smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N=C(Nc1cnc([N+](=O)[O-])cn1)SCCS(=O)(=O)[O-] ZINC001168093352 749396942 /nfs/dbraw/zinc/39/69/42/749396942.db2.gz MSVLCBDRXGZXGO-UHFFFAOYSA-N -1 0 307.313 0.352 20 5 DCBDRM O=C(N[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1cn[nH]n1 ZINC001059880382 749670146 /nfs/dbraw/zinc/67/01/46/749670146.db2.gz GIHSHVZWGFYYKN-OCAPTIKFSA-N -1 0 303.282 0.481 20 5 DCBDRM O=C1[N-]C(=O)[C@H](Nc2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])S1 ZINC001155841827 760203223 /nfs/dbraw/zinc/20/32/23/760203223.db2.gz IBZMXIFMBULJQM-SSDOTTSWSA-N -1 0 304.671 0.603 20 5 DCBDRM COc1ccc([N+](=O)[O-])cc1C(=O)[N-]N1C(=O)[C@H](C)N(C)C1=O ZINC001148179912 767931190 /nfs/dbraw/zinc/93/11/90/767931190.db2.gz LLLOCRQYFJQKSS-ZETCQYMHSA-N -1 0 322.277 0.531 20 5 DCBDRM CN(C)S(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001117985598 766187210 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305.250 0.913 20 5 DCBDRM Cn1nc(C(=O)[O-])cc1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC001605538604 973728600 /nfs/dbraw/zinc/72/86/00/973728600.db2.gz BYEXKMRSXJSHFL-UHFFFAOYSA-N -1 0 304.262 0.957 20 5 DCBDRM NC(=O)c1cccc([N+](=O)[O-])c1N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC001605642685 974004896 /nfs/dbraw/zinc/00/48/96/974004896.db2.gz IUNBNUJYYSRIDT-XLKFXECMSA-N -1 0 321.289 0.231 20 5 DCBDRM O=C([O-])C1(O)CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000706462682 977330317 /nfs/dbraw/zinc/33/03/17/977330317.db2.gz AHMLCTAHVAWWFU-UHFFFAOYSA-N -1 0 300.654 0.520 20 5 DCBDRM C[C@H](C[NH2+]Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)C(=O)[O-] ZINC001592712688 979207771 /nfs/dbraw/zinc/20/77/71/979207771.db2.gz RNVSJTOJWUBQPC-MRVPVSSYSA-N -1 0 312.278 0.869 20 5 DCBDRM O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC001595177302 979776085 /nfs/dbraw/zinc/77/60/85/979776085.db2.gz GNYLXMQOQOXVRZ-SFYZADRCSA-N -1 0 315.307 0.521 20 5 DCBDRM C[C@@](NC(=O)Cc1ncc[nH]1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593043816 980329568 /nfs/dbraw/zinc/32/95/68/980329568.db2.gz IMDVVZOPDYGKCD-AWEZNQCLSA-N -1 0 318.289 0.977 20 5 DCBDRM C[C@@](NC(=O)Cn1cccn1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593050554 980342816 /nfs/dbraw/zinc/34/28/16/980342816.db2.gz MJGHPTXARNFTRA-AWEZNQCLSA-N -1 0 318.289 0.908 20 5 DCBDRM CCN1C[C@@H](NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC1=O ZINC001596397961 983949388 /nfs/dbraw/zinc/94/93/88/983949388.db2.gz QMUYPTBYALRNSC-JTQLQIEISA-N -1 0 321.289 0.644 20 5 DCBDRM CCOC(=O)C[C@@H](O)COc1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001596593736 984535552 /nfs/dbraw/zinc/53/55/52/984535552.db2.gz DCKMFOBSGXBDRI-SECBINFHSA-N -1 0 313.262 0.986 20 5 DCBDRM CC(=O)N1CC[C@H](CN(C)c2nccc(C(=O)[O-])c2[N+](=O)[O-])C1 ZINC001589062597 985185104 /nfs/dbraw/zinc/18/51/04/985185104.db2.gz AALIQLNSNALGMG-SNVBAGLBSA-N -1 0 322.321 0.993 20 5 DCBDRM C[C@H](C(=O)N1CC(O)(C(=O)[O-])C1)c1ccc([N+](=O)[O-])cc1F ZINC001589345933 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ZQQCQZZJMWMALX-UHFFFAOYSA-N -1 0 303.278 0.967 20 5 DCBDRM CCn1[n-]nnc1=NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC001661791284 1174157409 /nfs/dbraw/zinc/15/74/09/1174157409.db2.gz YGQHHGJBTGWHOY-UHFFFAOYSA-N -1 0 319.325 0.730 20 5 DCBDRM Cc1nc(Cl)nc(OC(=O)[C@H](O)CCC(=O)[O-])c1[N+](=O)[O-] ZINC001227335583 749223029 /nfs/dbraw/zinc/22/30/29/749223029.db2.gz VKDFNHHJEWXBQZ-RXMQYKEDSA-N -1 0 319.657 0.478 20 5 DCBDRM O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N1CC[C@@H](c2nnn[n-]2)C1 ZINC001175564081 769926942 /nfs/dbraw/zinc/92/69/42/769926942.db2.gz ZBBKTHGGGVWUTN-MWLCHTKSSA-N -1 0 318.293 0.157 20 5 DCBDRM Nc1[nH]c(=O)[nH]c(=O)c1Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001176673865 770150058 /nfs/dbraw/zinc/15/00/58/770150058.db2.gz AGBIEJUPLQCNGX-UHFFFAOYSA-N -1 0 307.222 0.820 20 5 DCBDRM COC[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1nnn[n-]1 ZINC001177828960 770552806 /nfs/dbraw/zinc/55/28/06/770552806.db2.gz TWESYPRFWBXFNX-SECBINFHSA-N -1 0 310.245 0.365 20 5 DCBDRM COC(=O)[C@H](CCO)Oc1nc(SC)[n-]c(=O)c1[N+](=O)[O-] ZINC001218218060 774216911 /nfs/dbraw/zinc/21/69/11/774216911.db2.gz SGXXEKJBNADTKQ-YFKPBYRVSA-N -1 0 319.295 0.115 20 5 DCBDRM CCOC(=O)[C@@H](Oc1[n-]c(=O)ncc1[N+](=O)[O-])C(F)(F)F ZINC001226336662 775802941 /nfs/dbraw/zinc/80/29/41/775802941.db2.gz RMKMDMPAOXXBNQ-RXMQYKEDSA-N -1 0 311.172 0.963 20 5 DCBDRM O=c1c([O-])c(O[C@H]2CCN(c3ccccc3[N+](=O)[O-])C2)c1=O ZINC001226608201 775846109 /nfs/dbraw/zinc/84/61/09/775846109.db2.gz YBZYDFLBWXBPLK-QMMMGPOBSA-N -1 0 304.258 0.554 20 5 DCBDRM O=c1cn[n-]c(O[C@@H]2COc3nc([N+](=O)[O-])cn3C2)c1Cl ZINC001228387366 776078124 /nfs/dbraw/zinc/07/81/24/776078124.db2.gz OMQPXZSYUGRFLB-YFKPBYRVSA-N -1 0 313.657 0.780 20 5 DCBDRM O=C([O-])c1ccc(S(=O)(=O)NCCCCO)cc1[N+](=O)[O-] ZINC001602397539 1169069151 /nfs/dbraw/zinc/06/91/51/1169069151.db2.gz BKRRQCLJWHERAJ-UHFFFAOYSA-N -1 0 318.307 0.344 20 5 DCBDRM O=C([O-])C1(O)CN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C1 ZINC001602623263 1169132470 /nfs/dbraw/zinc/13/24/70/1169132470.db2.gz SLWOPQCDCKMPDD-UHFFFAOYSA-N -1 0 318.644 0.659 20 5 DCBDRM COc1ccc(C(=O)[N-]S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC001317859499 945209937 /nfs/dbraw/zinc/20/99/37/945209937.db2.gz LKZQMKQHXUYKNP-UHFFFAOYSA-N -1 0 310.234 0.886 20 5 DCBDRM NS(=O)(=O)c1c(SCCC(=O)[O-])cccc1[N+](=O)[O-] ZINC001601195533 970952051 /nfs/dbraw/zinc/95/20/51/970952051.db2.gz UVBQEDHSWHONSF-UHFFFAOYSA-N -1 0 306.321 0.809 20 5 DCBDRM O=C([O-])[C@H]1CN(Cn2c(=O)oc3cccc([N+](=O)[O-])c32)CCO1 ZINC001601848747 971078093 /nfs/dbraw/zinc/07/80/93/971078093.db2.gz LSPMVASUAYAMJG-SNVBAGLBSA-N -1 0 323.261 0.246 20 5 DCBDRM O=C(NC[C@H](O)CN1CCCC1=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC001320679528 945975400 /nfs/dbraw/zinc/97/54/00/945975400.db2.gz OURMICXIILIWKT-JTQLQIEISA-N -1 0 323.305 0.014 20 5 DCBDRM O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]CCOP(=O)([O-])[O-])C2 ZINC001254574822 946410703 /nfs/dbraw/zinc/41/07/03/946410703.db2.gz LMBIICCZKWVBNJ-JTQLQIEISA-N -1 0 302.223 0.761 20 5 DCBDRM O=C(COCC1CC1)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001321736843 946444053 /nfs/dbraw/zinc/44/40/53/946444053.db2.gz REHDHJUEGCCBJQ-UHFFFAOYSA-N -1 0 314.319 0.826 20 5 DCBDRM Cn1cc(C[C@H](CO)NC(=O)c2cc([N+](=O)[O-])ccc2[O-])cn1 ZINC001299615436 946978501 /nfs/dbraw/zinc/97/85/01/946978501.db2.gz WECMZLBILLQNJF-SNVBAGLBSA-N -1 0 320.305 0.367 20 5 DCBDRM Cn1cc(C[C@@H](CO)NC(=O)c2cc([N+](=O)[O-])ccc2[O-])cn1 ZINC001299615431 946978911 /nfs/dbraw/zinc/97/89/11/946978911.db2.gz WECMZLBILLQNJF-JTQLQIEISA-N -1 0 320.305 0.367 20 5 DCBDRM CC/C=C(/C)C(=O)[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC001329030836 949299699 /nfs/dbraw/zinc/29/96/99/949299699.db2.gz BADDKBMYTGTQCN-ALCCZGGFSA-N -1 0 302.312 0.490 20 5 DCBDRM COC/C(C)=C\C(=O)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001329637726 949733026 /nfs/dbraw/zinc/73/30/26/949733026.db2.gz WGBQDXLMKLTRQN-TWGQIWQCSA-N -1 0 314.319 0.992 20 5 DCBDRM C[C@H](C(=O)[O-])N(C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)C1CC1 ZINC001602814388 971607572 /nfs/dbraw/zinc/60/75/72/971607572.db2.gz LLOZDNSAJXQFHM-MRVPVSSYSA-N -1 0 309.278 0.221 20 5 DCBDRM CCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC001589713839 950355912 /nfs/dbraw/zinc/35/59/12/950355912.db2.gz PKMCDFAONUWMFH-ZETCQYMHSA-N -1 0 303.296 0.474 20 5 DCBDRM CN(CC(=O)[O-])C(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000302289395 950565064 /nfs/dbraw/zinc/56/50/64/950565064.db2.gz WXIMNHLQOWEPPV-UHFFFAOYSA-N -1 0 318.083 0.909 20 5 DCBDRM O=C([O-])COCCOCCNc1ncc([N+](=O)[O-])cc1F ZINC001595116772 951946734 /nfs/dbraw/zinc/94/67/34/951946734.db2.gz QOEVSBXYOOJRET-UHFFFAOYSA-N -1 0 303.246 0.659 20 5 DCBDRM O=C([O-])c1cnc(N2CCN([C@@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC001336355935 952683470 /nfs/dbraw/zinc/68/34/70/952683470.db2.gz ZLEOIDZTIYZUCP-LLVKDONJSA-N -1 0 322.321 0.599 20 5 DCBDRM COC(=O)/C=C/[C@@H](C)[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC001475797236 953090825 /nfs/dbraw/zinc/09/08/25/953090825.db2.gz UZWRUXILOIFGEU-HQZHTGGTSA-N -1 0 315.307 0.386 20 5 DCBDRM O=C([O-])C1(CNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CCC1 ZINC001594739338 953362266 /nfs/dbraw/zinc/36/22/66/953362266.db2.gz XSMXYAWKHDDJTI-LLVKDONJSA-N -1 0 308.290 0.999 20 5 DCBDRM Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C(=O)CCC2CCC2)n1 ZINC001351532108 955325716 /nfs/dbraw/zinc/32/57/16/955325716.db2.gz NAJYYZFLUDTZFL-UHFFFAOYSA-N -1 0 316.339 0.714 20 5 DCBDRM Cn1nc(C(=O)[O-])cc1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC001594565486 955841697 /nfs/dbraw/zinc/84/16/97/955841697.db2.gz DSLYGBJLPQFECK-UHFFFAOYSA-N -1 0 318.289 0.999 20 5 DCBDRM Nc1c(C(=O)NCC(=O)[O-])cc(Br)cc1[N+](=O)[O-] ZINC001594659010 956515372 /nfs/dbraw/zinc/51/53/72/956515372.db2.gz GJXYMYUOBWHACO-UHFFFAOYSA-N -1 0 318.083 0.754 20 5 DCBDRM COCC[C@H](NC(=O)c1cc(F)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000052785118 957512678 /nfs/dbraw/zinc/51/26/78/957512678.db2.gz PJSGNZDDIXRSDX-VIFPVBQESA-N -1 0 300.242 0.953 20 5 DCBDRM CON(C(=O)c1cc([N+](=O)[O-])c(F)cc1N)[C@@H](C)C(=O)[O-] ZINC001594038339 957836914 /nfs/dbraw/zinc/83/69/14/957836914.db2.gz COZQYJLXJPMEDA-YFKPBYRVSA-N -1 0 301.230 0.793 20 5 DCBDRM Cc1cc(OCC(=O)N[C@@]2(C(=O)[O-])CCOC2)ccc1[N+](=O)[O-] ZINC001594328521 958195084 /nfs/dbraw/zinc/19/50/84/958195084.db2.gz PUJJXAHPPBETJB-AWEZNQCLSA-N -1 0 324.289 0.642 20 5 DCBDRM O=C([O-])C[C@@H](O)Cn1cc(Br)cc([N+](=O)[O-])c1=O ZINC000166878238 959323718 /nfs/dbraw/zinc/32/37/18/959323718.db2.gz IBIDGJBGEYQITK-ZCFIWIBFSA-N -1 0 321.083 0.355 20 5 DCBDRM COC(=O)CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)[O-] ZINC000168786216 959391753 /nfs/dbraw/zinc/39/17/53/959391753.db2.gz JAGNDLGGXNNDOH-ZCFIWIBFSA-N -1 0 300.223 0.324 20 5 DCBDRM Cc1nn(C)c(C(=O)Nc2cncc(C(=O)[O-])c2)c1[N+](=O)[O-] ZINC001594480043 959621766 /nfs/dbraw/zinc/62/17/66/959621766.db2.gz GQFSJWXHKXDFGR-UHFFFAOYSA-N -1 0 305.250 0.982 20 5 DCBDRM Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@](C)(O)C(=O)[O-] ZINC001594262327 959704694 /nfs/dbraw/zinc/70/46/94/959704694.db2.gz IDFOCKUPGGNGNP-LBPRGKRZSA-N -1 0 300.242 0.608 20 5 DCBDRM Cc1c(F)ccc([N+](=O)[O-])c1C(=O)OCC(=O)NCC(=O)[O-] ZINC001594262408 959707199 /nfs/dbraw/zinc/70/71/99/959707199.db2.gz KFQNTYMTXSFBFC-UHFFFAOYSA-N -1 0 314.225 0.400 20 5 DCBDRM CO[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])[C@](C)(CO)C1 ZINC001302366346 960022638 /nfs/dbraw/zinc/02/26/38/960022638.db2.gz BZWWQKORZRQAEK-HZMBPMFUSA-N -1 0 310.306 0.912 20 5 DCBDRM O=C(N[C@H](CO)C[C@H]1CCCO1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC001303690109 960061000 /nfs/dbraw/zinc/06/10/00/960061000.db2.gz KJRUVPZVVVQCSF-GXFFZTMASA-N -1 0 310.306 0.960 20 5 DCBDRM O=[N+]([O-])c1cc(S(=O)(=O)N2CCn3ccnc32)ccc1[O-] ZINC001309772449 960207200 /nfs/dbraw/zinc/20/72/00/960207200.db2.gz WASCDCITINWPLN-UHFFFAOYSA-N -1 0 310.291 0.706 20 5 DCBDRM Cn1ncc([N+](=O)[O-])c1C(=O)N[C@@H](Cc1ccncc1)C(=O)[O-] ZINC001605561651 973794704 /nfs/dbraw/zinc/79/47/04/973794704.db2.gz LNRUKTFBJZLEJS-VIFPVBQESA-N -1 0 319.277 0.149 20 5 DCBDRM C[C@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H](C(=O)[O-])O1 ZINC001599927920 985239416 /nfs/dbraw/zinc/23/94/16/985239416.db2.gz TXUVOQRSGFBCRU-BIMULSAOSA-N -1 0 310.306 0.802 20 5 DCBDRM CC(C)[C@H](CO)ONC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001590993905 991215479 /nfs/dbraw/zinc/21/54/79/991215479.db2.gz SQGKOETWTHGCNP-NSHDSACASA-N -1 0 312.278 0.971 20 5 DCBDRM C[S@@](=O)c1nncn1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001599779479 992346334 /nfs/dbraw/zinc/34/63/34/992346334.db2.gz KOKYLNLBWOIDHQ-OAQYLSRUSA-N -1 0 310.291 0.670 20 5 DCBDRM C[C@H](NC(=O)c1ccc(NC/C=C\CO)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001593171089 994029394 /nfs/dbraw/zinc/02/93/94/994029394.db2.gz RFTXTUNNOAZRCC-XADBCAIWSA-N -1 0 323.305 0.758 20 5 DCBDRM CNc1nccc(C(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)c1[N+](=O)[O-] ZINC001598682197 994946379 /nfs/dbraw/zinc/94/63/79/994946379.db2.gz ZFOYGOLGDOWGSV-VXNVDRBHSA-N -1 0 308.294 0.824 20 5 DCBDRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC001598694491 995115232 /nfs/dbraw/zinc/11/52/32/995115232.db2.gz ZMBUSWPGPRJARN-SECBINFHSA-N 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20 5 DCBDRM CCO[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001317897786 945214901 /nfs/dbraw/zinc/21/49/01/945214901.db2.gz RDXPYNZCOSSZHR-QWRGUYRKSA-N -1 0 314.319 0.825 20 5 DCBDRM COc1ccc([N+](=O)[O-])c(C(=O)[N-]S(=O)(=O)C(F)F)c1 ZINC001319969130 945705631 /nfs/dbraw/zinc/70/56/31/945705631.db2.gz WGNHYOPHLYVUJJ-UHFFFAOYSA-N -1 0 310.234 0.886 20 5 DCBDRM Cc1ccn(CC(=O)NCCNc2cc[nH]c(=O)c2[N+](=O)[O-])n1 ZINC001094129023 947779674 /nfs/dbraw/zinc/77/96/74/947779674.db2.gz NMPCKLLXOKSMNW-UHFFFAOYSA-N -1 0 320.309 0.429 20 5 DCBDRM CC(C)[C@@H](CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001326793447 948279851 /nfs/dbraw/zinc/27/98/51/948279851.db2.gz DHJAZGKTWNYQLM-SECBINFHSA-N -1 0 311.294 0.230 20 5 DCBDRM C[C@H]1CN(CCO)CCN1c1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC001327207034 948421918 /nfs/dbraw/zinc/42/19/18/948421918.db2.gz VIAHGAZMPSMTIB-VIFPVBQESA-N -1 0 310.310 0.191 20 5 DCBDRM O=C(C[C@H]1CCOC1)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC001328342088 948842519 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C[C@@H](CN(C)C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC001603149844 972245639 /nfs/dbraw/zinc/24/56/39/972245639.db2.gz HVFKTGVDGIMOMP-VIFPVBQESA-N -1 0 323.305 0.504 20 5 DCBDRM C[C@H](CNC(=O)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)C(=O)[O-] ZINC001346517782 958071301 /nfs/dbraw/zinc/07/13/01/958071301.db2.gz RKEACHAESGTGHN-MRVPVSSYSA-N -1 0 321.289 0.274 20 5 DCBDRM Cc1cccc([C@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)C(=O)[O-])c1 ZINC001594397688 958786216 /nfs/dbraw/zinc/78/62/16/958786216.db2.gz NBNGYRKUMJSZGF-NSHDSACASA-N -1 0 319.277 0.437 20 5 DCBDRM C[C@@H](CC(=O)[O-])NC(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001573575101 959321379 /nfs/dbraw/zinc/32/13/79/959321379.db2.gz SGSONGXMQKEPNV-QMMMGPOBSA-N -1 0 319.277 0.769 20 5 DCBDRM C[C@@](O)(CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1)C(=O)[O-] ZINC001603256511 972441616 /nfs/dbraw/zinc/44/16/16/972441616.db2.gz QTRFFUOCUJBANU-CQSZACIVSA-N -1 0 322.317 0.968 20 5 DCBDRM CO[C@@H]1CN(S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)CCO1 ZINC001309404141 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O=C([O-])[C@@H]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000261838897 304122242 /nfs/dbraw/zinc/12/22/42/304122242.db2.gz NRBJNGCQHWFYQN-MRVPVSSYSA-N -1 0 322.273 0.913 20 5 DCBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCN2C(=O)OCC[C@H]2C1 ZINC000495206752 241211355 /nfs/dbraw/zinc/21/13/55/241211355.db2.gz KGNQPPGVVPGBHG-JTQLQIEISA-N -1 0 321.289 0.967 20 5 DCBDRM O=C([O-])[C@@H](CC(F)F)NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000275286662 212249401 /nfs/dbraw/zinc/24/94/01/212249401.db2.gz OXJPDUTYKOMNFI-MRVPVSSYSA-N -1 0 324.261 0.982 20 5 DCBDRM O=C([O-])[C@@H]1C=C[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000092181409 193171048 /nfs/dbraw/zinc/17/10/48/193171048.db2.gz UNAFKSPAMCCVNJ-BDAKNGLRSA-N -1 0 312.303 0.902 20 5 DCBDRM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC(C(=O)[O-])C1 ZINC000275155495 212156396 /nfs/dbraw/zinc/15/63/96/212156396.db2.gz SSLZKQBTAJAOIP-UHFFFAOYSA-N -1 0 314.319 0.917 20 5 DCBDRM COCCCO[N-]C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000288396211 220130527 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DCBDRM O=C(NC1CCS(=O)(=O)CC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000225793045 395863460 /nfs/dbraw/zinc/86/34/60/395863460.db2.gz RSTCLKDBVMDYNH-UHFFFAOYSA-N -1 0 314.319 0.607 20 5 DCBDRM C[C@H](O)C[C@@H]1COCCN1C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000274720062 395970438 /nfs/dbraw/zinc/97/04/38/395970438.db2.gz AINARZPPKINCNT-JOYOIKCWSA-N -1 0 310.306 0.912 20 5 DCBDRM O=C(NCCCN1CCOC1=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000274856612 395982321 /nfs/dbraw/zinc/98/23/21/395982321.db2.gz IRCWXTKSMVCOEQ-UHFFFAOYSA-N -1 0 309.278 0.873 20 5 DCBDRM COc1cc([N+](=O)[O-])ccc1C(=O)N(C)C[C@H](C)c1nnn[n-]1 ZINC000277134867 396051617 /nfs/dbraw/zinc/05/16/17/396051617.db2.gz OTPIOCCXIMGVHO-QMMMGPOBSA-N -1 0 320.309 0.992 20 5 DCBDRM O=C([O-])[C@@]1(NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CCOC1 ZINC000262179871 396108171 /nfs/dbraw/zinc/10/81/71/396108171.db2.gz XLPLLHVRSDZUML-CYBMUJFWSA-N -1 0 320.261 0.445 20 5 DCBDRM Nc1c(C(=O)N[C@@]2(C(=O)[O-])CCSC2)cccc1[N+](=O)[O-] ZINC000262249911 396115169 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396705957 /nfs/dbraw/zinc/70/59/57/396705957.db2.gz NOXKYCHMXAWWPW-AWEZNQCLSA-N -1 0 324.289 0.724 20 5 DCBDRM CC(=O)NCCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000563182494 396711782 /nfs/dbraw/zinc/71/17/82/396711782.db2.gz DNCCVAXDLKEEHS-UHFFFAOYSA-N -1 0 301.686 0.820 20 5 DCBDRM O=C(NCc1nnnn1C1CC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000611557622 396886331 /nfs/dbraw/zinc/88/63/31/396886331.db2.gz JSJSEBKKQLAPCA-UHFFFAOYSA-N -1 0 304.266 0.552 20 5 DCBDRM CO[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cn2C)[C@](C)(C(=O)[O-])C1 ZINC000600871264 396959391 /nfs/dbraw/zinc/95/93/91/396959391.db2.gz CYGPSYNUWSIADD-RNCFNFMXSA-N -1 0 311.294 0.638 20 5 DCBDRM COC[C@@]1(C(=O)[O-])CCCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000591652914 396964398 /nfs/dbraw/zinc/96/43/98/396964398.db2.gz RTNIMHGZCCQATR-CQSZACIVSA-N -1 0 323.305 0.883 20 5 DCBDRM CC(C)(C(=O)NCc1nnn[n-]1)c1ccc([N+](=O)[O-])cc1F ZINC000613020035 397180223 /nfs/dbraw/zinc/18/02/23/397180223.db2.gz JXGHFTGJQLMEFO-UHFFFAOYSA-N -1 0 308.273 0.841 20 5 DCBDRM COC(=O)[C@H]1C[C@@H](O)CN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000592919117 397286880 /nfs/dbraw/zinc/28/68/80/397286880.db2.gz AZQUSSSBOPPJAR-VHSXEESVSA-N -1 0 324.289 0.296 20 5 DCBDRM O=C([O-])c1ccnc(NCc2nnnn2C2CC2)c1[N+](=O)[O-] ZINC000592976930 397308594 /nfs/dbraw/zinc/30/85/94/397308594.db2.gz LFXPEYOYMPAANH-UHFFFAOYSA-N -1 0 305.254 0.622 20 5 DCBDRM O=C([O-])c1cn([C@@H]2CCN(c3ccc([N+](=O)[O-])nc3)C2)nn1 ZINC000577483840 397335033 /nfs/dbraw/zinc/33/50/33/397335033.db2.gz AOUCCJUJEKHJRQ-SECBINFHSA-N -1 0 304.266 0.731 20 5 DCBDRM CCN1C[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC1=O ZINC000593825557 397450364 /nfs/dbraw/zinc/45/03/64/397450364.db2.gz IQFBGOULEJKXSO-SECBINFHSA-N -1 0 307.306 0.899 20 5 DCBDRM CO[C@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1)CC(=O)[O-] ZINC000232107954 287064559 /nfs/dbraw/zinc/06/45/59/287064559.db2.gz HGBQBVOEBUMTTJ-VIFPVBQESA-N -1 0 318.307 0.363 20 5 DCBDRM O=C(Cc1nc2ncccn2n1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000356289683 287201337 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C[C@@H](C(=O)[O-])N(C)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000262384356 416336689 /nfs/dbraw/zinc/33/66/89/416336689.db2.gz HKZXRPLOAMSGHJ-VIFPVBQESA-N -1 0 316.335 0.872 20 5 DCBDRM COC[C@@](C)(CC(=O)[O-])NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000262937482 416337076 /nfs/dbraw/zinc/33/70/76/416337076.db2.gz KWXSRUMSJHAPKD-CYBMUJFWSA-N -1 0 311.294 0.908 20 5 DCBDRM O=C([O-])[C@H](Cc1ccccc1)NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000237992520 416329638 /nfs/dbraw/zinc/32/96/38/416329638.db2.gz MVYGXYLFMLBXDP-NSHDSACASA-N -1 0 318.289 0.603 20 5 DCBDRM COC(=O)Cn1ncc([N-]c2ncc([N+](=O)[O-])c(N)n2)c1C ZINC000359997203 416367779 /nfs/dbraw/zinc/36/77/79/416367779.db2.gz ZUZNESMEQYPELE-UHFFFAOYSA-N -1 0 307.270 0.389 20 5 DCBDRM CCC[C@H](O)[C@@H](CO)[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC000419803136 416413274 /nfs/dbraw/zinc/41/32/74/416413274.db2.gz BUCICBRHFIVJKS-PWSUYJOCSA-N -1 0 314.338 0.921 20 5 DCBDRM O=C(Nc1n[nH]c2[nH]c(=O)ccc12)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000590389247 416526766 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DCBDRM NS(=O)(=O)c1ccc(NC(=O)CCC(=O)[O-])c([N+](=O)[O-])c1 ZINC000338189658 252927672 /nfs/dbraw/zinc/92/76/72/252927672.db2.gz NWCLNFDRQIWHHJ-UHFFFAOYSA-N -1 0 317.279 0.046 20 5 DCBDRM CCn1cc(S(=O)(=O)[N-][C@@H]2CCC[C@H]2F)c([N+](=O)[O-])n1 ZINC000339121765 253033166 /nfs/dbraw/zinc/03/31/66/253033166.db2.gz XYMINMLTVZMYQU-HTQZYQBOSA-N -1 0 306.319 0.980 20 5 DCBDRM CSc1ccc([N+](=O)[O-])c(C(=O)[N-]N2CC(=O)N(C)C2=O)c1 ZINC000271291377 208784230 /nfs/dbraw/zinc/78/42/30/208784230.db2.gz MEGGTDLCLOAQSR-UHFFFAOYSA-N -1 0 324.318 0.856 20 5 DCBDRM COc1ccc([N+](=O)[O-])c(C(=O)NC2(c3nnn[n-]3)CC2)c1 ZINC000348294592 254230328 /nfs/dbraw/zinc/23/03/28/254230328.db2.gz ROLDGZMSZZNCPQ-UHFFFAOYSA-N -1 0 304.266 0.536 20 5 DCBDRM C[C@@H](O)[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC000043474570 395752933 /nfs/dbraw/zinc/75/29/33/395752933.db2.gz WLWKRQZQZGGILD-MLUIRONXSA-N -1 0 301.230 0.689 20 5 DCBDRM COC(=O)C1(O)CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC1 ZINC000271269581 395853279 /nfs/dbraw/zinc/85/32/79/395853279.db2.gz JHZFHHHDXSDNHU-UHFFFAOYSA-N -1 0 324.289 0.441 20 5 DCBDRM O=C(NC1CCS(=O)(=O)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000271309119 395857404 /nfs/dbraw/zinc/85/74/04/395857404.db2.gz VCJOYVHHLDANHE-UHFFFAOYSA-N -1 0 314.319 0.607 20 5 DCBDRM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H](C)C(=O)[O-] ZINC000054053292 395892536 /nfs/dbraw/zinc/89/25/36/395892536.db2.gz GMHMPDYHPLYKIB-SSDOTTSWSA-N -1 0 318.307 0.697 20 5 DCBDRM C[C@@H](C(=O)[O-])N(C)c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000054054947 395893248 /nfs/dbraw/zinc/89/32/48/395893248.db2.gz APSCGSHHGUHIAJ-LURJTMIESA-N -1 0 303.296 0.152 20 5 DCBDRM COC(=O)CSCCNC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000272473593 395893704 /nfs/dbraw/zinc/89/37/04/395893704.db2.gz ZNQASEMKOHNYOE-UHFFFAOYSA-N -1 0 314.319 0.936 20 5 DCBDRM COCCN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1=O ZINC000274775287 395975594 /nfs/dbraw/zinc/97/55/94/395975594.db2.gz ISKVXUMIWOTMKJ-UHFFFAOYSA-N -1 0 323.305 0.231 20 5 DCBDRM C[C@H]([N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(=O)N(C)C ZINC000277104169 396049758 /nfs/dbraw/zinc/04/97/58/396049758.db2.gz SYEMDQMWOOBZJL-ZETCQYMHSA-N -1 0 319.314 0.489 20 5 DCBDRM O=C([O-])[C@@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000262026416 396091453 /nfs/dbraw/zinc/09/14/53/396091453.db2.gz YIBRKADTHGUAMQ-NSHDSACASA-N -1 0 310.262 0.286 20 5 DCBDRM O=C([O-])[C@@H]1COCCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000262359912 396130366 /nfs/dbraw/zinc/13/03/66/396130366.db2.gz WINBFFDZRZMNPW-JTQLQIEISA-N -1 0 310.262 0.286 20 5 DCBDRM Cc1ccc(C)c(S(=O)(=O)N[C@H](C)C(=O)[O-])c1[N+](=O)[O-] ZINC000262422226 396138029 /nfs/dbraw/zinc/13/80/29/396138029.db2.gz VBIOBJTZGJJREU-MRVPVSSYSA-N -1 0 302.308 0.963 20 5 DCBDRM Cc1nc([N-]S(=O)(=O)[C@H](C)C(=O)N(C)C)ccc1[N+](=O)[O-] ZINC000278672376 396138657 /nfs/dbraw/zinc/13/86/57/396138657.db2.gz XXGWLDYVKSWKEF-MRVPVSSYSA-N -1 0 316.339 0.517 20 5 DCBDRM CC(C)[C@H](NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)C(N)=O ZINC000262470160 396143838 /nfs/dbraw/zinc/14/38/38/396143838.db2.gz ZTQCAJRDPMKRHD-JTQLQIEISA-N -1 0 309.278 0.533 20 5 DCBDRM C[C@H](NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000262557788 396154908 /nfs/dbraw/zinc/15/49/08/396154908.db2.gz XFDQYRTXXAVEIE-QMMMGPOBSA-N -1 0 309.278 0.304 20 5 DCBDRM COc1cc(OCC(=O)NCCCC(=O)[O-])ccc1[N+](=O)[O-] ZINC000262672205 396170877 /nfs/dbraw/zinc/17/08/77/396170877.db2.gz XMMKLXHVVBPZGX-UHFFFAOYSA-N -1 0 312.278 0.963 20 5 DCBDRM CC[C@@H](NC(=O)COc1ccc([N+](=O)[O-])c(OC)c1)C(=O)[O-] ZINC000262933697 396193154 /nfs/dbraw/zinc/19/31/54/396193154.db2.gz GQBAYRPSBKRPPX-SECBINFHSA-N -1 0 312.278 0.962 20 5 DCBDRM C[C@@H](CC(=O)[O-])NC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000263073574 396200438 /nfs/dbraw/zinc/20/04/38/396200438.db2.gz ZZANAOSOVOYLPQ-IUCAKERBSA-N -1 0 323.305 0.693 20 5 DCBDRM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000263130219 396202766 /nfs/dbraw/zinc/20/27/66/396202766.db2.gz FXBQKMSNUKHGFZ-UWVGGRQHSA-N -1 0 323.305 0.468 20 5 DCBDRM CNC(=O)[C@@]1(C)CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000281458116 396234694 /nfs/dbraw/zinc/23/46/94/396234694.db2.gz BTXRLQJCURFYGJ-AWEZNQCLSA-N -1 0 307.306 0.899 20 5 DCBDRM COC(=O)[C@H](C)[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000264178491 396259909 /nfs/dbraw/zinc/25/99/09/396259909.db2.gz YAJBLPCJYNIRHJ-LURJTMIESA-N -1 0 306.271 0.574 20 5 DCBDRM COCCN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1 ZINC000186219588 396345506 /nfs/dbraw/zinc/34/55/06/396345506.db2.gz ONWGUMSDTMBXQQ-UHFFFAOYSA-N -1 0 309.322 0.705 20 5 DCBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CC[C@@H](n2cncn2)C1 ZINC000372470512 396520510 /nfs/dbraw/zinc/52/05/10/396520510.db2.gz DBUVWIIXCJHRJC-SNVBAGLBSA-N -1 0 303.278 0.979 20 5 DCBDRM O=C(NCCCn1cccnc1=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000560536747 396619748 /nfs/dbraw/zinc/61/97/48/396619748.db2.gz MEWLRDKNCRFIQK-UHFFFAOYSA-N -1 0 318.289 0.677 20 5 DCBDRM CN(Cc1n[n-]c(=O)o1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000595548713 396628767 /nfs/dbraw/zinc/62/87/67/396628767.db2.gz YIHHONMXMCOZIG-SECBINFHSA-N -1 0 324.293 0.555 20 5 DCBDRM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000562740711 396676854 /nfs/dbraw/zinc/67/68/54/396676854.db2.gz AQTTXOQHSNRVNZ-OCAPTIKFSA-N -1 0 322.273 0.959 20 5 DCBDRM O=C(N[C@H](c1nnn[n-]1)c1ccccc1)c1cc([N+](=O)[O-])n[nH]1 ZINC000588304688 396684333 /nfs/dbraw/zinc/68/43/33/396684333.db2.gz SLKFULCVTHVNTI-JTQLQIEISA-N -1 0 314.265 0.350 20 5 DCBDRM COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@H]1C(=O)[O-] ZINC000589682662 396721415 /nfs/dbraw/zinc/72/14/15/396721415.db2.gz FRARSNQHQKFRQA-MRVPVSSYSA-N -1 0 316.291 0.451 20 5 DCBDRM CSCC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])C(N)=O ZINC000600260582 396777545 /nfs/dbraw/zinc/77/75/45/396777545.db2.gz ZTFHOQGIVAMTAC-VIFPVBQESA-N -1 0 313.335 0.637 20 5 DCBDRM C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCO[C@H](C(=O)[O-])C1 ZINC000610896945 396778434 /nfs/dbraw/zinc/77/84/34/396778434.db2.gz HYFJUZUNZVJAGG-CABZTGNLSA-N -1 0 323.305 0.707 20 5 DCBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1C[C@H](O)[C@@H](O)C1 ZINC000600216918 396759553 /nfs/dbraw/zinc/75/95/53/396759553.db2.gz ICPSLFKSYGUSMF-IUCAKERBSA-N -1 0 302.670 0.131 20 5 DCBDRM CC(C)(C)[C@H](NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C(=O)[O-] ZINC000610845546 396771628 /nfs/dbraw/zinc/77/16/28/396771628.db2.gz WITMYGGDUCYAJG-LLVKDONJSA-N -1 0 311.294 0.372 20 5 DCBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]CC1(O)CCC1 ZINC000313688286 396772872 /nfs/dbraw/zinc/77/28/72/396772872.db2.gz QMKACXPSJULYMO-UHFFFAOYSA-N -1 0 304.299 0.927 20 5 DCBDRM O=C([O-])[C@@H]1CCCCN1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000611559289 396886106 /nfs/dbraw/zinc/88/61/06/396886106.db2.gz YDDAYLONPGUMCW-JTQLQIEISA-N -1 0 311.298 0.440 20 5 DCBDRM Nc1c(C(=O)N[C@@H](C(=O)[O-])C2CCOCC2)cccc1[N+](=O)[O-] ZINC000597161510 396903290 /nfs/dbraw/zinc/90/32/90/396903290.db2.gz MBMPKGAXQHOSSC-GFCCVEGCSA-N -1 0 323.305 0.787 20 5 DCBDRM COc1ccc(C(=O)N2CC[C@@](OC)(C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000600870580 396959047 /nfs/dbraw/zinc/95/90/47/396959047.db2.gz UVUTVUGXJUSVJP-AWEZNQCLSA-N -1 0 324.289 0.919 20 5 DCBDRM COc1cc(C(=O)N2CC[C@](OC)(C(=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000600870353 396959701 /nfs/dbraw/zinc/95/97/01/396959701.db2.gz STHGKYSEEPUECE-CQSZACIVSA-N -1 0 324.289 0.919 20 5 DCBDRM CC[C@H](NC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1)C(=O)[O-] ZINC000592381047 397163437 /nfs/dbraw/zinc/16/34/37/397163437.db2.gz ZDQPHPFLPCJKED-JTQLQIEISA-N -1 0 310.262 0.974 20 5 DCBDRM CC[C@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C)C(=O)[O-] ZINC000592427032 397172305 /nfs/dbraw/zinc/17/23/05/397172305.db2.gz XQNLDJJDIKPPCJ-QMMMGPOBSA-N -1 0 309.278 0.821 20 5 DCBDRM O=C([O-])[C@@H]1CCCCCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000598659553 397268924 /nfs/dbraw/zinc/26/89/24/397268924.db2.gz VYYWSWFIABEPPV-NSHDSACASA-N -1 0 323.305 0.612 20 5 DCBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCO[C@@]3(CCOC3)C2)n1 ZINC000592974930 397308233 /nfs/dbraw/zinc/30/82/33/397308233.db2.gz DZZVEGSXJDVZSU-AWEZNQCLSA-N -1 0 323.305 0.992 20 5 DCBDRM O=C([O-])c1cnc(NCC2(CO)CCOCC2)c([N+](=O)[O-])c1 ZINC000592971164 397308831 /nfs/dbraw/zinc/30/88/31/397308831.db2.gz ACDOPAGIQOTYQY-UHFFFAOYSA-N -1 0 311.294 0.889 20 5 DCBDRM O=C(NCCN1C[C@H]2CC[C@@H](C1)O2)c1ccc([N+](=O)[O-])cc1[O-] ZINC000456202299 397424137 /nfs/dbraw/zinc/42/41/37/397424137.db2.gz JVGSXQITEGDTEC-TXEJJXNPSA-N -1 0 321.333 0.893 20 5 DCBDRM CNc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000593701012 397429103 /nfs/dbraw/zinc/42/91/03/397429103.db2.gz YBAPWALBVFGMAY-PRHODGIISA-N -1 0 323.305 0.951 20 5 DCBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCOC[C@H]1c1ncon1 ZINC000370376065 397475931 /nfs/dbraw/zinc/47/59/31/397475931.db2.gz ZKGTXAJSJUIPTQ-JTQLQIEISA-N -1 0 320.261 0.897 20 5 DCBDRM Cn1nnc2c1CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])C2 ZINC000594403413 397543615 /nfs/dbraw/zinc/54/36/15/397543615.db2.gz XWAAYFKJAJKAMQ-MRVPVSSYSA-N -1 0 317.305 0.716 20 5 DCBDRM C[S@@](=O)C1(C(=O)[O-])CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000579964823 397601224 /nfs/dbraw/zinc/60/12/24/397601224.db2.gz VMWXEEMAOLSKRM-OAQYLSRUSA-N -1 0 313.335 0.792 20 5 DCBDRM C[C@@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1nncn1C ZINC000610212295 397806094 /nfs/dbraw/zinc/80/60/94/397806094.db2.gz FFFZZHKIVQQBTL-SSDOTTSWSA-N -1 0 312.311 0.158 20 5 DCBDRM CCOc1ccc(C(=O)NC[C@@H](OC)C(=O)[O-])cc1[N+](=O)[O-] ZINC000263067168 286561121 /nfs/dbraw/zinc/56/11/21/286561121.db2.gz IXEYVUQQFIBOGJ-LLVKDONJSA-N -1 0 312.278 0.823 20 5 DCBDRM C[C@](O)(CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C(=O)[O-] ZINC000165234356 158364748 /nfs/dbraw/zinc/36/47/48/158364748.db2.gz DDGBPEYGLJRIHV-NSHDSACASA-N -1 0 302.670 0.814 20 5 DCBDRM Cn1cc(C(N)=O)cc1C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000166079129 158366161 /nfs/dbraw/zinc/36/61/61/158366161.db2.gz MXQNTUNXRBBKDR-UHFFFAOYSA-N -1 0 304.262 0.990 20 5 DCBDRM O=C([O-])C1(CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000166999790 158366902 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ZINC001601147293 1168601640 /nfs/dbraw/zinc/60/16/40/1168601640.db2.gz CMJHYABYMDHRJH-MRVPVSSYSA-N -1 0 308.294 0.780 20 5 DCBDRM NC(=O)c1cc(NC[C@H]2CCO[C@H]2C(=O)[O-])ccc1[N+](=O)[O-] ZINC001601162407 1168614113 /nfs/dbraw/zinc/61/41/13/1168614113.db2.gz TWKGYRKFEUNCDH-RDDDGLTNSA-N -1 0 309.278 0.595 20 5 DCBDRM NC(=O)c1cc(N2CCC(O)(C(=O)[O-])CC2)ccc1[N+](=O)[O-] ZINC001601161850 1168614123 /nfs/dbraw/zinc/61/41/23/1168614123.db2.gz OOWRPVVLRFLHFP-UHFFFAOYSA-N -1 0 309.278 0.110 20 5 DCBDRM Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC001601216993 1168661720 /nfs/dbraw/zinc/66/17/20/1168661720.db2.gz ZANFNPVZLSTZOR-SECBINFHSA-N -1 0 309.278 0.493 20 5 DCBDRM Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCSC[C@@H]1C(=O)[O-] ZINC001601216777 1168662372 /nfs/dbraw/zinc/66/23/72/1168662372.db2.gz QDCADWRXLHPCNB-SNVBAGLBSA-N -1 0 311.319 0.819 20 5 DCBDRM O=C([O-])C1(NC(=O)CCc2cccc([N+](=O)[O-])c2)CC(CO)C1 ZINC001601290243 1168691138 /nfs/dbraw/zinc/69/11/38/1168691138.db2.gz MGSUPGBVALSUHS-UHFFFAOYSA-N -1 0 322.317 0.869 20 5 DCBDRM O=C([O-])[C@@H](O)CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC001601361601 1168720608 /nfs/dbraw/zinc/72/06/08/1168720608.db2.gz NUUGDPYEPXOFDP-VIFPVBQESA-N -1 0 302.670 0.352 20 5 DCBDRM O=C([O-])c1nn(CC(=O)NC(C2CC2)C2CC2)cc1[N+](=O)[O-] ZINC001601383597 1168728112 /nfs/dbraw/zinc/72/81/12/1168728112.db2.gz YBGHXOGAFNCCMP-UHFFFAOYSA-N -1 0 308.294 0.794 20 5 DCBDRM O=C([O-])C1(O)CN(C(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC001601723256 1168832772 /nfs/dbraw/zinc/83/27/72/1168832772.db2.gz ZCJQIKKEKMMSQN-UHFFFAOYSA-N -1 0 320.301 0.674 20 5 DCBDRM O=C([O-])C1=NO[C@@H](Cn2cc(Cl)cc([N+](=O)[O-])c2=O)C1 ZINC001601739611 1168842647 /nfs/dbraw/zinc/84/26/47/1168842647.db2.gz LFUXJURWDPFFMY-ZCFIWIBFSA-N -1 0 301.642 0.639 20 5 DCBDRM O=C([O-])[C@@H]1[C@@H](O)CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC001601758851 1168856653 /nfs/dbraw/zinc/85/66/53/1168856653.db2.gz VPDQHOBFVIGPMW-RCOVLWMOSA-N -1 0 300.292 0.706 20 5 DCBDRM O=C([O-])C[C@H](O)CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001601910045 1168930919 /nfs/dbraw/zinc/93/09/19/1168930919.db2.gz GHODXLCETPAYRW-QMMMGPOBSA-N -1 0 307.262 0.642 20 5 DCBDRM O=C([O-])CC1(CNC(=O)Cn2ccc([N+](=O)[O-])n2)CCCC1 ZINC001601918062 1168934734 /nfs/dbraw/zinc/93/47/34/1168934734.db2.gz ZDPKLUUAEFTZHX-UHFFFAOYSA-N -1 0 310.310 0.943 20 5 DCBDRM O=C([O-])C[C@@H]1C(=O)NCCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC001601939572 1168941535 /nfs/dbraw/zinc/94/15/35/1168941535.db2.gz OOSBVGHFEDKJTM-GFCCVEGCSA-N -1 0 323.305 0.249 20 5 DCBDRM O=C([O-])C[C@H]1CN(c2cc(F)c([N+](=O)[O-])cc2CO)CCO1 ZINC001601962754 1168949902 /nfs/dbraw/zinc/94/99/02/1168949902.db2.gz VXTMWMXMUJHKLO-VIFPVBQESA-N -1 0 314.269 0.906 20 5 DCBDRM O=C([O-])CN(CCC(F)(F)F)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC001602054116 1168977123 /nfs/dbraw/zinc/97/71/23/1168977123.db2.gz CDRVHPYPZSCCHT-UHFFFAOYSA-N -1 0 324.215 0.657 20 5 DCBDRM O=C([O-])CNC(=O)CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC001602070941 1168987297 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C[C@](CO)(NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC001604193715 1169520202 /nfs/dbraw/zinc/52/02/02/1169520202.db2.gz YPABCZSZCVAJIG-MISXGVKJSA-N -1 0 308.290 0.650 20 5 DCBDRM COC(=O)C1(C)CN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC001606347685 1170166544 /nfs/dbraw/zinc/16/65/44/1170166544.db2.gz KJAPSGFEIDJBAN-UHFFFAOYSA-N -1 0 322.273 0.928 20 5 DCBDRM COC(=O)[C@@H]1C[C@H](O)CN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001606378623 1170174961 /nfs/dbraw/zinc/17/49/61/1170174961.db2.gz SRYRAHBBZFJEQR-ZJUUUORDSA-N -1 0 324.289 0.653 20 5 DCBDRM COC(=O)[C@@H]1OCC[C@@H]1NCc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001606514293 1170225833 /nfs/dbraw/zinc/22/58/33/1170225833.db2.gz IZXCEUILTRJVNN-CMPLNLGQSA-N -1 0 324.289 0.713 20 5 DCBDRM COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@](O)(C(=O)[O-])C2)c1 ZINC001606605721 1170242533 /nfs/dbraw/zinc/24/25/33/1170242533.db2.gz LWTLIPIIJAXUNK-ZDUSSCGKSA-N -1 0 310.262 0.407 20 5 DCBDRM 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CN(Cc1nncn1C)c1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC001610126283 1171164771 /nfs/dbraw/zinc/16/47/71/1171164771.db2.gz PFBGGTZJWMEPHY-UHFFFAOYSA-N -1 0 305.294 0.987 20 5 DCBDRM COC(=O)CCCNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001610182756 1171190171 /nfs/dbraw/zinc/19/01/71/1171190171.db2.gz AWUHFAAGVQRXDR-UHFFFAOYSA-N -1 0 310.262 0.976 20 5 DCBDRM COC(=O)NC1CN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001610187728 1171191284 /nfs/dbraw/zinc/19/12/84/1171191284.db2.gz MBHJYNXCSAHZIU-UHFFFAOYSA-N -1 0 309.278 0.767 20 5 DCBDRM COC(=O)CN(CC(=O)[O-])C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001610185174 1171191569 /nfs/dbraw/zinc/19/15/69/1171191569.db2.gz MUNWGSBWICYDKH-LLVKDONJSA-N -1 0 312.278 0.188 20 5 DCBDRM Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H](CC(F)F)C(=O)[O-] ZINC001610559704 1171253865 /nfs/dbraw/zinc/25/38/65/1171253865.db2.gz SXKMQCGBPGRIIB-ZETCQYMHSA-N -1 0 320.252 0.714 20 5 DCBDRM Cc1nn(CC(=O)NCCC(=O)[O-])c2ccc([N+](=O)[O-])cc12 ZINC001610572466 1171257609 /nfs/dbraw/zinc/25/76/09/1171257609.db2.gz ZQZGANSDSQQFSJ-UHFFFAOYSA-N -1 0 306.278 0.844 20 5 DCBDRM Cn1cnc(CNCc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)n1 ZINC001610611549 1171267572 /nfs/dbraw/zinc/26/75/72/1171267572.db2.gz XISBYGVIOYMZTN-UHFFFAOYSA-N -1 0 321.293 0.477 20 5 DCBDRM O=C([O-])c1cc(C(=O)N[C@@]2(CO)CCOC2)cc([N+](=O)[O-])c1 ZINC001610809659 1171332572 /nfs/dbraw/zinc/33/25/72/1171332572.db2.gz RIXLFGQPUUFXLT-CYBMUJFWSA-N -1 0 310.262 0.174 20 5 DCBDRM O=C(NCc1nc2ncccn2n1)c1cc([N+](=O)[O-])ccc1[O-] ZINC001638235171 1171793731 /nfs/dbraw/zinc/79/37/31/1171793731.db2.gz VZQVCNKSFFLGNT-UHFFFAOYSA-N -1 0 314.261 0.668 20 5 DCBDRM O=C(NCc1nc([O-])cc(=O)[nH]1)c1c(F)cccc1[N+](=O)[O-] ZINC001647868642 1173060076 /nfs/dbraw/zinc/06/00/76/1173060076.db2.gz UOYQFPOIBSFXTH-UHFFFAOYSA-N -1 0 308.225 0.865 20 5 DCBDRM CO[N-]C(=O)CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC001648139344 1173067109 /nfs/dbraw/zinc/06/71/09/1173067109.db2.gz YVOCDJXGFOWLDF-UHFFFAOYSA-N -1 0 309.278 0.352 20 5 DCBDRM COC(=O)[C@@]1(O)CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC001650955158 1173736797 /nfs/dbraw/zinc/73/67/97/1173736797.db2.gz RHNNYQZKUOUCEJ-CYBMUJFWSA-N -1 0 310.262 0.050 20 5 DCBDRM Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCC2CSC2)n1 ZINC001672251369 1175092820 /nfs/dbraw/zinc/09/28/20/1175092820.db2.gz CPWHHWMAECTURL-UHFFFAOYSA-N -1 0 306.369 0.360 20 5 DCBDRM O=c1cc(CNc2ncnc(N3CCOCC3)c2[N+](=O)[O-])o[n-]1 ZINC001169481102 760687652 /nfs/dbraw/zinc/68/76/52/760687652.db2.gz DEGJSTIXHBFMIM-UHFFFAOYSA-N -1 0 322.281 0.527 20 5 DCBDRM O=C([O-])CC[C@@H](O)C(=O)Oc1ncnc2cccc([N+](=O)[O-])c21 ZINC001231053141 769157796 /nfs/dbraw/zinc/15/77/96/769157796.db2.gz JOYJCGLNNAUECC-SECBINFHSA-N -1 0 321.245 0.669 20 5 DCBDRM CN1CCO[C@@H](COc2cc([O-])c([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001231223639 769198732 /nfs/dbraw/zinc/19/87/32/769198732.db2.gz IPARJUCKKDRYFM-MRVPVSSYSA-N -1 0 313.266 0.918 20 5 DCBDRM Cc1ncc([N+](=O)[O-])n1C[C@@H](C)Oc1[nH]c(=O)nc2cn[n-]c21 ZINC001233939518 769503503 /nfs/dbraw/zinc/50/35/03/769503503.db2.gz KIZLXVYDBPBRGL-ZCFIWIBFSA-N -1 0 319.281 0.527 20 5 DCBDRM COC(=O)c1ccc(OC(=O)[C@@H](O)CC(=O)[O-])cc1[N+](=O)[O-] ZINC001234050410 769537459 /nfs/dbraw/zinc/53/74/59/769537459.db2.gz KREDYUYQXXUPJB-VIFPVBQESA-N -1 0 313.218 0.122 20 5 DCBDRM CC(C)CN(Cc1nnn[n-]1)C(=O)c1cc([N+](=O)[O-])cn1C ZINC001176593941 770123279 /nfs/dbraw/zinc/12/32/79/770123279.db2.gz KXNSXTVTJBGGQQ-UHFFFAOYSA-N -1 0 307.314 0.745 20 5 DCBDRM O=C([O-])c1ccc(N[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000163928649 771901443 /nfs/dbraw/zinc/90/14/43/771901443.db2.gz WXDZDWMMVBXKJX-MRVPVSSYSA-N -1 0 300.292 0.892 20 5 DCBDRM O=C(Nc1ccc(=O)n(CCO)c1)c1ccc([N+](=O)[O-])cc1[O-] ZINC001162879827 772429035 /nfs/dbraw/zinc/42/90/35/772429035.db2.gz JGHKIVFWDCPHAX-UHFFFAOYSA-N -1 0 319.273 0.707 20 5 DCBDRM CCOC(=O)c1[n-]c(=O)nc(OC[C@@H]2CCCO2)c1[N+](=O)[O-] ZINC001226016590 775755501 /nfs/dbraw/zinc/75/55/01/775755501.db2.gz ACKKGVATXIXSPJ-ZETCQYMHSA-N -1 0 313.266 0.825 20 5 DCBDRM CCOC(=O)c1[n-]c(=O)nc(OC[C@@H]2COCO2)c1[N+](=O)[O-] ZINC001226020876 775756388 /nfs/dbraw/zinc/75/63/88/775756388.db2.gz MKLOSYJNPFATME-LURJTMIESA-N -1 0 315.238 0.019 20 5 DCBDRM CSc1nc(OC[C@@H]2CCC(=O)O2)c([N+](=O)[O-])c(=O)[n-]1 ZINC001227625250 775991454 /nfs/dbraw/zinc/99/14/54/775991454.db2.gz UGLTYSOEDSIBEL-YFKPBYRVSA-N -1 0 301.280 0.897 20 5 DCBDRM COC(=O)c1c(OC(=O)[C@@H](O)CC(=O)[O-])cccc1[N+](=O)[O-] ZINC001229046974 776152592 /nfs/dbraw/zinc/15/25/92/776152592.db2.gz WHBPTVXUHXMKLX-ZETCQYMHSA-N -1 0 313.218 0.122 20 5 DCBDRM CC(=O)Nc1ccc([N+](=O)[O-])cc1OC(=O)[C@@H](O)CC(=O)[O-] ZINC001230246901 776269167 /nfs/dbraw/zinc/26/91/67/776269167.db2.gz YAQDAQJGKJREFM-VIFPVBQESA-N -1 0 312.234 0.294 20 5 DCBDRM CCN(CC)S(=O)(=O)[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC001318108168 945265158 /nfs/dbraw/zinc/26/51/58/945265158.db2.gz YSHKYWIFAMGCOO-UHFFFAOYSA-N -1 0 301.324 0.911 20 5 DCBDRM CCN(CC)S(=O)(=O)[N-]C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC001318465960 945373632 /nfs/dbraw/zinc/37/36/32/945373632.db2.gz UEGRPUDVMYDSBN-UHFFFAOYSA-N -1 0 316.339 0.493 20 5 DCBDRM NC(=O)COC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1 ZINC001320682259 945974188 /nfs/dbraw/zinc/97/41/88/945974188.db2.gz PBBLZCONNSRGSF-UHFFFAOYSA-N -1 0 323.305 0.407 20 5 DCBDRM O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)[N-]OCc1cccnc1 ZINC001324269529 947372637 /nfs/dbraw/zinc/37/26/37/947372637.db2.gz BQWNIQBLJLIBJL-UHFFFAOYSA-N -1 0 304.262 0.400 20 5 DCBDRM C/C(=C/C(=O)OCC(=O)NCC(=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC001602736287 971423347 /nfs/dbraw/zinc/42/33/47/971423347.db2.gz OQLMBHZXMHBBGX-TWGQIWQCSA-N -1 0 322.273 0.742 20 5 DCBDRM C/C(=C\C(=O)OCC(=O)NCC(=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC001602736286 971423354 /nfs/dbraw/zinc/42/33/54/971423354.db2.gz OQLMBHZXMHBBGX-RMKNXTFCSA-N -1 0 322.273 0.742 20 5 DCBDRM CO[C@H]1CC[C@H]([N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC001330136527 950140365 /nfs/dbraw/zinc/14/03/65/950140365.db2.gz PBORINJGUOKVPO-IUCAKERBSA-N -1 0 301.324 0.836 20 5 DCBDRM O=Cc1ccc(O[C@H]2CCN(CC(=O)[O-])C2=O)c([N+](=O)[O-])c1 ZINC001595296557 950148492 /nfs/dbraw/zinc/14/84/92/950148492.db2.gz IBOHQSOGSWXPLO-NSHDSACASA-N -1 0 308.246 0.472 20 5 DCBDRM C[C@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC001604636862 1169639974 /nfs/dbraw/zinc/63/99/74/1169639974.db2.gz KYOBGSNJYJJFED-CBAPKCEASA-N -1 0 315.307 0.474 20 5 DCBDRM O=C([O-])[C@H]1CCCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC001595198301 952306906 /nfs/dbraw/zinc/30/69/06/952306906.db2.gz XFCWZHOLKAZEDW-QMMMGPOBSA-N -1 0 315.307 0.475 20 5 DCBDRM CSc1ccc([N+](=O)[O-])c(C(=O)NCc2nc(=O)o[n-]2)c1 ZINC001335572642 952558449 /nfs/dbraw/zinc/55/84/49/952558449.db2.gz JOGCSQQVFHQTSB-UHFFFAOYSA-N -1 0 310.291 0.923 20 5 DCBDRM CN(CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)c1ncccc1O ZINC001351465923 955306959 /nfs/dbraw/zinc/30/69/59/955306959.db2.gz FNEMZMRDMSJGOQ-NXEZZACHSA-N -1 0 322.321 0.031 20 5 DCBDRM Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C(=O)C2CC(C)(C)C2)n1 ZINC001351533041 955324563 /nfs/dbraw/zinc/32/45/63/955324563.db2.gz WHQMDQIWVCPWBI-UHFFFAOYSA-N -1 0 316.339 0.569 20 5 DCBDRM COC(=O)COc1ccc(CN2CC(C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC001593851169 955458988 /nfs/dbraw/zinc/45/89/88/955458988.db2.gz COBLTHYJYPUKKY-UHFFFAOYSA-N -1 0 324.289 0.663 20 5 DCBDRM COC[C@]1(C(=O)[O-])CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC001593976001 956665466 /nfs/dbraw/zinc/66/54/66/956665466.db2.gz UAWSTQFOBYKDMH-AWEZNQCLSA-N -1 0 323.305 0.621 20 5 DCBDRM C[C@@H](CNc1ncnc(N2CCOCC2)c1[N+](=O)[O-])C(=O)[O-] ZINC001603202109 972310602 /nfs/dbraw/zinc/31/06/02/972310602.db2.gz KLABTGLSHFYLSV-QMMMGPOBSA-N -1 0 311.298 0.354 20 5 DCBDRM CNC(=O)C1(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CCOCC1 ZINC001303697079 960062374 /nfs/dbraw/zinc/06/23/74/960062374.db2.gz BJCNVSIMAKKCIV-UHFFFAOYSA-N -1 0 323.305 0.325 20 5 DCBDRM CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC001337290474 961980623 /nfs/dbraw/zinc/98/06/23/961980623.db2.gz VXSLRQFTAOPNPO-JTQLQIEISA-N -1 0 323.305 0.952 20 5 DCBDRM CCS(=O)(=O)CCNc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000312778121 963593361 /nfs/dbraw/zinc/59/33/61/963593361.db2.gz MTJYOFGBAVHEPI-UHFFFAOYSA-N -1 0 303.296 0.535 20 5 DCBDRM C[C@@](O)(CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])C(=O)[O-] ZINC001609785121 970526409 /nfs/dbraw/zinc/52/64/09/970526409.db2.gz LJYXUENKRXOTBE-SECBINFHSA-N -1 0 324.336 0.307 20 5 DCBDRM CO[C@@H](C(=O)[O-])C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001604423406 973200926 /nfs/dbraw/zinc/20/09/26/973200926.db2.gz ZPIUXRSXTDDJSU-GFCCVEGCSA-N -1 0 323.305 0.343 20 5 DCBDRM O=C([O-])[C@@H]1C[C@H](O)CN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000401835469 973434156 /nfs/dbraw/zinc/43/41/56/973434156.db2.gz PUHDJIAJJNNWHN-SVRRBLITSA-N -1 0 301.686 0.915 20 5 DCBDRM O=C([O-])C[NH+]1CCC(NC(=O)c2cccc([N+](=O)[O-])c2[O-])CC1 ZINC001606244087 973524427 /nfs/dbraw/zinc/52/44/27/973524427.db2.gz UOUWJHOOGXPGOF-UHFFFAOYSA-N -1 0 323.305 0.579 20 5 DCBDRM CC(C)c1n[nH]c(C(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)c1[N+](=O)[O-] ZINC001591920629 976388051 /nfs/dbraw/zinc/38/80/51/976388051.db2.gz CWIOUTCGXYUCEH-JIGDXULJSA-N -1 0 308.294 0.844 20 5 DCBDRM C[C@@](CO)(NC(=O)[C@H]1C[C@H]1C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001592740551 979272060 /nfs/dbraw/zinc/27/20/60/979272060.db2.gz YNQAHKHEBVMWSP-WDMOLILDSA-N -1 0 308.290 0.639 20 5 DCBDRM CC(C)Cn1[n-]c(CC(=O)Nc2c([N+](=O)[O-])cnn2C)cc1=O ZINC001529744795 1014603845 /nfs/dbraw/zinc/60/38/45/1014603845.db2.gz DGMMOQFTJJNRAW-UHFFFAOYSA-N -1 0 322.325 0.655 20 5 DCBDRM CCN1C[C@@H](Cn2cc(C(=O)[O-])cc([N+](=O)[O-])c2=O)OC1=O ZINC001596397902 983949328 /nfs/dbraw/zinc/94/93/28/983949328.db2.gz PDYPDACXZKDVPX-QMMMGPOBSA-N -1 0 311.250 0.295 20 5 DCBDRM C[C@H](O)CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC001599903355 984883232 /nfs/dbraw/zinc/88/32/32/984883232.db2.gz JPWWZVTYQANMRO-ZETCQYMHSA-N -1 0 318.307 0.342 20 5 DCBDRM CC(=O)N1CCN(c2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])CC1 ZINC001589086893 985262077 /nfs/dbraw/zinc/26/20/77/985262077.db2.gz GGBCKFZZQIXXGT-UHFFFAOYSA-N -1 0 308.294 0.665 20 5 DCBDRM C[C@@H]1CN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC(=O)N1C ZINC001594537029 986156814 /nfs/dbraw/zinc/15/68/14/986156814.db2.gz UHHFOFTUSQVRON-SECBINFHSA-N -1 0 307.306 0.956 20 5 DCBDRM C[C@H](C(=O)NCC[C@H](O)C(=O)[O-])c1ccc([N+](=O)[O-])cc1F ZINC001589409603 986604773 /nfs/dbraw/zinc/60/47/73/986604773.db2.gz HVJTUBFBAWNOLH-CPCISQLKSA-N -1 0 314.269 0.789 20 5 DCBDRM CCS(=O)(=O)CCN(C)c1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001597210148 987130044 /nfs/dbraw/zinc/13/00/44/987130044.db2.gz ZIKSPKNRQJWEPD-UHFFFAOYSA-N -1 0 317.323 0.559 20 5 DCBDRM CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](O)CC(=O)[O-] ZINC001599822382 988536736 /nfs/dbraw/zinc/53/67/36/988536736.db2.gz IUSGXNRKRPWTII-MRVPVSSYSA-N -1 0 314.319 0.882 20 5 DCBDRM C[C@@H](CO)N(C)S(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001599836855 988757134 /nfs/dbraw/zinc/75/71/34/988757134.db2.gz YBDHZTOXINACRM-ZETCQYMHSA-N -1 0 318.307 0.294 20 5 DCBDRM 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ZINC001599622199 994098756 /nfs/dbraw/zinc/09/87/56/994098756.db2.gz BXLPCKBRRKFDKS-NSHDSACASA-N -1 0 323.305 0.331 20 5 DCBDRM COc1cccc(C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C(=O)[O-])c1 ZINC001599668262 994767061 /nfs/dbraw/zinc/76/70/61/994767061.db2.gz GEQRFOCIZONDGX-IJLUTSLNSA-N -1 0 308.290 0.472 20 5 DCBDRM CNc1nccc(C(=O)NC[C@]2(C(=O)[O-])CCOC2)c1[N+](=O)[O-] ZINC001598682107 994945834 /nfs/dbraw/zinc/94/58/34/994945834.db2.gz UZSQSYLLVOVQHT-CYBMUJFWSA-N -1 0 324.293 0.253 20 5 DCBDRM COC(=O)[C@H](CC(=O)[O-])NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC001598692714 995089577 /nfs/dbraw/zinc/08/95/77/995089577.db2.gz DUHRIEFUQVNJOA-KWQFWETISA-N -1 0 324.289 0.831 20 5 DCBDRM COC(=O)[C@@H]1C[C@H](OC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C[C@@H](C(=O)[O-])C1 ZINC001598751777 995662799 /nfs/dbraw/zinc/66/27/99/995662799.db2.gz AVTHGAZQCQJVDP-SRQGCSHVSA-N -1 0 315.278 0.237 20 5 DCBDRM CO[C@@]1(C(=O)[O-])CCN(C(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC001599074421 996832732 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416571531 /nfs/dbraw/zinc/57/15/31/416571531.db2.gz PLVLQRQDXGTOCW-MRVPVSSYSA-N -1 0 308.294 0.444 20 5 DCBDRM COC(=O)[C@H]1CN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CCO1 ZINC000436958631 416576905 /nfs/dbraw/zinc/57/69/05/416576905.db2.gz CAANGCHATWNBIS-LLVKDONJSA-N -1 0 310.262 0.314 20 5 DCBDRM Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000541856283 416615479 /nfs/dbraw/zinc/61/54/79/416615479.db2.gz DDGMOJXYIHPFNM-QMMMGPOBSA-N -1 0 317.309 0.710 20 5 DCBDRM COC(=O)C1(O)CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000542793117 416631738 /nfs/dbraw/zinc/63/17/38/416631738.db2.gz MKPBPLFYDLABJY-UHFFFAOYSA-N -1 0 324.289 0.441 20 5 DCBDRM Cc1nc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)nn1C ZINC000427627287 416832586 /nfs/dbraw/zinc/83/25/86/416832586.db2.gz ZCLARTSNBNQEGR-UHFFFAOYSA-N -1 0 315.286 0.972 20 5 DCBDRM NS(=O)(=O)c1ccc(Sc2n[nH]c(=O)[n-]2)c([N+](=O)[O-])c1 ZINC000429334810 416963198 /nfs/dbraw/zinc/96/31/98/416963198.db2.gz QFPXMTNJWAVWNT-UHFFFAOYSA-N -1 0 317.308 0.217 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/nfs/dbraw/zinc/05/05/58/337050558.db2.gz KSOWTISUSGTTJV-UHFFFAOYSA-N -1 0 313.310 0.424 20 5 DCBDRM C[C@@H](NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000262867232 525087917 /nfs/dbraw/zinc/08/79/17/525087917.db2.gz XFDQYRTXXAVEIE-MRVPVSSYSA-N -1 0 309.278 0.304 20 5 DCBDRM C[C@H](CC(=O)[O-])NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000262947484 526251165 /nfs/dbraw/zinc/25/11/65/526251165.db2.gz IIOSLOCYONRYGF-SECBINFHSA-N -1 0 323.305 0.694 20 5 DCBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCO[C@@H](c2ncon2)C1 ZINC000364264096 526703349 /nfs/dbraw/zinc/70/33/49/526703349.db2.gz DGGNUYKKJHMKOV-LLVKDONJSA-N -1 0 320.261 0.897 20 5 DCBDRM O=C([O-])COC(=O)c1cc([N+](=O)[O-])ccc1SCCO ZINC000821535657 597514934 /nfs/dbraw/zinc/51/49/34/597514934.db2.gz OSKPSDWIISQGIM-UHFFFAOYSA-N -1 0 301.276 0.921 20 5 DCBDRM O=C([O-])[C@H]1CCN(Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000819286668 597538343 /nfs/dbraw/zinc/53/83/43/597538343.db2.gz DWPFWHHJNHYVLO-QMMMGPOBSA-N -1 0 307.262 0.867 20 5 DCBDRM C[C@@H](NC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)C(=O)[O-] ZINC000820114342 597709915 /nfs/dbraw/zinc/70/99/15/597709915.db2.gz MFLMGONUGTXZDG-RDDDGLTNSA-N -1 0 307.262 0.677 20 5 DCBDRM O=C([O-])[C@@H]1C[C@H]1C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000739318787 599701682 /nfs/dbraw/zinc/70/16/82/599701682.db2.gz GTBICUJOUWPVQM-NXEZZACHSA-N -1 0 308.246 0.797 20 5 DCBDRM COC(=O)[C@H](C)CNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000737561298 599778900 /nfs/dbraw/zinc/77/89/00/599778900.db2.gz FSEQYYSQCWISDI-SSDOTTSWSA-N -1 0 310.262 0.832 20 5 DCBDRM COC(=O)CN(CC(=O)[O-])Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000737616628 600013703 /nfs/dbraw/zinc/01/37/03/600013703.db2.gz YTNHZQAACMPAPU-UHFFFAOYSA-N -1 0 312.278 0.663 20 5 DCBDRM C[C@@H](OC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)C(=O)[O-] ZINC000736695966 600019603 /nfs/dbraw/zinc/01/96/03/600019603.db2.gz IBEIGOKTGRRDIY-SSDOTTSWSA-N -1 0 306.234 0.805 20 5 DCBDRM NC(=O)c1ccc(COC(=O)[C@@H]2C[C@@H]2C(=O)[O-])c([N+](=O)[O-])c1 ZINC000739178433 600174097 /nfs/dbraw/zinc/17/40/97/600174097.db2.gz WUXHTDUISAEXGL-DTWKUNHWSA-N -1 0 308.246 0.458 20 5 DCBDRM O=C([O-])[C@H]1C[C@@H]1C(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000739324505 600177134 /nfs/dbraw/zinc/17/71/34/600177134.db2.gz XWWOWFBPVTVUJB-YUMQZZPRSA-N -1 0 308.246 0.797 20 5 DCBDRM Cc1c(C(=O)Nc2n[nH]c(CC(=O)[O-])n2)cccc1[N+](=O)[O-] ZINC000738276503 600534486 /nfs/dbraw/zinc/53/44/86/600534486.db2.gz XDMDGILYZSEMKF-UHFFFAOYSA-N -1 0 305.250 0.901 20 5 DCBDRM CNC(=O)c1ccc(N2CC[C@@](F)(C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000831011627 601379829 /nfs/dbraw/zinc/37/98/29/601379829.db2.gz QTAAJGRHUNKZBL-ZDUSSCGKSA-N -1 0 311.269 0.957 20 5 DCBDRM O=C([O-])[C@@H](NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C1CC1 ZINC000126507141 601389185 /nfs/dbraw/zinc/38/91/85/601389185.db2.gz CVUIEWAZGOKRGX-VIFPVBQESA-N -1 0 318.282 0.875 20 5 DCBDRM O=C([O-])[C@]1(F)CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000833176292 601391376 /nfs/dbraw/zinc/39/13/76/601391376.db2.gz PWORACKWCXGYLE-VIFPVBQESA-N -1 0 324.311 0.844 20 5 DCBDRM COC(=O)[C@@H](NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)C1CC1 ZINC000831078093 601592748 /nfs/dbraw/zinc/59/27/48/601592748.db2.gz JMVOSUGVCANTSI-NSHDSACASA-N -1 0 322.273 0.974 20 5 DCBDRM Cc1nc([N+](=O)[O-])cn1CCC(=O)N1C[C@H](C)[C@H](C(=O)[O-])C1 ZINC000833004840 601700103 /nfs/dbraw/zinc/70/01/03/601700103.db2.gz JBJFIARSKHJRIN-WCBMZHEXSA-N -1 0 310.310 0.669 20 5 DCBDRM C[C@H](CS(=O)(=O)Oc1cc(C=O)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000827571772 601784247 /nfs/dbraw/zinc/78/42/47/601784247.db2.gz RKUUHZJFFMKHMT-SSDOTTSWSA-N -1 0 317.275 0.837 20 5 DCBDRM CCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1 ZINC000825333464 607575665 /nfs/dbraw/zinc/57/56/65/607575665.db2.gz ZKNFZGDBIDWNMD-UHFFFAOYSA-N -1 0 312.311 0.463 20 5 DCBDRM C[C@@H](CN(C)C(=O)[O-])C(=O)OCCn1ccc([N+](=O)[O-])n1 ZINC000824895629 603771640 /nfs/dbraw/zinc/77/16/40/603771640.db2.gz BJONNMHEPRKDMQ-QMMMGPOBSA-N -1 0 300.271 0.580 20 5 DCBDRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CCO1 ZINC000825328265 604448656 /nfs/dbraw/zinc/44/86/56/604448656.db2.gz UTZDWYNWZCXWMM-XVKPBYJWSA-N -1 0 312.282 0.420 20 5 DCBDRM O=C(CN[C@@]1(C(=O)[O-])CCOC1)Nc1ccccc1[N+](=O)[O-] ZINC000833764816 604485302 /nfs/dbraw/zinc/48/53/02/604485302.db2.gz NJKNFKCISYXDNO-ZDUSSCGKSA-N -1 0 309.278 0.367 20 5 DCBDRM C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)CCO1 ZINC000825334754 604677865 /nfs/dbraw/zinc/67/78/65/604677865.db2.gz KATWZKRDRMDOMT-APPZFPTMSA-N -1 0 313.266 0.685 20 5 DCBDRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)CCO1 ZINC000825334757 604677920 /nfs/dbraw/zinc/67/79/20/604677920.db2.gz KATWZKRDRMDOMT-CBAPKCEASA-N -1 0 313.266 0.685 20 5 DCBDRM CC(C)c1n[nH]c(C(=O)N[C@]2(C(=O)[O-])CCOC2)c1[N+](=O)[O-] ZINC000827097604 604932155 /nfs/dbraw/zinc/93/21/55/604932155.db2.gz SJNFXVVVTCXHKO-GFCCVEGCSA-N -1 0 312.282 0.415 20 5 DCBDRM O=C([O-])NCc1nnnn1CC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000832739731 605180290 /nfs/dbraw/zinc/18/02/90/605180290.db2.gz ZOGOTRNUFQNXBE-UHFFFAOYSA-N -1 0 306.238 0.232 20 5 DCBDRM O=C([O-])N1CCC[C@@H](C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000831708196 605491237 /nfs/dbraw/zinc/49/12/37/605491237.db2.gz DRPZIQDSPFWHEU-SECBINFHSA-N -1 0 311.298 0.298 20 5 DCBDRM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000834051722 605711844 /nfs/dbraw/zinc/71/18/44/605711844.db2.gz IYJBXZXCMVHAPA-CBAPKCEASA-N -1 0 311.250 0.352 20 5 DCBDRM O=C([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1cocn1 ZINC000781835901 657792738 /nfs/dbraw/zinc/79/27/38/657792738.db2.gz BGFYKTSIPAOBDJ-UHFFFAOYSA-N -1 0 315.238 0.841 20 5 DCBDRM COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC000262457658 658080051 /nfs/dbraw/zinc/08/00/51/658080051.db2.gz HYWQYYJGRQKJAZ-UHFFFAOYSA-N -1 0 324.289 0.655 20 5 DCBDRM Nc1ccc(C(=O)N[C@H](C(=O)[O-])[C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000262760513 658137672 /nfs/dbraw/zinc/13/76/72/658137672.db2.gz KILQCHZDSKQQOC-CABZTGNLSA-N -1 0 323.305 0.787 20 5 DCBDRM C[C@@](O)(CNC(=O)COc1ccc([N+](=O)[O-])c(F)c1)C(=O)[O-] ZINC000262448807 662391667 /nfs/dbraw/zinc/39/16/67/662391667.db2.gz VRKLSUDIYSWMLB-GFCCVEGCSA-N -1 0 316.241 0.065 20 5 DCBDRM Cc1c(C(=O)NCc2nnn[n-]2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000732158323 664906364 /nfs/dbraw/zinc/90/63/64/664906364.db2.gz ZEKYTPNEMNQGTE-UHFFFAOYSA-N -1 0 321.253 0.563 20 5 DCBDRM CCOCCS(=O)(=O)[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC000732507707 664940114 /nfs/dbraw/zinc/94/01/14/664940114.db2.gz GGHMLGXGKWAIRR-UHFFFAOYSA-N -1 0 302.308 0.691 20 5 DCBDRM COCCS(=O)(=O)[N-]C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000732523221 664943093 /nfs/dbraw/zinc/94/30/93/664943093.db2.gz OKGMMYOVZDGPSI-UHFFFAOYSA-N -1 0 302.308 0.230 20 5 DCBDRM CCS(=O)(=O)[N-]C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000732605887 664948178 /nfs/dbraw/zinc/94/81/78/664948178.db2.gz YUVJYFJMRDEULN-UHFFFAOYSA-N -1 0 316.291 0.446 20 5 DCBDRM CCS(=O)(=O)[N-]C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000732605852 664948221 /nfs/dbraw/zinc/94/82/21/664948221.db2.gz TXXOSAAIWBOPNE-UHFFFAOYSA-N -1 0 301.324 0.863 20 5 DCBDRM CC(C)(C(=O)N[C@@H]1C[C@H]2C[C@@]2(C(=O)[O-])C1)n1cc([N+](=O)[O-])cn1 ZINC000864209940 667224487 /nfs/dbraw/zinc/22/44/87/667224487.db2.gz GWMUAVCIYODOTB-ATEUNZGCSA-N -1 0 322.321 0.896 20 5 DCBDRM Cn1c(C(=O)[N-]S(=O)(=O)CC(F)(F)F)ccc1[N+](=O)[O-] ZINC000744263953 667824375 /nfs/dbraw/zinc/82/43/75/667824375.db2.gz IHJKNGMKBDODQZ-UHFFFAOYSA-N -1 0 315.229 0.555 20 5 DCBDRM C[C@]1(C(=O)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCCO1 ZINC000756215884 668081786 /nfs/dbraw/zinc/08/17/86/668081786.db2.gz JBSLJGHIXFPNAX-GFCCVEGCSA-N -1 0 314.319 0.969 20 5 DCBDRM COCCN(C)S(=O)(=O)[N-]C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000757341141 668126656 /nfs/dbraw/zinc/12/66/56/668126656.db2.gz SNQUBDOQFQQURN-UHFFFAOYSA-N -1 0 317.323 0.148 20 5 DCBDRM O=C1OCC[C@@H]1NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000758981243 668202985 /nfs/dbraw/zinc/20/29/85/668202985.db2.gz RZXJWWQCMFQWBW-VIFPVBQESA-N -1 0 300.292 0.330 20 5 DCBDRM O=C(OCc1n[nH]c(=O)[n-]1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000762969703 668388558 /nfs/dbraw/zinc/38/85/58/668388558.db2.gz XHRJLNLZAMRHOS-UHFFFAOYSA-N -1 0 322.262 0.780 20 5 DCBDRM O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)[N-]OCC(F)(F)F ZINC000768291097 668604453 /nfs/dbraw/zinc/60/44/53/668604453.db2.gz FKQHJSBCXAHDMN-UHFFFAOYSA-N -1 0 321.211 0.935 20 5 DCBDRM CO[C@H](C)CC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000770772597 668713807 /nfs/dbraw/zinc/71/38/07/668713807.db2.gz LTKVBEIJUJQOAC-SSDOTTSWSA-N -1 0 320.298 0.964 20 5 DCBDRM CC(C)S(=O)(=O)[N-]C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000779197751 668908331 /nfs/dbraw/zinc/90/83/31/668908331.db2.gz HXWTVSFFWHVIGX-UHFFFAOYSA-N -1 0 316.291 0.792 20 5 DCBDRM Cn1cc([N+](=O)[O-])cc1C(=O)[N-]S(=O)(=O)[C@@H]1CCCOC1 ZINC000780609765 668999760 /nfs/dbraw/zinc/99/97/60/668999760.db2.gz NYJHMBOPOQRAMJ-SECBINFHSA-N -1 0 317.323 0.172 20 5 DCBDRM Cn1c(C(=O)[N-]S(=O)(=O)[C@@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000780617607 669000472 /nfs/dbraw/zinc/00/04/72/669000472.db2.gz UBSQGURPUXOHBR-MRVPVSSYSA-N -1 0 317.323 0.172 20 5 DCBDRM O=C([N-]N1CCCC1=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000780699960 669006721 /nfs/dbraw/zinc/00/67/21/669006721.db2.gz MLEOGNLJTUFVBI-UHFFFAOYSA-N -1 0 307.262 0.633 20 5 DCBDRM C[C@H]1C[C@@H](C(=O)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CO1 ZINC000784481328 669206827 /nfs/dbraw/zinc/20/68/27/669206827.db2.gz YQCPISBFELQDIR-DTWKUNHWSA-N -1 0 314.319 0.825 20 5 DCBDRM Cc1cc(S(=O)(=O)NC/C=C/C(=O)[O-])cc([N+](=O)[O-])c1F ZINC000788445501 669440252 /nfs/dbraw/zinc/44/02/52/669440252.db2.gz HBHIYDZGCHPHFA-NSCUHMNNSA-N -1 0 318.282 0.961 20 5 DCBDRM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccnc2ncnn21 ZINC000790637201 669563180 /nfs/dbraw/zinc/56/31/80/669563180.db2.gz ULBUQBUUKMKZOA-UHFFFAOYSA-N -1 0 320.290 0.833 20 5 DCBDRM CCN(C)S(=O)(=O)[N-]C(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000797072602 669955290 /nfs/dbraw/zinc/95/52/90/669955290.db2.gz ZWSZEOPRQFFFCQ-UHFFFAOYSA-N -1 0 315.351 0.758 20 5 DCBDRM Cc1c(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])nc2)ccn1C ZINC000798839160 670026938 /nfs/dbraw/zinc/02/69/38/670026938.db2.gz UTBRPLCNCKLBOY-UHFFFAOYSA-N -1 0 324.318 0.755 20 5 DCBDRM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C(=O)O1 ZINC000809382998 670450151 /nfs/dbraw/zinc/45/01/51/670450151.db2.gz PNHLCQRVNLHYBQ-HTRCEHHLSA-N -1 0 318.282 0.716 20 5 DCBDRM CC[C@H](OC)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000847893289 670610272 /nfs/dbraw/zinc/61/02/72/670610272.db2.gz OMXHMHYGKZLBIX-QMMMGPOBSA-N -1 0 303.296 0.220 20 5 DCBDRM COC/C(C)=C/C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000847895818 670610839 /nfs/dbraw/zinc/61/08/39/670610839.db2.gz XSXJLYONLYOGLK-VMPITWQZSA-N -1 0 315.307 0.387 20 5 DCBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CC[C@@H](N2CCOC2=O)C1 ZINC000855505818 670724053 /nfs/dbraw/zinc/72/40/53/670724053.db2.gz QDEDFNXTYXLSTF-SNVBAGLBSA-N -1 0 321.289 0.967 20 5 DCBDRM O=C(NOCCN1CCCC1=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000856037840 670778855 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COc1cccc(C(=O)N2CCOC[C@H]2CC(=O)[O-])c1[N+](=O)[O-] ZINC001599641603 994367186 /nfs/dbraw/zinc/36/71/86/994367186.db2.gz VHRFDUFFTQMZKT-SECBINFHSA-N -1 0 324.289 0.919 20 5 DCBDRM CNC(=O)N[C@@H]1CCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001598653090 994477556 /nfs/dbraw/zinc/47/75/56/994477556.db2.gz NUVZHLFQONWROQ-LLVKDONJSA-N -1 0 322.321 0.796 20 5 DCBDRM CNc1c(C(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC001598677705 994873896 /nfs/dbraw/zinc/87/38/96/994873896.db2.gz YXAAPDKLJDROIL-KCJUWKMLSA-N -1 0 323.305 0.951 20 5 DCBDRM COC(=O)[C@]1(F)CCN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001598721451 995483211 /nfs/dbraw/zinc/48/32/11/995483211.db2.gz WNFHEERZIKNBLH-LBPRGKRZSA-N -1 0 313.241 0.779 20 5 DCBDRM COC(=O)[C@@H]1C[N@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C[C@H]1C(=O)[O-] ZINC001598830206 996428488 /nfs/dbraw/zinc/42/84/88/996428488.db2.gz WBCFIXDAQIIBFX-GHMZBOCLSA-N -1 0 324.289 0.606 20 5 DCBDRM C[C@@]1(C(=O)[O-])CCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001593784473 996502498 /nfs/dbraw/zinc/50/24/98/996502498.db2.gz PXQJKZNBDOIGJE-BXUZGUMPSA-N -1 0 308.290 0.951 20 5 DCBDRM COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC001466465962 1016080641 /nfs/dbraw/zinc/08/06/41/1016080641.db2.gz MCWBJBJKWCAMQP-SCZZXKLOSA-N -1 0 310.262 0.049 20 5 DCBDRM COC[C@](C)(NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC001599151869 998308831 /nfs/dbraw/zinc/30/88/31/998308831.db2.gz UGOVGLZKEUHKLP-GWCFXTLKSA-N -1 0 312.278 0.234 20 5 DCBDRM COc1ccc(Cn2cnc(C(=O)[O-])cc2=O)cc1[N+](=O)[O-] ZINC001599580666 998524393 /nfs/dbraw/zinc/52/43/93/998524393.db2.gz MJAAXCHEKAQYFD-UHFFFAOYSA-N -1 0 305.246 0.907 20 5 DCBDRM COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)n1 ZINC001598989047 998719850 /nfs/dbraw/zinc/71/98/50/998719850.db2.gz ZBSKAPVGAONGJU-MTBHXBHISA-N -1 0 307.262 0.543 20 5 DCBDRM O=C(N[C@H](CO)C[C@@H]1CCCO1)c1cc([N+](=O)[O-])ccc1[O-] ZINC001471897882 1016685094 /nfs/dbraw/zinc/68/50/94/1016685094.db2.gz OGVWZLOTVLZLFJ-ONGXEEELSA-N -1 0 310.306 0.960 20 5 DCBDRM CO[C@H](C(=O)[O-])C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC001574103868 1163636557 /nfs/dbraw/zinc/63/65/57/1163636557.db2.gz CQNAVEGYQAEGIO-VIFPVBQESA-N -1 0 302.670 0.964 20 5 DCBDRM O=C(NCCCc1c[nH][nH]c1=O)c1cccc([N+](=O)[O-])c1[O-] ZINC001454186161 1008986169 /nfs/dbraw/zinc/98/61/69/1008986169.db2.gz LSCDZGYYCKKFCO-QMMMGPOBSA-N -1 0 306.278 0.542 20 5 DCBDRM Cc1c(F)ccc([N+](=O)[O-])c1C(=O)[N-]n1ccc(=O)[nH]c1=O ZINC001454277605 1009036023 /nfs/dbraw/zinc/03/60/23/1009036023.db2.gz KYKIJGVJBAPLCE-UHFFFAOYSA-N -1 0 308.225 0.689 20 5 DCBDRM C[C@@H]1CC[C@@H](C(N)=O)[C@H](C)N1C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC001557228687 1012267098 /nfs/dbraw/zinc/26/70/98/1012267098.db2.gz BYZADZRZMDYXTK-KHQFGBGNSA-N -1 0 322.321 0.810 20 5 DCBDRM COC[C@H](NC(=O)Cc1ccc(F)cc1[N+](=O)[O-])c1nnn[n-]1 ZINC001558339588 1012341528 /nfs/dbraw/zinc/34/15/28/1012341528.db2.gz HIAGMJSKIHBOAP-VIFPVBQESA-N -1 0 324.272 0.293 20 5 DCBDRM C[C@@H](O)C(C)(C)CNS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC001561991008 1012484913 /nfs/dbraw/zinc/48/49/13/1012484913.db2.gz UULFJCUUPKNUBQ-MRVPVSSYSA-N -1 0 318.351 0.986 20 5 DCBDRM O=C1NCC2(CCOCC2)[C@@H]1NCc1cc([O-])ccc1[N+](=O)[O-] ZINC001460853487 1012980747 /nfs/dbraw/zinc/98/07/47/1012980747.db2.gz VJOJMZIWIAUQAB-CYBMUJFWSA-N -1 0 321.333 0.685 20 5 DCBDRM O=C([O-])CNC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000263237394 304069385 /nfs/dbraw/zinc/06/93/85/304069385.db2.gz DZORQHQVYLHSJU-UHFFFAOYSA-N -1 0 309.278 0.246 20 5 DCBDRM COC[C@](C)(NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000328504120 291259401 /nfs/dbraw/zinc/25/94/01/291259401.db2.gz WVBQVKFWGBXYHP-NSHDSACASA-N -1 0 318.307 0.363 20 5 DCBDRM C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000021518377 299330804 /nfs/dbraw/zinc/33/08/04/299330804.db2.gz FQOCDUGPSMSQLG-YFKPBYRVSA-N -1 0 308.699 1.000 20 5 DCBDRM CO[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)[C@H](C(=O)[O-])C1 ZINC000571345902 291510534 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0.909 20 5 DCBDRM Cc1ccc(C(=O)[O-])cc1NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000339644594 253120938 /nfs/dbraw/zinc/12/09/38/253120938.db2.gz AEAMBSQODRTSGG-UHFFFAOYSA-N -1 0 305.250 0.832 20 5 DCBDRM O=C([O-])CC[C@@H]1CCCCN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000347523628 254164835 /nfs/dbraw/zinc/16/48/35/254164835.db2.gz RULZHFNVBMUVQC-VIFPVBQESA-N -1 0 311.298 0.432 20 5 DCBDRM CCc1nc([N-]S(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])no1 ZINC000350644993 254322122 /nfs/dbraw/zinc/32/21/22/254322122.db2.gz BLHATISUIZXMRH-UHFFFAOYSA-N -1 0 316.299 0.557 20 5 DCBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H](C(=O)[O-])[C@@H](C)O ZINC000035346810 395720378 /nfs/dbraw/zinc/72/03/78/395720378.db2.gz CXHSHOQQHBNIAX-APPZFPTMSA-N -1 0 318.307 0.016 20 5 DCBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCC(=O)[O-] ZINC000037465239 395727376 /nfs/dbraw/zinc/72/73/76/395727376.db2.gz KITNMAMRRVMINL-UHFFFAOYSA-N -1 0 304.280 0.356 20 5 DCBDRM CCS(=O)(=O)CCN(C)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000270517229 395779397 /nfs/dbraw/zinc/77/93/97/395779397.db2.gz LICZIJPJTOKTLY-UHFFFAOYSA-N -1 0 316.335 0.807 20 5 DCBDRM CN(C)C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000117982018 395856558 /nfs/dbraw/zinc/85/65/58/395856558.db2.gz KIJHKTKCAWUSBQ-NSHDSACASA-N -1 0 307.306 0.993 20 5 DCBDRM C[C@H](C(=O)[O-])N(C)c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000054054948 395893191 /nfs/dbraw/zinc/89/31/91/395893191.db2.gz APSCGSHHGUHIAJ-ZCFIWIBFSA-N -1 0 303.296 0.152 20 5 DCBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H](C)C(=O)[O-] ZINC000054333717 395897264 /nfs/dbraw/zinc/89/72/64/395897264.db2.gz JKQBNJYQTHVHHH-SSDOTTSWSA-N -1 0 302.308 0.902 20 5 DCBDRM C[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H](C)C(=O)[O-] ZINC000133180632 395928422 /nfs/dbraw/zinc/92/84/22/395928422.db2.gz IYVDXRYQKWYKTA-HTQZYQBOSA-N -1 0 302.308 0.982 20 5 DCBDRM CNC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1 ZINC000274681160 395966866 /nfs/dbraw/zinc/96/68/66/395966866.db2.gz JRHJZXCIEZJJPL-UHFFFAOYSA-N -1 0 308.294 0.398 20 5 DCBDRM COC(=O)[C@]1(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CCOC1 ZINC000274744773 395972954 /nfs/dbraw/zinc/97/29/54/395972954.db2.gz GONLRWOTXFQNBY-ZDUSSCGKSA-N -1 0 310.262 0.362 20 5 DCBDRM O=C([O-])C[C@H]1COCCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000261636084 396050887 /nfs/dbraw/zinc/05/08/87/396050887.db2.gz CQAXFGNRNJUHHO-NSHDSACASA-N -1 0 324.289 0.676 20 5 DCBDRM O=C([O-])[C@H]1CC12CCN(C(=O)Cn1ccc([N+](=O)[O-])n1)CC2 ZINC000262231740 396113639 /nfs/dbraw/zinc/11/36/39/396113639.db2.gz YPHWIZWANBWRIJ-SECBINFHSA-N -1 0 308.294 0.505 20 5 DCBDRM COc1cc(OCC(=O)NC[C@H](C)C(=O)[O-])ccc1[N+](=O)[O-] ZINC000262497502 396147626 /nfs/dbraw/zinc/14/76/26/396147626.db2.gz HMHANFIUEOILEV-QMMMGPOBSA-N -1 0 312.278 0.819 20 5 DCBDRM CC[C@H](NC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000262526016 396151160 /nfs/dbraw/zinc/15/11/60/396151160.db2.gz RSHQXDONDASVBC-KWQFWETISA-N -1 0 323.305 0.693 20 5 DCBDRM Nc1c(C(=O)N[C@H](C(=O)[O-])[C@@H]2CCCOC2)cccc1[N+](=O)[O-] ZINC000262722911 396175846 /nfs/dbraw/zinc/17/58/46/396175846.db2.gz FOADWPNNFDVEKT-PELKAZGASA-N -1 0 323.305 0.787 20 5 DCBDRM CC[C@@H](NC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1)C(=O)[O-] ZINC000262832084 396186284 /nfs/dbraw/zinc/18/62/84/396186284.db2.gz XWVLKSMWUCMPFB-SNVBAGLBSA-N -1 0 323.305 0.612 20 5 DCBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000281817245 396242014 /nfs/dbraw/zinc/24/20/14/396242014.db2.gz VICCIDXUYAMKDK-ZJUUUORDSA-N -1 0 321.289 0.871 20 5 DCBDRM CCNC(=O)N1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000268625118 396362794 /nfs/dbraw/zinc/36/27/94/396362794.db2.gz VBESROCRBDDNJE-JTQLQIEISA-N -1 0 322.321 0.834 20 5 DCBDRM O=C(N[C@@H]1CC(=O)N(C2CC2)C1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000187679656 396372295 /nfs/dbraw/zinc/37/22/95/396372295.db2.gz ZDGWHOQGELUVNC-MRVPVSSYSA-N -1 0 305.290 0.794 20 5 DCBDRM CC(C)[C@H]1C(=O)NCCN1C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000269298001 396405025 /nfs/dbraw/zinc/40/50/25/396405025.db2.gz 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Cc1nn(C)c(C(=O)N[C@]2(C(=O)[O-])CCSC2)c1[N+](=O)[O-] ZINC001337290761 952837964 /nfs/dbraw/zinc/83/79/64/952837964.db2.gz BXIKYJQMLNJHDG-LLVKDONJSA-N -1 0 314.323 0.327 20 5 DCBDRM O=C(NC[C@H](O)CN1CCCC1=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC001344074349 953413282 /nfs/dbraw/zinc/41/32/82/953413282.db2.gz FDULLOXXWNKRGR-JTQLQIEISA-N -1 0 323.305 0.014 20 5 DCBDRM CC[C@H](NC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)C(=O)[O-] ZINC001593618567 953507903 /nfs/dbraw/zinc/50/79/03/953507903.db2.gz VHGDXBOUWJNKGM-QMMMGPOBSA-N -1 0 323.261 0.482 20 5 DCBDRM C[C@@H]1C[C@H](C(=O)[O-])CN(c2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC001589281937 953529550 /nfs/dbraw/zinc/52/95/50/953529550.db2.gz IBSAPSHARHSEII-SFYZADRCSA-N -1 0 308.294 0.636 20 5 DCBDRM CN(CC(=O)[O-])C(=O)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1 ZINC001593721153 954253497 /nfs/dbraw/zinc/25/34/97/954253497.db2.gz UWZJKQVHVLADLY-UHFFFAOYSA-N -1 0 319.277 0.391 20 5 DCBDRM O=C([O-])C1(c2noc(CCn3cc([N+](=O)[O-])cn3)n2)CCC1 ZINC001594886621 954471686 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DCBDRM O=C(NC[C@H]1C[C@@H]2COC[C@@H]2O1)c1ccc([N+](=O)[O-])cc1[O-] ZINC001303412845 960048434 /nfs/dbraw/zinc/04/84/34/960048434.db2.gz OBWMBZVZCDYYPC-JQEORGNBSA-N -1 0 308.290 0.834 20 5 DCBDRM O=[N+]([O-])c1cccnc1S(=O)(=O)[N-]CCc1cccnc1 ZINC001309039658 960188706 /nfs/dbraw/zinc/18/87/06/960188706.db2.gz MIHBIQPMCLBVNP-UHFFFAOYSA-N -1 0 308.319 0.906 20 5 DCBDRM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-][C@@H]1CC12CC(O)C2 ZINC001309894270 960212413 /nfs/dbraw/zinc/21/24/13/960212413.db2.gz WLDHHVINFLEABL-VPHNTROTSA-N -1 0 316.310 0.926 20 5 DCBDRM CO[N-]C(=O)CNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001309915639 960215243 /nfs/dbraw/zinc/21/52/43/960215243.db2.gz GVVMBNNVEUYJBK-UHFFFAOYSA-N -1 0 323.714 0.204 20 5 DCBDRM O=[N+]([O-])c1cccnc1S(=O)(=O)[N-]CC[C@H](O)C1CC1 ZINC001309937166 960215484 /nfs/dbraw/zinc/21/54/84/960215484.db2.gz CLDHUVVARQHUJP-JTQLQIEISA-N -1 0 301.324 0.429 20 5 DCBDRM CN(CCc1cccc([N+](=O)[O-])c1)Cc1cn(CC(=O)[O-])nn1 ZINC001339118340 962004668 /nfs/dbraw/zinc/00/46/68/962004668.db2.gz PHCDFVXGPZUCHG-UHFFFAOYSA-N -1 0 319.321 0.945 20 5 DCBDRM O=C([O-])C[C@@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC001349601861 962475224 /nfs/dbraw/zinc/47/52/24/962475224.db2.gz JVXKOJULSBFPBT-OLZOCXBDSA-N -1 0 310.306 0.804 20 5 DCBDRM C[C@H](NC(=O)c1cc([N+](=O)[O-])ncc1Br)C(=O)[O-] ZINC000302283422 963070300 /nfs/dbraw/zinc/07/03/00/963070300.db2.gz VKECNLPRGOFLHB-BYPYZUCNSA-N -1 0 318.083 0.955 20 5 DCBDRM O=C([O-])C(=O)COC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC001605880610 972666505 /nfs/dbraw/zinc/66/65/05/972666505.db2.gz GWOAXZNYXWGOIF-UHFFFAOYSA-N -1 0 311.202 0.177 20 5 DCBDRM O=C([O-])[C@H]1C[C@H](O)CN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000401835470 973434172 /nfs/dbraw/zinc/43/41/72/973434172.db2.gz PUHDJIAJJNNWHN-XPUUQOCRSA-N -1 0 301.686 0.915 20 5 DCBDRM O=C([O-])[C@@H]1CCCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001606373978 973826029 /nfs/dbraw/zinc/82/60/29/973826029.db2.gz LWBXXIWCGLFDIO-PWSUYJOCSA-N -1 0 308.290 0.951 20 5 DCBDRM O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)Cc1cccc([N+](=O)[O-])c1)C2 ZINC001605709609 974139085 /nfs/dbraw/zinc/13/90/85/974139085.db2.gz RCHSMPXQMQBVKE-NHYWBVRUSA-N -1 0 320.301 0.697 20 5 DCBDRM CO[C@@]1(C(=O)[O-])CCN(C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000703729631 977177494 /nfs/dbraw/zinc/17/74/94/977177494.db2.gz KHUMMCMHOSCIKT-NSHDSACASA-N -1 0 300.292 0.972 20 5 DCBDRM C[C@H](/C=C\C(=O)[O-])NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001592211222 977259696 /nfs/dbraw/zinc/25/96/96/977259696.db2.gz KJZUNZQFFSSYAU-RPSMYOMKSA-N -1 0 300.292 0.902 20 5 DCBDRM CN(C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)c1nnn[n-]1 ZINC001528749170 1014404687 /nfs/dbraw/zinc/40/46/87/1014404687.db2.gz LTTNEKDDLFTKQG-UHFFFAOYSA-N -1 0 314.265 0.570 20 5 DCBDRM CCn1c(C)nc([N+](=O)[O-])c1N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001605905880 1170024439 /nfs/dbraw/zinc/02/44/39/1170024439.db2.gz ZEPMFUNQMDVBEE-SNVBAGLBSA-N -1 0 312.326 0.782 20 5 DCBDRM C[C@](CCF)(NS(=O)(=O)c1cccnc1[N+](=O)[O-])C(=O)[O-] ZINC001592506895 978322248 /nfs/dbraw/zinc/32/22/48/978322248.db2.gz HGFLJVWCBLWIRJ-SNVBAGLBSA-N -1 0 321.286 0.471 20 5 DCBDRM CCCc1n[nH]c(C(=O)N[C@@H](CCOC)C(=O)[O-])c1[N+](=O)[O-] ZINC001596029375 983294734 /nfs/dbraw/zinc/29/47/34/983294734.db2.gz JPISPIJTJOLXDJ-QMMMGPOBSA-N -1 0 314.298 0.490 20 5 DCBDRM C[C@H](NC(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2)C(=O)[O-] ZINC001599900890 984822815 /nfs/dbraw/zinc/82/28/15/984822815.db2.gz UMFPAEXGHZIDBL-ZETCQYMHSA-N -1 0 310.262 0.959 20 5 DCBDRM CCOC[C@@H](C(=O)[O-])N(C)C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001596872503 985704283 /nfs/dbraw/zinc/70/42/83/985704283.db2.gz LZVYEUYNYNCCFF-YFKPBYRVSA-N -1 0 320.689 0.533 20 5 DCBDRM Cc1n[nH]c(C(=O)N[C@@]2(C(=O)[O-])CCSC2)c1[N+](=O)[O-] ZINC001599967333 985931114 /nfs/dbraw/zinc/93/11/14/985931114.db2.gz KHIMCIWOFNCWRS-JTQLQIEISA-N -1 0 300.296 0.316 20 5 DCBDRM CCON(C)S(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001596963981 986164482 /nfs/dbraw/zinc/16/44/82/986164482.db2.gz SVBSKTQMANTAFC-UHFFFAOYSA-N -1 0 304.280 0.865 20 5 DCBDRM C[C@H](C(=O)[O-])N(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)C1CCC1 ZINC001589478021 986989221 /nfs/dbraw/zinc/98/92/21/986989221.db2.gz VXXDDNOUYXHTDU-SECBINFHSA-N -1 0 323.305 0.611 20 5 DCBDRM CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@](OC)(C(=O)[O-])C2)n1 ZINC001597899688 989771807 /nfs/dbraw/zinc/77/18/07/989771807.db2.gz PJHUESRPMPCINV-GFCCVEGCSA-N -1 0 312.282 0.127 20 5 DCBDRM CCn1cc([N+](=O)[O-])c(C(=O)N2CCSC[C@@H]2C(=O)[O-])n1 ZINC001597900176 989772673 /nfs/dbraw/zinc/77/26/73/989772673.db2.gz VLCYWXGTTGWYEQ-MRVPVSSYSA-N -1 0 314.323 0.453 20 5 DCBDRM CN(C)C(=O)C1CCN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC001598117654 990523915 /nfs/dbraw/zinc/52/39/15/990523915.db2.gz BOXYRARACZNSML-UHFFFAOYSA-N -1 0 322.321 0.993 20 5 DCBDRM CC(C)C(=O)N1CCN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC001590935493 990955398 /nfs/dbraw/zinc/95/53/98/990955398.db2.gz KQSMCUOBEKJIIV-UHFFFAOYSA-N -1 0 322.321 0.993 20 5 DCBDRM CN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1C(=O)[O-] ZINC001598437240 991843277 /nfs/dbraw/zinc/84/32/77/991843277.db2.gz OTICVQYISFQTRJ-LLVKDONJSA-N -1 0 320.305 0.987 20 5 DCBDRM CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCCOCC(=O)[O-] ZINC001598530594 992774886 /nfs/dbraw/zinc/77/48/86/992774886.db2.gz NDCPERGOJAKYPD-UHFFFAOYSA-N -1 0 311.294 0.837 20 5 DCBDRM CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC001598542780 992918377 /nfs/dbraw/zinc/91/83/77/992918377.db2.gz FFVPEZORYDQVST-OTSSQURYSA-N -1 0 315.307 0.474 20 5 DCBDRM CN([C@H]1C[C@@H](C(=O)[O-])C1)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC001598543200 992920766 /nfs/dbraw/zinc/92/07/66/992920766.db2.gz XLXGGTLOHFFMJR-OCAPTIKFSA-N -1 0 315.307 0.474 20 5 DCBDRM CNC(=O)[C@@H]1CCN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC001598639338 994292853 /nfs/dbraw/zinc/29/28/53/994292853.db2.gz SJGWULZKIIIJBO-MRVPVSSYSA-N -1 0 321.289 0.501 20 5 DCBDRM C[C@@](NCC(=O)N1CCC1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593231333 994373744 /nfs/dbraw/zinc/37/37/44/994373744.db2.gz 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