smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC001595177302 979776088 /nfs/dbraw/zinc/77/60/88/979776088.db2.gz GNYLXMQOQOXVRZ-SFYZADRCSA-N -2 3 315.307 0.521 20 5 DCBDHL O=C([O-])[C@@H]1C=C[C@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000092181804 193171436 /nfs/dbraw/zinc/17/14/36/193171436.db2.gz VFNKAIAZBBSEAQ-BDAKNGLRSA-N -2 3 312.303 0.902 20 5 DCBDHL C[C@@H](CN(C)c1cc(N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1)C(=O)[O-] ZINC001589845265 1166697542 /nfs/dbraw/zinc/69/75/42/1166697542.db2.gz CGDUGOUBOGPQCY-LURJTMIESA-N -2 3 321.297 0.514 20 5 DCBDHL COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@H](F)C(=O)[O-] ZINC001599622720 994106452 /nfs/dbraw/zinc/10/64/52/994106452.db2.gz BRLRKINBZWMIKK-ZETCQYMHSA-N -2 3 322.270 0.304 20 5 DCBDHL C[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC000054334195 395898225 /nfs/dbraw/zinc/89/82/25/395898225.db2.gz UNFFJFDVTXAYJZ-LURJTMIESA-N -2 3 306.271 0.733 20 5 DCBDHL CO[C@@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])CC(=O)[O-] ZINC000232108393 287064583 /nfs/dbraw/zinc/06/45/83/287064583.db2.gz VFGYJCJLKDRZOZ-MRVPVSSYSA-N -2 3 318.307 0.363 20 5 DCBDHL O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCc2c(=O)[n-]cnc2C1 ZINC000345993575 416182204 /nfs/dbraw/zinc/18/22/04/416182204.db2.gz OHLUNYWEYRHJPJ-UHFFFAOYSA-N -2 3 316.273 0.995 20 5 DCBDHL O=C([O-])CC1CC([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC001601946095 1168943734 /nfs/dbraw/zinc/94/37/34/1168943734.db2.gz ARNOYNIJEYWBEC-UHFFFAOYSA-N -2 3 315.307 0.521 20 5 DCBDHL O=c1nc(O[C@H]2CCN(c3ccc([N+](=O)[O-])cn3)C2)[n-]c(=O)[n-]1 ZINC001227569728 775986688 /nfs/dbraw/zinc/98/66/88/775986688.db2.gz GEAINUCJACNDMU-QMMMGPOBSA-N -2 3 320.265 0.244 20 5 DCBDHL CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C[C@@H](C(=O)[O-])C1 ZINC001598613337 993827202 /nfs/dbraw/zinc/82/72/02/993827202.db2.gz QGBABXIDKXSSCJ-VIFPVBQESA-N -2 3 323.305 0.389 20 5 DCBDHL O=C([O-])[C@H](CCF)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000594571139 396487269 /nfs/dbraw/zinc/48/72/69/396487269.db2.gz PBERCNJLADPUQV-ZETCQYMHSA-N -2 3 306.271 0.686 20 5 DCBDHL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](CCF)C(=O)[O-] ZINC000594573212 396488143 /nfs/dbraw/zinc/48/81/43/396488143.db2.gz KTAJTAPSOMGVAS-MRVPVSSYSA-N -2 3 320.298 0.994 20 5 DCBDHL O=c1[n-]c([C@@H]2CCCN(c3cc[n-]c(=O)c3[N+](=O)[O-])C2)n[nH]1 ZINC000596224445 396735964 /nfs/dbraw/zinc/73/59/64/396735964.db2.gz AGWGWGQSMOVJJS-SSDOTTSWSA-N -2 3 306.282 0.903 20 5 DCBDHL CCOC(=O)c1ncc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)[n-]1 ZINC000619449826 397132854 /nfs/dbraw/zinc/13/28/54/397132854.db2.gz WYPVXHICWVMRHJ-UHFFFAOYSA-N -2 3 321.249 0.848 20 5 DCBDHL CCOC[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000290636191 286169121 /nfs/dbraw/zinc/16/91/21/286169121.db2.gz LSTRKFLVPBRBKU-QMMMGPOBSA-N -2 3 318.307 0.363 20 5 DCBDHL Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000540952339 287911474 /nfs/dbraw/zinc/91/14/74/287911474.db2.gz LNMXUQSBFDALDE-LLVKDONJSA-N -2 3 306.278 0.542 20 5 DCBDHL Cc1sc(S(=O)(=O)[N-]C[C@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000548198759 288120012 /nfs/dbraw/zinc/12/00/12/288120012.db2.gz HNJDEWWDCPQBSV-YFKPBYRVSA-N -2 3 308.337 0.964 20 5 DCBDHL CCO[N-]C(=O)CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001590818528 1167030586 /nfs/dbraw/zinc/03/05/86/1167030586.db2.gz DHHVRKWUOLLGGA-UHFFFAOYSA-N -2 3 307.270 0.255 20 5 DCBDHL CCO[N-]C(=O)CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001590818528 1167030589 /nfs/dbraw/zinc/03/05/89/1167030589.db2.gz DHHVRKWUOLLGGA-UHFFFAOYSA-N -2 3 307.270 0.255 20 5 DCBDHL O=C([O-])c1n[nH]c2c1CN(c1cc[n-]c(=O)c1[N+](=O)[O-])CC2 ZINC001602567957 1169119865 /nfs/dbraw/zinc/11/98/65/1169119865.db2.gz YXYRHHCESQJVOG-UHFFFAOYSA-N -2 3 305.250 0.679 20 5 DCBDHL Nc1cc(N2CC[C@@H](C(=O)[O-])C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001609510810 1171005443 /nfs/dbraw/zinc/00/54/43/1171005443.db2.gz IEHLZJXCPLEYIG-ZCFIWIBFSA-N -2 3 319.281 0.268 20 5 DCBDHL O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCc2nc[n-]c(=O)c2C1 ZINC000183450395 534715008 /nfs/dbraw/zinc/71/50/08/534715008.db2.gz MVVZZZSZKXZASA-UHFFFAOYSA-N -2 3 316.273 0.582 20 5 DCBDHL COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@@H](F)C(=O)[O-] ZINC000837295646 671855408 /nfs/dbraw/zinc/85/54/08/671855408.db2.gz BRLRKINBZWMIKK-SSDOTTSWSA-N -2 3 322.270 0.304 20 5 DCBDHL O=C([O-])C1=NO[C@]2(CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])C2)C1 ZINC001601744601 1168846019 /nfs/dbraw/zinc/84/60/19/1168846019.db2.gz PNOFGCNFLIYKPR-GFCCVEGCSA-N -2 3 308.250 0.505 20 5 DCBDHL CCn1ncn([N-]C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1=O ZINC001605946409 1170031093 /nfs/dbraw/zinc/03/10/93/1170031093.db2.gz YOKBYMNKTVVSIF-UHFFFAOYSA-N -2 3 321.249 0.055 20 5 DCBDHL COC(=O)[C@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C[C@@H]1C(=O)[O-] ZINC001606433350 1170199671 /nfs/dbraw/zinc/19/96/71/1170199671.db2.gz WGTCPZJXOOWTEK-BQBZGAKWSA-N -2 3 311.250 0.005 20 5 DCBDHL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H](C)C(=O)[O-] ZINC000054334134 395898096 /nfs/dbraw/zinc/89/80/96/395898096.db2.gz NSGBGKYQMBBGBI-QMMMGPOBSA-N -2 3 302.308 0.902 20 5 DCBDHL CCOC(=O)c1cnc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)[n-]1 ZINC000590356007 396762723 /nfs/dbraw/zinc/76/27/23/396762723.db2.gz OYXFNZQXSJRLKF-UHFFFAOYSA-N -2 3 321.249 0.848 20 5 DCBDHL CCOC(=O)c1c[n-]c(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)n1 ZINC000590356007 396762724 /nfs/dbraw/zinc/76/27/24/396762724.db2.gz OYXFNZQXSJRLKF-UHFFFAOYSA-N -2 3 321.249 0.848 20 5 DCBDHL Cc1ccc(S(=O)(=O)[N-]C[C@@](C)(O)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000417441007 262252321 /nfs/dbraw/zinc/25/23/21/262252321.db2.gz PRLYYQIANPSDJZ-LLVKDONJSA-N -2 3 318.307 0.017 20 5 DCBDHL Cc1sc(S(=O)(=O)[N-]C[C@@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000548198749 288120064 /nfs/dbraw/zinc/12/00/64/288120064.db2.gz HNJDEWWDCPQBSV-RXMQYKEDSA-N -2 3 308.337 0.964 20 5 DCBDHL Cc1ccc(S(=O)(=O)[N-][C@H](CCO)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000548526815 288150443 /nfs/dbraw/zinc/15/04/43/288150443.db2.gz JDXUFLASAOETIX-MRVPVSSYSA-N -2 3 318.307 0.017 20 5 DCBDHL C[C@](O)(CNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-])C(=O)[O-] ZINC001589992300 1166738347 /nfs/dbraw/zinc/73/83/47/1166738347.db2.gz YEAMOYZLJBVVJJ-NSHDSACASA-N -2 3 308.254 0.022 20 5 DCBDHL C[C@@](O)(CNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-])C(=O)[O-] ZINC001589992299 1166738669 /nfs/dbraw/zinc/73/86/69/1166738669.db2.gz YEAMOYZLJBVVJJ-LLVKDONJSA-N -2 3 308.254 0.022 20 5 DCBDHL O=C(NCCCc1c[n-][nH]c1=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC001470579565 1016457644 /nfs/dbraw/zinc/45/76/44/1016457644.db2.gz MJXXCRGNUBHNJK-MRVPVSSYSA-N -2 3 306.278 0.542 20 5 DCBDHL CN(C)CCN(CC(=O)[O-])C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000566526010 291310971 /nfs/dbraw/zinc/31/09/71/291310971.db2.gz CWCNFNXMTMLFBO-UHFFFAOYSA-N -2 3 311.294 0.389 20 5 DCBDHL COC(=O)Cc1nnc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)[n-]1 ZINC000357041393 416024771 /nfs/dbraw/zinc/02/47/71/416024771.db2.gz FBMLLWIQTYNNNI-UHFFFAOYSA-N -2 3 321.249 0.386 20 5 DCBDHL COC(=O)Cc1n[n-]c(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)n1 ZINC000357041393 416024775 /nfs/dbraw/zinc/02/47/75/416024775.db2.gz FBMLLWIQTYNNNI-UHFFFAOYSA-N -2 3 321.249 0.386 20 5 DCBDHL COC(=O)Cc1nc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)n[n-]1 ZINC000357041393 416024780 /nfs/dbraw/zinc/02/47/80/416024780.db2.gz FBMLLWIQTYNNNI-UHFFFAOYSA-N -2 3 321.249 0.386 20 5 DCBDHL COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](CF)C(=O)[O-] ZINC000563883924 288711243 /nfs/dbraw/zinc/71/12/43/288711243.db2.gz ZFXZFXPADRZJQY-SSDOTTSWSA-N -2 3 322.270 0.304 20 5 DCBDHL O=C([O-])c1ccc([N+](=O)[O-])c(N2CCc3c(=O)[n-]cnc3C2)n1 ZINC001602404249 1169073858 /nfs/dbraw/zinc/07/38/58/1169073858.db2.gz HWNUHABKIVGYFF-UHFFFAOYSA-N -2 3 317.261 0.746 20 5 DCBDHL Cc1[n-][nH]c(=O)c1CCNc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC001604616010 1169632479 /nfs/dbraw/zinc/63/24/79/1169632479.db2.gz GCTGDZISLSTZIK-MRVPVSSYSA-N -2 3 321.293 0.920 20 5 DCBDHL COCCC[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000567053291 291334946 /nfs/dbraw/zinc/33/49/46/291334946.db2.gz YKSKDEFZRBFAGZ-UHFFFAOYSA-N -2 3 318.307 0.608 20 5 DCBDHL COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@H](C)C(=O)[O-] ZINC000054333985 395897375 /nfs/dbraw/zinc/89/73/75/395897375.db2.gz ZMJFHQMRZUWOGK-ZETCQYMHSA-N -2 3 318.307 0.602 20 5 DCBDHL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCOCC(=O)[O-] ZINC000093228524 158118762 /nfs/dbraw/zinc/11/87/62/158118762.db2.gz RQOMMPOCXZGMKS-UHFFFAOYSA-N -2 3 318.307 0.283 20 5 DCBDHL CCOC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])n[n-]1 ZINC000548461003 416687626 /nfs/dbraw/zinc/68/76/26/416687626.db2.gz NMXRDKZXZYYIFV-UHFFFAOYSA-N -2 3 320.261 1.453 20 5 DCBDHL CCOC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])[n-]n1 ZINC000548461003 416687629 /nfs/dbraw/zinc/68/76/29/416687629.db2.gz NMXRDKZXZYYIFV-UHFFFAOYSA-N -2 3 320.261 1.453 20 5 DCBDHL Cc1cc(S(=O)(=O)[N-]CCOCC(=O)[O-])c([N+](=O)[O-])s1 ZINC001600299905 1168161753 /nfs/dbraw/zinc/16/17/53/1168161753.db2.gz NMYQRYKEKNSUCQ-UHFFFAOYSA-N -2 3 324.336 0.344 20 5 DCBDHL O=c1nc(O[C@H]2CCN(c3ccccc3[N+](=O)[O-])C2)[n-]c(=O)[n-]1 ZINC001227570119 775985650 /nfs/dbraw/zinc/98/56/50/775985650.db2.gz IKSYKFDLSHZZAK-QMMMGPOBSA-N -2 3 319.277 0.849 20 5 DCBDHL CC(C)C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)C(=O)[O-] ZINC001603037688 972098859 /nfs/dbraw/zinc/09/88/59/972098859.db2.gz CYLRQBZIYFQMEZ-SECBINFHSA-N -2 3 317.323 0.767 20 5 DCBDHL Cc1[n-][nH]c(=O)c1CCNc1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001594113898 998230706 /nfs/dbraw/zinc/23/07/06/998230706.db2.gz PSROGMDELQMEDJ-SSDOTTSWSA-N -2 3 307.266 0.612 20 5 DCBDHL O=C(NCc1nc([O-])cc(=O)[n-]1)c1cc(F)cc([N+](=O)[O-])c1 ZINC001557703863 1012294606 /nfs/dbraw/zinc/29/46/06/1012294606.db2.gz QBLKIUGTGYLAAD-UHFFFAOYSA-N -2 3 308.225 0.865 20 5 DCBDHL CO[C@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])CC(=O)[O-] ZINC000232108395 287064452 /nfs/dbraw/zinc/06/44/52/287064452.db2.gz VFGYJCJLKDRZOZ-QMMMGPOBSA-N -2 3 318.307 0.363 20 5 DCBDHL O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCc2nc[n-]c(=O)c2C1 ZINC000185469324 534719867 /nfs/dbraw/zinc/71/98/67/534719867.db2.gz OAGCJBOPQBHDDA-UHFFFAOYSA-N -2 3 316.273 0.582 20 5 DCBDHL Cc1sc(S(=O)(=O)[N-]C[C@@H](F)C(=O)[O-])cc1[N+](=O)[O-] ZINC000837297077 671855817 /nfs/dbraw/zinc/85/58/17/671855817.db2.gz YMPMFDKJABFGJK-RXMQYKEDSA-N -2 3 312.300 0.666 20 5 DCBDHL O=[N+]([O-])c1cc2c(cc1NCCOP(=O)([O-])[O-])CNC2 ZINC001168592145 752664757 /nfs/dbraw/zinc/66/47/57/752664757.db2.gz KDHJOOOBAAGPBC-UHFFFAOYSA-N -2 3 303.211 0.719 20 5 DCBDHL O=C([N-]Cc1nc(=O)o[n-]1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001320707695 945986012 /nfs/dbraw/zinc/98/60/12/945986012.db2.gz LXBRIAFDQGGAGI-UHFFFAOYSA-N -2 3 314.204 0.679 20 5 DCBDHL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](C(=O)[O-])[C@H](C)O ZINC000035346812 395720264 /nfs/dbraw/zinc/72/02/64/395720264.db2.gz CXHSHOQQHBNIAX-CBAPKCEASA-N -2 3 318.307 0.016 20 5 DCBDHL Cc1ccc(S(=O)(=O)[N-]C[C@H](C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000548199435 288120091 /nfs/dbraw/zinc/12/00/91/288120091.db2.gz WIWJEICUMXCOOD-QMMMGPOBSA-N -2 3 302.308 0.902 20 5 DCBDHL COc1ccc(S(=O)(=O)[N-][C@@H](CF)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000583810402 337336110 /nfs/dbraw/zinc/33/61/10/337336110.db2.gz MYVSVOVQNLKKNV-ZETCQYMHSA-N -2 3 322.270 0.304 20 5 DCBDHL C[C@H](CN(C)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C(=O)[O-] ZINC001603509850 1169313530 /nfs/dbraw/zinc/31/35/30/1169313530.db2.gz KRRBLUBOQNDBFK-SSDOTTSWSA-N -2 3 306.282 0.932 20 5 DCBDHL Cc1cc(S(=O)(=O)[N-]CCC(=O)[O-])c(F)cc1[N+](=O)[O-] ZINC001600298367 970794411 /nfs/dbraw/zinc/79/44/11/970794411.db2.gz FLJCVPKHQOBWGI-UHFFFAOYSA-N -2 3 306.271 0.795 20 5 DCBDHL CC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC)C(=O)[O-] ZINC000035097936 395718699 /nfs/dbraw/zinc/71/86/99/395718699.db2.gz RSHRYUTWEUPHRM-MRVPVSSYSA-N -2 3 318.307 0.745 20 5 DCBDHL COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](C)CC(=O)[O-] ZINC000037465470 395727502 /nfs/dbraw/zinc/72/75/02/395727502.db2.gz QSZMYKDPTIUGKR-ZETCQYMHSA-N -2 3 318.307 0.745 20 5 DCBDHL Cc1ccc(C)c(S(=O)(=O)[N-]CCC(=O)[O-])c1[N+](=O)[O-] ZINC000262335059 396126177 /nfs/dbraw/zinc/12/61/77/396126177.db2.gz FZNNTRPUZJRIGP-UHFFFAOYSA-N -2 3 302.308 0.965 20 5 DCBDHL O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000591741090 396995463 /nfs/dbraw/zinc/99/54/63/396995463.db2.gz XBQWAPPAVTYYDK-LJGSYFOKSA-N -2 3 318.282 0.875 20 5 DCBDHL COc1ccc(S(=O)(=O)[N-][C@@H](C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000020001424 415153440 /nfs/dbraw/zinc/15/34/40/415153440.db2.gz ZLXALYWKGDZDMY-LURJTMIESA-N -2 3 304.280 0.355 20 5 DCBDHL Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCC(=O)[O-])c1C ZINC000261731647 416335447 /nfs/dbraw/zinc/33/54/47/416335447.db2.gz SMOHFGSWWGRXJE-UHFFFAOYSA-N -2 3 302.308 0.965 20 5 DCBDHL Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000544561921 416656982 /nfs/dbraw/zinc/65/69/82/416656982.db2.gz JNOPUDYHQPWDTA-VIFPVBQESA-N -2 3 306.278 0.542 20 5 DCBDHL O=c1[n-]c(Sc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])n[nH]1 ZINC001609601664 1171040034 /nfs/dbraw/zinc/04/00/34/1171040034.db2.gz TZPWPCWFZGCULK-UHFFFAOYSA-N -2 3 306.267 0.750 20 5 DCBDHL O=c1[n-]c(Sc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])n[nH]1 ZINC001609601664 1171040042 /nfs/dbraw/zinc/04/00/42/1171040042.db2.gz TZPWPCWFZGCULK-UHFFFAOYSA-N -2 3 306.267 0.750 20 5 DCBDHL O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCC(c2nn[n-]n2)CC1 ZINC001152485770 769574990 /nfs/dbraw/zinc/57/49/90/769574990.db2.gz ABABVSHKTWHXIS-UHFFFAOYSA-N -2 3 318.293 0.833 20 5 DCBDHL Nc1[nH]c(=O)[n-]c(=O)c1Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001176673865 770150063 /nfs/dbraw/zinc/15/00/63/770150063.db2.gz AGBIEJUPLQCNGX-UHFFFAOYSA-N -2 3 307.222 0.820 20 5 DCBDHL COc1c([O-])ccc(CN2CCOC[C@@H]2C(=O)[O-])c1[N+](=O)[O-] ZINC001599344154 997972850 /nfs/dbraw/zinc/97/28/50/997972850.db2.gz DXNWJERQJOYAPN-SECBINFHSA-N -2 3 312.278 0.594 20 5 DCBDHL O=C(NCCCc1c[n-][nH]c1=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC001470580922 1016462703 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ZINC000572518269 397067902 /nfs/dbraw/zinc/06/79/02/397067902.db2.gz IRKGYLMTXXJESL-ZETCQYMHSA-N -2 3 322.270 0.304 20 5 DCBDHL Cc1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000548208079 288121230 /nfs/dbraw/zinc/12/12/30/288121230.db2.gz RHDYSXWWIQOVGZ-XCBNKYQSSA-N -2 3 318.307 0.016 20 5 DCBDHL O=C([O-])c1cn([C@H]2CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])C2)nn1 ZINC001602500432 1169096429 /nfs/dbraw/zinc/09/64/29/1169096429.db2.gz FDIKGIODDNXYQA-ZETCQYMHSA-N -2 3 320.265 0.437 20 5 DCBDHL O=C(Cn1cc([N+](=O)[O-])c(-c2nnn[n-]2)n1)c1ccc([O-])cc1 ZINC001606616574 1170244152 /nfs/dbraw/zinc/24/41/52/1170244152.db2.gz XPHWYYMGZZFSHL-UHFFFAOYSA-N -2 3 315.249 0.560 20 5 DCBDHL O=C(Cn1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1)c1ccc([O-])cc1 ZINC001606616574 1170244156 /nfs/dbraw/zinc/24/41/56/1170244156.db2.gz XPHWYYMGZZFSHL-UHFFFAOYSA-N -2 3 315.249 0.560 20 5 DCBDHL Cc1cc(S(=O)(=O)[N-]C[C@@H](O)CC(=O)[O-])c([N+](=O)[O-])s1 ZINC001600299998 1168161807 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COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C1(C(=O)[O-])CC1 ZINC000619708654 397178553 /nfs/dbraw/zinc/17/85/53/397178553.db2.gz WHWCPWADMPXIFG-UHFFFAOYSA-N -2 3 316.291 0.499 20 5 DCBDHL Cc1cc(=O)[n-]c([C@@H](C)n2cc([N+](=O)[O-])c(-c3nnn[n-]3)n2)n1 ZINC001592055804 1167445782 /nfs/dbraw/zinc/44/57/82/1167445782.db2.gz HAJDNZMAMKXNPK-ZCFIWIBFSA-N -2 3 317.269 0.385 20 5 DCBDHL C[C@@H](CN(C)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C(=O)[O-] ZINC001603509851 1169314646 /nfs/dbraw/zinc/31/46/46/1169314646.db2.gz KRRBLUBOQNDBFK-ZETCQYMHSA-N -2 3 306.282 0.932 20 5 DCBDHL COc1c(F)cc(S(=O)(=O)[N-][C@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000262367626 396131079 /nfs/dbraw/zinc/13/10/79/396131079.db2.gz LMLQHIDAKSWFNW-RXMQYKEDSA-N -2 3 322.270 0.494 20 5 DCBDHL COC(=O)Cc1nnc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])[n-]1 ZINC000353080752 415431256 /nfs/dbraw/zinc/43/12/56/415431256.db2.gz CMDMPUUMAJCULZ-UHFFFAOYSA-N -2 3 321.249 0.386 20 5 DCBDHL COC(=O)Cc1n[n-]c(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])n1 ZINC000353080752 415431263 /nfs/dbraw/zinc/43/12/63/415431263.db2.gz CMDMPUUMAJCULZ-UHFFFAOYSA-N -2 3 321.249 0.386 20 5 DCBDHL COC(=O)Cc1nnc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])[n-]1 ZINC000436968450 416576412 /nfs/dbraw/zinc/57/64/12/416576412.db2.gz UEZOKAYEZZSLEZ-UHFFFAOYSA-N -2 3 321.249 0.386 20 5 DCBDHL COC(=O)Cc1n[n-]c(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])n1 ZINC000436968450 416576417 /nfs/dbraw/zinc/57/64/17/416576417.db2.gz UEZOKAYEZZSLEZ-UHFFFAOYSA-N -2 3 321.249 0.386 20 5 DCBDHL COC(=O)Cc1nc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])n[n-]1 ZINC000436968450 416576419 /nfs/dbraw/zinc/57/64/19/416576419.db2.gz UEZOKAYEZZSLEZ-UHFFFAOYSA-N -2 3 321.249 0.386 20 5 DCBDHL O=c1[n-]c(C[N-]c2nc(-c3ccc([N+](=O)[O-])cc3)no2)n[nH]1 ZINC000446861751 416952966 /nfs/dbraw/zinc/95/29/66/416952966.db2.gz NPVOCISIDGYMTE-UHFFFAOYSA-N -2 3 303.238 1.081 20 5 DCBDHL CCO[N-]C(=O)C[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000846494195 672318592 /nfs/dbraw/zinc/31/85/92/672318592.db2.gz QOJAFZQDGUTUAN-UHFFFAOYSA-N -2 3 317.248 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Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000552154889 288266854 /nfs/dbraw/zinc/26/68/54/288266854.db2.gz MKTOYNQRKZUZIP-VIFPVBQESA-N -2 3 306.278 0.542 20 5 DCBDHL O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1[N-]c1ccn(CCO)n1 ZINC000823629853 671403176 /nfs/dbraw/zinc/40/31/76/671403176.db2.gz JTFVQSSEYVKMAN-UHFFFAOYSA-N -2 3 317.269 0.102 20 5 DCBDHL CN(Cc1n[n-]c(=O)o1)c1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001591151607 1167117520 /nfs/dbraw/zinc/11/75/20/1167117520.db2.gz AAMCXMCYKIYFHU-UHFFFAOYSA-N -2 3 318.253 0.500 20 5 DCBDHL CN(Cc1n[n-]c(=O)o1)c1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001591151607 1167117527 /nfs/dbraw/zinc/11/75/27/1167117527.db2.gz AAMCXMCYKIYFHU-UHFFFAOYSA-N -2 3 318.253 0.500 20 5 DCBDHL CN1CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C[C@H](C(=O)[O-])C1 ZINC001598611325 993779131 /nfs/dbraw/zinc/77/91/31/993779131.db2.gz QYZBRHCKASEHJE-SNVBAGLBSA-N -2 3 323.305 0.389 20 5 DCBDHL COc1ccc(S(=O)(=O)[N-][C@@H](C)CC(=O)[O-])c([N+](=O)[O-])c1 ZINC000037417413 286885186 /nfs/dbraw/zinc/88/51/86/286885186.db2.gz YJCWULXFHNMZKV-ZETCQYMHSA-N -2 3 318.307 0.745 20 5 DCBDHL Cc1[n-][nH]c(=O)c1CCNC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000532861231 416461202 /nfs/dbraw/zinc/46/12/02/416461202.db2.gz CWKAJSNSAKOHNT-QMMMGPOBSA-N -2 3 306.278 0.542 20 5 DCBDHL Nc1nccc(C(=O)[N-]c2n[n-]c(C(F)(F)F)n2)c1[N+](=O)[O-] ZINC000548055558 416685001 /nfs/dbraw/zinc/68/50/01/416685001.db2.gz NTNXZMSLQGMXOM-UHFFFAOYSA-N -2 3 317.187 0.961 20 5 DCBDHL O=C(N=c1nc(-c2cccnc2)[n-]s1)c1cc([N+](=O)[O-])[n-]n1 ZINC000355300580 261327837 /nfs/dbraw/zinc/32/78/37/261327837.db2.gz AVEVQHYGUHUSPX-UHFFFAOYSA-N -2 3 317.290 0.906 20 5 DCBDHL O=C(N=c1nc(-c2cccnc2)[n-]s1)c1cc([N+](=O)[O-])n[n-]1 ZINC000355300580 261327840 /nfs/dbraw/zinc/32/78/40/261327840.db2.gz AVEVQHYGUHUSPX-UHFFFAOYSA-N -2 3 317.290 0.906 20 5 DCBDHL O=C([O-])c1ccc(S(=O)(=O)[N-]CC2CC2)c([N+](=O)[O-])c1 ZINC000563230143 288651570 /nfs/dbraw/zinc/65/15/70/288651570.db2.gz LZEWQOHVENFTSK-UHFFFAOYSA-N -2 3 300.292 0.981 20 5 DCBDHL CN(C)CC[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000570217796 332728019 /nfs/dbraw/zinc/72/80/19/332728019.db2.gz YFZDWCCWROLSPJ-UHFFFAOYSA-N -2 3 317.323 0.133 20 5 DCBDHL O=C([O-])[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CCO1 ZINC001593275641 1167752085 /nfs/dbraw/zinc/75/20/85/1167752085.db2.gz DLZQKQHOCRBOMJ-JTQLQIEISA-N -2 3 320.265 0.065 20 5 DCBDHL C[C@](O)(CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C(=O)[O-] ZINC001603690588 1169354946 /nfs/dbraw/zinc/35/49/46/1169354946.db2.gz MIZXEKAUKIUJQK-NSHDSACASA-N -2 3 308.254 0.022 20 5 DCBDHL C[C@](O)(CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C(=O)[O-] ZINC001603690588 1169354954 /nfs/dbraw/zinc/35/49/54/1169354954.db2.gz MIZXEKAUKIUJQK-NSHDSACASA-N -2 3 308.254 0.022 20 5 DCBDHL O=C([O-])Cn1cnc([N-]C(=O)c2cc(F)cc([N+](=O)[O-])c2)n1 ZINC001595160746 952193593 /nfs/dbraw/zinc/19/35/93/952193593.db2.gz WKUMAUQRADQEOO-UHFFFAOYSA-N -2 3 309.213 0.662 20 5 DCBDHL O=C([O-])[C@@H](CC(F)F)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000275359585 212290557 /nfs/dbraw/zinc/29/05/57/212290557.db2.gz XGAAJDGYEYRAOH-ZCFIWIBFSA-N -2 3 324.261 0.982 20 5 DCBDHL COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCCC(=O)[O-] ZINC000021044524 182263021 /nfs/dbraw/zinc/26/30/21/182263021.db2.gz ITOIVQIVEZXSQR-UHFFFAOYSA-N -2 3 318.307 0.747 20 5 DCBDHL CC[C@@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000087500086 395706295 /nfs/dbraw/zinc/70/62/95/395706295.db2.gz PJEHMTZCUYBNRM-QMMMGPOBSA-N -2 3 302.308 0.984 20 5 DCBDHL COC[C@@H]([N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])C(=O)[O-] ZINC000548540109 288152077 /nfs/dbraw/zinc/15/20/77/288152077.db2.gz AASBSKSWOCZQMR-MRVPVSSYSA-N -2 3 318.307 0.281 20 5 DCBDHL Cc1ccc(S(=O)(=O)[N-]C2(C(=O)[O-])CC2)c([N+](=O)[O-])c1 ZINC000577828365 341940831 /nfs/dbraw/zinc/94/08/31/341940831.db2.gz UMBHBABSOWCIPV-UHFFFAOYSA-N -2 3 300.292 0.799 20 5 DCBDHL O=C([O-])c1ccc([N+](=O)[O-])c(NCCCc2c[n-][nH]c2=O)n1 ZINC001602405077 1169073256 /nfs/dbraw/zinc/07/32/56/1169073256.db2.gz KBBPRSHRTAINRH-ZETCQYMHSA-N -2 3 307.266 0.612 20 5 DCBDHL C[C@]1(C(=O)[O-])CCN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001603751181 1169379849 /nfs/dbraw/zinc/37/98/49/1169379849.db2.gz BSLKTOHCLBOVSL-LBPRGKRZSA-N -2 3 319.281 0.471 20 5 DCBDHL C[C@]1(C(=O)[O-])CCN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001603751181 1169379857 /nfs/dbraw/zinc/37/98/57/1169379857.db2.gz BSLKTOHCLBOVSL-LBPRGKRZSA-N -2 3 319.281 0.471 20 5 DCBDHL O=C(NCc1nc([O-])cc(=O)[n-]1)c1c(F)cccc1[N+](=O)[O-] ZINC001647868642 1173060086 /nfs/dbraw/zinc/06/00/86/1173060086.db2.gz UOYQFPOIBSFXTH-UHFFFAOYSA-N -2 3 308.225 0.865 20 5 DCBDHL Cc1ncc([N+](=O)[O-])n1C[C@@H](C)Oc1[n-]c(=O)nc2cn[n-]c21 ZINC001233939518 769503514 /nfs/dbraw/zinc/50/35/14/769503514.db2.gz KIZLXVYDBPBRGL-ZCFIWIBFSA-N -2 3 319.281 0.527 20 5 DCBDHL CN1CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C[C@@H](C(=O)[O-])C1 ZINC001598611323 993779826 /nfs/dbraw/zinc/77/98/26/993779826.db2.gz QYZBRHCKASEHJE-JTQLQIEISA-N -2 3 323.305 0.389 20 5 DCBDHL COC[C@@H]([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000158590967 291232042 /nfs/dbraw/zinc/23/20/42/291232042.db2.gz MBUSIUMIBODTIP-MRVPVSSYSA-N -2 3 318.307 0.281 20 5 DCBDHL CC[C@H]([N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])C(=O)[O-] ZINC000035099260 395718410 /nfs/dbraw/zinc/71/84/10/395718410.db2.gz MLIAOBYUSJUTSI-QMMMGPOBSA-N -2 3 318.307 0.745 20 5 DCBDHL C[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H](C)C(=O)[O-] ZINC000133180850 395928475 /nfs/dbraw/zinc/92/84/75/395928475.db2.gz IYVDXRYQKWYKTA-YUMQZZPRSA-N -2 3 302.308 0.982 20 5 DCBDHL O=C([O-])[C@]12COC[C@H]1CN(Cc1cc([O-])ccc1[N+](=O)[O-])C2 ZINC000595886605 396675364 /nfs/dbraw/zinc/67/53/64/396675364.db2.gz XZZPXJVCNFVZMU-QMTHXVAHSA-N -2 3 308.290 0.833 20 5 DCBDHL O=C(NCCCc1cc(=O)[nH][n-]1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000588875821 396697591 /nfs/dbraw/zinc/69/75/91/396697591.db2.gz HAHFGEPHAMSSIY-UHFFFAOYSA-N -2 3 306.278 0.686 20 5 DCBDHL O=C(CC[C@@H]1NC(=O)[N-]C1=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000611294712 396851214 /nfs/dbraw/zinc/85/12/14/396851214.db2.gz XXDZZLHOOZKNPM-ZETCQYMHSA-N -2 3 308.250 0.227 20 5 DCBDHL O=C([N-]c1n[n-]c(-c2ccccn2)n1)c1n[nH]cc1[N+](=O)[O-] ZINC000343154914 415478140 /nfs/dbraw/zinc/47/81/40/415478140.db2.gz LWYAXLZRGPLEBI-UHFFFAOYSA-N -2 3 300.238 0.750 20 5 DCBDHL Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000552154888 288266891 /nfs/dbraw/zinc/26/68/91/288266891.db2.gz MKTOYNQRKZUZIP-SECBINFHSA-N -2 3 306.278 0.542 20 5 DCBDHL O=C([O-])c1ccc([N+](=O)[O-])c(NCCCc2c[n-][nH]c2=O)n1 ZINC001602405076 1169074203 /nfs/dbraw/zinc/07/42/03/1169074203.db2.gz KBBPRSHRTAINRH-SSDOTTSWSA-N -2 3 307.266 0.612 20 5 DCBDHL C[C@@](O)(CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C(=O)[O-] ZINC001603690587 1169355513 /nfs/dbraw/zinc/35/55/13/1169355513.db2.gz MIZXEKAUKIUJQK-LLVKDONJSA-N -2 3 308.254 0.022 20 5 DCBDHL C[C@@](O)(CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C(=O)[O-] ZINC001603690587 1169355526 /nfs/dbraw/zinc/35/55/26/1169355526.db2.gz MIZXEKAUKIUJQK-LLVKDONJSA-N -2 3 308.254 0.022 20 5 DCBDHL O=C(NCCCc1c[n-][nH]c1=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC001641483992 1171917704 /nfs/dbraw/zinc/91/77/04/1171917704.db2.gz VROIQRBDWDVYFQ-SECBINFHSA-N -2 3 306.278 0.542 20 5 DCBDHL O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCCCCP(=O)([O-])[O-])C2 ZINC001225018609 775631403 /nfs/dbraw/zinc/63/14/03/775631403.db2.gz CCDMKOLECQGGTI-QMMMGPOBSA-N -2 3 321.226 0.527 20 5 DCBDHL Cc1c([N+](=O)[O-])ccc(F)c1[N-]C(=O)c1cn(CC(=O)[O-])nn1 ZINC001594267766 959754753 /nfs/dbraw/zinc/75/47/53/959754753.db2.gz HHSSVHRZTFZZLZ-UHFFFAOYSA-N -2 3 323.240 0.971 20 5 DCBDHL Cc1ccnc(C[N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)n1 ZINC001464082754 1013196652 /nfs/dbraw/zinc/19/66/52/1013196652.db2.gz PNRWVCQGNOWBDU-UHFFFAOYSA-N -2 3 324.318 0.877 20 5 DCBDHL Cc1[n-][nH]c(=O)c1CCNc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001594113279 998224040 /nfs/dbraw/zinc/22/40/40/998224040.db2.gz HRBQDEYXOJKILP-QMMMGPOBSA-N -2 3 307.266 0.612 20 5 DCBDHL C[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H](C)C(=O)[O-] ZINC000133180436 395928111 /nfs/dbraw/zinc/92/81/11/395928111.db2.gz IYVDXRYQKWYKTA-JGVFFNPUSA-N -2 3 302.308 0.982 20 5 DCBDHL CN(Cc1nc(=O)o[n-]1)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591154300 1167119892 /nfs/dbraw/zinc/11/98/92/1167119892.db2.gz VBMZUECZJSVLCX-UHFFFAOYSA-N -2 3 318.253 0.088 20 5 DCBDHL CN(Cc1nc(=O)o[n-]1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591154300 1167119898 /nfs/dbraw/zinc/11/98/98/1167119898.db2.gz VBMZUECZJSVLCX-UHFFFAOYSA-N -2 3 318.253 0.088 20 5 DCBDHL O=c1[n-]c(Sc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)n[nH]1 ZINC001593479634 1167865836 /nfs/dbraw/zinc/86/58/36/1167865836.db2.gz OIKAYLKZEAQHKR-UHFFFAOYSA-N -2 3 306.267 0.750 20 5 DCBDHL O=c1[n-]c(Sc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)n[nH]1 ZINC001593479634 1167865851 /nfs/dbraw/zinc/86/58/51/1167865851.db2.gz OIKAYLKZEAQHKR-UHFFFAOYSA-N -2 3 306.267 0.750 20 5 DCBDHL O=C([O-])[C@H]1CCN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1 ZINC001606961772 1170341006 /nfs/dbraw/zinc/34/10/06/1170341006.db2.gz XWNVQKLYBWNOSE-QMMMGPOBSA-N -2 3 304.266 0.686 20 5 DCBDHL O=C([O-])[C@H]1CCN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1 ZINC001606961772 1170341010 /nfs/dbraw/zinc/34/10/10/1170341010.db2.gz XWNVQKLYBWNOSE-QMMMGPOBSA-N -2 3 304.266 0.686 20 5 DCBDHL Cc1n[nH]c(C(=O)NCCNc2cc[n-]c(=O)c2[N+](=O)[O-])c1[O-] ZINC001093585064 768638775 /nfs/dbraw/zinc/63/87/75/768638775.db2.gz ADSBQBCAHJQAFF-UHFFFAOYSA-N -2 3 322.281 0.274 20 5 DCBDHL CCC(CC)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)C(=O)[O-] ZINC001595101881 979413220 /nfs/dbraw/zinc/41/32/20/979413220.db2.gz OYUHPJAVPAGUKF-UHFFFAOYSA-N -2 3 317.323 0.912 20 5 DCBDHL CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC000042266224 183248245 /nfs/dbraw/zinc/24/82/45/183248245.db2.gz QCXUMVYWYCYXMW-MRVPVSSYSA-N -2 3 306.271 0.875 20 5 DCBDHL Cc1ccc(S(=O)(=O)[N-]C[C@@H](C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000548199434 288120103 /nfs/dbraw/zinc/12/01/03/288120103.db2.gz WIWJEICUMXCOOD-MRVPVSSYSA-N -2 3 302.308 0.902 20 5 DCBDHL CN1CCN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])C[C@@H](C(=O)[O-])C1 ZINC001606236202 1170129968 /nfs/dbraw/zinc/12/99/68/1170129968.db2.gz TWHMZXDRMGQEQV-VIFPVBQESA-N -2 3 323.305 0.389 20 5 DCBDHL O=C([O-])[C@@H](CC1CC1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC001608534173 1170696844 /nfs/dbraw/zinc/69/68/44/1170696844.db2.gz NXBJJNJFOZJOFQ-SECBINFHSA-N -2 3 315.307 0.521 20 5 DCBDHL C[C@@]1(C(=O)[O-])CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001609143039 1170823851 /nfs/dbraw/zinc/82/38/51/1170823851.db2.gz WKSSYXSCRKEDRZ-GFCCVEGCSA-N -2 3 319.281 0.471 20 5 DCBDHL C[C@@]1(C(=O)[O-])CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001609143039 1170823856 /nfs/dbraw/zinc/82/38/56/1170823856.db2.gz WKSSYXSCRKEDRZ-GFCCVEGCSA-N -2 3 319.281 0.471 20 5 DCBDHL O=C([O-])C1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CCC1 ZINC001605958375 972926528 /nfs/dbraw/zinc/92/65/28/972926528.db2.gz UPPUCGKHMANVDT-UHFFFAOYSA-N -2 3 315.307 0.523 20 5 DCBDHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000054504795 395902020 /nfs/dbraw/zinc/90/20/20/395902020.db2.gz NKBVEBVZVRTAAS-SNVBAGLBSA-N -2 3 300.292 0.736 20 5 DCBDHL COC(=O)Cc1nnc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)[n-]1 ZINC000436973493 416577763 /nfs/dbraw/zinc/57/77/63/416577763.db2.gz XYEKYEVNDNHAAM-UHFFFAOYSA-N -2 3 321.249 0.386 20 5 DCBDHL COC(=O)Cc1n[n-]c(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)n1 ZINC000436973493 416577768 /nfs/dbraw/zinc/57/77/68/416577768.db2.gz XYEKYEVNDNHAAM-UHFFFAOYSA-N -2 3 321.249 0.386 20 5 DCBDHL COC(=O)Cc1nc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)n[n-]1 ZINC000436973493 416577772 /nfs/dbraw/zinc/57/77/72/416577772.db2.gz XYEKYEVNDNHAAM-UHFFFAOYSA-N -2 3 321.249 0.386 20 5 DCBDHL COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](CF)C(=O)[O-] ZINC000563883925 288711246 /nfs/dbraw/zinc/71/12/46/288711246.db2.gz ZFXZFXPADRZJQY-ZETCQYMHSA-N -2 3 322.270 0.304 20 5 DCBDHL O=C([N-]Cc1n[nH]c(=O)[n-]1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778307398 668897178 /nfs/dbraw/zinc/89/71/78/668897178.db2.gz QTLCEYYKQNCQFF-UHFFFAOYSA-N -2 3 313.220 0.827 20 5 DCBDHL CC(C)[C@H](CNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-])C(=O)[O-] ZINC001589461697 1166659360 /nfs/dbraw/zinc/65/93/60/1166659360.db2.gz ZRPJUGIXHMQECT-QMMMGPOBSA-N -2 3 321.297 0.939 20 5 DCBDHL CC(C)[C@H](CNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-])C(=O)[O-] ZINC001589461697 1166659362 /nfs/dbraw/zinc/65/93/62/1166659362.db2.gz ZRPJUGIXHMQECT-QMMMGPOBSA-N -2 3 321.297 0.939 20 5 DCBDHL O=C([O-])C1=CC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC001608586598 1170708327 /nfs/dbraw/zinc/70/83/27/1170708327.db2.gz NXWFNZUKEAEIDQ-MRVPVSSYSA-N -2 3 313.291 0.442 20 5 DCBDHL O=C([O-])c1ccnc(NCCCc2c[n-][nH]c2=O)c1[N+](=O)[O-] ZINC001608953704 1170774615 /nfs/dbraw/zinc/77/46/15/1170774615.db2.gz SAIZMVXAPFVFEC-ZETCQYMHSA-N -2 3 307.266 0.612 20 5 DCBDHL Cc1cc(S(=O)(=O)[N-]C2(C(=O)[O-])CC2)c([N+](=O)[O-])s1 ZINC001600296813 1168160252 /nfs/dbraw/zinc/16/02/52/1168160252.db2.gz GBMPNFNFHNDQHH-UHFFFAOYSA-N -2 3 306.321 0.860 20 5 DCBDHL O=C([O-])C1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CCCC1 ZINC001594884820 954452948 /nfs/dbraw/zinc/45/29/48/954452948.db2.gz UAXHKJMBZAMDGL-UHFFFAOYSA-N -2 3 315.307 0.666 20 5 DCBDHL CC(C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC000043592125 957438037 /nfs/dbraw/zinc/43/80/37/957438037.db2.gz ODDGGNAFUYQDCJ-UHFFFAOYSA-N -2 3 306.271 0.875 20 5 DCBDHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000054505568 395902062 /nfs/dbraw/zinc/90/20/62/395902062.db2.gz VBMKXKGAQDVOAF-SNVBAGLBSA-N -2 3 318.282 0.875 20 5 DCBDHL O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCc2nc[n-]c(=O)c2C1 ZINC000179118665 396221904 /nfs/dbraw/zinc/22/19/04/396221904.db2.gz HREISNDXTCUTHE-UHFFFAOYSA-N -2 3 316.273 0.582 20 5 DCBDHL Cc1ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@H](C)O)c([N+](=O)[O-])c1 ZINC000568481018 417141945 /nfs/dbraw/zinc/14/19/45/417141945.db2.gz RHDYSXWWIQOVGZ-OIBJUYFYSA-N -2 3 318.307 0.016 20 5 DCBDHL COc1nc([N-]C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)n[n-]1 ZINC000272431952 278085532 /nfs/dbraw/zinc/08/55/32/278085532.db2.gz HRXIWLLOVIQZMZ-UHFFFAOYSA-N -2 3 321.249 0.745 20 5 DCBDHL Cc1cc(S(=O)(=O)[N-][C@H](C)C(=O)[O-])c(F)cc1[N+](=O)[O-] ZINC001574697220 1163741154 /nfs/dbraw/zinc/74/11/54/1163741154.db2.gz JRFJHDDIHDQQPC-ZCFIWIBFSA-N -2 3 306.271 0.794 20 5 DCBDHL CN1CCN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])C[C@H](C(=O)[O-])C1 ZINC001606236201 1170130286 /nfs/dbraw/zinc/13/02/86/1170130286.db2.gz TWHMZXDRMGQEQV-SECBINFHSA-N -2 3 323.305 0.389 20 5 DCBDHL C[C@H](CN(C)c1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])C(=O)[O-] ZINC001609111763 1170813374 /nfs/dbraw/zinc/81/33/74/1170813374.db2.gz GRMCEFVPURXELJ-SSDOTTSWSA-N -2 3 306.282 0.932 20 5 DCBDHL C[C@H](CN(C)c1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])C(=O)[O-] ZINC001609111763 1170813376 /nfs/dbraw/zinc/81/33/76/1170813376.db2.gz GRMCEFVPURXELJ-SSDOTTSWSA-N -2 3 306.282 0.932 20 5 DCBDHL O=C([O-])CN1CCCC[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1=O 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20 5 DCBDHL Cc1sc(S(=O)(=O)[N-]CCOCC(=O)[O-])cc1[N+](=O)[O-] ZINC000548587923 288157567 /nfs/dbraw/zinc/15/75/67/288157567.db2.gz DNXJZFRVXURWLL-UHFFFAOYSA-N -2 3 324.336 0.344 20 5 DCBDHL O=C([O-])C1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000202418738 545935912 /nfs/dbraw/zinc/93/59/12/545935912.db2.gz OYNJXRRWYXNLDO-UHFFFAOYSA-N -2 3 304.255 0.629 20 5 DCBDHL O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000772901173 668787994 /nfs/dbraw/zinc/78/79/94/668787994.db2.gz XZOOUPNSQBLUHP-JTQLQIEISA-N -2 3 320.265 0.027 20 5 DCBDHL O=C([O-])CC1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC001601937569 1168940463 /nfs/dbraw/zinc/94/04/63/1168940463.db2.gz ZYDDXMNZWHBXGJ-UHFFFAOYSA-N -2 3 301.280 0.275 20 5 DCBDHL CN(Cc1nc(=O)o[n-]1)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001604827136 1169700426 /nfs/dbraw/zinc/70/04/26/1169700426.db2.gz VAARDBUSTLAFHN-UHFFFAOYSA-N -2 3 318.253 0.088 20 5 DCBDHL CN(Cc1nc(=O)o[n-]1)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001604827136 1169700432 /nfs/dbraw/zinc/70/04/32/1169700432.db2.gz VAARDBUSTLAFHN-UHFFFAOYSA-N -2 3 318.253 0.088 20 5 DCBDHL Cc1[n-][nH]c(=O)c1CCNc1nc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001594113899 998232387 /nfs/dbraw/zinc/23/23/87/998232387.db2.gz PSROGMDELQMEDJ-ZETCQYMHSA-N -2 3 307.266 0.612 20 5 DCBDHL COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C)CC(=O)[O-] ZINC000036967682 395725299 /nfs/dbraw/zinc/72/52/99/395725299.db2.gz DNOHOCSFWFQAPG-SSDOTTSWSA-N -2 3 318.307 0.745 20 5 DCBDHL O=C([O-])[C@@H]1CCN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1 ZINC001606961771 1170340445 /nfs/dbraw/zinc/34/04/45/1170340445.db2.gz XWNVQKLYBWNOSE-MRVPVSSYSA-N -2 3 304.266 0.686 20 5 DCBDHL O=C([O-])[C@@H]1CCN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1 ZINC001606961771 1170340455 /nfs/dbraw/zinc/34/04/55/1170340455.db2.gz XWNVQKLYBWNOSE-MRVPVSSYSA-N -2 3 304.266 0.686 20 5 DCBDHL O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1ncccc1[O-] ZINC000566044275 291265157 /nfs/dbraw/zinc/26/51/57/291265157.db2.gz QUEAWAKJAZJEKQ-UHFFFAOYSA-N -2 3 310.291 0.569 20 5 DCBDHL O=C(NCCCc1cc(=O)[nH][n-]1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000597664463 397050364 /nfs/dbraw/zinc/05/03/64/397050364.db2.gz JGNAWARPZIZGAF-UHFFFAOYSA-N -2 3 307.266 0.081 20 5 DCBDHL Cc1[n-][nH]c(=O)c1CCNC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000532861228 416460888 /nfs/dbraw/zinc/46/08/88/416460888.db2.gz CWKAJSNSAKOHNT-MRVPVSSYSA-N -2 3 306.278 0.542 20 5 DCBDHL CCO[N-]C(=O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000846001698 672287592 /nfs/dbraw/zinc/28/75/92/672287592.db2.gz FOUVPCXDXGRAFT-UHFFFAOYSA-N -2 3 321.286 0.080 20 5 DCBDHL CN(Cc1n[n-]c(=O)o1)c1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001579267293 1165255910 /nfs/dbraw/zinc/25/59/10/1165255910.db2.gz HENCHGBBQXHKFA-UHFFFAOYSA-N -2 3 318.253 0.500 20 5 DCBDHL CN(Cc1n[n-]c(=O)o1)c1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001579267293 1165255915 /nfs/dbraw/zinc/25/59/15/1165255915.db2.gz HENCHGBBQXHKFA-UHFFFAOYSA-N -2 3 318.253 0.500 20 5 DCBDHL O=C([O-])C1=NOC2(C1)CCN(c1cc[n-]c(=O)c1[N+](=O)[O-])CC2 ZINC001601744302 1168846697 /nfs/dbraw/zinc/84/66/97/1168846697.db2.gz NTRYPUNVQNKFTJ-UHFFFAOYSA-N -2 3 322.277 0.895 20 5 DCBDHL Cc1[n-][nH]c(=O)c1CCNc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC001604616011 1169631922 /nfs/dbraw/zinc/63/19/22/1169631922.db2.gz GCTGDZISLSTZIK-QMMMGPOBSA-N -2 3 321.293 0.920 20 5 DCBDHL O=C([O-])[C@H]1CCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1 ZINC001606959612 1170338291 /nfs/dbraw/zinc/33/82/91/1170338291.db2.gz BQNGULLKIAGXEG-ZETCQYMHSA-N -2 3 304.266 0.686 20 5 DCBDHL CC[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)C(=O)[O-] ZINC001595172070 979740161 /nfs/dbraw/zinc/74/01/61/979740161.db2.gz XOOSMJLTBHPAOS-SSDOTTSWSA-N -2 3 303.296 0.379 20 5 DCBDHL C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000021518376 296139045 /nfs/dbraw/zinc/13/90/45/296139045.db2.gz FQOCDUGPSMSQLG-RXMQYKEDSA-N -2 3 308.699 1.000 20 5 DCBDHL CS(=O)(=O)c1nc([N-]C(=O)c2csc([N+](=O)[O-])c2)n[n-]1 ZINC000338113379 416046234 /nfs/dbraw/zinc/04/62/34/416046234.db2.gz SGPMKWRKRUZVHJ-UHFFFAOYSA-N -2 3 317.308 0.430 20 5 DCBDHL O=C([O-])CCC(=O)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826461379 607833576 /nfs/dbraw/zinc/83/35/76/607833576.db2.gz RPHCDGHDDVSNIU-UHFFFAOYSA-N -2 3 306.238 0.578 20 5 DCBDHL O=C([O-])CCC(=O)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000826461379 607833577 /nfs/dbraw/zinc/83/35/77/607833577.db2.gz RPHCDGHDDVSNIU-UHFFFAOYSA-N -2 3 306.238 0.578 20 5 DCBDHL COc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1n[nH]c(CC(=O)[O-])n1 ZINC000738067942 600536152 /nfs/dbraw/zinc/53/61/52/600536152.db2.gz BILGFIOCKGBDPI-UHFFFAOYSA-N -2 3 321.249 0.601 20 5 DCBDHL O=C([O-])[C@H]1CCCN1c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001593278925 1167753873 /nfs/dbraw/zinc/75/38/73/1167753873.db2.gz HGUFWANBZGFAEV-SECBINFHSA-N -2 3 304.266 0.828 20 5 DCBDHL O=C([O-])c1ccnc(NCCCc2c[n-][nH]c2=O)c1[N+](=O)[O-] ZINC001608953703 1170774574 /nfs/dbraw/zinc/77/45/74/1170774574.db2.gz SAIZMVXAPFVFEC-SSDOTTSWSA-N -2 3 307.266 0.612 20 5 DCBDHL O=C(NCc1nc([O-])cc(=O)[n-]1)c1cc([N+](=O)[O-])ccc1F ZINC001168429150 750821355 /nfs/dbraw/zinc/82/13/55/750821355.db2.gz DAZPGLSUGWGVDH-UHFFFAOYSA-N -2 3 308.225 0.865 20 5 DCBDHL COc1ccc(S(=O)(=O)[N-][C@H](C)CC(=O)[O-])c([N+](=O)[O-])c1 ZINC000037417415 415190690 /nfs/dbraw/zinc/19/06/90/415190690.db2.gz YJCWULXFHNMZKV-SSDOTTSWSA-N -2 3 318.307 0.745 20 5 DCBDHL O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCc2nc[n-]c(=O)c2C1 ZINC000356757492 415982037 /nfs/dbraw/zinc/98/20/37/415982037.db2.gz AKECOKZAZAWVCQ-UHFFFAOYSA-N -2 3 316.273 0.995 20 5 DCBDHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCCF)c([N+](=O)[O-])c1 ZINC000577067202 417662257 /nfs/dbraw/zinc/66/22/57/417662257.db2.gz CWYINGXSBCJXIA-UHFFFAOYSA-N -2 3 306.271 0.931 20 5 DCBDHL CCOCC[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000577114243 417663047 /nfs/dbraw/zinc/66/30/47/417663047.db2.gz HELUPLCMAAPBQY-UHFFFAOYSA-N -2 3 318.307 0.608 20 5 DCBDHL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@H](F)C(=O)[O-] ZINC000837296801 671856022 /nfs/dbraw/zinc/85/60/22/671856022.db2.gz UAKWOVWLBDHMMX-SSDOTTSWSA-N -2 3 306.271 0.604 20 5 DCBDHL O=C(OCc1ccc(-c2nnn[n-]2)cn1)c1ccc([N+](=O)[O-])[n-]1 ZINC001593298135 1167763265 /nfs/dbraw/zinc/76/32/65/1167763265.db2.gz XKCVEBKADOFULJ-UHFFFAOYSA-N -2 3 315.249 0.855 20 5 DCBDHL O=C(OCc1ccc(-c2nn[n-]n2)cn1)c1ccc([N+](=O)[O-])[n-]1 ZINC001593298135 1167763273 /nfs/dbraw/zinc/76/32/73/1167763273.db2.gz XKCVEBKADOFULJ-UHFFFAOYSA-N -2 3 315.249 0.855 20 5 DCBDHL O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC001602174463 1169015854 /nfs/dbraw/zinc/01/58/54/1169015854.db2.gz XHMNZMGZCLBSPU-BDAKNGLRSA-N -2 3 315.307 0.521 20 5 DCBDHL C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000021816550 182292563 /nfs/dbraw/zinc/29/25/63/182292563.db2.gz XXSYUQXCFNHNFI-RXMQYKEDSA-N -2 3 308.699 1.000 20 5 DCBDHL O=C([O-])C1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000167002822 158367036 /nfs/dbraw/zinc/36/70/36/158367036.db2.gz PJWFYBSSYJDDKZ-UHFFFAOYSA-N -2 3 318.282 0.877 20 5 DCBDHL CC(C)(C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000164876132 416018854 /nfs/dbraw/zinc/01/88/54/416018854.db2.gz DPQMKFGOQXGQBH-UHFFFAOYSA-N -2 3 302.308 0.984 20 5 DCBDHL Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000548448899 288144130 /nfs/dbraw/zinc/14/41/30/288144130.db2.gz WTASGCGLNNWSQP-VIFPVBQESA-N -2 3 306.278 0.542 20 5 DCBDHL COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](CF)C(=O)[O-] ZINC000564925931 288789540 /nfs/dbraw/zinc/78/95/40/288789540.db2.gz DONJOSFYVQIQKT-ZETCQYMHSA-N -2 3 322.270 0.304 20 5 DCBDHL COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@@H](F)C(=O)[O-] ZINC000837296082 671856049 /nfs/dbraw/zinc/85/60/49/671856049.db2.gz JWMGTEJVHLGVMO-SSDOTTSWSA-N -2 3 322.270 0.304 20 5 DCBDHL Cc1c([N-]c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])cnn1C ZINC001605499775 1169940687 /nfs/dbraw/zinc/94/06/87/1169940687.db2.gz DCKFSZLXWOLNLH-UHFFFAOYSA-N -2 3 301.270 0.955 20 5 DCBDHL Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCC(=O)[O-])cc1C ZINC000020551235 182230187 /nfs/dbraw/zinc/23/01/87/182230187.db2.gz KBOQTJOQCYUBIF-UHFFFAOYSA-N -2 3 302.308 0.965 20 5 DCBDHL CC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC)C(=O)[O-] ZINC000035097934 395718645 /nfs/dbraw/zinc/71/86/45/395718645.db2.gz RSHRYUTWEUPHRM-QMMMGPOBSA-N -2 3 318.307 0.745 20 5 DCBDHL COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C)C(=O)[O-] ZINC000036983857 395725701 /nfs/dbraw/zinc/72/57/01/395725701.db2.gz UPHNLEVGSFESCR-ZCFIWIBFSA-N -2 3 304.280 0.355 20 5 DCBDHL COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C)CC(=O)[O-] ZINC000037465472 395727576 /nfs/dbraw/zinc/72/75/76/395727576.db2.gz QSZMYKDPTIUGKR-SSDOTTSWSA-N -2 3 318.307 0.745 20 5 DCBDHL O=c1[n-]c(C2CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC2)n[nH]1 ZINC000596226703 396738149 /nfs/dbraw/zinc/73/81/49/396738149.db2.gz XHXRLIUIWSVIHO-UHFFFAOYSA-N -2 3 306.282 0.903 20 5 DCBDHL Cc1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@H](C)O)c([N+](=O)[O-])c1 ZINC000591245137 396890914 /nfs/dbraw/zinc/89/09/14/396890914.db2.gz RHDYSXWWIQOVGZ-XVKPBYJWSA-N -2 3 318.307 0.016 20 5 DCBDHL Cc1ncc(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c(=O)[n-]1 ZINC000345987377 416180188 /nfs/dbraw/zinc/18/01/88/416180188.db2.gz HDOBWJBQJBLPHG-UHFFFAOYSA-N -2 3 305.250 0.429 20 5 DCBDHL Cc1ccc(S(=O)(=O)[N-][C@@H](CCO)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000547875980 288087025 /nfs/dbraw/zinc/08/70/25/288087025.db2.gz JDXUFLASAOETIX-QMMMGPOBSA-N -2 3 318.307 0.017 20 5 DCBDHL O=C([O-])c1cnc(NCCCc2c[n-][nH]c2=O)c([N+](=O)[O-])c1 ZINC001602532608 1169108696 /nfs/dbraw/zinc/10/86/96/1169108696.db2.gz UCROXSIIMCOEDF-SSDOTTSWSA-N -2 3 307.266 0.612 20 5 DCBDHL Cc1cc(S(=O)(=O)[N-][C@@H](C)C(=O)[O-])c(F)cc1[N+](=O)[O-] ZINC001574697219 962664780 /nfs/dbraw/zinc/66/47/80/962664780.db2.gz JRFJHDDIHDQQPC-LURJTMIESA-N -2 3 306.271 0.794 20 5 DCBDHL COc1c([O-])ccc(CN2CCO[C@H](C(=O)[O-])C2)c1[N+](=O)[O-] ZINC001604680995 973875925 /nfs/dbraw/zinc/87/59/25/973875925.db2.gz XXWJKENCMFYBII-JTQLQIEISA-N -2 3 312.278 0.594 20 5 DCBDHL CCOC(=O)c1ncc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)[n-]1 ZINC000588718414 396689617 /nfs/dbraw/zinc/68/96/17/396689617.db2.gz ZLNGMHRWHSNKNV-UHFFFAOYSA-N -2 3 321.249 0.848 20 5 DCBDHL O=C(NCCCc1cc(=O)[nH][n-]1)c1cccc([N+](=O)[O-])c1[O-] ZINC000588876109 396697846 /nfs/dbraw/zinc/69/78/46/396697846.db2.gz SRRMTQDHXSLIJI-UHFFFAOYSA-N -2 3 306.278 0.686 20 5 DCBDHL COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C(C)(C)C(=O)[O-] ZINC000589158592 396706210 /nfs/dbraw/zinc/70/62/10/396706210.db2.gz SFUFVYUQTPZUJC-UHFFFAOYSA-N -2 3 318.307 0.745 20 5 DCBDHL Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H](F)C(=O)[O-])cc1C ZINC000837296085 671855958 /nfs/dbraw/zinc/85/59/58/671855958.db2.gz JYOYISUGCNZNLH-MRVPVSSYSA-N -2 3 320.298 0.913 20 5 DCBDHL C[C@H](CN(C)c1cc(N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1)C(=O)[O-] ZINC001589845271 1166697201 /nfs/dbraw/zinc/69/72/01/1166697201.db2.gz CGDUGOUBOGPQCY-ZCFIWIBFSA-N -2 3 321.297 0.514 20 5 DCBDHL CCO[N-]C(=O)CNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001604437934 1169594056 /nfs/dbraw/zinc/59/40/56/1169594056.db2.gz LEXUWVCIIYDJLU-UHFFFAOYSA-N -2 3 307.270 0.255 20 5 DCBDHL CCO[N-]C(=O)CNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001604437934 1169594062 /nfs/dbraw/zinc/59/40/62/1169594062.db2.gz LEXUWVCIIYDJLU-UHFFFAOYSA-N -2 3 307.270 0.255 20 5 DCBDHL O=C([O-])[C@@H]1CN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCO1 ZINC001606959691 1170337531 /nfs/dbraw/zinc/33/75/31/1170337531.db2.gz DSFMSFCIVMDZRZ-VIFPVBQESA-N -2 3 320.265 0.065 20 5 DCBDHL O=C([O-])[C@@H]1CCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1 ZINC001606959610 1170338406 /nfs/dbraw/zinc/33/84/06/1170338406.db2.gz BQNGULLKIAGXEG-SSDOTTSWSA-N -2 3 304.266 0.686 20 5 DCBDHL Nc1cc(N2CC[C@H](C(=O)[O-])C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001609510809 1171005639 /nfs/dbraw/zinc/00/56/39/1171005639.db2.gz IEHLZJXCPLEYIG-LURJTMIESA-N -2 3 319.281 0.268 20 5 DCBDHL CCO[N-]C(=O)C[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC001655888083 1173830032 /nfs/dbraw/zinc/83/00/32/1173830032.db2.gz FJRDAEWCPXXKEC-UHFFFAOYSA-N -2 3 323.352 0.311 20 5 DCBDHL Cc1sc(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@H](C)O)cc1[N+](=O)[O-] ZINC000569803612 291495760 /nfs/dbraw/zinc/49/57/60/291495760.db2.gz LINCZBZZLSMIGL-RNHFCUEFSA-N -2 3 324.336 0.077 20 5 DCBDHL COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@H](C)C(=O)[O-] ZINC000054333725 395897172 /nfs/dbraw/zinc/89/71/72/395897172.db2.gz KRFYMDWLZKANRJ-ZETCQYMHSA-N -2 3 318.307 0.602 20 5 DCBDHL O=C1[N-]C(=O)N2CCN(Cc3cc([O-])ccc3[N+](=O)[O-])C[C@@H]12 ZINC000332623912 415422248 /nfs/dbraw/zinc/42/22/48/415422248.db2.gz NDZPMMCMCFVJKY-NSHDSACASA-N -2 3 306.278 0.036 20 5 DCBDHL C[C@H](CN(C)C(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1nn[n-]n1 ZINC000274731209 415362222 /nfs/dbraw/zinc/36/22/22/415362222.db2.gz CNXUXHQPSIDMJB-SSDOTTSWSA-N -2 3 306.282 0.689 20 5 DCBDHL Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000548448898 288144103 /nfs/dbraw/zinc/14/41/03/288144103.db2.gz WTASGCGLNNWSQP-SECBINFHSA-N -2 3 306.278 0.542 20 5 DCBDHL Cc1sc(S(=O)(=O)[N-][C@@H](CCO)C(=O)[O-])cc1[N+](=O)[O-] ZINC000548534466 288151521 /nfs/dbraw/zinc/15/15/21/288151521.db2.gz GKEKJAOTRAWPFP-LURJTMIESA-N -2 3 324.336 0.079 20 5 DCBDHL O=C([O-])[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000823387221 599390494 /nfs/dbraw/zinc/39/04/94/599390494.db2.gz GDEBBWHMUPOEME-SSDOTTSWSA-N -2 3 319.281 0.471 20 5 DCBDHL O=C([O-])[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC000823387221 599390497 /nfs/dbraw/zinc/39/04/97/599390497.db2.gz GDEBBWHMUPOEME-SSDOTTSWSA-N -2 3 319.281 0.471 20 5 DCBDHL CC(C)[C@@H](CNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-])C(=O)[O-] ZINC001589461695 1166658898 /nfs/dbraw/zinc/65/88/98/1166658898.db2.gz ZRPJUGIXHMQECT-MRVPVSSYSA-N -2 3 321.297 0.939 20 5 DCBDHL CC(C)[C@@H](CNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-])C(=O)[O-] ZINC001589461695 1166658901 /nfs/dbraw/zinc/65/89/01/1166658901.db2.gz ZRPJUGIXHMQECT-MRVPVSSYSA-N -2 3 321.297 0.939 20 5 DCBDHL CN(Cc1n[n-]c(=O)o1)c1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001591152246 1167116637 /nfs/dbraw/zinc/11/66/37/1167116637.db2.gz SKTKOCXJEANGBD-UHFFFAOYSA-N -2 3 318.253 0.500 20 5 DCBDHL CN(Cc1n[n-]c(=O)o1)c1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001591152246 1167116639 /nfs/dbraw/zinc/11/66/39/1167116639.db2.gz SKTKOCXJEANGBD-UHFFFAOYSA-N -2 3 318.253 0.500 20 5 DCBDHL O=C([O-])c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC(F)F ZINC001610840865 1171337635 /nfs/dbraw/zinc/33/76/35/1171337635.db2.gz AKOQUBDWOXXGLK-UHFFFAOYSA-N -2 3 310.234 0.836 20 5 DCBDHL O=C([O-])C(F)(F)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000312509316 963569967 /nfs/dbraw/zinc/56/99/67/963569967.db2.gz MWQAWLWLQJRXJV-UHFFFAOYSA-N -2 3 310.234 0.593 20 5 DCBDHL COc1cc(S(=O)(=O)[N-][C@H](CF)C(=O)[O-])ccc1[N+](=O)[O-] ZINC000572518268 291572501 /nfs/dbraw/zinc/57/25/01/291572501.db2.gz IRKGYLMTXXJESL-SSDOTTSWSA-N -2 3 322.270 0.304 20 5 DCBDHL CC[C@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000087500089 395706435 /nfs/dbraw/zinc/70/64/35/395706435.db2.gz PJEHMTZCUYBNRM-MRVPVSSYSA-N -2 3 302.308 0.984 20 5 DCBDHL Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000610090597 397803106 /nfs/dbraw/zinc/80/31/06/397803106.db2.gz FQCCRIYXRQEBCM-SECBINFHSA-N -2 3 306.278 0.542 20 5 DCBDHL COc1nc([N-]C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)n[n-]1 ZINC000539815898 416585551 /nfs/dbraw/zinc/58/55/51/416585551.db2.gz MJIHSETWELEKPQ-UHFFFAOYSA-N -2 3 321.249 0.745 20 5 DCBDHL O=C([O-])c1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(CF)CF ZINC001602408877 1169073797 /nfs/dbraw/zinc/07/37/97/1169073797.db2.gz NTVYAPNLTBQQAS-UHFFFAOYSA-N -2 3 324.261 0.879 20 5 DCBDHL CC(C)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)C(=O)[O-] ZINC001588953867 962581220 /nfs/dbraw/zinc/58/12/20/962581220.db2.gz PTGNRTWIRGKGPT-SECBINFHSA-N -2 3 303.296 0.377 20 5 DCBDHL COc1c([O-])ccc(CN2CCOC[C@H]2C(=O)[O-])c1[N+](=O)[O-] ZINC001599344155 997972764 /nfs/dbraw/zinc/97/27/64/997972764.db2.gz DXNWJERQJOYAPN-VIFPVBQESA-N -2 3 312.278 0.594 20 5 DCBDHL O=C([O-])[C@H]1C=C[C@@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000092181807 193171328 /nfs/dbraw/zinc/17/13/28/193171328.db2.gz VFNKAIAZBBSEAQ-DTWKUNHWSA-N -2 3 312.303 0.902 20 5 DCBDHL Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](CF)C(=O)[O-])c1C ZINC000592151944 397108443 /nfs/dbraw/zinc/10/84/43/397108443.db2.gz IBNGOAWCVPBBGI-MRVPVSSYSA-N -2 3 320.298 0.913 20 5 DCBDHL Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000540952340 416599283 /nfs/dbraw/zinc/59/92/83/416599283.db2.gz LNMXUQSBFDALDE-NSHDSACASA-N -2 3 306.278 0.542 20 5 DCBDHL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C1(C(=O)[O-])CC1 ZINC000202406614 545935879 /nfs/dbraw/zinc/93/58/79/545935879.db2.gz CSEKMUXSWHNGEL-UHFFFAOYSA-N -2 3 300.292 0.799 20 5 DCBDHL Cc1sc(S(=O)(=O)[N-]CC[C@H](O)C(=O)[O-])cc1[N+](=O)[O-] ZINC000548197246 288119780 /nfs/dbraw/zinc/11/97/80/288119780.db2.gz FNDIIFHOHADLPB-ZETCQYMHSA-N -2 3 324.336 0.079 20 5 DCBDHL Cc1[n-]c(=O)cc(OC(=O)[C@H](O)CCC(=O)[O-])c1[N+](=O)[O-] ZINC001228686040 776114485 /nfs/dbraw/zinc/11/44/85/776114485.db2.gz LMRVQICKAQUGRZ-ZCFIWIBFSA-N -2 3 300.223 0.135 20 5 DCBDHL O=C(NCCCc1c[n-][nH]c1=O)c1cccc([N+](=O)[O-])c1[O-] ZINC001454186161 1008986177 /nfs/dbraw/zinc/98/61/77/1008986177.db2.gz LSCDZGYYCKKFCO-QMMMGPOBSA-N -2 3 306.278 0.542 20 5 DCBDHL C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000021518377 299330814 /nfs/dbraw/zinc/33/08/14/299330814.db2.gz FQOCDUGPSMSQLG-YFKPBYRVSA-N -2 3 308.699 1.000 20 5 DCBDHL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](C)O ZINC000035346810 395720381 /nfs/dbraw/zinc/72/03/81/395720381.db2.gz CXHSHOQQHBNIAX-APPZFPTMSA-N -2 3 318.307 0.016 20 5 DCBDHL COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCC(=O)[O-] ZINC000037465239 395727382 /nfs/dbraw/zinc/72/73/82/395727382.db2.gz KITNMAMRRVMINL-UHFFFAOYSA-N -2 3 304.280 0.356 20 5 DCBDHL C[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H](C)C(=O)[O-] ZINC000133180632 395928426 /nfs/dbraw/zinc/92/84/26/395928426.db2.gz IYVDXRYQKWYKTA-HTQZYQBOSA-N -2 3 302.308 0.982 20 5 DCBDHL O=C([O-])N1CC([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000831852019 604413961 /nfs/dbraw/zinc/41/39/61/604413961.db2.gz IQRKFHCQLDEAJR-UHFFFAOYSA-N -2 3 319.270 0.374 20 5 DCBDHL O=C(NCCCc1c[n-][nH]c1=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC001641483993 1171917311 /nfs/dbraw/zinc/91/73/11/1171917311.db2.gz VROIQRBDWDVYFQ-VIFPVBQESA-N -2 3 306.278 0.542 20 5 DCBDHL COc1c([O-])ccc(CN2CCO[C@@H](C(=O)[O-])C2)c1[N+](=O)[O-] ZINC001604680996 973876302 /nfs/dbraw/zinc/87/63/02/973876302.db2.gz XXWJKENCMFYBII-SNVBAGLBSA-N -2 3 312.278 0.594 20 5 DCBDHL C[C@@H](CN(C)c1ccc(CC(=O)[O-])cc1[N+](=O)[O-])c1nnn[n-]1 ZINC001592588312 978512157 /nfs/dbraw/zinc/51/21/57/978512157.db2.gz GKIZXFGQKLABQP-QMMMGPOBSA-N -2 3 320.309 0.975 20 5 DCBDHL C[C@@H](CN(C)c1ccc(CC(=O)[O-])cc1[N+](=O)[O-])c1nn[n-]n1 ZINC001592588312 978512161 /nfs/dbraw/zinc/51/21/61/978512161.db2.gz GKIZXFGQKLABQP-QMMMGPOBSA-N -2 3 320.309 0.975 20 5 DCBDHL COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)C(=O)[O-] ZINC000021013849 182260753 /nfs/dbraw/zinc/26/07/53/182260753.db2.gz OGWBKUBTHZYGDS-LURJTMIESA-N -2 3 304.280 0.355 20 5 DCBDHL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@H](C)C(=O)[O-] ZINC000054334133 395898435 /nfs/dbraw/zinc/89/84/35/395898435.db2.gz NSGBGKYQMBBGBI-MRVPVSSYSA-N -2 3 302.308 0.902 20 5 DCBDHL COC(=O)Cc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])[n-]1 ZINC000436997560 416579116 /nfs/dbraw/zinc/57/91/16/416579116.db2.gz GJXZCDPJAQKJSJ-UHFFFAOYSA-N -2 3 321.249 0.386 20 5 DCBDHL COC(=O)Cc1n[n-]c(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])n1 ZINC000436997560 416579122 /nfs/dbraw/zinc/57/91/22/416579122.db2.gz GJXZCDPJAQKJSJ-UHFFFAOYSA-N -2 3 321.249 0.386 20 5 DCBDHL COC(=O)Cc1nc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])n[n-]1 ZINC000436997560 416579125 /nfs/dbraw/zinc/57/91/25/416579125.db2.gz GJXZCDPJAQKJSJ-UHFFFAOYSA-N -2 3 321.249 0.386 20 5 DCBDHL Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000544561909 287977948 /nfs/dbraw/zinc/97/79/48/287977948.db2.gz JNOPUDYHQPWDTA-SECBINFHSA-N -2 3 306.278 0.542 20 5 DCBDHL Cc1sc(S(=O)(=O)[N-]C2(C(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000548771451 288175195 /nfs/dbraw/zinc/17/51/95/288175195.db2.gz FZSOHAUKZMYOIK-UHFFFAOYSA-N -2 3 306.321 0.860 20 5 DCBDHL COC[C@](C)([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000392857137 337075180 /nfs/dbraw/zinc/07/51/80/337075180.db2.gz METGVZRTXPQJLR-NSHDSACASA-N -2 3 318.307 0.363 20 5 DCBDHL O=C([O-])[C@H]1CCN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC001593277253 1167751353 /nfs/dbraw/zinc/75/13/53/1167751353.db2.gz WAIFPIKDYKSWTB-ZETCQYMHSA-N -2 3 304.266 0.686 20 5 DCBDHL O=C([O-])[C@@H](F)C[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC001602170735 1169013139 /nfs/dbraw/zinc/01/31/39/1169013139.db2.gz VMCFFPWXHPZRFJ-QMMMGPOBSA-N -2 3 306.271 0.437 20 5 DCBDHL C[C@]1(C(=O)[O-])CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001609143040 1170824672 /nfs/dbraw/zinc/82/46/72/1170824672.db2.gz WKSSYXSCRKEDRZ-LBPRGKRZSA-N -2 3 319.281 0.471 20 5 DCBDHL C[C@]1(C(=O)[O-])CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001609143040 1170824674 /nfs/dbraw/zinc/82/46/74/1170824674.db2.gz WKSSYXSCRKEDRZ-LBPRGKRZSA-N -2 3 319.281 0.471 20 5 DCBDHL CC[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)C(=O)[O-] ZINC001595172071 979740112 /nfs/dbraw/zinc/74/01/12/979740112.db2.gz XOOSMJLTBHPAOS-ZETCQYMHSA-N -2 3 303.296 0.379 20 5 DCBDHL COc1ccc(S(=O)(=O)[N-]C[C@H](C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000054333729 395897143 /nfs/dbraw/zinc/89/71/43/395897143.db2.gz ZRJRCIUAQXNMAZ-ZETCQYMHSA-N -2 3 318.307 0.602 20 5 DCBDHL COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@@H](C)C(=O)[O-] ZINC000054333986 395897399 /nfs/dbraw/zinc/89/73/99/395897399.db2.gz ZMJFHQMRZUWOGK-SSDOTTSWSA-N -2 3 318.307 0.602 20 5 DCBDHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000054504792 395902058 /nfs/dbraw/zinc/90/20/58/395902058.db2.gz NKBVEBVZVRTAAS-JTQLQIEISA-N -2 3 300.292 0.736 20 5 DCBDHL CCOCC[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000577496448 341912784 /nfs/dbraw/zinc/91/27/84/341912784.db2.gz GUVXQTFLHOSYED-UHFFFAOYSA-N -2 3 318.307 0.608 20 5 DCBDHL O=C([O-])CCCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC001601985612 1159783018 /nfs/dbraw/zinc/78/30/18/1159783018.db2.gz MOAMBMFGNLGNRW-UHFFFAOYSA-N -2 3 317.323 0.913 20 5 DCBDHL Cn1cc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1C(=O)[O-] ZINC000833051111 601761057 /nfs/dbraw/zinc/76/10/57/601761057.db2.gz ANZRCOLASXFESA-UHFFFAOYSA-N -2 3 306.234 0.984 20 5 DCBDHL C[C@@H](CN(C)c1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)C(=O)[O-] ZINC001589846070 1166698152 /nfs/dbraw/zinc/69/81/52/1166698152.db2.gz KQJDHHDCDJUBHK-ZETCQYMHSA-N -2 3 306.282 0.932 20 5 DCBDHL O=C([O-])c1cc(C(=O)[N-]n2ccccc2=O)cc([N+](=O)[O-])c1 ZINC001602248713 1169041113 /nfs/dbraw/zinc/04/11/13/1169041113.db2.gz FMYPDSUHSBRXEZ-UHFFFAOYSA-N -2 3 303.230 0.839 20 5 DCBDHL O=C(NCCCc1c[n-][nH]c1=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC001470580923 1016462950 /nfs/dbraw/zinc/46/29/50/1016462950.db2.gz TXGFKZDNDAMCJY-QMMMGPOBSA-N -2 3 306.278 0.542 20 5 DCBDHL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@](C)(O)C(=O)[O-] ZINC000090277008 185289202 /nfs/dbraw/zinc/28/92/02/185289202.db2.gz DOLHXDTZPRHXSC-LLVKDONJSA-N -2 3 318.307 0.017 20 5 DCBDHL COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)CC(=O)[O-] ZINC000036967680 395725406 /nfs/dbraw/zinc/72/54/06/395725406.db2.gz DNOHOCSFWFQAPG-ZETCQYMHSA-N -2 3 318.307 0.745 20 5 DCBDHL C[C@@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000133181046 395928130 /nfs/dbraw/zinc/92/81/30/395928130.db2.gz IYVDXRYQKWYKTA-SFYZADRCSA-N -2 3 302.308 0.982 20 5 DCBDHL O=C1[N-]C(=O)N2CCN(Cc3cc([O-])ccc3[N+](=O)[O-])C[C@H]12 ZINC000332623911 415420106 /nfs/dbraw/zinc/42/01/06/415420106.db2.gz NDZPMMCMCFVJKY-LLVKDONJSA-N -2 3 306.278 0.036 20 5 DCBDHL C[C@H](CN(C)c1ccc(CC(=O)[O-])cc1[N+](=O)[O-])c1nnn[n-]1 ZINC001592588310 978512502 /nfs/dbraw/zinc/51/25/02/978512502.db2.gz GKIZXFGQKLABQP-MRVPVSSYSA-N -2 3 320.309 0.975 20 5 DCBDHL C[C@H](CN(C)c1ccc(CC(=O)[O-])cc1[N+](=O)[O-])c1nn[n-]n1 ZINC001592588310 978512506 /nfs/dbraw/zinc/51/25/06/978512506.db2.gz GKIZXFGQKLABQP-MRVPVSSYSA-N -2 3 320.309 0.975 20 5 DCBDHL CCC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)C(=O)[O-] ZINC001596024727 983287158 /nfs/dbraw/zinc/28/71/58/983287158.db2.gz UZRMQGZUCHSLTG-QMMMGPOBSA-N -2 3 303.296 0.521 20 5 DCBDHL COC[C@H]([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC001599165522 998535349 /nfs/dbraw/zinc/53/53/49/998535349.db2.gz DUJRVCMRPFDAMU-VIFPVBQESA-N -2 3 318.232 0.902 20 5 DCBDHL O=C([O-])[C@H](CC1CC1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC001608534176 1170697326 /nfs/dbraw/zinc/69/73/26/1170697326.db2.gz NXBJJNJFOZJOFQ-VIFPVBQESA-N -2 3 315.307 0.521 20 5 DCBDHL COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)(C)C(=O)[O-] ZINC000040910849 395735352 /nfs/dbraw/zinc/73/53/52/395735352.db2.gz HOXLIHLZVNQZLF-UHFFFAOYSA-N -2 3 318.307 0.745 20 5 DCBDHL C[C@@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])CC(=O)[O-] ZINC000147309600 395966643 /nfs/dbraw/zinc/96/66/43/395966643.db2.gz WVGXRGAPGAOHCK-MRVPVSSYSA-N -2 3 302.308 0.984 20 5 DCBDHL Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)C(=O)[O-])c1C ZINC000261700857 396058088 /nfs/dbraw/zinc/05/80/88/396058088.db2.gz OEBCIINCZAFUKL-QMMMGPOBSA-N -2 3 302.308 0.963 20 5 DCBDHL O=C(CC[C@H]1NC(=O)[N-]C1=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000611294711 396851081 /nfs/dbraw/zinc/85/10/81/396851081.db2.gz XXDZZLHOOZKNPM-SSDOTTSWSA-N -2 3 308.250 0.227 20 5 DCBDHL COc1ccc(S(=O)(=O)[N-][C@H](C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000020001428 415154020 /nfs/dbraw/zinc/15/40/20/415154020.db2.gz ZLXALYWKGDZDMY-ZCFIWIBFSA-N -2 3 304.280 0.355 20 5 DCBDHL Cc1ccc(S(=O)(=O)[N-]CCOCC(=O)[O-])c([N+](=O)[O-])c1 ZINC000548260183 288125861 /nfs/dbraw/zinc/12/58/61/288125861.db2.gz QSYUFHCIAJWVTP-UHFFFAOYSA-N -2 3 318.307 0.283 20 5 DCBDHL CC[C@@H]([N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])C(=O)[O-] ZINC000035099262 395718733 /nfs/dbraw/zinc/71/87/33/395718733.db2.gz MLIAOBYUSJUTSI-MRVPVSSYSA-N -2 3 318.307 0.745 20 5 DCBDHL COCC[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000052786003 395870556 /nfs/dbraw/zinc/87/05/56/395870556.db2.gz QNQYSBYUAVIYSC-QMMMGPOBSA-N -2 3 318.307 0.363 20 5 DCBDHL COc1c(F)cc(S(=O)(=O)[N-]CCC(=O)[O-])cc1[N+](=O)[O-] ZINC000262332616 396125493 /nfs/dbraw/zinc/12/54/93/396125493.db2.gz FPOYWYLNAQRVNS-UHFFFAOYSA-N -2 3 322.270 0.496 20 5 DCBDHL Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](CF)C(=O)[O-])c1C ZINC000592151970 397107909 /nfs/dbraw/zinc/10/79/09/397107909.db2.gz IBNGOAWCVPBBGI-QMMMGPOBSA-N -2 3 320.298 0.913 20 5 DCBDHL O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCc2c(=O)[n-]cnc2C1 ZINC000436920145 397411588 /nfs/dbraw/zinc/41/15/88/397411588.db2.gz QSDKPICLRSEEOR-UHFFFAOYSA-N -2 3 316.273 0.995 20 5 DCBDHL Cc1[nH]nc(C(=O)[N-]c2n[n-]c(SCCO)n2)c1[N+](=O)[O-] ZINC000355429308 287181949 /nfs/dbraw/zinc/18/19/49/287181949.db2.gz ZCNAIDTUTCZCMZ-UHFFFAOYSA-N -2 3 313.299 0.081 20 5 DCBDHL O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCc2c(=O)[n-]cnc2C1 ZINC000436991976 416578939 /nfs/dbraw/zinc/57/89/39/416578939.db2.gz XDVDLRAAHSAEEO-UHFFFAOYSA-N -2 3 316.273 0.995 20 5 DCBDHL Cc1sc(S(=O)(=O)[N-][C@H](CCO)C(=O)[O-])cc1[N+](=O)[O-] ZINC000547871465 288086738 /nfs/dbraw/zinc/08/67/38/288086738.db2.gz GKEKJAOTRAWPFP-ZCFIWIBFSA-N -2 3 324.336 0.079 20 5 DCBDHL O=c1[n-]c(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)n[nH]1 ZINC000823657536 671404577 /nfs/dbraw/zinc/40/45/77/671404577.db2.gz QXWXNOKMBLDGJX-UHFFFAOYSA-N -2 3 303.242 0.211 20 5 DCBDHL O=c1[n-]c(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)n[nH]1 ZINC000823657536 671404580 /nfs/dbraw/zinc/40/45/80/671404580.db2.gz QXWXNOKMBLDGJX-UHFFFAOYSA-N -2 3 303.242 0.211 20 5 DCBDHL O=C([O-])c1ccnc(N2CCc3c(=O)[n-]cnc3C2)c1[N+](=O)[O-] ZINC001608952597 1170774700 /nfs/dbraw/zinc/77/47/00/1170774700.db2.gz DCQCOHAEIJPVEA-UHFFFAOYSA-N -2 3 317.261 0.746 20 5 DCBDHL