smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CSCC[C@H](Nc1nc(Cl)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000004106914 181073831 /nfs/dbraw/zinc/07/38/31/181073831.db2.gz XMTDGNYAPUDQFY-LURJTMIESA-N -1 0 305.743 2.261 50 5 DEBARM CCOC(=O)C1CCN(c2ccc([N+](=O)[O-])cc2C(=O)[O-])CC1 ZINC000003884283 401724794 /nfs/dbraw/zinc/72/47/94/401724794.db2.gz FQZBRAJJMZZXSV-UHFFFAOYSA-N -1 0 322.317 2.073 50 5 DEBARM Cc1nc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])c(C)cc2C)cn1C ZINC000097144342 402111612 /nfs/dbraw/zinc/11/16/12/402111612.db2.gz XUZAZRHFGRZECR-UHFFFAOYSA-N -1 0 324.362 2.054 50 5 DEBARM CNc1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000036287829 683880508 /nfs/dbraw/zinc/88/05/08/683880508.db2.gz WTKRKTCGKYHLFR-UHFFFAOYSA-N -1 0 307.331 2.437 50 5 DEBARM O=C([O-])[C@H](c1ccc([N+](=O)[O-])cc1)[S@@](=O)Cc1ccco1 ZINC000077028696 185072990 /nfs/dbraw/zinc/07/29/90/185072990.db2.gz DNKPBQVNNBANEQ-LAJNKCICSA-N -1 0 309.299 2.262 50 5 DEBARM O=C([O-])c1cccc(Nc2ncc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000005014983 181191032 /nfs/dbraw/zinc/19/10/32/181191032.db2.gz FHJVABQXSNOLEV-UHFFFAOYSA-N -1 0 304.218 2.340 50 5 DEBARM Cc1noc(C)c1[C@@H](C)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000097237023 355704336 /nfs/dbraw/zinc/70/43/36/355704336.db2.gz FIAZKHKCWQHTEP-SSDOTTSWSA-N -1 0 305.290 2.396 50 5 DEBARM CCOC(=O)c1c(=O)c2ccc([N+](=O)[O-])cc2[n-]c1OCC ZINC000514266455 356741808 /nfs/dbraw/zinc/74/18/08/356741808.db2.gz TWKAFMDCPHSXKS-UHFFFAOYSA-N -1 0 306.274 2.424 50 5 DEBARM CN(CCC1CCOCC1)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000160370121 197404140 /nfs/dbraw/zinc/40/41/40/197404140.db2.gz LDTFPVLSHDQIEV-UHFFFAOYSA-N -1 0 308.334 2.189 50 5 DEBARM Cc1cccc(-n2c3ccccc3cc3c(=O)[n-]c(=O)nc2-3)c1 ZINC000001264727 401705389 /nfs/dbraw/zinc/70/53/89/401705389.db2.gz MPCFHHRLITZGNC-UHFFFAOYSA-N -1 0 303.321 2.487 50 5 DEBARM CC[C@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1cnn(CC)c1 ZINC000072291937 401707329 /nfs/dbraw/zinc/70/73/29/401707329.db2.gz GIQBJGDKKUMCNT-LBPRGKRZSA-N -1 0 318.333 2.398 50 5 DEBARM CC(C)(C)OC(=O)N[C@@H](Cc1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000002243998 401712829 /nfs/dbraw/zinc/71/28/29/401712829.db2.gz OWTGPXDXLMNQKK-NSHDSACASA-N -1 0 310.306 2.115 50 5 DEBARM CCOC(=O)C1CCN(c2c(C(=O)[O-])cccc2[N+](=O)[O-])CC1 ZINC000015443373 401818249 /nfs/dbraw/zinc/81/82/49/401818249.db2.gz ZFWVQQDYVKGWJS-UHFFFAOYSA-N -1 0 322.317 2.073 50 5 DEBARM Cc1cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2N)c(C)o1 ZINC000097379536 402124032 /nfs/dbraw/zinc/12/40/32/402124032.db2.gz AIEKVEZVENTUJR-UHFFFAOYSA-N -1 0 311.319 2.188 50 5 DEBARM O=C1NC(=O)/C(=C\c2ccc([O-])c([N+](=O)[O-])c2)c2ccccc21 ZINC000015662016 304656465 /nfs/dbraw/zinc/65/64/65/304656465.db2.gz IYHSONWRZBKXSO-GHXNOFRVSA-N -1 0 310.265 2.111 50 5 DEBARM O=C(NC[C@@H]1Cc2ccccc2O1)c1cccc([N+](=O)[O-])c1[O-] ZINC000130393149 185962509 /nfs/dbraw/zinc/96/25/09/185962509.db2.gz HOZUHXHVAKSATG-NSHDSACASA-N -1 0 314.297 2.034 50 5 DEBARM CCOC(=O)[C@H]1CCCCN1Cc1ccc([O-])c([N+](=O)[O-])c1 ZINC000004985607 181185244 /nfs/dbraw/zinc/18/52/44/181185244.db2.gz UTKKCGSEIGGGSC-GFCCVEGCSA-N -1 0 308.334 2.218 50 5 DEBARM Cc1noc([N-]S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c1C ZINC000194609339 356242156 /nfs/dbraw/zinc/24/21/56/356242156.db2.gz BYQDXZJLHIUYOO-UHFFFAOYSA-N -1 0 311.319 2.142 50 5 DEBARM Cc1cc([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])no1 ZINC000096476335 193662597 /nfs/dbraw/zinc/66/25/97/193662597.db2.gz IQUJGOYTZPIMBX-UHFFFAOYSA-N -1 0 311.319 2.309 50 5 DEBARM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000151008307 402010358 /nfs/dbraw/zinc/01/03/58/402010358.db2.gz KFCHCOLZSDPYCH-WBMJQRKESA-N -1 0 320.345 2.068 50 5 DEBARM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc([N+](=O)[O-])c(F)c1 ZINC000128915309 196003305 /nfs/dbraw/zinc/00/33/05/196003305.db2.gz SMLDCWJJRXDJQM-UHFFFAOYSA-N -1 0 315.282 2.140 50 5 DEBARM O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000238923829 534703795 /nfs/dbraw/zinc/70/37/95/534703795.db2.gz PJGKPYCPWXAOSU-JOCQHMNTSA-N -1 0 320.345 2.145 50 5 DEBARM CS(=O)(=O)[N-]c1ccc(-c2ccc(N)cc2)cc1[N+](=O)[O-] ZINC000003876984 181051778 /nfs/dbraw/zinc/05/17/78/181051778.db2.gz NLAPEQKMJBEZQW-UHFFFAOYSA-N -1 0 307.331 2.216 50 5 DEBARM CC(=O)N1[C@H](c2cccc([N+](=O)[O-])c2)SC(C)(C)[C@@H]1C(=O)[O-] ZINC000004370189 181103002 /nfs/dbraw/zinc/10/30/02/181103002.db2.gz SBEDZRABAMIKHG-RYUDHWBXSA-N -1 0 324.358 2.421 50 5 DEBARM CN(C(=O)c1cccc([N+](=O)[O-])c1[O-])[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000158660182 355959393 /nfs/dbraw/zinc/95/93/93/355959393.db2.gz GKRQPBCFYNBRSP-HONMWMINSA-N -1 0 320.345 2.186 50 5 DEBARM O=C([O-])c1cnn(-c2ccc([N+](=O)[O-])cc2)c1C(F)(F)F ZINC000000057703 304279802 /nfs/dbraw/zinc/27/98/02/304279802.db2.gz FGHNILTUXGDLKS-UHFFFAOYSA-N -1 0 301.180 2.498 50 5 DEBARM CO[C@H](CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1ccccc1 ZINC000112113882 401731363 /nfs/dbraw/zinc/73/13/63/401731363.db2.gz FBDOVSOSFZQXGR-OAHLLOKOSA-N -1 0 316.313 2.418 50 5 DEBARM CCN1C(=O)S/C(=C\c2cc(OC)c([O-])c([N+](=O)[O-])c2)C1=O ZINC000013897164 401805112 /nfs/dbraw/zinc/80/51/12/401805112.db2.gz UOJCPZIDFIRSDC-POHAHGRESA-N -1 0 324.314 2.365 50 5 DEBARM CCOc1cccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])c1O ZINC000012468430 401786511 /nfs/dbraw/zinc/78/65/11/401786511.db2.gz KYTGZXDGFOQKLJ-SREVYHEPSA-N -1 0 319.273 2.071 50 5 DEBARM COC(=O)c1cc2[n-]nc(Br)c2c([N+](=O)[O-])c1 ZINC000014983791 401814798 /nfs/dbraw/zinc/81/47/98/401814798.db2.gz HRBWBPNNDZJPGW-UHFFFAOYSA-N -1 0 300.068 2.020 50 5 DEBARM O=[N+]([O-])c1cc([C@@H]2SC=C3Sc4nncn4N32)ccc1[O-] ZINC000020724602 304801171 /nfs/dbraw/zinc/80/11/71/304801171.db2.gz HRQATMHSIRDWIA-JTQLQIEISA-N -1 0 321.343 2.180 50 5 DEBARM O=C(Nc1ccc([N+](=O)[O-])cc1[O-])c1ccc([N+](=O)[O-])cc1 ZINC000004015742 304003967 /nfs/dbraw/zinc/00/39/67/304003967.db2.gz HUWUIGSBCBKZBC-UHFFFAOYSA-N -1 0 303.230 2.461 50 5 DEBARM O=C([O-])c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1O ZINC000001429479 180865498 /nfs/dbraw/zinc/86/54/98/180865498.db2.gz VXCLXZSBHCFSES-UHFFFAOYSA-N -1 0 302.242 2.251 50 5 DEBARM CCCOc1ccccc1C=Cc1[nH]c(=O)[n-]c(=O)c1[N+](=O)[O-] ZINC000004020479 181062870 /nfs/dbraw/zinc/06/28/70/181062870.db2.gz ITDMBMGECNNCKA-BQYQJAHWSA-N -1 0 317.301 2.343 50 5 DEBARM COC(=O)c1ccccc1[N-]c1ncc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000004115745 181075564 /nfs/dbraw/zinc/07/55/64/181075564.db2.gz IFPIGQKAVHXFSA-UHFFFAOYSA-N -1 0 318.245 2.428 50 5 DEBARM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1cccc2[nH]cnc21 ZINC000079015733 191939608 /nfs/dbraw/zinc/93/96/08/191939608.db2.gz VOIPSONAZHNTCF-UHFFFAOYSA-N -1 0 318.314 2.272 50 5 DEBARM Cc1noc(C)c1[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000195567437 356257965 /nfs/dbraw/zinc/25/79/65/356257965.db2.gz KXGYYXFBJXVXAF-ZETCQYMHSA-N -1 0 305.290 2.396 50 5 DEBARM O=C([O-])c1ccccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000008345629 304271456 /nfs/dbraw/zinc/27/14/56/304271456.db2.gz LBAGBESBRFGYMZ-UHFFFAOYSA-N -1 0 323.282 2.061 50 5 DEBARM COc1cccc(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)c1O ZINC000408514174 533419572 /nfs/dbraw/zinc/41/95/72/533419572.db2.gz IEWWSJKWPLZACU-UHFFFAOYSA-N -1 0 304.258 2.267 50 5 DEBARM CC(C)[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000003280833 401724240 /nfs/dbraw/zinc/72/42/40/401724240.db2.gz FXYQJFFJQHAXBS-SNVBAGLBSA-N -1 0 300.698 2.087 50 5 DEBARM COc1cccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000000326727 401694511 /nfs/dbraw/zinc/69/45/11/401694511.db2.gz UYBGLARFVVNDFR-UHFFFAOYSA-N -1 0 308.315 2.404 50 5 DEBARM CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1cnn(CC)c1 ZINC000072291938 401707157 /nfs/dbraw/zinc/70/71/57/401707157.db2.gz GIQBJGDKKUMCNT-GFCCVEGCSA-N -1 0 318.333 2.398 50 5 DEBARM CCO[C@@H](c1[nH]c(C(=O)[O-])c([N+](=O)[O-])c1C)c1cccnc1 ZINC000012618104 401788981 /nfs/dbraw/zinc/78/89/81/401788981.db2.gz AVSJPHOPMFPNPM-CYBMUJFWSA-N -1 0 305.290 2.450 50 5 DEBARM COCc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000025306377 401832465 /nfs/dbraw/zinc/83/24/65/401832465.db2.gz LZSZKCXJBGBEKU-UHFFFAOYSA-N -1 0 316.313 2.377 50 5 DEBARM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1ccccc1[N+](=O)[O-] ZINC000035088104 401895182 /nfs/dbraw/zinc/89/51/82/401895182.db2.gz WTKHRYXWBCDSCM-UHFFFAOYSA-N -1 0 303.230 2.461 50 5 DEBARM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cccc3c[nH]nc32)cs1 ZINC000097162595 402113542 /nfs/dbraw/zinc/11/35/42/402113542.db2.gz UBNNMZMHQDGFIU-UHFFFAOYSA-N -1 0 324.343 2.333 50 5 DEBARM CC1=CC[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3[O-])C(=O)[C@@H]2C1 ZINC000100396937 402141214 /nfs/dbraw/zinc/14/12/14/402141214.db2.gz BMSHSEAZTNOHBB-WDEREUQCSA-N -1 0 302.286 2.146 50 5 DEBARM O=C([N-]c1nnc([C@@H]2CCCO2)o1)c1ccc([N+](=O)[O-])s1 ZINC000010970552 181682401 /nfs/dbraw/zinc/68/24/01/181682401.db2.gz XWHHLKDRNNFRPR-LURJTMIESA-N -1 0 310.291 2.143 50 5 DEBARM COc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000016635146 182055080 /nfs/dbraw/zinc/05/50/80/182055080.db2.gz JRPXCQVXHKSKFS-UHFFFAOYSA-N -1 0 302.286 2.239 50 5 DEBARM CSCC[C@@H](Nc1nc(Cl)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000004106916 401725636 /nfs/dbraw/zinc/72/56/36/401725636.db2.gz XMTDGNYAPUDQFY-ZCFIWIBFSA-N -1 0 305.743 2.261 50 5 DEBARM CCOC(=O)[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2C(=O)[O-])C1 ZINC000016125196 401818671 /nfs/dbraw/zinc/81/86/71/401818671.db2.gz NHEAJFNQCNBDTF-JTQLQIEISA-N -1 0 322.317 2.073 50 5 DEBARM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCC[C@H](c2cn[nH]c2)C1 ZINC000097052611 402103310 /nfs/dbraw/zinc/10/33/10/402103310.db2.gz USNPTTMQURTVBU-JTQLQIEISA-N -1 0 316.317 2.043 50 5 DEBARM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCCC[C@H]1c1cn[nH]c1 ZINC000127355063 304529132 /nfs/dbraw/zinc/52/91/32/304529132.db2.gz CECHUPRFRZLLHL-LBPRGKRZSA-N -1 0 316.317 2.391 50 5 DEBARM O=C(Nc1ccccc1[N+](=O)[O-])c1cc([N+](=O)[O-])ccc1[O-] ZINC000004178626 304009069 /nfs/dbraw/zinc/00/90/69/304009069.db2.gz VVCWMHDROSPZPM-UHFFFAOYSA-N -1 0 303.230 2.461 50 5 DEBARM CC(C)Cn1nccc1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000195561468 356257208 /nfs/dbraw/zinc/25/72/08/356257208.db2.gz UCUFIHVXRNBEIA-UHFFFAOYSA-N -1 0 304.306 2.405 50 5 DEBARM COc1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1O ZINC000390834464 533620007 /nfs/dbraw/zinc/62/00/07/533620007.db2.gz ZGIZCFRTPFBVCD-UHFFFAOYSA-N -1 0 324.314 2.110 50 5 DEBARM CC1=CC[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3[O-])C(=O)[C@H]2C1 ZINC000006050490 401731101 /nfs/dbraw/zinc/73/11/01/401731101.db2.gz BMSHSEAZTNOHBB-QWRGUYRKSA-N -1 0 302.286 2.146 50 5 DEBARM CCCc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000075110695 401749125 /nfs/dbraw/zinc/74/91/25/401749125.db2.gz IIUKKARGAWCBAJ-UHFFFAOYSA-N -1 0 310.335 2.071 50 5 DEBARM O=C([O-])Cc1ccccc1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000002381046 401713541 /nfs/dbraw/zinc/71/35/41/401713541.db2.gz NRNCPFWSAOSRER-UHFFFAOYSA-N -1 0 300.270 2.474 50 5 DEBARM O=C(Nc1ccc2c(c1)OCCO2)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000035362634 401898688 /nfs/dbraw/zinc/89/86/88/401898688.db2.gz AHRJWRKGIXQBJW-UHFFFAOYSA-N -1 0 316.269 2.324 50 5 DEBARM Cc1noc(C)c1CN(C)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000096004290 402045796 /nfs/dbraw/zinc/04/57/96/402045796.db2.gz YDEGZIFCUPPHTR-UHFFFAOYSA-N -1 0 305.290 2.177 50 5 DEBARM CC(=O)Nc1c(C)c(Br)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000004985221 278184173 /nfs/dbraw/zinc/18/41/73/278184173.db2.gz XUFBFNKFASZTHQ-UHFFFAOYSA-N -1 0 317.095 2.322 50 5 DEBARM CC1(C)C[C@@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)C(C)(C)O1 ZINC000119766857 281315834 /nfs/dbraw/zinc/31/58/34/281315834.db2.gz QGTJJYOWWLOPPD-GFCCVEGCSA-N -1 0 308.334 2.376 50 5 DEBARM CCCCNC(=O)c1nsnc1-c1cc([N+](=O)[O-])ccc1[O-] ZINC000036246489 683881028 /nfs/dbraw/zinc/88/10/28/683881028.db2.gz XISOMRUUEFQIOC-UHFFFAOYSA-N -1 0 322.346 2.349 50 5 DEBARM O=[N+]([O-])c1cnc([N-]c2cccc3nonc32)c([N+](=O)[O-])c1 ZINC000006445343 181341677 /nfs/dbraw/zinc/34/16/77/181341677.db2.gz OVPSSJMSOYNSSX-UHFFFAOYSA-N -1 0 302.206 2.178 50 5 DEBARM 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DEBARM CCN1C(=O)N[C@@H](c2cccc([N+](=O)[O-])c2)C(C(=O)[O-])=C1C ZINC000005644147 285173097 /nfs/dbraw/zinc/17/30/97/285173097.db2.gz AIUMKJHZJWOLOK-LBPRGKRZSA-N -1 0 305.290 2.040 50 5 DEBARM CCOC(=O)c1c(C)n(C)c2cc([N+](=O)[O-])c([O-])c([N+](=O)[O-])c21 ZINC000004733323 401727222 /nfs/dbraw/zinc/72/72/22/401727222.db2.gz PBNUPOARCGPMPA-UHFFFAOYSA-N -1 0 323.261 2.185 50 5 DEBARM O=C1[C@@H]2CC=C(Cl)C[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1[O-] ZINC000005100241 401728874 /nfs/dbraw/zinc/72/88/74/401728874.db2.gz JWCLKXPPFHGUJZ-NXEZZACHSA-N -1 0 322.704 2.323 50 5 DEBARM Cc1nc(C)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000075106928 401749383 /nfs/dbraw/zinc/74/93/83/401749383.db2.gz OWRNUTYGFWXUKL-UHFFFAOYSA-N -1 0 313.360 2.469 50 5 DEBARM Cc1onc([N-]C(=O)c2ccc([N+](=O)[O-])o2)c1Br ZINC000000090967 401688052 /nfs/dbraw/zinc/68/80/52/401688052.db2.gz ADOWXLLBBLZSCS-UHFFFAOYSA-N -1 0 316.067 2.499 50 5 DEBARM CN(C(=O)OC(C)(C)C)[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000002391150 401713482 /nfs/dbraw/zinc/71/34/82/401713482.db2.gz WVYOQBQMGUDWKE-LBPRGKRZSA-N -1 0 324.333 2.457 50 5 DEBARM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCOc2cc(F)ccc21 ZINC000137151259 304553334 /nfs/dbraw/zinc/55/33/34/304553334.db2.gz GOVLPUDKJVIHLO-UHFFFAOYSA-N -1 0 318.260 2.479 50 5 DEBARM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2[N+](=O)[O-])cc1 ZINC000004548630 181123331 /nfs/dbraw/zinc/12/33/31/181123331.db2.gz SXATXEHIANFQQP-UHFFFAOYSA-N -1 0 323.286 2.304 50 5 DEBARM O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2cccnc2)cc1Cl ZINC000095945550 402035807 /nfs/dbraw/zinc/03/58/07/402035807.db2.gz OFQFGWUHULTNDC-UHFFFAOYSA-N -1 0 313.722 2.444 50 5 DEBARM CCc1csc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000072275946 418489278 /nfs/dbraw/zinc/48/92/78/418489278.db2.gz BRXIDSYFTAKYDL-UHFFFAOYSA-N -1 0 313.360 2.415 50 5 DEBARM CC(C)C[C@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000073134406 279219160 /nfs/dbraw/zinc/21/91/60/279219160.db2.gz HJPSRIVIXXMFPM-LBPRGKRZSA-N -1 0 308.334 2.188 50 5 DEBARM O=C(Nc1cnn(CC(F)F)c1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000072294979 191110649 /nfs/dbraw/zinc/11/06/49/191110649.db2.gz YZDKRNFUGIFFAF-UHFFFAOYSA-N -1 0 312.232 2.014 50 5 DEBARM Cc1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000004611966 181129971 /nfs/dbraw/zinc/12/99/71/181129971.db2.gz MOUKOXCKWBXEKL-QOBDMFJFSA-N -1 0 316.313 2.365 50 5 DEBARM O=[N+]([O-])c1cccc(S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000005125482 181206309 /nfs/dbraw/zinc/20/63/09/181206309.db2.gz KXPAOHKVUPCEKZ-UHFFFAOYSA-N -1 0 324.270 2.041 50 5 DEBARM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@@H]1COc2ccccc21 ZINC000089540750 401951067 /nfs/dbraw/zinc/95/10/67/401951067.db2.gz CUGKTZYRMVNCNY-LLVKDONJSA-N -1 0 300.270 2.415 50 5 DEBARM COc1ncccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000055617980 402084665 /nfs/dbraw/zinc/08/46/65/402084665.db2.gz QOZLHNIOLZZYDB-UHFFFAOYSA-N -1 0 323.330 2.108 50 5 DEBARM CCn1cc([N-]c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])cn1 ZINC000097083804 402105496 /nfs/dbraw/zinc/10/54/96/402105496.db2.gz ICZFJWWQAGPXHL-UHFFFAOYSA-N -1 0 316.364 2.020 50 5 DEBARM Cc1csc(CCCNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)n1 ZINC000097112679 402108761 /nfs/dbraw/zinc/10/87/61/402108761.db2.gz INKFRVQEGQAZLD-UHFFFAOYSA-N -1 0 321.358 2.428 50 5 DEBARM O=C(NC(=O)c1ccccc1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000097756636 402132025 /nfs/dbraw/zinc/13/20/25/402132025.db2.gz VKHWJCSMOPGTDP-UHFFFAOYSA-N -1 0 301.258 2.262 50 5 DEBARM O=C1[C@@H]2CC(Cl)=CC[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1[O-] ZINC000100571196 402141684 /nfs/dbraw/zinc/14/16/84/402141684.db2.gz JWCLKXPPFHGUJZ-VHSXEESVSA-N -1 0 322.704 2.323 50 5 DEBARM Cc1ncsc1CN(C)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000066650312 402138751 /nfs/dbraw/zinc/13/87/51/402138751.db2.gz RNDMPZAZVZBNKD-UHFFFAOYSA-N -1 0 307.331 2.338 50 5 DEBARM CN(C(=O)c1ccc([O-])c([N+](=O)[O-])c1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000252516857 402657974 /nfs/dbraw/zinc/65/79/74/402657974.db2.gz XJIPXCFLMIGVFO-ZLKJLUDKSA-N -1 0 320.345 2.186 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O=C([O-])c1cccc(Nc2c([N+](=O)[O-])cncc2[N+](=O)[O-])c1 ZINC000004982773 304264878 /nfs/dbraw/zinc/26/48/78/304264878.db2.gz MNYXWPCMJZZEGG-UHFFFAOYSA-N -1 0 304.218 2.340 50 5 DEBARM CC(C)Cn1cc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cn1 ZINC000075198912 401754310 /nfs/dbraw/zinc/75/43/10/401754310.db2.gz WKGTUXBWWHBUSP-UHFFFAOYSA-N -1 0 304.306 2.405 50 5 DEBARM Cc1nc(CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c(C)s1 ZINC000097112961 402108588 /nfs/dbraw/zinc/10/85/88/402108588.db2.gz VKZRODDTXUXWKA-UHFFFAOYSA-N -1 0 307.331 2.304 50 5 DEBARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000005392699 418413249 /nfs/dbraw/zinc/41/32/49/418413249.db2.gz KEVZUSAXJIMECG-UHFFFAOYSA-N -1 0 307.331 2.407 50 5 DEBARM CN(CCc1ccncc1)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000169970866 563901753 /nfs/dbraw/zinc/90/17/53/563901753.db2.gz VMJCOQVUJGTXLV-UHFFFAOYSA-N -1 0 301.302 2.010 50 5 DEBARM COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC000004313710 181096653 /nfs/dbraw/zinc/09/66/53/181096653.db2.gz OVDFQGROIAILDM-WDEREUQCSA-N -1 0 322.317 2.433 50 5 DEBARM O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2c(F)cccc2Cl)[nH]1 ZINC000004501646 181115949 /nfs/dbraw/zinc/11/59/49/181115949.db2.gz QUAVYQNTSIDDLR-SNAWJCMRSA-N -1 0 311.656 2.347 50 5 DEBARM O=C([O-])[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000000334808 304173163 /nfs/dbraw/zinc/17/31/63/304173163.db2.gz KKRVOLQYNMANNM-CYBMUJFWSA-N -1 0 300.270 2.151 50 5 DEBARM Cc1ccc(-n2c3ccccc3cc3c(=O)[n-]c(=O)nc2-3)cc1 ZINC000000521511 401700045 /nfs/dbraw/zinc/70/00/45/401700045.db2.gz WYZFWPOFUJLDFX-UHFFFAOYSA-N -1 0 303.321 2.487 50 5 DEBARM O=C([O-])[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000013624693 401802114 /nfs/dbraw/zinc/80/21/14/401802114.db2.gz YURZNYBGXWPILC-HNNXBMFYSA-N -1 0 314.297 2.079 50 5 DEBARM CNC(=O)c1cnc(/C=C/c2cc([O-])ccc2[N+](=O)[O-])s1 ZINC000089392170 401944760 /nfs/dbraw/zinc/94/47/60/401944760.db2.gz VWQZWMOBERPAHR-GORDUTHDSA-N -1 0 305.315 2.287 50 5 DEBARM 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COc1cc(C(=O)NCCCCCCC(=O)[O-])ccc1[N+](=O)[O-] ZINC000095970464 193466737 /nfs/dbraw/zinc/46/67/37/193466737.db2.gz MUDUEYVHQKMUNQ-UHFFFAOYSA-N -1 0 324.333 2.368 50 5 DEBARM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2nc3ccccc3[nH]2)c1 ZINC000040565530 183103810 /nfs/dbraw/zinc/10/38/10/183103810.db2.gz XILOOQHUGCTNIT-UHFFFAOYSA-N -1 0 318.314 2.272 50 5 DEBARM O=C([O-])c1ccc2c(c1)C(=O)N(c1cccc([N+](=O)[O-])c1)C2=O ZINC000000221636 304251978 /nfs/dbraw/zinc/25/19/78/304251978.db2.gz YPLJCJIUZGTECP-UHFFFAOYSA-N -1 0 312.237 2.094 50 5 DEBARM CCC[C@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000036837663 401908422 /nfs/dbraw/zinc/90/84/22/401908422.db2.gz CEQVXXHZHGDBSZ-VIFPVBQESA-N -1 0 300.698 2.231 50 5 DEBARM CC(C)Cn1cnc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)c1 ZINC000096007291 402046244 /nfs/dbraw/zinc/04/62/44/402046244.db2.gz UGIYPLLAYJSINX-UHFFFAOYSA-N -1 0 324.362 2.248 50 5 DEBARM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(F)cn1 ZINC000069675208 402238280 /nfs/dbraw/zinc/23/82/80/402238280.db2.gz FVGBFWYHTXAGHF-UHFFFAOYSA-N -1 0 311.294 2.238 50 5 DEBARM CC1=CC[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3[O-])C(=O)[C@H]2C1 ZINC000100396942 281686076 /nfs/dbraw/zinc/68/60/76/281686076.db2.gz BMSHSEAZTNOHBB-MNOVXSKESA-N -1 0 302.286 2.146 50 5 DEBARM Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)no1 ZINC000225443087 201710164 /nfs/dbraw/zinc/71/01/64/201710164.db2.gz KMRDRMZFJWFCHU-UHFFFAOYSA-N -1 0 317.710 2.345 50 5 DEBARM O=C([O-])c1ccc([N+](=O)[O-])cc1N1C(=O)c2ccccc2C1=O ZINC000004796046 304251281 /nfs/dbraw/zinc/25/12/81/304251281.db2.gz MPBWFFFLBXSSAX-UHFFFAOYSA-N -1 0 312.237 2.094 50 5 DEBARM O=C([O-])c1cccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 ZINC000000189925 304261030 /nfs/dbraw/zinc/26/10/30/304261030.db2.gz SMTOCEIJVUZIPQ-UHFFFAOYSA-N -1 0 312.237 2.094 50 5 DEBARM CCOC(=O)C1CCN(c2ccc(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000003913787 401724862 /nfs/dbraw/zinc/72/48/62/401724862.db2.gz AYJPRRRYIRRWDZ-UHFFFAOYSA-N -1 0 322.317 2.073 50 5 DEBARM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cccnc2)ccc1Cl ZINC000027587955 401846548 /nfs/dbraw/zinc/84/65/48/401846548.db2.gz SIIWGCRXCLKDRH-UHFFFAOYSA-N -1 0 313.722 2.444 50 5 DEBARM CC(C)c1cc(CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])on1 ZINC000097109065 402108531 /nfs/dbraw/zinc/10/85/31/402108531.db2.gz VQFQUPJZDSJHPJ-UHFFFAOYSA-N -1 0 305.290 2.342 50 5 DEBARM O=[N+]([O-])c1cc([N+](=O)[O-])c([N-]c2cccc(O)c2)c2nonc21 ZINC000006444672 534974087 /nfs/dbraw/zinc/97/40/87/534974087.db2.gz TWNDLNPIWYHOBQ-UHFFFAOYSA-N -1 0 317.217 2.488 50 5 DEBARM CSCC[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)[O-] ZINC000004517197 181118837 /nfs/dbraw/zinc/11/88/37/181118837.db2.gz DOHZIJDJOSBJFP-SECBINFHSA-N -1 0 315.307 2.121 50 5 DEBARM O=C([O-])COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000005513358 181251728 /nfs/dbraw/zinc/25/17/28/181251728.db2.gz FRTWCBCMUWFOSX-UHFFFAOYSA-N -1 0 316.269 2.311 50 5 DEBARM O=C([O-])c1ccc(N2C(=O)c3ccccc3C2=O)cc1[N+](=O)[O-] ZINC000000190999 304246341 /nfs/dbraw/zinc/24/63/41/304246341.db2.gz BKJXNZHEFIQHPJ-UHFFFAOYSA-N -1 0 312.237 2.094 50 5 DEBARM CN(C)c1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000000318710 401694267 /nfs/dbraw/zinc/69/42/67/401694267.db2.gz LNELEUBYDKACJS-UHFFFAOYSA-N -1 0 321.358 2.462 50 5 DEBARM CN(C(=O)c1cccc([N+](=O)[O-])c1[O-])[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000252515053 402657921 /nfs/dbraw/zinc/65/79/21/402657921.db2.gz GKRQPBCFYNBRSP-ZLKJLUDKSA-N -1 0 320.345 2.186 50 5 DEBARM Cc1[nH]nc([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c1C ZINC000096483283 302531451 /nfs/dbraw/zinc/53/14/51/302531451.db2.gz UIZPLHCUAPBAQG-UHFFFAOYSA-N -1 0 324.362 2.352 50 5 DEBARM