([N+](=O)[O-])c1 ZINC000192972283 304222701 /nfs/dbraw/zinc/22/27/01/304222701.db2.gz FWWKUKOMEDLMJJ-CYBMUJFWSA-N -1 0 318.329 2.746 20 5 DFBDRM C[C@@H](CCC1CC1)[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000346036549 284831305 /nfs/dbraw/zinc/83/13/05/284831305.db2.gz GVEWFLSVQOBDEX-VIFPVBQESA-N -1 0 316.354 2.591 20 5 DFBDRM COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cc1OC ZINC000059354234 184137565 /nfs/dbraw/zinc/13/75/65/184137565.db2.gz RFHVPBDBUMDYCE-UHFFFAOYSA-N -1 0 318.285 2.570 20 5 DFBDRM CCSCC[C@H](C)N(C)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000158093842 197242890 /nfs/dbraw/zinc/24/28/90/197242890.db2.gz NUUASKSTLOIGPD-JTQLQIEISA-N -1 0 312.391 2.904 20 5 DFBDRM Cn1cncc1[C@@H]1CCCCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000611267664 399454125 /nfs/dbraw/zinc/45/41/25/399454125.db2.gz UOPRAOCDXCBOOU-HNNXBMFYSA-N -1 0 316.361 2.761 20 5 DFBDRM C[C@@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1[O-])c1ccncc1 ZINC000611294718 399459753 /nfs/dbraw/zinc/45/97/53/399459753.db2.gz CYRBXXQHICKNAC-JTQLQIEISA-N -1 0 301.302 2.828 20 5 DFBDRM O=C(N[C@H]1C[C@@H]1C1CCCCC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000611556952 399491405 /nfs/dbraw/zinc/49/14/05/399491405.db2.gz JMPMLRGVLCFCLU-CABCVRRESA-N -1 0 304.346 2.999 20 5 DFBDRM Cc1c(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cnn1CC(C)C ZINC000347597248 285084386 /nfs/dbraw/zinc/08/43/86/285084386.db2.gz GNJCLMNLCVRCPH-UHFFFAOYSA-N -1 0 318.333 2.714 20 5 DFBDRM CCN1C(=O)c2ccccc2N[C@@H]1c1ccc([N+](=O)[O-])c([O-])c1 ZINC000194903935 285176928 /nfs/dbraw/zinc/17/69/28/285176928.db2.gz FFOHCGMVVNBNLW-HNNXBMFYSA-N -1 0 313.313 2.887 20 5 DFBDRM CC(C)[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CCS1 ZINC000155321321 197043251 /nfs/dbraw/zinc/04/32/51/197043251.db2.gz FFWGXHIPSHBBJS-LBPRGKRZSA-N -1 0 310.375 2.514 20 5 DFBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCC[C@@H]1c1ccco1 ZINC000152047267 196764223 /nfs/dbraw/zinc/76/42/23/196764223.db2.gz PBYPCKLXFFXDET-LLVKDONJSA-N -1 0 302.286 2.871 20 5 DFBDRM CCN(CCC(F)(F)F)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000612534474 399672332 /nfs/dbraw/zinc/67/23/32/399672332.db2.gz HNJDGLUBFICFHA-UHFFFAOYSA-N -1 0 306.240 2.715 20 5 DFBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCCc2sccc2C1 ZINC000612539539 399673031 /nfs/dbraw/zinc/67/30/31/399673031.db2.gz JJCMBUDFIMPSCT-UHFFFAOYSA-N -1 0 318.354 2.951 20 5 DFBDRM CC(C)(CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1)[C@@H]1CCCCO1 ZINC000612554996 399676058 /nfs/dbraw/zinc/67/60/58/399676058.db2.gz ZCZDVGWAJCMFRO-AWEZNQCLSA-N -1 0 322.361 2.626 20 5 DFBDRM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc([N+](=O)[O-])cc1 ZINC000179643171 145558585 /nfs/dbraw/zinc/55/85/85/145558585.db2.gz FWJZXVYANKSIKV-UHFFFAOYSA-N -1 0 310.306 2.843 20 5 DFBDRM Cc1ccc([C@H](C)NC(=O)c2cc(C(=O)[O-])co2)cc1[N+](=O)[O-] ZINC000183815516 145659730 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O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1cc([N+](=O)[O-])n[nH]1 ZINC000354406161 147025085 /nfs/dbraw/zinc/02/50/85/147025085.db2.gz LCUGCTJZCUXFFC-UHFFFAOYSA-N -1 0 317.088 2.583 20 5 DFBDRM CS[C@H](CNC(=O)c1cc([O-])ccc1[N+](=O)[O-])C(C)(C)C ZINC000354626597 147096369 /nfs/dbraw/zinc/09/63/69/147096369.db2.gz UXWSLWSUVCSMCV-GFCCVEGCSA-N -1 0 312.391 2.808 20 5 DFBDRM O=C(NCCc1ccc(Cl)cc1)c1cccc([O-])c1[N+](=O)[O-] ZINC000354698765 147120816 /nfs/dbraw/zinc/12/08/16/147120816.db2.gz FHMNDFKTUGQWDA-UHFFFAOYSA-N -1 0 320.732 2.926 20 5 DFBDRM Cc1csc([C@@H](C)CNC(=O)c2cc([O-])ccc2[N+](=O)[O-])n1 ZINC000354773770 147146868 /nfs/dbraw/zinc/14/68/68/147146868.db2.gz ATBSSOSVWCVDGZ-QMMMGPOBSA-N -1 0 321.358 2.599 20 5 DFBDRM C[C@H](CNc1ccccc1)NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000354824351 147164837 /nfs/dbraw/zinc/16/48/37/147164837.db2.gz KUSGJMMTVKVOOR-LLVKDONJSA-N -1 0 315.329 2.531 20 5 DFBDRM O=C(NCCc1cccc(Cl)c1)c1cccc([O-])c1[N+](=O)[O-] ZINC000355560064 147363848 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ZINC000569697556 430478215 /nfs/dbraw/zinc/47/82/15/430478215.db2.gz SHZFWDXBXXVVSQ-VIFPVBQESA-N -1 0 319.321 2.639 20 5 DFBDRM CC(C)C[C@@H](CCO)CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000570454736 430543865 /nfs/dbraw/zinc/54/38/65/430543865.db2.gz QJCNFYJRRSYYKY-LLVKDONJSA-N -1 0 310.350 2.750 20 5 DFBDRM CC(C)(C)c1ccc(C(=O)N2CCC[C@@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000236784768 278559341 /nfs/dbraw/zinc/55/93/41/278559341.db2.gz VNGUMVKZQSBKRL-GFCCVEGCSA-N -1 0 320.345 2.582 20 5 DFBDRM CC(C)C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2[O-])CCO1 ZINC000274808746 279059489 /nfs/dbraw/zinc/05/94/89/279059489.db2.gz OHULCWGAZUEQLI-DGCLKSJQSA-N -1 0 322.361 2.624 20 5 DFBDRM CC(C)C[C@H]1OCCC[C@H]1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000187321618 279233683 /nfs/dbraw/zinc/23/36/83/279233683.db2.gz XDMGMRIMISRBDD-IUODEOHRSA-N -1 0 322.361 2.624 20 5 DFBDRM CC(C)C[C@H]1OCCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000187305959 279233718 /nfs/dbraw/zinc/23/37/18/279233718.db2.gz 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Cc1cnc(C(C)(C)NC(=O)c2cccc([O-])c2[N+](=O)[O-])s1 ZINC000281345522 216238603 /nfs/dbraw/zinc/23/86/03/216238603.db2.gz VBQQOWMVJFOPJQ-UHFFFAOYSA-N -1 0 321.358 2.730 20 5 DFBDRM CC(C)(C)n1cc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])cn1 ZINC000159335612 398963210 /nfs/dbraw/zinc/96/32/10/398963210.db2.gz GYCBDRMFDMINNT-UHFFFAOYSA-N -1 0 304.306 2.504 20 5 DFBDRM C[C@H]1CN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C[C@H](C)C1(F)F ZINC000600184303 398993944 /nfs/dbraw/zinc/99/39/44/398993944.db2.gz OZPFUGHRUDXIBO-IUCAKERBSA-N -1 0 314.288 2.664 20 5 DFBDRM COC(=O)CN(Cc1cc([O-])ccc1[N+](=O)[O-])C1CCCCC1 ZINC000595668304 399026563 /nfs/dbraw/zinc/02/65/63/399026563.db2.gz NHZTVUCHGLCAHA-UHFFFAOYSA-N -1 0 322.361 2.608 20 5 DFBDRM CC1(C)C[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])C(C)(C)O1 ZINC000599714381 399074612 /nfs/dbraw/zinc/07/46/12/399074612.db2.gz UMEMYPVLHATEOU-SNVBAGLBSA-N -1 0 308.334 2.833 20 5 DFBDRM CC(C)(C(=O)[N-]OCCC(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000275245222 212219899 /nfs/dbraw/zinc/21/98/99/212219899.db2.gz UDCNQOJEUIPNOK-UHFFFAOYSA-N -1 0 320.267 2.873 20 5 DFBDRM O=C(c1cccc([O-])c1[N+](=O)[O-])N1CCCC[C@@H]1C(F)F ZINC000599903848 399110468 /nfs/dbraw/zinc/11/04/68/399110468.db2.gz OIMHGEZCDAYYGX-SECBINFHSA-N -1 0 300.261 2.560 20 5 DFBDRM Cc1cc(N[C@H]2CO[C@@H](C3CC3)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000600678963 399115710 /nfs/dbraw/zinc/11/57/10/399115710.db2.gz RFBFUBIWEIFELN-DGCLKSJQSA-N -1 0 306.318 2.581 20 5 DFBDRM Cc1cc(NCC[C@H]2CCCOC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000600677670 399115741 /nfs/dbraw/zinc/11/57/41/399115741.db2.gz IETRLNPAVGSIKL-LLVKDONJSA-N -1 0 308.334 2.830 20 5 DFBDRM Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000262702360 203388299 /nfs/dbraw/zinc/38/82/99/203388299.db2.gz IMQSTEKUCFMCQO-XYPYZODXSA-N -1 0 306.318 2.733 20 5 DFBDRM CC[C@H]1CC[C@@H](C)N1C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000262733810 203395361 /nfs/dbraw/zinc/39/53/61/203395361.db2.gz HPXUIOGDWYFCRQ-SKDRFNHKSA-N -1 0 306.318 2.696 20 5 DFBDRM O=C([O-])C1(CNc2ccnc3cc([N+](=O)[O-])ccc32)CCC1 ZINC000595971125 399141578 /nfs/dbraw/zinc/14/15/78/399141578.db2.gz GQNNKMJKCWUCHA-UHFFFAOYSA-N -1 0 301.302 2.810 20 5 DFBDRM C[C@H]1CC[C@@H](C(=O)[O-])CN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC000595973403 399142894 /nfs/dbraw/zinc/14/28/94/399142894.db2.gz LOQPMUDIDYEGGE-CMPLNLGQSA-N -1 0 315.329 2.833 20 5 DFBDRM C[C@H]1CC[C@H](C(=O)[O-])CN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC000595973404 399143171 /nfs/dbraw/zinc/14/31/71/399143171.db2.gz LOQPMUDIDYEGGE-JQWIXIFHSA-N -1 0 315.329 2.833 20 5 DFBDRM O=C([O-])[C@@H]1CN(c2sccc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000595973856 399143206 /nfs/dbraw/zinc/14/32/06/399143206.db2.gz QKOODKDTOKNOPS-NWDGAFQWSA-N -1 0 318.354 2.961 20 5 DFBDRM Cc1cccc(Nc2cnn(C(C)(C)C(=O)[O-])c2)c1[N+](=O)[O-] ZINC000595978433 399143905 /nfs/dbraw/zinc/14/39/05/399143905.db2.gz MGFXDRIZUQBNCL-UHFFFAOYSA-N -1 0 304.306 2.663 20 5 DFBDRM C[C@H](NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000595984786 399144035 /nfs/dbraw/zinc/14/40/35/399144035.db2.gz CKJGNASTADSISO-CABZTGNLSA-N -1 0 308.334 2.519 20 5 DFBDRM O=C([O-])[C@H](CNc1ncnc2sc([N+](=O)[O-])cc21)C1CCC1 ZINC000595977923 399144096 /nfs/dbraw/zinc/14/40/96/399144096.db2.gz PCHZYJQZOQFWNW-SECBINFHSA-N -1 0 322.346 2.512 20 5 DFBDRM CC[C@H](C)[C@H](C)C(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600871323 399163803 /nfs/dbraw/zinc/16/38/03/399163803.db2.gz ATAFIPHEUYNHBH-XMZIXOGTSA-N -1 0 322.361 2.693 20 5 DFBDRM O=C([O-])c1cc(C(=O)NCCC2=CCCC2)cc([N+](=O)[O-])c1 ZINC000600880534 399164819 /nfs/dbraw/zinc/16/48/19/399164819.db2.gz KDHHCAXPBXFNLO-UHFFFAOYSA-N -1 0 304.302 2.523 20 5 DFBDRM CCC[C@@H](C)CC(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600880240 399164845 /nfs/dbraw/zinc/16/48/45/399164845.db2.gz YWOUSPCQCNFKQS-BZNIZROVSA-N -1 0 322.361 2.837 20 5 DFBDRM Cc1cccc(C(=O)Nc2ccc(CC(=O)[O-])cc2)c1[N+](=O)[O-] ZINC000013438670 181849710 /nfs/dbraw/zinc/84/97/10/181849710.db2.gz YUDYBLGNHWYNHH-UHFFFAOYSA-N -1 0 314.297 2.783 20 5 DFBDRM COc1ccc(/C=C/C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000021027740 182262372 /nfs/dbraw/zinc/26/23/72/182262372.db2.gz NNWNQSHYDKGYSU-RUDMXATFSA-N -1 0 314.297 2.961 20 5 DFBDRM O=C(COc1ccc(Cl)cc1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000021027822 182262445 /nfs/dbraw/zinc/26/24/45/182262445.db2.gz CPKICUPEFFNNDZ-UHFFFAOYSA-N -1 0 322.704 2.971 20 5 DFBDRM Cc1ccc(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1C ZINC000024100926 182374869 /nfs/dbraw/zinc/37/48/69/182374869.db2.gz VWUQOALUGGTGCG-UHFFFAOYSA-N -1 0 322.342 2.718 20 5 DFBDRM C[C@H](Cc1ccccc1F)NC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000343150787 284480157 /nfs/dbraw/zinc/48/01/57/284480157.db2.gz FZOQHPFORSGGPR-SNVBAGLBSA-N -1 0 318.304 2.801 20 5 DFBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CC[C@H](c2ccccc2)C1 ZINC000124160743 296225847 /nfs/dbraw/zinc/22/58/47/296225847.db2.gz FYMMGNPCRFGBPA-AWEZNQCLSA-N -1 0 312.325 2.930 20 5 DFBDRM CC(C)(CC(F)(F)F)NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000614897441 399279284 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Cc1cc(N(C)C)ccc1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000060687113 184154055 /nfs/dbraw/zinc/15/40/55/184154055.db2.gz APUGEGCVTLAALD-UHFFFAOYSA-N -1 0 315.329 2.927 20 5 DFBDRM Cc1cc([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])ccn1 ZINC000152244030 196794625 /nfs/dbraw/zinc/79/46/25/196794625.db2.gz BAEZJGDGVYEPAB-UHFFFAOYSA-N -1 0 321.358 2.716 20 5 DFBDRM Cc1ccc([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])nc1 ZINC000152208706 196788030 /nfs/dbraw/zinc/78/80/30/196788030.db2.gz RJBIXXRRYJWJHW-UHFFFAOYSA-N -1 0 321.358 2.716 20 5 DFBDRM COc1ccccc1N(C)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000612529014 399670863 /nfs/dbraw/zinc/67/08/63/399670863.db2.gz BRBVDRNJLOQPSS-UHFFFAOYSA-N -1 0 302.286 2.586 20 5 DFBDRM COC(=O)c1cc(N[C@H](CC(C)C)C(=O)[O-])cc(C)c1[N+](=O)[O-] ZINC000263528533 292002449 /nfs/dbraw/zinc/00/24/49/292002449.db2.gz VHYYPMIBIRVKBB-GFCCVEGCSA-N -1 0 324.333 2.601 20 5 DFBDRM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCCC(C)(C)C(=O)[O-] ZINC000424380428 296506044 /nfs/dbraw/zinc/50/60/44/296506044.db2.gz KFRDJNFQNXJHIV-UHFFFAOYSA-N -1 0 323.349 2.834 20 5 DFBDRM CC(C)n1cc(/C=C/c2ncc([N+](=O)[O-])cc2C(=O)[O-])cn1 ZINC000171981752 145286224 /nfs/dbraw/zinc/28/62/24/145286224.db2.gz VDTRJVYZOXJXBC-ONEGZZNKSA-N -1 0 302.290 2.636 20 5 DFBDRM CN(Cc1ccccc1)C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000237128863 146037502 /nfs/dbraw/zinc/03/75/02/146037502.db2.gz FIKDMMUBEVCAEX-UHFFFAOYSA-N -1 0 314.297 2.565 20 5 DFBDRM Cc1ccc(NC(=O)c2ccc(C(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000237657495 146048925 /nfs/dbraw/zinc/04/89/25/146048925.db2.gz NFTWMFMOQZCKMJ-UHFFFAOYSA-N -1 0 300.270 2.854 20 5 DFBDRM O=C([O-])c1cc(C(=O)NCCCC2CCCC2)cc([N+](=O)[O-])c1 ZINC000237978158 146055929 /nfs/dbraw/zinc/05/59/29/146055929.db2.gz CURKTBIPBIXMAY-UHFFFAOYSA-N -1 0 320.345 2.993 20 5 DFBDRM CC[C@H](C)[C@H](Nc1cc(OC)c([N+](=O)[O-])cc1F)C(=O)[O-] ZINC000262143497 146338213 /nfs/dbraw/zinc/33/82/13/146338213.db2.gz PXMWIAFXHNFMSN-MADCSZMMSA-N -1 0 300.286 2.654 20 5 DFBDRM Cc1oc(C2CC2)nc1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000354529368 147068986 /nfs/dbraw/zinc/06/89/86/147068986.db2.gz UAURAZISTHECQK-UHFFFAOYSA-N -1 0 303.274 2.727 20 5 DFBDRM CC(=O)c1ccc(CC(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000356292007 147639608 /nfs/dbraw/zinc/63/96/08/147639608.db2.gz IPXVSCBQDREGIB-UHFFFAOYSA-N -1 0 314.297 2.684 20 5 DFBDRM O=C(NC[C@H]1C[C@@H]1c1ccccc1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000357652912 148072188 /nfs/dbraw/zinc/07/21/88/148072188.db2.gz KFQRYVJQUDBHCA-TZMCWYRMSA-N -1 0 312.325 2.834 20 5 DFBDRM C[C@H](Oc1ccccc1F)C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000361652980 149181599 /nfs/dbraw/zinc/18/15/99/149181599.db2.gz HIJHWNCIRBTYHT-VIFPVBQESA-N -1 0 320.276 2.846 20 5 DFBDRM CC(=O)[C@H]1C[C@H](CC(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)C1(C)C ZINC000361661135 149184413 /nfs/dbraw/zinc/18/44/13/149184413.db2.gz MVAUWCRNOIUFLL-ZYHUDNBSSA-N -1 0 320.345 2.880 20 5 DFBDRM CN(C(=O)c1ccc([N+](=O)[O-])c([O-])c1)C1Cc2ccccc2C1 ZINC000350973921 286102572 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DFBDRM Cc1ccc(NC(=O)NC2CCC(C(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000261818092 146281449 /nfs/dbraw/zinc/28/14/49/146281449.db2.gz WKJHPGBVIQPNJT-UHFFFAOYSA-N -1 0 321.333 2.668 20 5 DFBDRM CC[C@]1(C)CCN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000262224606 146343726 /nfs/dbraw/zinc/34/37/26/146343726.db2.gz XOABFLNNKFMBBL-OAHLLOKOSA-N -1 0 306.318 2.555 20 5 DFBDRM O=C([O-])[C@H]1CCCN1c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000263416701 146471433 /nfs/dbraw/zinc/47/14/33/146471433.db2.gz ODPDQSVCCXRPLD-GFCCVEGCSA-N -1 0 319.342 2.772 20 5 DFBDRM CCN(C(=O)c1ccc([N+](=O)[O-])c([O-])c1)[C@@H]1CCOC(C)(C)C1 ZINC000354578278 147085132 /nfs/dbraw/zinc/08/51/32/147085132.db2.gz NMNZSFGBXKGDNX-GFCCVEGCSA-N -1 0 322.361 2.720 20 5 DFBDRM CC[C@H](CC(F)(F)F)NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000354690093 147117817 /nfs/dbraw/zinc/11/78/17/147117817.db2.gz IBMORIUVYAFGQN-SSDOTTSWSA-N -1 0 306.240 2.761 20 5 DFBDRM O=C(N[C@H]1CCc2ccccc2C1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000355386861 147293743 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ZINC000089531537 192810961 /nfs/dbraw/zinc/81/09/61/192810961.db2.gz IPBWHTLBAIYYHM-IINYFYTJSA-N -1 0 308.334 2.834 20 5 DFBDRM CCS[C@@H]1CCC[C@@H]1NC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000280986140 216004536 /nfs/dbraw/zinc/00/45/36/216004536.db2.gz PYUUUHLKZBFINY-CMPLNLGQSA-N -1 0 310.375 2.704 20 5 DFBDRM CO[C@]1(C)C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2[O-])C1(C)C ZINC000187528809 200124143 /nfs/dbraw/zinc/12/41/43/200124143.db2.gz VXOGCFWVDSNYOQ-CZUORRHYSA-N -1 0 322.361 2.576 20 5 DFBDRM Cc1cc(NC[C@H]2CCOC2(C)C)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000595280405 398915274 /nfs/dbraw/zinc/91/52/74/398915274.db2.gz GPVOYBKXQLUCSH-SNVBAGLBSA-N -1 0 308.334 2.828 20 5 DFBDRM CC(C)OCCC[N@H+](C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000595279082 398915440 /nfs/dbraw/zinc/91/54/40/398915440.db2.gz GGHNHMLGGBMMHS-UHFFFAOYSA-N -1 0 310.350 2.540 20 5 DFBDRM CO[C@@H]1CC[N@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1(C)C ZINC000595279112 398915485 /nfs/dbraw/zinc/91/54/85/398915485.db2.gz IZWBCUQQCKQWHS-CQSZACIVSA-N -1 0 322.361 2.540 20 5 DFBDRM C[C@H]1CCCC[C@@H]1N(C)C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000237538873 202276913 /nfs/dbraw/zinc/27/69/13/202276913.db2.gz LPYNBQFDQOOVIQ-HZMBPMFUSA-N -1 0 320.345 2.944 20 5 DFBDRM Cc1ccc([N+](=O)[O-])c(C(=O)NCCCCCCC(=O)[O-])c1 ZINC000237565605 202286469 /nfs/dbraw/zinc/28/64/69/202286469.db2.gz JODQCQMVWJDZIA-UHFFFAOYSA-N -1 0 308.334 2.668 20 5 DFBDRM Cc1c(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000237746473 202343492 /nfs/dbraw/zinc/34/34/92/202343492.db2.gz PDAOEEMFUFOHDR-LBPRGKRZSA-N -1 0 320.345 2.620 20 5 DFBDRM CC[C@H]1CCC[C@H](NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000237057838 283507907 /nfs/dbraw/zinc/50/79/07/283507907.db2.gz QLBMFWDMFCGPBZ-GWCFXTLKSA-N -1 0 320.345 2.992 20 5 DFBDRM CCC[C@@]1(COC)CCCN1C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000193749873 201116520 /nfs/dbraw/zinc/11/65/20/201116520.db2.gz GCFNKUBZBBANTG-INIZCTEOSA-N -1 0 322.361 2.722 20 5 DFBDRM 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C[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000123655521 426446635 /nfs/dbraw/zinc/44/66/35/426446635.db2.gz FJUUCWPOOBCHKA-MWLCHTKSSA-N -1 0 316.354 2.591 20 5 DFBDRM CCCO[C@@H]1CCCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1 ZINC000272550755 426555455 /nfs/dbraw/zinc/55/54/55/426555455.db2.gz PFGIQWZDIMSINV-OAHLLOKOSA-N -1 0 322.361 2.722 20 5 DFBDRM CC(C)N(Cc1ccco1)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000273333183 426645154 /nfs/dbraw/zinc/64/51/54/426645154.db2.gz SVKJUXUCCQQFGV-UHFFFAOYSA-N -1 0 304.302 2.944 20 5 DFBDRM CCC(CC)(CC)NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000236626954 426667708 /nfs/dbraw/zinc/66/77/08/426667708.db2.gz DPBPQKJAWMBPFV-UHFFFAOYSA-N -1 0 308.334 2.992 20 5 DFBDRM CC1(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CCCCC1 ZINC000236653779 426671155 /nfs/dbraw/zinc/67/11/55/426671155.db2.gz QBIWQCNWBQLTGC-UHFFFAOYSA-N -1 0 306.318 2.746 20 5 DFBDRM COc1cc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)ccc1F ZINC000187636592 426678166 /nfs/dbraw/zinc/67/81/66/426678166.db2.gz ZEDOVLJGZJSFFD-UHFFFAOYSA-N -1 0 306.249 2.700 20 5 DFBDRM Cc1noc(C)c1C(C)(C)C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000280652426 426626979 /nfs/dbraw/zinc/62/69/79/426626979.db2.gz DRLIEABPLMIMAB-UHFFFAOYSA-N -1 0 319.317 2.822 20 5 DFBDRM O=C([O-])C1(NC(=O)c2cccc([N+](=O)[O-])c2)CCCCCC1 ZINC000238095641 426709671 /nfs/dbraw/zinc/70/96/71/426709671.db2.gz CKFWUBDHLIFACB-UHFFFAOYSA-N -1 0 306.318 2.502 20 5 DFBDRM CC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])c1nccs1 ZINC000179510166 426797695 /nfs/dbraw/zinc/79/76/95/426797695.db2.gz IVMYVERMBLMNKG-SNVBAGLBSA-N -1 0 307.331 2.638 20 5 DFBDRM CC(C)c1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)no1 ZINC000267042316 426815704 /nfs/dbraw/zinc/81/57/04/426815704.db2.gz HYFIOYAKTDGOIP-UHFFFAOYSA-N -1 0 311.319 2.507 20 5 DFBDRM CCOCC1(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000282044468 426820239 /nfs/dbraw/zinc/82/02/39/426820239.db2.gz UZFNKUAEYPJWQZ-UHFFFAOYSA-N -1 0 314.725 2.709 20 5 DFBDRM O=C(Nc1cc(Cl)ccc1O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000180183216 426842175 /nfs/dbraw/zinc/84/21/75/426842175.db2.gz SCOABSDCZMBMII-UHFFFAOYSA-N -1 0 308.677 2.912 20 5 DFBDRM C[C@@H](C1CC1)n1cc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])cn1 ZINC000189353786 426845059 /nfs/dbraw/zinc/84/50/59/426845059.db2.gz RDIFZRIRSMUOEN-VIFPVBQESA-N -1 0 316.317 2.720 20 5 DFBDRM Cc1c(NC(=O)NC[C@@H](CC(C)C)C(=O)[O-])cccc1[N+](=O)[O-] ZINC000323004428 426973772 /nfs/dbraw/zinc/97/37/72/426973772.db2.gz LURGJKXQUHIWBI-LLVKDONJSA-N -1 0 323.349 2.772 20 5 DFBDRM C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])c1ccc(Cl)cn1 ZINC000189735770 426935834 /nfs/dbraw/zinc/93/58/34/426935834.db2.gz DFXPCKZDLMELIC-QMMMGPOBSA-N -1 0 321.720 2.840 20 5 DFBDRM COCc1cccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)c1 ZINC000181328476 426937758 /nfs/dbraw/zinc/93/77/58/426937758.db2.gz IVHVCYXMTWPKBD-UHFFFAOYSA-N -1 0 322.342 2.542 20 5 DFBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCS[C@@H]2CCCC[C@@H]21 ZINC000182089557 427013214 /nfs/dbraw/zinc/01/32/14/427013214.db2.gz XSLAYGYZTHXJOU-GXTWGEPZSA-N -1 0 322.386 2.801 20 5 DFBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)[N-]OC/C=C/Cl ZINC000291935776 427033838 /nfs/dbraw/zinc/03/38/38/427033838.db2.gz VNALDPCONLTFEL-NOKZVFQSSA-N -1 0 316.766 2.876 20 5 DFBDRM CCO[C@@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1(C)C ZINC000121159916 271023624 /nfs/dbraw/zinc/02/36/24/271023624.db2.gz AVZSGVAMEGTTEU-UONOGXRCSA-N -1 0 322.361 2.576 20 5 DFBDRM Cc1cc(F)cc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000155002479 271050047 /nfs/dbraw/zinc/05/00/47/271050047.db2.gz MFNLIPXTQWLFAB-UHFFFAOYSA-N -1 0 310.306 2.843 20 5 DFBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCc2sccc2C1 ZINC000164071398 271092984 /nfs/dbraw/zinc/09/29/84/271092984.db2.gz RWAAOVIWLPGASD-UHFFFAOYSA-N -1 0 304.327 2.560 20 5 DFBDRM CO[C@@H]1CCC[C@@H](CC(=O)Nc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000331084820 427339751 /nfs/dbraw/zinc/33/97/51/427339751.db2.gz ZGMSIMQXRUWKMX-ZYHUDNBSSA-N -1 0 308.334 2.834 20 5 DFBDRM CC(C)[C@@H]1N(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CC12CCC2 ZINC000293637605 427391581 /nfs/dbraw/zinc/39/15/81/427391581.db2.gz KLYFYFZZNGTYDB-AWEZNQCLSA-N -1 0 304.346 2.951 20 5 DFBDRM CS[C@H]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000184794231 427540448 /nfs/dbraw/zinc/54/04/48/427540448.db2.gz HQRDCXMAYAZOCR-ONGXEEELSA-N -1 0 310.375 2.704 20 5 DFBDRM COCC[C@@H]1CCCCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000332231481 427552631 /nfs/dbraw/zinc/55/26/31/427552631.db2.gz OWOBGBQWVRZRBG-LBPRGKRZSA-N -1 0 322.361 2.579 20 5 DFBDRM C[C@@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccc(Cl)cn1 ZINC000338923373 427560622 /nfs/dbraw/zinc/56/06/22/427560622.db2.gz XVXLPXVNDYBSKG-MRVPVSSYSA-N -1 0 321.720 2.840 20 5 DFBDRM CO[C@]1(C)C[C@H]([N@H+](C)Cc2cc([O-])ccc2[N+](=O)[O-])C1(C)C ZINC000339009970 427623274 /nfs/dbraw/zinc/62/32/74/427623274.db2.gz HKCIJVFREIIHLT-GOEBONIOSA-N -1 0 308.378 2.936 20 5 DFBDRM Cc1cc(=O)[nH]c([C@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000192727822 427596054 /nfs/dbraw/zinc/59/60/54/427596054.db2.gz QZSNVCUAXSZMDZ-QWRGUYRKSA-N -1 0 302.334 2.811 20 5 DFBDRM Cc1cnc(C(C)(C)NC(=O)c2cccc([N+](=O)[O-])c2[O-])s1 ZINC000298489402 427625842 /nfs/dbraw/zinc/62/58/42/427625842.db2.gz UYRLCMSIRVKBER-UHFFFAOYSA-N -1 0 321.358 2.730 20 5 DFBDRM O=C(NCc1cc(F)ccc1F)c1cccc([O-])c1[N+](=O)[O-] ZINC000343279865 272111893 /nfs/dbraw/zinc/11/18/93/272111893.db2.gz PHIHYFKXSZHFJE-UHFFFAOYSA-N -1 0 308.240 2.509 20 5 DFBDRM CC(C)Oc1ncccc1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000185850765 427718823 /nfs/dbraw/zinc/71/88/23/427718823.db2.gz ZWRUUUSHNIPURN-UHFFFAOYSA-N -1 0 317.301 2.735 20 5 DFBDRM O=C(CCCc1nccs1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000339352077 427758454 /nfs/dbraw/zinc/75/84/54/427758454.db2.gz IFSRMCPQXSCFEO-UHFFFAOYSA-N -1 0 307.331 2.718 20 5 DFBDRM CS[C@H]1CCC[C@H](NC(=O)c2cccc([O-])c2[N+](=O)[O-])C1 ZINC000334011472 427726011 /nfs/dbraw/zinc/72/60/11/427726011.db2.gz ISOBSMPMNVKRPI-UWVGGRQHSA-N -1 0 310.375 2.704 20 5 DFBDRM Cc1n[nH]c2cc(NC(=O)c3ccc([N+](=O)[O-])cc3[O-])ccc12 ZINC000185915700 427728469 /nfs/dbraw/zinc/72/84/69/427728469.db2.gz YBUIKJJVDBBUPJ-UHFFFAOYSA-N -1 0 312.285 2.737 20 5 DFBDRM CC(C)[C@@H]([NH2+]Cc1cc([O-])ccc1[N+](=O)[O-])C1(CO)CCC1 ZINC000339738690 427819856 /nfs/dbraw/zinc/81/98/56/427819856.db2.gz VLJYWLVGALJAID-OAHLLOKOSA-N -1 0 308.378 2.577 20 5 DFBDRM Cc1ccc(O)c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000345930205 427956039 /nfs/dbraw/zinc/95/60/39/427956039.db2.gz OVQRXTZKHRBQIR-UHFFFAOYSA-N -1 0 307.693 2.910 20 5 DFBDRM CCOC(=O)CC(C)(C)CC(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000355866837 427928433 /nfs/dbraw/zinc/92/84/33/427928433.db2.gz RFSOVPMKILDPIT-UHFFFAOYSA-N -1 0 324.333 2.608 20 5 DFBDRM C[C@H]1CN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)c2ccccc2O1 ZINC000356105880 428024240 /nfs/dbraw/zinc/02/42/40/428024240.db2.gz YYNBGSQWUNQERI-JTQLQIEISA-N -1 0 314.297 2.728 20 5 DFBDRM CC(=O)Nc1cccc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC000356194787 428062249 /nfs/dbraw/zinc/06/22/49/428062249.db2.gz FOIZPZAUHBLWHP-UHFFFAOYSA-N -1 0 315.285 2.511 20 5 DFBDRM COc1ccccc1[C@@H](C)NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356231689 428078348 /nfs/dbraw/zinc/07/83/48/428078348.db2.gz XLWYPMFGRTZZAS-SNVBAGLBSA-N -1 0 316.313 2.800 20 5 DFBDRM Cc1cc(Sc2n[nH]c(=O)[n-]2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000360049750 428135145 /nfs/dbraw/zinc/13/51/45/428135145.db2.gz GQFYHOSRDLQFMA-UHFFFAOYSA-N -1 0 320.252 2.897 20 5 DFBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CC[C@H](c2ccccc2)C1 ZINC000356517126 428215480 /nfs/dbraw/zinc/21/54/80/428215480.db2.gz UGOYJKYRTMHMHC-ZDUSSCGKSA-N -1 0 312.325 2.930 20 5 DFBDRM O=C(Nc1cnn(-c2ccccc2)c1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356463532 428190664 /nfs/dbraw/zinc/19/06/64/428190664.db2.gz PJSHDWBPIPHDOR-UHFFFAOYSA-N -1 0 324.296 2.738 20 5 DFBDRM O=C(N[C@@H]1CSc2ccccc21)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356592205 428246794 /nfs/dbraw/zinc/24/67/94/428246794.db2.gz JYXHTTMGMPNTOC-CYBMUJFWSA-N -1 0 316.338 2.877 20 5 DFBDRM CC[C@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccncc1 ZINC000356606412 428250680 /nfs/dbraw/zinc/25/06/80/428250680.db2.gz ZFJMOFMBZFBUJF-AWEZNQCLSA-N -1 0 301.302 2.577 20 5 DFBDRM CN(CCc1cccs1)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356637044 428262158 /nfs/dbraw/zinc/26/21/58/428262158.db2.gz STUOPRFUOFQGMK-UHFFFAOYSA-N -1 0 306.343 2.677 20 5 DFBDRM O=C(N[C@H]1CCCC(F)(F)C1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356806630 428314970 /nfs/dbraw/zinc/31/49/70/428314970.db2.gz UFGJTVHIAHWWEV-VIFPVBQESA-N -1 0 300.261 2.608 20 5 DFBDRM CCC1(CC)[C@H](NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C[C@H]1OC ZINC000356778405 428304812 /nfs/dbraw/zinc/30/48/12/428304812.db2.gz QKQRODLATVEZAX-ZIAGYGMSSA-N -1 0 322.361 2.624 20 5 DFBDRM CC[C@H](C)n1ncc([N-]c2ncc([N+](=O)[O-])c(N)n2)c1C1CC1 ZINC000342800664 428458211 /nfs/dbraw/zinc/45/82/11/428458211.db2.gz SPJWIIOADQNUQI-QMMMGPOBSA-N -1 0 317.353 2.756 20 5 DFBDRM C=Cc1ccc(CCNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC000360745325 428424361 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COCc1ccccc1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000183410595 427263174 /nfs/dbraw/zinc/26/31/74/427263174.db2.gz ZSHUMEFXFWEZCN-UHFFFAOYSA-N -1 0 302.286 2.699 20 5 DFBDRM Cc1cc(F)c(NC(=O)NO[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000296894115 427268269 /nfs/dbraw/zinc/26/82/69/427268269.db2.gz XIQIYAWBEFZKKF-LBPRGKRZSA-N -1 0 313.285 2.622 20 5 DFBDRM CC(C)c1ccc(C(=O)N(C)CCCC(=O)[O-])cc1[N+](=O)[O-] ZINC000262843629 427377621 /nfs/dbraw/zinc/37/76/21/427377621.db2.gz AWNVJKDILKIMHY-UHFFFAOYSA-N -1 0 308.334 2.655 20 5 DFBDRM CCC[C@]1(COC)CCCN1C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000278066631 427397514 /nfs/dbraw/zinc/39/75/14/427397514.db2.gz MJSVEXDFTATRAW-MRXNPFEDSA-N -1 0 322.361 2.722 20 5 DFBDRM Cc1noc(C)c1[C@H](C)C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000183909952 427357652 /nfs/dbraw/zinc/35/76/52/427357652.db2.gz QYWSQWMWPCRZMP-ZETCQYMHSA-N -1 0 305.290 2.647 20 5 DFBDRM Cn1nccc1[C@@H]1CCCCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000331913787 427488412 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2.745 20 5 DFBDRM O=C(NCc1nccc2ccccc21)c1ccc([N+](=O)[O-])cc1[O-] ZINC000185249876 427620748 /nfs/dbraw/zinc/62/07/48/427620748.db2.gz ZANCRYOGFXWDGS-UHFFFAOYSA-N -1 0 323.308 2.779 20 5 DFBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CCOC[C@H]1c1ccccc1 ZINC000339011355 427625171 /nfs/dbraw/zinc/62/51/71/427625171.db2.gz PRXBNKWBCGYYGJ-KRWDZBQOSA-N -1 0 314.341 2.874 20 5 DFBDRM O=C(Nc1cccc(-c2cc[nH]n2)c1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000185595757 427678213 /nfs/dbraw/zinc/67/82/13/427678213.db2.gz SXVZEJRBYNUDSR-UHFFFAOYSA-N -1 0 324.296 2.943 20 5 DFBDRM CCOc1ccc([N+](=O)[O-])cc1NC(=O)CC(C)(C)CC(=O)[O-] ZINC000344583558 272341745 /nfs/dbraw/zinc/34/17/45/272341745.db2.gz LOVOHMSKSWYPMY-UHFFFAOYSA-N -1 0 324.333 2.823 20 5 DFBDRM Cc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2F)cc1[N+](=O)[O-] ZINC000336866052 427766917 /nfs/dbraw/zinc/76/69/17/427766917.db2.gz GVRFJLNMYGOXOI-UHFFFAOYSA-N -1 0 318.260 2.993 20 5 DFBDRM COCc1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000194161324 427734369 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DFBDRM CC(C)(C)c1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])n[nH]1 ZINC000089531600 398456862 /nfs/dbraw/zinc/45/68/62/398456862.db2.gz SGJYIYCRTIIXHR-UHFFFAOYSA-N -1 0 304.306 2.573 20 5 DFBDRM CC(C)(CNC(=O)c1cc([O-])ccc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000586796830 398460954 /nfs/dbraw/zinc/46/09/54/398460954.db2.gz HOXRBPRVSVZIOZ-CQSZACIVSA-N -1 0 322.361 2.626 20 5 DFBDRM O=C(NCCc1cccc([N+](=O)[O-])c1)c1c([O-])cc(F)cc1F ZINC000089912541 398469657 /nfs/dbraw/zinc/46/96/57/398469657.db2.gz NWKCSRYVCKOZBZ-UHFFFAOYSA-N -1 0 322.267 2.551 20 5 DFBDRM C[C@H]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@@H]1F ZINC000592788931 398485711 /nfs/dbraw/zinc/48/57/11/398485711.db2.gz PIBYVOQTCOOKKL-XVKPBYJWSA-N -1 0 316.716 2.774 20 5 DFBDRM CC(C)(C)c1cnc(CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)o1 ZINC000272715699 210121268 /nfs/dbraw/zinc/12/12/68/210121268.db2.gz YQYQLCWJGJWIMJ-UHFFFAOYSA-N -1 0 319.317 2.516 20 5 DFBDRM CC[C@@H](CNC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000592952743 398511079 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20 5 DFBDRM CCO[C@H]1CCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@@H]1C ZINC000592977521 398513521 /nfs/dbraw/zinc/51/35/21/398513521.db2.gz PCCQMHYHGUYTMO-HZMBPMFUSA-N -1 0 308.334 2.544 20 5 DFBDRM C[C@@H]1CN(c2nccc3cc([N+](=O)[O-])ccc32)CC[C@H]1C(=O)[O-] ZINC000592980447 398514162 /nfs/dbraw/zinc/51/41/62/398514162.db2.gz GOPJTFZUOCMPOM-ZWNOBZJWSA-N -1 0 315.329 2.690 20 5 DFBDRM Cc1cc(N[C@@H]2C[C@@H]3OCCC[C@@H]23)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000592979426 398514239 /nfs/dbraw/zinc/51/42/39/398514239.db2.gz WRMMWVGSBWEYQL-UHTWSYAYSA-N -1 0 306.318 2.581 20 5 DFBDRM C[C@H]1CN(c2nccc3cc([N+](=O)[O-])ccc32)CC[C@@H]1C(=O)[O-] ZINC000592980444 398514298 /nfs/dbraw/zinc/51/42/98/398514298.db2.gz GOPJTFZUOCMPOM-GWCFXTLKSA-N -1 0 315.329 2.690 20 5 DFBDRM CCc1cnc(CN(C)C(=O)c2cc([O-])cc([N+](=O)[O-])c2)s1 ZINC000272670799 210075680 /nfs/dbraw/zinc/07/56/80/210075680.db2.gz KQSOTTIGMKQURJ-UHFFFAOYSA-N -1 0 321.358 2.592 20 5 DFBDRM C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1[O-])CC(F)(F)F 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ZINC000262859740 186314451 /nfs/dbraw/zinc/31/44/51/186314451.db2.gz VGBRWBAHLAREMQ-MLGOLLRUSA-N -1 0 320.345 2.667 20 5 DFBDRM CC(C)c1ccc(C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000590702708 398655368 /nfs/dbraw/zinc/65/53/68/398655368.db2.gz AKQUGKWSXFOACP-OLZOCXBDSA-N -1 0 320.345 2.701 20 5 DFBDRM Cc1cc(N2CCCC(F)(F)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000593755400 398681845 /nfs/dbraw/zinc/68/18/45/398681845.db2.gz GQEIBOPSRYZXHT-UHFFFAOYSA-N -1 0 300.261 2.837 20 5 DFBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCC2(CC2(F)F)CC1 ZINC000593828613 398695485 /nfs/dbraw/zinc/69/54/85/398695485.db2.gz NMXFLTLKABSYIN-UHFFFAOYSA-N -1 0 312.272 2.562 20 5 DFBDRM CC[C@@H](C(=O)[O-])N(C)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000593924842 398703779 /nfs/dbraw/zinc/70/37/79/398703779.db2.gz ZLGMIAFFLSWJEY-JTQLQIEISA-N -1 0 322.342 2.745 20 5 DFBDRM CCC(CC)(C(=O)[O-])C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000593925195 398703806 /nfs/dbraw/zinc/70/38/06/398703806.db2.gz 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CCC(CC)(CC(=O)[O-])NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000492920513 429644980 /nfs/dbraw/zinc/64/49/80/429644980.db2.gz JXVBGNBZSMRXJT-YFHOEESVSA-N -1 0 320.345 2.758 20 5 DFBDRM Cc1cncc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)c1 ZINC000493106013 429690147 /nfs/dbraw/zinc/69/01/47/429690147.db2.gz NUEWCJFUWUMWLO-UHFFFAOYSA-N -1 0 321.358 2.716 20 5 DFBDRM O=C(NCCc1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1[O-] ZINC000527304446 429742752 /nfs/dbraw/zinc/74/27/52/429742752.db2.gz YQPUXZJQTGQXCT-UHFFFAOYSA-N -1 0 322.267 2.551 20 5 DFBDRM CC(C)O[C@@H]1C[C@@H](Nc2ncc(C(=O)[O-])cc2[N+](=O)[O-])C1(C)C ZINC000573123538 429929038 /nfs/dbraw/zinc/92/90/38/429929038.db2.gz IDXNMJGNUQOGJF-VXGBXAGGSA-N -1 0 323.349 2.692 20 5 DFBDRM CC(C)[C@@H](CO)[C@@H](Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)C(C)C ZINC000573613917 429966106 /nfs/dbraw/zinc/96/61/06/429966106.db2.gz MKJYBPCLTBMOMT-HIFRSBDPSA-N -1 0 324.377 2.994 20 5 DFBDRM C[C@@]1(C(=O)[O-])CCCN(c2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000580958045 430166463 /nfs/dbraw/zinc/16/64/63/430166463.db2.gz UXFFDDAOLJTYOD-MRXNPFEDSA-N -1 0 315.329 2.834 20 5 DFBDRM C[C@@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C[C@@H]1C(=O)[O-] ZINC000566226652 430250795 /nfs/dbraw/zinc/25/07/95/430250795.db2.gz KWUCAHKHCQQPMY-LJXYTEIVSA-N -1 0 304.346 2.651 20 5 DFBDRM CCCC[C@@H](NC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000582081320 430268246 /nfs/dbraw/zinc/26/82/46/430268246.db2.gz CNJVWLBXFMKKJB-ZWNOBZJWSA-N -1 0 323.349 2.598 20 5 DFBDRM C[C@H]1C[C@H]1c1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])o1 ZINC000542790679 430225713 /nfs/dbraw/zinc/22/57/13/430225713.db2.gz YNEGJXQBJMJATK-JOYOIKCWSA-N -1 0 316.313 2.947 20 5 DFBDRM Cc1cc(N[C@@H]2C[C@H]3OCCC[C@H]23)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000567984837 430301271 /nfs/dbraw/zinc/30/12/71/430301271.db2.gz BRVOSSZCNPFQKZ-GAJTVXKRSA-N -1 0 306.318 2.581 20 5 DFBDRM Cc1cc(NC[C@@H](O)CC(C)(C)C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000582911827 430346731 /nfs/dbraw/zinc/34/67/31/430346731.db2.gz UCLXLZVWGABXRU-NSHDSACASA-N -1 0 310.350 2.810 20 5 DFBDRM CCC[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000584150318 430463663 /nfs/dbraw/zinc/46/36/63/430463663.db2.gz NKMCCAVTYKMCLI-JTQLQIEISA-N -1 0 315.713 2.623 20 5 DFBDRM CN(C(=O)c1cc([O-])ccc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000551936412 430571903 /nfs/dbraw/zinc/57/19/03/430571903.db2.gz PJEWMKUBXCKIMJ-UHFFFAOYSA-N -1 0 308.240 2.855 20 5 DFBDRM CC(=O)Nc1ccc(-c2ccccc2C(=O)[O-])cc1[N+](=O)[O-] ZINC000571926637 430661479 /nfs/dbraw/zinc/66/14/79/430661479.db2.gz ZCVUPUWRVFLJBN-UHFFFAOYSA-N -1 0 300.270 2.918 20 5 DFBDRM Cc1c([C@H](C)Nc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cnn1C ZINC000571686367 430645444 /nfs/dbraw/zinc/64/54/44/430645444.db2.gz ACVAQMFKYOCLIP-QMMMGPOBSA-N -1 0 304.306 2.508 20 5 DFBDRM CCCCN(CCOC)c1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000571686425 430646020 /nfs/dbraw/zinc/64/60/20/430646020.db2.gz AVGWKTLXABYFNH-UHFFFAOYSA-N -1 0 310.350 2.854 20 5 DFBDRM CC1(C)CC[C@@H]([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000315328331 278268991 /nfs/dbraw/zinc/26/89/91/278268991.db2.gz MXSSESIZFPKRJI-SECBINFHSA-N -1 0 316.354 2.591 20 5 DFBDRM CC(C)C[C@@H]1C[C@@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)CCO1 ZINC000273457697 279052772 /nfs/dbraw/zinc/05/27/72/279052772.db2.gz DYGRDILGWPEBDM-QWHCGFSZSA-N -1 0 322.361 2.624 20 5 DFBDRM CC(C)[C@H]1N(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC12CCC2 ZINC000293745198 280469192 /nfs/dbraw/zinc/46/91/92/280469192.db2.gz LSXLLQRCASXINM-CQSZACIVSA-N -1 0 304.346 2.951 20 5 DFBDRM CC1(C)CCC[C@H]1NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000192967381 281067287 /nfs/dbraw/zinc/06/72/87/281067287.db2.gz XPTNMVRHNOQEHS-GFCCVEGCSA-N -1 0 306.318 2.602 20 5 DFBDRM CCC(=O)c1ccc(N2C[C@H](C)C[C@@H](C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000263058721 281974083 /nfs/dbraw/zinc/97/40/83/281974083.db2.gz AOSPNPCOGBAFBK-ZYHUDNBSSA-N -1 0 320.345 2.735 20 5 DFBDRM O=[N+]([O-])c1ccc([O-])cc1CSc1nnnn1C1CCCC1 ZINC000436472810 297004812 /nfs/dbraw/zinc/00/48/12/297004812.db2.gz BGZBGYYVKXGRNH-UHFFFAOYSA-N -1 0 321.362 2.694 20 5 DFBDRM O=C(NCc1cc(F)cc(F)c1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436518684 297008275 /nfs/dbraw/zinc/00/82/75/297008275.db2.gz SEVPSFYSBOVMTP-UHFFFAOYSA-N -1 0 308.240 2.509 20 5 DFBDRM O=C(NC1CC(c2ccccc2)C1)c1cccc([N+](=O)[O-])c1[O-] ZINC000436518084 297008500 /nfs/dbraw/zinc/00/85/00/297008500.db2.gz WHDIOPBSPPOAGQ-UHFFFAOYSA-N -1 0 312.325 2.976 20 5 DFBDRM CC(C)C[C@H]1OCCC[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000436561983 297012618 /nfs/dbraw/zinc/01/26/18/297012618.db2.gz HXQJLRHQHXUFAZ-GXTWGEPZSA-N -1 0 322.361 2.624 20 5 DFBDRM COCCN(C(=O)c1cccc([N+](=O)[O-])c1[O-])[C@H]1CC[C@@H](C)C1 ZINC000436596224 297016580 /nfs/dbraw/zinc/01/65/80/297016580.db2.gz PMKAZGHUBFKSOV-NEPJUHHUSA-N -1 0 322.361 2.578 20 5 DFBDRM C[C@@H](NC(=O)c1ccc(F)cc1[O-])c1ccccc1[N+](=O)[O-] ZINC000436626007 297019119 /nfs/dbraw/zinc/01/91/19/297019119.db2.gz GQTADIOCSBRCFI-SECBINFHSA-N -1 0 304.277 2.931 20 5 DFBDRM COc1cc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc(OC)c1 ZINC000436636359 297020211 /nfs/dbraw/zinc/02/02/11/297020211.db2.gz QDMNCOSDVIRCTE-UHFFFAOYSA-N -1 0 318.285 2.570 20 5 DFBDRM COc1cc(-c2nc3cnccc3s2)cc([N+](=O)[O-])c1[O-] ZINC000436653682 297021926 /nfs/dbraw/zinc/02/19/26/297021926.db2.gz CEDCVEOHRVFXAX-UHFFFAOYSA-N -1 0 303.299 2.981 20 5 DFBDRM C[C@H](Cc1ccccc1F)NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436670776 297023602 /nfs/dbraw/zinc/02/36/02/297023602.db2.gz HLCMRKCRRXLKMS-SNVBAGLBSA-N -1 0 318.304 2.801 20 5 DFBDRM C[C@@H](CCc1ccco1)NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436753514 297031952 /nfs/dbraw/zinc/03/19/52/297031952.db2.gz VSHUBJRVHKUVFJ-JTQLQIEISA-N -1 0 304.302 2.645 20 5 DFBDRM C[C@H]1CC(CCNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000436710403 297027445 /nfs/dbraw/zinc/02/74/45/297027445.db2.gz SYDVZFBXBZKCCV-QWRGUYRKSA-N -1 0 322.361 2.624 20 5 DFBDRM O=C(Nc1cnc2c(c1)CCCC2)c1cccc([N+](=O)[O-])c1[O-] ZINC000436740238 297030461 /nfs/dbraw/zinc/03/04/61/297030461.db2.gz QAJLBBMDMNGXDT-UHFFFAOYSA-N -1 0 313.313 2.827 20 5 DFBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CC[C@@H]1Cc1ccccc1 ZINC000436788859 297034209 /nfs/dbraw/zinc/03/42/09/297034209.db2.gz ISIHTADCCMXWBO-CYBMUJFWSA-N -1 0 312.325 2.758 20 5 DFBDRM O=C(Nc1nc2cc(F)ccc2[nH]1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436819630 297036971 /nfs/dbraw/zinc/03/69/71/297036971.db2.gz DQSPOVSDQHWQFN-UHFFFAOYSA-N -1 0 316.248 2.568 20 5 DFBDRM O=C(N[C@H]1C[C@@H]1c1cccc(F)c1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436871803 297041306 /nfs/dbraw/zinc/04/13/06/297041306.db2.gz LDXKVEXGSJDDFF-KGLIPLIRSA-N -1 0 316.288 2.725 20 5 DFBDRM O=C(N[C@H](c1cccnc1)C1CC1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436900794 297042964 /nfs/dbraw/zinc/04/29/64/297042964.db2.gz OTELSXNXHVJXBX-HNNXBMFYSA-N -1 0 313.313 2.577 20 5 DFBDRM CN(Cc1cc(F)cc(F)c1)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436902629 297043405 /nfs/dbraw/zinc/04/34/05/297043405.db2.gz QRFMXEYKTLTZKD-UHFFFAOYSA-N -1 0 322.267 2.851 20 5 DFBDRM O=C(Nc1scnc1C1CC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436977372 297049497 /nfs/dbraw/zinc/04/94/97/297049497.db2.gz RGCMIMGGWQEGTR-UHFFFAOYSA-N -1 0 305.315 2.887 20 5 DFBDRM O=C(N[C@@H]1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436943608 297046939 /nfs/dbraw/zinc/04/69/39/297046939.db2.gz FZSZDQHCALOYCO-CYBMUJFWSA-N -1 0 312.325 2.588 20 5 DFBDRM O=C(Nc1cccc(-n2cccn2)c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436947197 297047292 /nfs/dbraw/zinc/04/72/92/297047292.db2.gz FSQYLCGIZNKOGK-UHFFFAOYSA-N -1 0 324.296 2.738 20 5 DFBDRM O=C(Nc1scnc1C1CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436958158 297047706 /nfs/dbraw/zinc/04/77/06/297047706.db2.gz ZVHJZJWCBSADCG-UHFFFAOYSA-N -1 0 305.315 2.887 20 5 DFBDRM O=C(Nc1cccc2c1OCCC2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436961940 297048185 /nfs/dbraw/zinc/04/81/85/297048185.db2.gz CWCPSTQMXJWOJZ-UHFFFAOYSA-N -1 0 314.297 2.878 20 5 DFBDRM O=C(N[C@@H]1CC[C@H]2CCC[C@@H]2C1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436973161 297048841 /nfs/dbraw/zinc/04/88/41/297048841.db2.gz WNWAURMEQFDBJV-NQBHXWOUSA-N -1 0 304.346 2.999 20 5 DFBDRM O=C(N[C@@H]1CSc2ccccc21)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436986102 297050102 /nfs/dbraw/zinc/05/01/02/297050102.db2.gz FKFJZTVRKLCHJY-GFCCVEGCSA-N -1 0 316.338 2.877 20 5 DFBDRM Cc1ccc2c(c1)CCN(C(=O)c1ccc([O-])c([N+](=O)[O-])c1)C2 ZINC000436993536 297051037 /nfs/dbraw/zinc/05/10/37/297051037.db2.gz DBYIYPISFLWKRG-UHFFFAOYSA-N -1 0 312.325 2.807 20 5 DFBDRM COC1CCC(CCNC(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000436992984 297051371 /nfs/dbraw/zinc/05/13/71/297051371.db2.gz ZPELNNJBAVCGTN-UHFFFAOYSA-N -1 0 322.361 2.626 20 5 DFBDRM Cc1ccc2c(c1)CCN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])C2 ZINC000436996023 297051727 /nfs/dbraw/zinc/05/17/27/297051727.db2.gz RYEVQTIOAJVJBQ-UHFFFAOYSA-N -1 0 312.325 2.807 20 5 DFBDRM O=C(N[C@@H]1[C@H]2CCc3ccccc3[C@@H]12)c1ccc([N+](=O)[O-])cc1[O-] ZINC000437003248 297052257 /nfs/dbraw/zinc/05/22/57/297052257.db2.gz ZZYYUFGVGQKMJY-USXIJHARSA-N -1 0 324.336 2.759 20 5 DFBDRM O=C(NC[C@@H]1CCC[C@@H]1C1CC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000412478471 295627896 /nfs/dbraw/zinc/62/78/96/295627896.db2.gz QDOOQKKHCIUVOK-QWHCGFSZSA-N -1 0 304.346 2.857 20 5 DFBDRM CCCn1ncc([N-]c2ncc([N+](=O)[O-])c(C)n2)c1C1CC1 ZINC000450637951 297659910 /nfs/dbraw/zinc/65/99/10/297659910.db2.gz HWNIOUCGFOOWDY-UHFFFAOYSA-N -1 0 302.338 2.921 20 5 DFBDRM C[C@@H]1Cc2c(ncn2Cc2cc([O-])ccc2[N+](=O)[O-])C[C@@H]1C ZINC000451337748 297790806 /nfs/dbraw/zinc/79/08/06/297790806.db2.gz GPQARQSWBATIMZ-WDEREUQCSA-N -1 0 301.346 2.916 20 5 DFBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCS[C@H]2CCCC[C@H]21 ZINC000158083552 304553288 /nfs/dbraw/zinc/55/32/88/304553288.db2.gz PCIFIDHVGRIVJK-YPMHNXCESA-N -1 0 322.386 2.801 20 5 DFBDRM C[C@]12CN(C(=O)c3ccc([N+](=O)[O-])cc3[O-])C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000515040474 300286036 /nfs/dbraw/zinc/28/60/36/300286036.db2.gz DPWAEDQKSFENCQ-KOZDUTSQSA-N -1 0 316.357 2.809 20 5 DFBDRM Cc1csc([C@@H](C)CNc2nccc(C(=O)[O-])c2[N+](=O)[O-])n1 ZINC000519701585 300471255 /nfs/dbraw/zinc/47/12/55/300471255.db2.gz HWSIXKBFEKAJOK-ZETCQYMHSA-N -1 0 322.346 2.669 20 5 DFBDRM COc1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2[O-])c(C)c1 ZINC000532672420 301166842 /nfs/dbraw/zinc/16/68/42/301166842.db2.gz SPOGJXHLQZGSGY-UHFFFAOYSA-N -1 0 316.313 2.547 20 5 DFBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCC[C@H]1c1ccccn1 ZINC000541861650 301399659 /nfs/dbraw/zinc/39/96/59/301399659.db2.gz WZIBYVZIYQNGGD-AWEZNQCLSA-N -1 0 313.313 2.673 20 5 DFBDRM CCC1(CNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CCOCC1 ZINC000563205537 302048967 /nfs/dbraw/zinc/04/89/67/302048967.db2.gz CBCNNYRHUAMGGT-UHFFFAOYSA-N -1 0 322.361 2.841 20 5 DFBDRM CN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C(C)(C)C(=O)[O-] ZINC000563281675 302057583 /nfs/dbraw/zinc/05/75/83/302057583.db2.gz AWMJCOLAURALQJ-UHFFFAOYSA-N -1 0 319.317 2.545 20 5 DFBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCCC3(CCOCC3)C2)c1 ZINC000565036167 302186954 /nfs/dbraw/zinc/18/69/54/302186954.db2.gz PESLZELHUYHWRR-UHFFFAOYSA-N -1 0 320.345 2.690 20 5 DFBDRM CCC(CC)[C@@H](O)CNc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000565035874 302187063 /nfs/dbraw/zinc/18/70/63/302187063.db2.gz NEKNWRDOFJHKES-ZDUSSCGKSA-N -1 0 310.350 2.810 20 5 DFBDRM COC[C@H]1CCCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CC1 ZINC000565718037 302239062 /nfs/dbraw/zinc/23/90/62/302239062.db2.gz DYFNSVNDFNFDGI-NSHDSACASA-N -1 0 308.334 2.546 20 5 DFBDRM CC[C@H]1C[C@H](Nc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CCO1 ZINC000566290922 302275115 /nfs/dbraw/zinc/27/51/15/302275115.db2.gz LIDMUVWIODJJDS-NEPJUHHUSA-N -1 0 308.334 2.591 20 5 DFBDRM O=C([O-])c1cc(NCC2(CCO)CCCC2)ccc1[N+](=O)[O-] ZINC000566292620 302275326 /nfs/dbraw/zinc/27/53/26/302275326.db2.gz VNSZRBHPGXOQIY-UHFFFAOYSA-N -1 0 308.334 2.648 20 5 DFBDRM C[C@H](Cc1ccncc1)Nc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000567977481 302404980 /nfs/dbraw/zinc/40/49/80/302404980.db2.gz AHKFPQJRLGLKON-LLVKDONJSA-N -1 0 315.329 2.660 20 5 DFBDRM Cc1cc(N(C)C[C@H]2CCCC[C@@H]2O)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000569579288 302526582 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322.361 2.749 20 5 DFBDRM O=C(Nc1nccn1-c1ccccc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000338885788 427538797 /nfs/dbraw/zinc/53/87/97/427538797.db2.gz YJCXIYOBBBHZBZ-UHFFFAOYSA-N -1 0 324.296 2.738 20 5 DFBDRM CCS[C@@H]1CCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184846626 427551215 /nfs/dbraw/zinc/55/12/15/427551215.db2.gz BJOVBFYZLQKDLT-WCQYABFASA-N -1 0 310.375 2.704 20 5 DFBDRM CO[C@]1(C)C[C@@H](N(C)C(=O)c2cccc([O-])c2[N+](=O)[O-])C1(C)C ZINC000332447950 427614021 /nfs/dbraw/zinc/61/40/21/427614021.db2.gz MPIULMUSYMCYHL-MLGOLLRUSA-N -1 0 322.361 2.576 20 5 DFBDRM CC(C)O[C@H]1C[C@H](NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1(C)C ZINC000332455535 427614610 /nfs/dbraw/zinc/61/46/10/427614610.db2.gz OCXQNQIGJBQMGF-KBPBESRZSA-N -1 0 322.361 2.622 20 5 DFBDRM O=C(Nc1ccccc1-n1cccn1)c1cccc([O-])c1[N+](=O)[O-] ZINC000342960281 272071935 /nfs/dbraw/zinc/07/19/35/272071935.db2.gz MMSMWDKKNBGNRU-UHFFFAOYSA-N -1 0 324.296 2.738 20 5 DFBDRM O=[N+]([O-])c1ccc([O-])cc1CN[C@H](CO)c1ccc(Cl)cc1 ZINC000339080731 427667327 /nfs/dbraw/zinc/66/73/27/427667327.db2.gz MJSHUIQYKUNASI-CQSZACIVSA-N -1 0 322.748 2.777 20 5 DFBDRM CCOc1ccccc1N(C)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000185602662 427678258 /nfs/dbraw/zinc/67/82/58/427678258.db2.gz VRFVLWSQPZTCGP-UHFFFAOYSA-N -1 0 316.313 2.976 20 5 DFBDRM CCc1ccc(O)c(NC(=O)c2cccc([O-])c2[N+](=O)[O-])c1 ZINC000343816389 272225305 /nfs/dbraw/zinc/22/53/05/272225305.db2.gz SSLIGKGMSMRXRJ-UHFFFAOYSA-N -1 0 302.286 2.821 20 5 DFBDRM O=C(c1cccc([O-])c1[N+](=O)[O-])N1CCc2ccc(F)cc2C1 ZINC000339342491 427756820 /nfs/dbraw/zinc/75/68/20/427756820.db2.gz GAKLQLXQUUBXIJ-UHFFFAOYSA-N -1 0 316.288 2.638 20 5 DFBDRM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2cnccc2C)c1 ZINC000336860291 427764189 /nfs/dbraw/zinc/76/41/89/427764189.db2.gz POENYEVUXADMCQ-UHFFFAOYSA-N -1 0 321.358 2.716 20 5 DFBDRM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CCc2ccc(F)cc21 ZINC000336861599 427765028 /nfs/dbraw/zinc/76/50/28/427765028.db2.gz CZTTYFFIUHNGDI-UHFFFAOYSA-N -1 0 302.261 2.642 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DFBDRM CC(=O)c1cccc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC000356360666 428143267 /nfs/dbraw/zinc/14/32/67/428143267.db2.gz MDMAOFSPLSUVRQ-UHFFFAOYSA-N -1 0 300.270 2.755 20 5 DFBDRM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc([N+](=O)[O-])cc1 ZINC000360040771 428129939 /nfs/dbraw/zinc/12/99/39/428129939.db2.gz FUYLVYJPLPWSGO-UHFFFAOYSA-N -1 0 310.306 2.843 20 5 DFBDRM CSc1cc(C)ccc1NC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000413891003 428163804 /nfs/dbraw/zinc/16/38/04/428163804.db2.gz FEQDGVHTYCAWKE-UHFFFAOYSA-N -1 0 320.374 2.919 20 5 DFBDRM CC(C)CCO[C@@H]1CCN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000346444968 428174549 /nfs/dbraw/zinc/17/45/49/428174549.db2.gz YZGVFCXBNVRKHY-CYBMUJFWSA-N -1 0 322.361 2.578 20 5 DFBDRM CC[C@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1nccs1 ZINC000356595288 428245932 /nfs/dbraw/zinc/24/59/32/428245932.db2.gz MMTOHHYETQQEKO-NSHDSACASA-N -1 0 307.331 2.638 20 5 DFBDRM CCc1ccccc1CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356597179 428248607 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Cc1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)ccc1C(=O)[O-] ZINC000237713715 426695380 /nfs/dbraw/zinc/69/53/80/426695380.db2.gz YHYOTUMPKBVZLF-UHFFFAOYSA-N -1 0 314.297 2.783 20 5 DFBDRM COc1cc(F)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179418917 426788002 /nfs/dbraw/zinc/78/80/02/426788002.db2.gz FKROFWGRPFRSNF-UHFFFAOYSA-N -1 0 306.249 2.700 20 5 DFBDRM CC(C)n1cc(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])cn1 ZINC000189126391 426821838 /nfs/dbraw/zinc/82/18/38/426821838.db2.gz LISJIFXGMYLZBS-UHFFFAOYSA-N -1 0 324.724 2.984 20 5 DFBDRM C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC12CCC2 ZINC000274827125 426846573 /nfs/dbraw/zinc/84/65/73/426846573.db2.gz RFIMFGDCFYBBQY-LLVKDONJSA-N -1 0 304.346 2.953 20 5 DFBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])C(=O)c1ccc(Cl)cc1 ZINC000180772854 426888531 /nfs/dbraw/zinc/88/85/31/426888531.db2.gz SCAOQZFLGHVXDY-UHFFFAOYSA-N -1 0 320.688 2.775 20 5 DFBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCC[C@H](C(F)(F)F)C1 ZINC000181857955 426984977 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306.318 2.733 20 5 DFBDRM C[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[C@H](C)C(=O)[O-] ZINC000263430160 427487856 /nfs/dbraw/zinc/48/78/56/427487856.db2.gz KMHBNGQKCRCOOQ-YUMQZZPRSA-N -1 0 322.342 2.649 20 5 DFBDRM Cc1ccncc1[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000191776913 427424829 /nfs/dbraw/zinc/42/48/29/427424829.db2.gz VMDLHJGJSJARAM-UHFFFAOYSA-N -1 0 321.358 2.716 20 5 DFBDRM CC(=O)c1cc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])ccc1F ZINC000341125436 271784600 /nfs/dbraw/zinc/78/46/00/271784600.db2.gz WSHFQWMMLXRBAG-UHFFFAOYSA-N -1 0 318.260 2.894 20 5 DFBDRM O=C(N[C@H]1CCCc2occc21)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184634961 427508362 /nfs/dbraw/zinc/50/83/62/427508362.db2.gz ZFQFBJLMKXIJCQ-LBPRGKRZSA-N -1 0 302.286 2.701 20 5 DFBDRM O=C(N[C@@H]1CCCc2occc21)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184634944 427509100 /nfs/dbraw/zinc/50/91/00/427509100.db2.gz ZFQFBJLMKXIJCQ-GFCCVEGCSA-N -1 0 302.286 2.701 20 5 DFBDRM Cc1cc(N(C)C[C@@H](C)C(=O)[O-])c2cccc([N+](=O)[O-])c2n1 ZINC000263545370 427516310 /nfs/dbraw/zinc/51/63/10/427516310.db2.gz GOBXYRLSIOYFKS-SECBINFHSA-N -1 0 303.318 2.608 20 5 DFBDRM Cc1csc([C@H](C)CNC(=O)c2cccc([N+](=O)[O-])c2[O-])n1 ZINC000184703660 427521654 /nfs/dbraw/zinc/52/16/54/427521654.db2.gz IBCYAMAHTSCMEH-MRVPVSSYSA-N -1 0 321.358 2.599 20 5 DFBDRM CCCN(C[C@H]1CCCCO1)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184761731 427532180 /nfs/dbraw/zinc/53/21/80/427532180.db2.gz MJARWHBGNIGMMG-CYBMUJFWSA-N -1 0 322.361 2.722 20 5 DFBDRM CC(C)O[C@H]1C[C@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1(C)C ZINC000332441468 427612437 /nfs/dbraw/zinc/61/24/37/427612437.db2.gz KAJZSRIXYRTZET-KBPBESRZSA-N -1 0 322.361 2.622 20 5 DFBDRM CC(C)O[C@@H]1C[C@@H](NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1(C)C ZINC000332455541 427615493 /nfs/dbraw/zinc/61/54/93/427615493.db2.gz OCXQNQIGJBQMGF-ZIAGYGMSSA-N -1 0 322.361 2.622 20 5 DFBDRM C[C@H](c1cccc(O)c1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184870857 427556895 /nfs/dbraw/zinc/55/68/95/427556895.db2.gz 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DFBDRM CS[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1)C(C)(C)C ZINC000345282751 428829429 /nfs/dbraw/zinc/82/94/29/428829429.db2.gz SVLCQOLMOYZZFN-LBPRGKRZSA-N -1 0 312.391 2.808 20 5 DFBDRM Cn1cc(/C=C\c2ncc([N+](=O)[O-])cc2C(=O)[O-])c(C(F)F)n1 ZINC000359156966 428843608 /nfs/dbraw/zinc/84/36/08/428843608.db2.gz FVOBFWMWUOPRFI-IHWYPQMZSA-N -1 0 324.243 2.530 20 5 DFBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCc2c1c(F)ccc2F ZINC000354089149 428855683 /nfs/dbraw/zinc/85/56/83/428855683.db2.gz BPRBEFDOMMQHSR-UHFFFAOYSA-N -1 0 320.251 2.782 20 5 DFBDRM COc1cc(NC(=O)c2cccc([O-])c2[N+](=O)[O-])cc(OC)c1 ZINC000354273456 428949539 /nfs/dbraw/zinc/94/95/39/428949539.db2.gz STSWQRNUDBWYHJ-UHFFFAOYSA-N -1 0 318.285 2.570 20 5 DFBDRM O=C(NC[C@H]1CCC[C@@H]1C1CC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000412478469 429049766 /nfs/dbraw/zinc/04/97/66/429049766.db2.gz QDOOQKKHCIUVOK-CHWSQXEVSA-N -1 0 304.346 2.857 20 5 DFBDRM Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC000424468509 429144750 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DFBDRM Cn1c(C(=O)Nc2cc(Cl)c([O-])cc2F)ccc1[N+](=O)[O-] ZINC000345662786 427849341 /nfs/dbraw/zinc/84/93/41/427849341.db2.gz UFQPZPQSPWQRMK-UHFFFAOYSA-N -1 0 313.672 2.684 20 5 DFBDRM C[C@@H]1C[C@@H](c2noc(-c3ccc([N+](=O)[O-])c([O-])c3)n2)CCO1 ZINC000350650138 427960655 /nfs/dbraw/zinc/96/06/55/427960655.db2.gz LEMXDIIAHKIDBC-BDAKNGLRSA-N -1 0 305.290 2.633 20 5 DFBDRM C[C@H]1C[C@H](c2noc(-c3ccc([N+](=O)[O-])c([O-])c3)n2)CCO1 ZINC000350650139 427961510 /nfs/dbraw/zinc/96/15/10/427961510.db2.gz LEMXDIIAHKIDBC-DTWKUNHWSA-N -1 0 305.290 2.633 20 5 DFBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCCC[C@H]1C(F)F ZINC000337603391 427977322 /nfs/dbraw/zinc/97/73/22/427977322.db2.gz UBIMGGKKSGGAFD-NSHDSACASA-N -1 0 300.261 2.560 20 5 DFBDRM C[C@@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1[O-])c1cccnc1 ZINC000356291374 428107403 /nfs/dbraw/zinc/10/74/03/428107403.db2.gz HWIBUPPHXWNBTR-JTQLQIEISA-N -1 0 301.302 2.828 20 5 DFBDRM O=[N+]([O-])c1cc2ccccc2nc1[N-]c1ccn(CC(F)F)n1 ZINC000352356282 428131995 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O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCCc2ccccc2C1 ZINC000356546592 428229374 /nfs/dbraw/zinc/22/93/74/428229374.db2.gz JGBNLIARZUOVNW-UHFFFAOYSA-N -1 0 312.325 2.889 20 5 DFBDRM O=C(NCCc1cccc(F)c1F)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356574970 428238109 /nfs/dbraw/zinc/23/81/09/428238109.db2.gz JWLKLWQNZCPGOP-UHFFFAOYSA-N -1 0 322.267 2.551 20 5 DFBDRM CC[C@@H](C)[C@H](OC)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000356682925 428270894 /nfs/dbraw/zinc/27/08/94/428270894.db2.gz UXCTYAGTQMZUKQ-KRTXAFLBSA-N -1 0 316.741 2.953 20 5 DFBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1cnoc1C1CC1 ZINC000414376799 428277276 /nfs/dbraw/zinc/27/72/76/428277276.db2.gz ATALDVINZKDIHS-UHFFFAOYSA-N -1 0 323.330 2.569 20 5 DFBDRM CC[C@@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1c(C)noc1C ZINC000356711933 428280678 /nfs/dbraw/zinc/28/06/78/428280678.db2.gz BPJFXOREIXXSNY-CYBMUJFWSA-N -1 0 319.317 2.786 20 5 DFBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCc2cc(F)ccc2C1 ZINC000356791119 428307789 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CO[C@H](CNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])C(C)C ZINC000831519744 600803697 /nfs/dbraw/zinc/80/36/97/600803697.db2.gz QXZFWCYHCYAGGV-BRLPQQTGSA-N -1 0 308.334 2.776 20 5 DFBDRM C[C@H](Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000827767625 600819032 /nfs/dbraw/zinc/81/90/32/600819032.db2.gz FXRCMCQZXKKKRL-BIZURNDZSA-N -1 0 306.318 2.530 20 5 DFBDRM C[C@@H]1CCC[C@@H](C)N(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000237576537 600870202 /nfs/dbraw/zinc/87/02/02/600870202.db2.gz ZYVXOPBHEXSSCF-GHMZBOCLSA-N -1 0 320.345 2.944 20 5 DFBDRM O=C([O-])[C@H]1CCC[C@H](C(=O)OCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000833189216 601186054 /nfs/dbraw/zinc/18/60/54/601186054.db2.gz QBLNYBDIKHJZKL-STQMWFEESA-N -1 0 321.329 2.572 20 5 DFBDRM O=C([O-])[C@H]1CCC[C@@H](C(=O)OCc2csc([N+](=O)[O-])c2)C1 ZINC000833190772 601192594 /nfs/dbraw/zinc/19/25/94/601192594.db2.gz YVFZANLMHMBHRR-VHSXEESVSA-N -1 0 313.331 2.591 20 5 DFBDRM CCc1ccc(OC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000830253730 601239774 /nfs/dbraw/zinc/23/97/74/601239774.db2.gz LJFNYVJEPBBIKQ-NWDGAFQWSA-N -1 0 321.329 2.954 20 5 DFBDRM O=C([O-])[C@@]1(F)CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000833175948 601379382 /nfs/dbraw/zinc/37/93/82/601379382.db2.gz NOIBNRCOVUZOSK-LLVKDONJSA-N -1 0 322.214 2.617 20 5 DFBDRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000828645406 601449388 /nfs/dbraw/zinc/44/93/88/601449388.db2.gz NVNSCLJWHJTMDR-ZDUSSCGKSA-N -1 0 314.725 2.621 20 5 DFBDRM C[C@@]1(CNc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CCCO1 ZINC000828106903 601560760 /nfs/dbraw/zinc/56/07/60/601560760.db2.gz HMFQQTNSBSYAHI-VOKGJARPSA-N -1 0 306.318 2.674 20 5 DFBDRM Cc1nn(Cc2ccccc2[N+](=O)[O-])c(C)c1[C@@H](C)C(=O)[O-] ZINC000833020803 601779666 /nfs/dbraw/zinc/77/96/66/601779666.db2.gz AHFZTDCVSPLYDJ-SECBINFHSA-N -1 0 303.318 2.645 20 5 DFBDRM O=C([O-])/C=C\c1ccc(NCCc2ccncc2)c([N+](=O)[O-])c1 ZINC000833197231 601896603 /nfs/dbraw/zinc/89/66/03/601896603.db2.gz 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Cc1ncc([N+](=O)[O-])cc1C(=O)Oc1cccc(NC(=O)[O-])c1 ZINC000830814105 603482993 /nfs/dbraw/zinc/48/29/93/603482993.db2.gz XWPULWDRMLVJIT-UHFFFAOYSA-N -1 0 317.257 2.607 20 5 DFBDRM O=C([O-])NCCSc1ccc(Br)cc1[N+](=O)[O-] ZINC000832672298 603492060 /nfs/dbraw/zinc/49/20/60/603492060.db2.gz OWJLGXIKGVSHEZ-UHFFFAOYSA-N -1 0 321.152 2.717 20 5 DFBDRM CCN(CC1CCN(c2ncc(C)cc2[N+](=O)[O-])CC1)C(=O)[O-] ZINC000827110448 603526354 /nfs/dbraw/zinc/52/63/54/603526354.db2.gz CAPXUOVSMVOZMU-UHFFFAOYSA-N -1 0 322.365 2.515 20 5 DFBDRM CCC[C@@H](NC(=O)[O-])C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000826750437 603775284 /nfs/dbraw/zinc/77/52/84/603775284.db2.gz IQVWBELRJUUOSH-ZYHUDNBSSA-N -1 0 323.349 2.517 20 5 DFBDRM C[C@@H](CNC(=O)[O-])N(C)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000824967577 603891373 /nfs/dbraw/zinc/89/13/73/603891373.db2.gz UAAMJUBPMAHJHC-ZETCQYMHSA-N -1 0 321.255 2.706 20 5 DFBDRM Cc1cc(N[C@@H]2CCCC[C@H]2CNC(=O)[O-])ncc1[N+](=O)[O-] ZINC000830117436 603892609 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DFBDRM CC(C)CN(CCC(=O)[O-])c1ncc(Cl)cc1[N+](=O)[O-] ZINC000826875621 604459502 /nfs/dbraw/zinc/45/95/02/604459502.db2.gz FVZAQFOCZWNWPY-UHFFFAOYSA-N -1 0 301.730 2.580 20 5 DFBDRM O=C([O-])C[C@H]1CCCN1c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000833212270 604469810 /nfs/dbraw/zinc/46/98/10/604469810.db2.gz YGDVMMSATMOYLC-MRVPVSSYSA-N -1 0 316.260 2.640 20 5 DFBDRM CN(Cc1c[nH]c(C(=O)[O-])c1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000833694340 604524183 /nfs/dbraw/zinc/52/41/83/604524183.db2.gz GMPMVPJYECCACZ-UHFFFAOYSA-N -1 0 323.736 2.907 20 5 DFBDRM Cc1cc([C@@H](C)OC(=O)c2ccc([N+](=O)[O-])o2)oc1C(=O)[O-] ZINC000832877441 604545066 /nfs/dbraw/zinc/54/50/66/604545066.db2.gz ZAJMODJLYQVLJL-SSDOTTSWSA-N -1 0 309.230 2.705 20 5 DFBDRM Cc1ccc(C(=O)O[C@H]2CCCC[C@@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000833747847 604771423 /nfs/dbraw/zinc/77/14/23/604771423.db2.gz LVXLPVDAOZKKBI-AAEUAGOBSA-N -1 0 307.302 2.703 20 5 DFBDRM CC(C)C[C@H](NC(=O)[O-])C(=O)O[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000833482473 605054784 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COc1cccc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2[O-])c1 ZINC000436946426 297046621 /nfs/dbraw/zinc/04/66/21/297046621.db2.gz IWKFODMCEWCECY-JTQLQIEISA-N -1 0 316.313 2.800 20 5 DFBDRM O=C(Nc1nc2c(s1)CCCC2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436954288 297047463 /nfs/dbraw/zinc/04/74/63/297047463.db2.gz VDEAUSWENNGLGV-UHFFFAOYSA-N -1 0 319.342 2.888 20 5 DFBDRM O=C(Nc1ccc(Cl)cc1O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436954686 297047769 /nfs/dbraw/zinc/04/77/69/297047769.db2.gz ACIHKFNWWHUXFU-UHFFFAOYSA-N -1 0 308.677 2.912 20 5 DFBDRM CC(C)CSCCCNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436957980 297047782 /nfs/dbraw/zinc/04/77/82/297047782.db2.gz ZBIZUTNPGOVNHW-UHFFFAOYSA-N -1 0 312.391 2.810 20 5 DFBDRM Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])cc2n[nH]cc21 ZINC000436962790 297048231 /nfs/dbraw/zinc/04/82/31/297048231.db2.gz XTLPTMIAVCKBOC-UHFFFAOYSA-N -1 0 312.285 2.737 20 5 DFBDRM O=C(NCCc1cccc(F)c1F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436970145 297048351 /nfs/dbraw/zinc/04/83/51/297048351.db2.gz 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322.346 2.747 20 5 DFBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1c[nH]c(C(F)(F)F)c1 ZINC000343883398 284537730 /nfs/dbraw/zinc/53/77/30/284537730.db2.gz VDQMSWBCENPGEF-UHFFFAOYSA-N -1 0 315.207 2.900 20 5 DFBDRM O=C([O-])CN(C(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000618940620 399262670 /nfs/dbraw/zinc/26/26/70/399262670.db2.gz YWIUHGGQORBSPH-UHFFFAOYSA-N -1 0 321.333 2.846 20 5 DFBDRM CC[C@@H](NC(=O)N[C@](C)(CC)C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000619542203 399359316 /nfs/dbraw/zinc/35/93/16/399359316.db2.gz OFUAVJJMHRCMAM-IUODEOHRSA-N -1 0 323.349 2.598 20 5 DFBDRM CCC(C)(C)N(C)C(=O)Nc1cccc([N+](=O)[O-])c1C(=O)[O-] ZINC000619588958 399365429 /nfs/dbraw/zinc/36/54/29/399365429.db2.gz QFRBJNMIIYADFY-UHFFFAOYSA-N -1 0 309.322 2.945 20 5 DFBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@H]1CCCS1 ZINC000273574830 210883500 /nfs/dbraw/zinc/88/35/00/210883500.db2.gz JMVQQTOPHLUFHU-SECBINFHSA-N -1 0 302.739 2.788 20 5 DFBDRM C[C@@H](CCc1ccco1)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000273380966 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313.269 2.929 20 5 DFBDRM O=C(N[C@H]1C[C@@H]1c1cccc(F)c1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000351640904 286178746 /nfs/dbraw/zinc/17/87/46/286178746.db2.gz JYXNSFMCVOUABO-OCCSQVGLSA-N -1 0 316.288 2.725 20 5 DFBDRM CCO[C@@H]1C[C@@H](N(C)C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1(C)C ZINC000164734859 286244754 /nfs/dbraw/zinc/24/47/54/286244754.db2.gz JHHDWDMZXBRVBV-ZIAGYGMSSA-N -1 0 322.361 2.576 20 5 DFBDRM O=C(Cc1ccc(O)cc1Cl)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000182911693 158009389 /nfs/dbraw/zinc/00/93/89/158009389.db2.gz KSMVGXITQJBDGY-UHFFFAOYSA-N -1 0 322.704 2.841 20 5 DFBDRM COc1cc(/C=C/c2ncc(C(=O)[O-])s2)ccc1[N+](=O)[O-] ZINC000355908714 158302794 /nfs/dbraw/zinc/30/27/94/158302794.db2.gz QZRAQSNMVAIZPW-HWKANZROSA-N -1 0 306.299 2.929 20 5 DFBDRM O=C(N[C@H]1C[C@H]1c1cccc(F)c1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000067594338 425911631 /nfs/dbraw/zinc/91/16/31/425911631.db2.gz SZQCKFCHWBVYIE-STQMWFEESA-N -1 0 316.288 2.725 20 5 DFBDRM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2cccc3[nH]ccc32)c1 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300.270 2.755 20 5 DFBDRM O=C(N[C@H]1CCOc2ccccc21)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164020662 426111368 /nfs/dbraw/zinc/11/13/68/426111368.db2.gz TZBHOQWTGILEBS-LBPRGKRZSA-N -1 0 314.297 2.554 20 5 DFBDRM CC[C@@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1nc(C)cs1 ZINC000164542976 426114837 /nfs/dbraw/zinc/11/48/37/426114837.db2.gz QMINHAVTRHJPDB-SNVBAGLBSA-N -1 0 321.358 2.946 20 5 DFBDRM CCS[C@H]1CCC[C@@H]1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164869528 426118329 /nfs/dbraw/zinc/11/83/29/426118329.db2.gz XFPDDEOLXJFHAB-GWCFXTLKSA-N -1 0 310.375 2.704 20 5 DFBDRM CC(C)c1nnc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])s1 ZINC000130372100 426156982 /nfs/dbraw/zinc/15/69/82/426156982.db2.gz CZTLWVQABGJZKB-UHFFFAOYSA-N -1 0 308.319 2.528 20 5 DFBDRM O=C(Cc1noc2ccccc12)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000089531085 426295890 /nfs/dbraw/zinc/29/58/90/426295890.db2.gz PNSFGILRYSHERF-UHFFFAOYSA-N -1 0 313.269 2.623 20 5 DFBDRM Cc1cccc([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])n1 ZINC000152208312 426332174 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O=C(c1cc(F)c([O-])c(F)c1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000186822928 426598392 /nfs/dbraw/zinc/59/83/92/426598392.db2.gz UTZSLZHVFSKAIH-UHFFFAOYSA-N -1 0 320.251 2.782 20 5 DFBDRM C[C@@H]1CCCC[C@@H]1OCCNC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000280809918 426660365 /nfs/dbraw/zinc/66/03/65/426660365.db2.gz QLHMQFPFYOHUGR-RISCZKNCSA-N -1 0 322.361 2.626 20 5 DFBDRM CC1CCC(N(C)C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000236665195 426673204 /nfs/dbraw/zinc/67/32/04/426673204.db2.gz VIFZQTSDNAQFHW-UHFFFAOYSA-N -1 0 320.345 2.944 20 5 DFBDRM CC1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2C(=O)[O-])CC1 ZINC000281905117 426789688 /nfs/dbraw/zinc/78/96/88/426789688.db2.gz ZKIAMMRKMJREOH-UHFFFAOYSA-N -1 0 307.306 2.557 20 5 DFBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CC[C@H](c2ccccc2)C1 ZINC000179462249 426791822 /nfs/dbraw/zinc/79/18/22/426791822.db2.gz LQHJWBVCNGWPOA-ZDUSSCGKSA-N -1 0 312.325 2.930 20 5 DFBDRM C[C@H](c1cccnc1)N(C)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179460512 426793173 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DFBDRM Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])c(C)c1O ZINC000184453491 427465490 /nfs/dbraw/zinc/46/54/90/427465490.db2.gz BZLOPSAJDQBFRE-UHFFFAOYSA-N -1 0 302.286 2.875 20 5 DFBDRM CC(C)(C)CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000263131697 427421435 /nfs/dbraw/zinc/42/14/35/427421435.db2.gz LPQKZYFQSBJSQT-GFCCVEGCSA-N -1 0 308.334 2.604 20 5 DFBDRM Cc1ccc(C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000263178190 427432521 /nfs/dbraw/zinc/43/25/21/427432521.db2.gz RAOQCDJJVWZARX-LBPRGKRZSA-N -1 0 322.361 2.913 20 5 DFBDRM CC(C)(C)c1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])s1 ZINC000184685980 427517176 /nfs/dbraw/zinc/51/71/76/427517176.db2.gz HDNQQPCCAQTSRQ-UHFFFAOYSA-N -1 0 322.346 2.702 20 5 DFBDRM C[C@H](c1ccncc1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184712304 427523749 /nfs/dbraw/zinc/52/37/49/427523749.db2.gz OZJRWPUXBAWEBI-SNVBAGLBSA-N -1 0 301.302 2.529 20 5 DFBDRM O=C(NCc1nc(C2CC2)cs1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184848237 427551598 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