smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(C)[C@@H]1CCc2c(sc([N-]C(=O)c3sc4c(cccc4[N+](=O)[O-])c3Cl)c2C(N)=O)C1 ZINC000021596044 195318306 /nfs/dbraw/zinc/31/83/06/195318306.db2.gz NCEPRHFRNFPIBG-SNVBAGLBSA-N -1 3 492.022 6.027 40 5 JKBBHM Cc1ccc([N+](=O)[O-])c([N-]C(=S)NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)c1C ZINC000009064620 554882899 /nfs/dbraw/zinc/88/28/99/554882899.db2.gz LPVFNRWHYIQQHP-UHFFFAOYSA-N -1 3 464.330 5.905 40 5 JKBBHM O=C(NC(=S)[N-]c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000009142348 554935446 /nfs/dbraw/zinc/93/54/46/554935446.db2.gz DUTMQUSGYKJSII-UHFFFAOYSA-N -1 3 470.721 5.942 40 5 JKBBHM Cc1cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc(-c2nc3ccccc3s2)c1[O-] ZINC000010372884 555700513 /nfs/dbraw/zinc/70/05/13/555700513.db2.gz FJMLCRRRIZVQHA-UHFFFAOYSA-N -1 3 473.554 6.336 40 5 JKBBHM Cc1ccc([N-]C(=S)NC(=O)C=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)c([N+](=O)[O-])c1 ZINC000014274565 555777110 /nfs/dbraw/zinc/77/71/10/555777110.db2.gz SVWWYAJKTATGJN-WEVVVXLNSA-N -1 3 476.341 5.996 40 5 JKBBHM Cc1ccc([C@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1 ZINC000101147922 569784666 /nfs/dbraw/zinc/78/46/66/569784666.db2.gz TZGJHJKWADXIOC-GSDHBNRESA-N -1 3 479.492 5.108 40 5 JKBBHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@@H]3c2c(F)cccc2Cl)c(C)c1 ZINC000101239991 569787941 /nfs/dbraw/zinc/78/79/41/569787941.db2.gz XRNUNXKWWYCCAH-ZRBLBEILSA-N -1 3 495.894 5.055 40 5 JKBBHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)c([N+](=O)[O-])c1)ON(c1ccccc1)[C@H]2c1cccc2ccccc21 ZINC000102706934 569816538 /nfs/dbraw/zinc/81/65/38/569816538.db2.gz SRLUQNQQGCXAOS-SDHOMARFSA-N -1 3 499.910 5.453 40 5 JKBBHM O=C1[C@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@@H]2c1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000102723449 569817392 /nfs/dbraw/zinc/81/73/92/569817392.db2.gz YAGSEIQCOXLKEW-SDHSZQHLSA-N -1 3 497.532 5.374 40 5 JKBBHM O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])o1 ZINC000224616934 569950949 /nfs/dbraw/zinc/95/09/49/569950949.db2.gz CDDBMLILDHTNSJ-XZOQPEGZSA-N -1 3 458.499 5.133 40 5 JKBBHM O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3[O-])o2)c1 ZINC000224623643 569951257 /nfs/dbraw/zinc/95/12/57/569951257.db2.gz ZSVZKWBFZZDXDG-DHIUTWEWSA-N -1 3 458.499 5.133 40 5 JKBBHM O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3[O-])o2)cc1 ZINC000224624001 569951273 /nfs/dbraw/zinc/95/12/73/569951273.db2.gz JBAJRQOQGINFID-GOTSBHOMSA-N -1 3 458.499 5.133 40 5 JKBBHM O=[N+]([O-])c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])cc1 ZINC000224879207 569961517 /nfs/dbraw/zinc/96/15/17/569961517.db2.gz RCKBMUYYZRGYHO-DHIUTWEWSA-N -1 3 491.960 5.317 40 5 JKBBHM O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])o1 ZINC000224881274 569961730 /nfs/dbraw/zinc/96/17/30/569961730.db2.gz KMORXUVTJRITEM-DHIUTWEWSA-N -1 3 492.944 5.786 40 5 JKBBHM O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3[O-])o2)cc1 ZINC000224887426 569961881 /nfs/dbraw/zinc/96/18/81/569961881.db2.gz BALQOEMNPSHEND-XZOQPEGZSA-N -1 3 492.944 5.786 40 5 JKBBHM O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3[O-])o2)c1 ZINC000224887213 569961887 /nfs/dbraw/zinc/96/18/87/569961887.db2.gz NPBMPCFBKHGKTC-PKTZIBPZSA-N -1 3 492.944 5.786 40 5 JKBBHM O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3[O-])o2)c1 ZINC000224887251 569961941 /nfs/dbraw/zinc/96/19/41/569961941.db2.gz NPBMPCFBKHGKTC-XZOQPEGZSA-N -1 3 492.944 5.786 40 5 JKBBHM O=C1c2cccc3c(Nc4cccc(Cl)c4)c([N+](=O)[O-])cc(c23)C(=O)N1c1cccc([O-])c1 ZINC000408757897 570036105 /nfs/dbraw/zinc/03/61/05/570036105.db2.gz RYDUXZJDNYRHOM-UHFFFAOYSA-N -1 3 459.845 5.651 40 5 JKBBHM O=C1c2cccc3c(Nc4ccccc4Cl)c([N+](=O)[O-])cc(c23)C(=O)N1c1ccccc1[O-] ZINC000408996206 570095451 /nfs/dbraw/zinc/09/54/51/570095451.db2.gz LKXUZWXLLGOASC-UHFFFAOYSA-N -1 3 459.845 5.651 40 5 JKBBHM O=C1[N-]C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C(=O)N1c1ccc(Cl)cc1 ZINC000409172511 570155398 /nfs/dbraw/zinc/15/53/98/570155398.db2.gz JPXQSFLWEUQFIX-YVLHZVERSA-N -1 3 488.681 5.368 40 5 JKBBHM CC(C)(C)[C@H]1CCc2c(sc([N-]C(=O)c3sc4c(cccc4[N+](=O)[O-])c3Cl)c2C(N)=O)C1 ZINC000021596045 195318352 /nfs/dbraw/zinc/31/83/52/195318352.db2.gz NCEPRHFRNFPIBG-JTQLQIEISA-N -1 3 492.022 6.027 40 5 JKBBHM O=C1[N-]C(=O)c2c1c1c3cc(Br)ccc3[nH]c1c1[nH]c3ccc(Br)cc3c12 ZINC000000839175 553792827 /nfs/dbraw/zinc/79/28/27/553792827.db2.gz DDKVYBNYFAHHSK-UHFFFAOYSA-N -1 3 483.119 5.364 40 5 JKBBHM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1)c1ccccc1 ZINC000000851581 553798588 /nfs/dbraw/zinc/79/85/88/553798588.db2.gz YDGDEOVXCRDEAO-UHFFFAOYSA-N -1 3 489.509 5.440 40 5 JKBBHM Cc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@@H]3c2ccc(Cl)cc2Cl)c1 ZINC000009328788 555099631 /nfs/dbraw/zinc/09/96/31/555099631.db2.gz BITHNFCOBAMDHH-VSKRKVRLSA-N -1 3 498.322 5.261 40 5 JKBBHM Cc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@H]3c2ccc(Cl)cc2Cl)c1 ZINC000013769351 555613758 /nfs/dbraw/zinc/61/37/58/555613758.db2.gz BITHNFCOBAMDHH-FSSWDIPSSA-N -1 3 498.322 5.261 40 5 JKBBHM O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)NC(=S)[N-]c1ccccc1[N+](=O)[O-] ZINC000014269788 555760330 /nfs/dbraw/zinc/76/03/30/555760330.db2.gz ASJNFINZVCLKLC-JXMROGBWSA-N -1 3 462.314 5.688 40 5 JKBBHM Cc1cc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2C)cc(-c2nc3ccccc3s2)c1[O-] ZINC000014275101 555779465 /nfs/dbraw/zinc/77/94/65/555779465.db2.gz BTJSFQCMEIGMMT-UHFFFAOYSA-N -1 3 478.555 5.321 40 5 JKBBHM Cc1cc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc(-c2nc3ncccc3o2)c1[O-] ZINC000016269617 556132016 /nfs/dbraw/zinc/13/20/16/556132016.db2.gz XXBOXZQAZYBBFS-UHFFFAOYSA-N -1 3 456.414 5.324 40 5 JKBBHM COc1cc(/C=C/c2cc(/C=C\c3ccc(O)c(OC)c3)c([N+](=O)[O-])cc2[N+](=O)[O-])ccc1[O-] ZINC000016926272 556180649 /nfs/dbraw/zinc/18/06/49/556180649.db2.gz GKVKPJCQVGGHRF-KYPMKJFLSA-N -1 3 464.430 5.272 40 5 JKBBHM O=C(NC(=S)[N-]c1ccc(Cl)cc1[N+](=O)[O-])c1sc2cc(Cl)ccc2c1Cl ZINC000033693408 569630962 /nfs/dbraw/zinc/63/09/62/569630962.db2.gz KNXUZHBSFRMWAN-UHFFFAOYSA-N -1 3 460.751 5.897 40 5 JKBBHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(C)cc4)c3[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000035147434 569675995 /nfs/dbraw/zinc/67/59/95/569675995.db2.gz BXCNNDUMKQHOIO-VWLOTQADSA-N -1 3 482.496 5.220 40 5 JKBBHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(C)cc4)c3[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000035147434 569675997 /nfs/dbraw/zinc/67/59/97/569675997.db2.gz BXCNNDUMKQHOIO-VWLOTQADSA-N -1 3 482.496 5.220 40 5 JKBBHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(C)cc4)c3[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000036619631 569778679 /nfs/dbraw/zinc/77/86/79/569778679.db2.gz FZQSDUUYNATYJZ-VWLOTQADSA-N -1 3 482.496 5.220 40 5 JKBBHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(C)cc4)c3[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000036619631 569778680 /nfs/dbraw/zinc/77/86/80/569778680.db2.gz FZQSDUUYNATYJZ-VWLOTQADSA-N -1 3 482.496 5.220 40 5 JKBBHM O=C1[C@@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@@H]2c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000102741965 569819128 /nfs/dbraw/zinc/81/91/28/569819128.db2.gz KHIKRHXUAYKXPT-GVAUOCQISA-N -1 3 499.454 5.045 40 5 JKBBHM Cc1ccc([C@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1 ZINC000102752878 569821133 /nfs/dbraw/zinc/82/11/33/569821133.db2.gz TZGJHJKWADXIOC-UODIDJSMSA-N -1 3 479.492 5.108 40 5 JKBBHM O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3[O-])o2)c1 ZINC000224623785 569951207 /nfs/dbraw/zinc/95/12/07/569951207.db2.gz ZSVZKWBFZZDXDG-GOTSBHOMSA-N -1 3 458.499 5.133 40 5 JKBBHM O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3[O-])o2)c1 ZINC000224623742 569951247 /nfs/dbraw/zinc/95/12/47/569951247.db2.gz ZSVZKWBFZZDXDG-XZOQPEGZSA-N -1 3 458.499 5.133 40 5 JKBBHM O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])o1 ZINC000224881379 569961695 /nfs/dbraw/zinc/96/16/95/569961695.db2.gz KMORXUVTJRITEM-GOTSBHOMSA-N -1 3 492.944 5.786 40 5 JKBBHM O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3[O-])o2)cc1 ZINC000224887349 569961895 /nfs/dbraw/zinc/96/18/95/569961895.db2.gz BALQOEMNPSHEND-DHIUTWEWSA-N -1 3 492.944 5.786 40 5 JKBBHM O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3[O-])o2)c1 ZINC000224887294 569961943 /nfs/dbraw/zinc/96/19/43/569961943.db2.gz NPBMPCFBKHGKTC-GOTSBHOMSA-N -1 3 492.944 5.786 40 5 JKBBHM O=C1[N-]C(=Cc2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)C(=O)N1c1cccc(Cl)c1 ZINC000409069054 570117582 /nfs/dbraw/zinc/11/75/82/570117582.db2.gz VSFCFRPGIQSJOX-FRKPEAEDSA-N -1 3 478.675 5.912 40 5 JKBBHM Cc1ccc(-n2c(SCC(=O)Nc3ccc(F)c([N+](=O)[O-])c3)nnc2-c2ccccc2[O-])c(C)c1 ZINC000408545096 570192638 /nfs/dbraw/zinc/19/26/38/570192638.db2.gz OVDRBVGHPURKGX-UHFFFAOYSA-N -1 3 493.520 5.035 40 5 JKBBHM COc1cccc(/C=C/c2cc(/C=C/c3cccc(OC)c3O)c([N+](=O)[O-])cc2[N+](=O)[O-])c1[O-] ZINC000003845214 194364074 /nfs/dbraw/zinc/36/40/74/194364074.db2.gz YZYNABGODDZXGG-WGDLNXRISA-N -1 3 464.430 5.272 40 5 JKBBHM COc1c([N+](=O)[O-])cc([N-]C(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1[N+](=O)[O-] ZINC000021124370 195280194 /nfs/dbraw/zinc/28/01/94/195280194.db2.gz UFRXMFQCIADRFH-UHFFFAOYSA-N -1 3 452.206 5.331 40 5 JKBBHM O=C([N-]c1cc(-c2nc3ccccc3[nH]2)ccc1Cl)c1sc2c(cccc2[N+](=O)[O-])c1Cl ZINC000059294262 195396932 /nfs/dbraw/zinc/39/69/32/195396932.db2.gz UZUCWZSCHGXERT-UHFFFAOYSA-N -1 3 483.336 6.912 40 5 JKBBHM CCCCOC(=O)c1ccc([N-]c2nc(C)c([N+](=O)[O-])c(Nc3ccccc3OC)n2)cc1 ZINC000006077972 554502808 /nfs/dbraw/zinc/50/28/08/554502808.db2.gz ZSJHTGBXGIEUDC-UHFFFAOYSA-N -1 3 451.483 5.146 40 5 JKBBHM Cc1ccc([N+](=O)[O-])c([N-]C(=S)NC(=O)C=Cc2ccc(-c3cccc(Cl)c3Cl)o2)c1C ZINC000008833070 554729603 /nfs/dbraw/zinc/72/96/03/554729603.db2.gz NPGFUOZMCOBKDO-DHZHZOJOSA-N -1 3 490.368 6.305 40 5 JKBBHM COc1ccc([N-]C(=S)NC(=O)C=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)c([N+](=O)[O-])c1 ZINC000008833092 554729628 /nfs/dbraw/zinc/72/96/28/554729628.db2.gz ZWJDINVECNSPLP-WEVVVXLNSA-N -1 3 492.340 5.697 40 5 JKBBHM Cc1ccc(C(=O)NC(=S)Nc2cc(C)c([O-])c(-c3nc4ccccc4s3)c2)cc1[N+](=O)[O-] ZINC000008835160 554733502 /nfs/dbraw/zinc/73/35/02/554733502.db2.gz IOYYUQHOGZSTEV-UHFFFAOYSA-N -1 3 478.555 5.321 40 5 JKBBHM Cc1cc2nc(-c3cc(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4C)ccc3[O-])oc2c(C)c1 ZINC000008835196 554733736 /nfs/dbraw/zinc/73/37/36/554733736.db2.gz KKQCFFLHUBKRCY-UHFFFAOYSA-N -1 3 476.514 5.161 40 5 JKBBHM Cc1ccc([N-]C(=S)NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c([N+](=O)[O-])c1 ZINC000014269973 555760909 /nfs/dbraw/zinc/76/09/09/555760909.db2.gz RRNANEIAYYHMIG-UHFFFAOYSA-N -1 3 450.303 5.597 40 5 JKBBHM CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4C)ccc3[O-])nc2c1 ZINC000014275191 555780136 /nfs/dbraw/zinc/78/01/36/555780136.db2.gz SNSPZIVTVJYBBR-UHFFFAOYSA-N -1 3 476.514 5.106 40 5 JKBBHM CCCCOC(=O)c1ccc2nc([N-]C(=O)c3sc4c(cccc4[N+](=O)[O-])c3Cl)sc2c1 ZINC000020411474 555789026 /nfs/dbraw/zinc/78/90/26/555789026.db2.gz HDNFCXJWCCBOOQ-UHFFFAOYSA-N -1 3 489.962 6.282 40 5 JKBBHM Cc1cc2nc(-c3cc(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4C)ccc3[O-])oc2cc1C ZINC000016284191 556132830 /nfs/dbraw/zinc/13/28/30/556132830.db2.gz ZCLSLEXQACXMFM-UHFFFAOYSA-N -1 3 476.514 5.161 40 5 JKBBHM Cc1cccc2c([O-])c3c(=O)cc(OC(=O)[C@H]4CC[C@H](CNC(=O)OC(C)(C)C)CC4)cc-3oc12 ZINC000101375417 569795191 /nfs/dbraw/zinc/79/51/91/569795191.db2.gz CWTXTJDQLLCPHB-CALCHBBNSA-N -1 3 481.545 5.197 40 5 JKBBHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)c([N+](=O)[O-])c1)ON(c1ccccc1)[C@H]2c1cccc2ccccc21 ZINC000102706940 569816572 /nfs/dbraw/zinc/81/65/72/569816572.db2.gz SRLUQNQQGCXAOS-DSITVLBTSA-N -1 3 499.910 5.453 40 5 JKBBHM Cc1ccc([N+](=O)[O-])c([N-]C(=S)NC(=O)c2sc3cc(Cl)ccc3c2Cl)c1C ZINC000108018806 569858253 /nfs/dbraw/zinc/85/82/53/569858253.db2.gz WFGAAHXTFNUXFI-UHFFFAOYSA-N -1 3 454.360 5.860 40 5 JKBBHM O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])o1 ZINC000224616977 569950967 /nfs/dbraw/zinc/95/09/67/569950967.db2.gz CDDBMLILDHTNSJ-GOTSBHOMSA-N -1 3 458.499 5.133 40 5 JKBBHM COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])o1 ZINC000224620370 569951099 /nfs/dbraw/zinc/95/10/99/569951099.db2.gz JCAIRPQIFBVVFP-RPWUZVMVSA-N -1 3 488.525 5.141 40 5 JKBBHM O=[N+]([O-])c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])cc1 ZINC000224879287 569961467 /nfs/dbraw/zinc/96/14/67/569961467.db2.gz RCKBMUYYZRGYHO-XZOQPEGZSA-N -1 3 491.960 5.317 40 5 JKBBHM COc1ccc(-c2nc([N-]C(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])sc2-c2ccccc2)cc1 ZINC000408722386 570027318 /nfs/dbraw/zinc/02/73/18/570027318.db2.gz IBAADQHGCYPNEL-UHFFFAOYSA-N -1 3 476.470 5.554 40 5 JKBBHM O=C1c2cccc3c(Nc4ccc(Cl)cc4)c([N+](=O)[O-])cc(c23)C(=O)N1c1ccc([O-])cc1 ZINC000408755283 570035377 /nfs/dbraw/zinc/03/53/77/570035377.db2.gz CVKDYYVNYSZIJL-UHFFFAOYSA-N -1 3 459.845 5.651 40 5 JKBBHM Cc1c(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3Cl)cc2)cccc1[N+](=O)[O-] ZINC000408576029 570205805 /nfs/dbraw/zinc/20/58/05/570205805.db2.gz MBIASQLRXVWEFK-UHFFFAOYSA-N -1 3 480.329 5.263 40 5 JKBBHM COc1ccc(-c2csc([N-]C(=O)c3sc4c(cccc4[N+](=O)[O-])c3Cl)n2)cc1OC ZINC000021595504 195317885 /nfs/dbraw/zinc/31/78/85/195317885.db2.gz ANVXMEHKHSRNGM-UHFFFAOYSA-N -1 3 475.935 5.856 40 5 JKBBHM O=C1[C@@H]2C(=C([O-])N1c1cccc(-c3ccccc3)c1)ON(c1ccccc1)[C@H]2c1ccccc1[N+](=O)[O-] ZINC000096298271 130052568 /nfs/dbraw/zinc/05/25/68/130052568.db2.gz JRARFLXUKCVKRZ-QKDODKLFSA-N -1 3 491.503 5.313 40 5 JKBBHM CC(C)(C)c1ccc(C(=O)c2cccc([N-]S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)c2)cc1 ZINC000020460947 519023844 /nfs/dbraw/zinc/02/38/44/519023844.db2.gz KOKAZHMXDUNNGX-UHFFFAOYSA-N -1 3 452.532 5.065 40 5 JKBBHM Cc1ccc([N-]C(=S)NC(=O)C=Cc2ccc(-c3cc(Cl)cc(Cl)c3)o2)c([N+](=O)[O-])c1 ZINC000008833303 554730559 /nfs/dbraw/zinc/73/05/59/554730559.db2.gz PSWDWPXPJHARAK-QPJJXVBHSA-N -1 3 476.341 5.996 40 5 JKBBHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@@H]3c2c(F)cccc2Cl)c(C)c1 ZINC000009344767 555110064 /nfs/dbraw/zinc/11/00/64/555110064.db2.gz XRNUNXKWWYCCAH-ZLNRFVROSA-N -1 3 495.894 5.055 40 5 JKBBHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)cc2Cl)cc1 ZINC000020111129 555647789 /nfs/dbraw/zinc/64/77/89/555647789.db2.gz SZHNXVFLBDKFTO-UHFFFAOYSA-N -1 3 480.329 5.263 40 5 JKBBHM COc1ccc([N-]C(=S)NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c([N+](=O)[O-])c1 ZINC000014269972 555760687 /nfs/dbraw/zinc/76/06/87/555760687.db2.gz LVDGEHCZNZYBFC-UHFFFAOYSA-N -1 3 466.302 5.297 40 5 JKBBHM Cc1cc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)cc(-c2nc3ccccc3s2)c1[O-] ZINC000014270225 555761867 /nfs/dbraw/zinc/76/18/67/555761867.db2.gz VTYNFVHSHRTABG-UHFFFAOYSA-N -1 3 464.528 5.012 40 5 JKBBHM Cc1ccc([N-]C(=S)NC(=O)C=Cc2ccc(-c3ccc(C)c(Cl)c3)o2)c([N+](=O)[O-])c1 ZINC000022537783 555934181 /nfs/dbraw/zinc/93/41/81/555934181.db2.gz MHTIYINWBDIBQV-JXMROGBWSA-N -1 3 455.923 5.651 40 5 JKBBHM COc1ccc(C(=O)NC(=S)Nc2cc(C)c([O-])c(-c3nc4ccccc4s3)c2)cc1[N+](=O)[O-] ZINC000022753394 555953383 /nfs/dbraw/zinc/95/33/83/555953383.db2.gz BSQIZVBFCAZMKY-UHFFFAOYSA-N -1 3 494.554 5.021 40 5 JKBBHM O=C(COc1ccc([N+](=O)[O-])cc1)[N-]C(=S)N(c1ccccc1)c1ccc2ccccc2c1 ZINC000016487867 556140632 /nfs/dbraw/zinc/14/06/32/556140632.db2.gz ZWENDLTYXXCZMZ-UHFFFAOYSA-N -1 3 457.511 5.366 40 5 JKBBHM COc1ccc([N-]C(=S)NC(=O)c2sc3cc(Cl)ccc3c2Cl)c([N+](=O)[O-])c1 ZINC000033794141 569635329 /nfs/dbraw/zinc/63/53/29/569635329.db2.gz VHUNIIHMZMTLAH-UHFFFAOYSA-N -1 3 456.332 5.252 40 5 JKBBHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2c3ccccc3cc3ccccc32)cc1 ZINC000035829933 569713241 /nfs/dbraw/zinc/71/32/41/569713241.db2.gz JPCDTXWJEMQXSW-OCBJUFRSSA-N -1 3 484.555 6.353 40 5 JKBBHM O=C([N-]c1nc(-c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)s1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000105576358 569853191 /nfs/dbraw/zinc/85/31/91/569853191.db2.gz KMQRNRKGXBCUCE-UHFFFAOYSA-N -1 3 491.441 5.454 40 5 JKBBHM O=[N+]([O-])c1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c1 ZINC000224879016 569961500 /nfs/dbraw/zinc/96/15/00/569961500.db2.gz ILDRYYWQAOJYQP-DHIUTWEWSA-N -1 3 491.960 5.317 40 5 JKBBHM O=C1c2cccc3c(Nc4ccc(Cl)cc4)c([N+](=O)[O-])cc(c23)C(=O)N1c1ccccc1[O-] ZINC000408755287 570035285 /nfs/dbraw/zinc/03/52/85/570035285.db2.gz DBTLUVNAROSSIT-UHFFFAOYSA-N -1 3 459.845 5.651 40 5 JKBBHM O=C1c2cccc3c(Nc4ccc(Cl)cc4)c([N+](=O)[O-])cc(c23)C(=O)N1c1cccc([O-])c1 ZINC000408758100 570036091 /nfs/dbraw/zinc/03/60/91/570036091.db2.gz VHHRPNVMGQDSOI-UHFFFAOYSA-N -1 3 459.845 5.651 40 5 JKBBHM O=C1c2cccc3c(Nc4ccccc4Cl)c([N+](=O)[O-])cc(c23)C(=O)N1c1ccc([O-])cc1 ZINC000408995524 570095385 /nfs/dbraw/zinc/09/53/85/570095385.db2.gz AUILPBLZERZPAI-UHFFFAOYSA-N -1 3 459.845 5.651 40 5 JKBBHM O=C1[N-]C(=Cc2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)C(=O)N1c1ccc(Cl)cc1 ZINC000409174393 570156205 /nfs/dbraw/zinc/15/62/05/570156205.db2.gz RWIHKDOELQWASK-FRKPEAEDSA-N -1 3 478.675 5.912 40 5 JKBBHM O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1 ZINC000409179784 570158537 /nfs/dbraw/zinc/15/85/37/570158537.db2.gz SJUVEUQTSZIBOR-KGVSQERTSA-N -1 3 492.340 5.354 40 5 JKBBHM Cc1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3Cl)cc2)ccc1[N+](=O)[O-] ZINC000408576480 570205954 /nfs/dbraw/zinc/20/59/54/570205954.db2.gz VZCORRVETRSQNV-UHFFFAOYSA-N -1 3 480.329 5.263 40 5 JKBBHM Cc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@@H]3c2ccc(Cl)cc2Cl)c1 ZINC000096297413 130052100 /nfs/dbraw/zinc/05/21/00/130052100.db2.gz BITHNFCOBAMDHH-BDTNDASRSA-N -1 3 498.322 5.261 40 5 JKBBHM O=C1[C@@H]2C(=C([O-])N1c1cccc(-c3ccccc3)c1)ON(c1ccccc1)[C@@H]2c1ccccc1[N+](=O)[O-] ZINC000096298272 130052657 /nfs/dbraw/zinc/05/26/57/130052657.db2.gz JRARFLXUKCVKRZ-VJGNERBWSA-N -1 3 491.503 5.313 40 5 JKBBHM COc1c(Br)c2ccccc2cc1C(=O)NC(=S)[N-]c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000008833224 554730400 /nfs/dbraw/zinc/73/04/00/554730400.db2.gz BMQJKYMVBJMAPQ-UHFFFAOYSA-N -1 3 488.363 5.263 40 5 JKBBHM COc1ccc([N-]C(=S)NC(=O)C=Cc2ccc(-c3cc(Cl)cc(Cl)c3)o2)c([N+](=O)[O-])c1 ZINC000008833302 554730529 /nfs/dbraw/zinc/73/05/29/554730529.db2.gz MAULISZOHVJFTA-QPJJXVBHSA-N -1 3 492.340 5.697 40 5 JKBBHM O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)NC(=S)[N-]c1ccccc1[N+](=O)[O-] ZINC000009064842 554883739 /nfs/dbraw/zinc/88/37/39/554883739.db2.gz RKNBICTUPPXXQV-SOFGYWHQSA-N -1 3 462.314 5.688 40 5 JKBBHM O=C1[C@H]2C(=C([O-])N1c1cccc(-c3ccccc3)c1)ON(c1ccccc1)[C@H]2c1ccccc1[N+](=O)[O-] ZINC000013810922 555626510 /nfs/dbraw/zinc/62/65/10/555626510.db2.gz JRARFLXUKCVKRZ-PVHODMMVSA-N -1 3 491.503 5.313 40 5 JKBBHM O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)NC(=S)[N-]c1ccc(Cl)cc1[N+](=O)[O-] ZINC000014274560 555777133 /nfs/dbraw/zinc/77/71/33/555777133.db2.gz JKKQXHNKVPUKQE-XBXARRHUSA-N -1 3 496.759 6.341 40 5 JKBBHM O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)NC(=S)[N-]c1ccc(Cl)cc1[N+](=O)[O-] ZINC000014274974 555778995 /nfs/dbraw/zinc/77/89/95/555778995.db2.gz GYEKNUIYSVHLAG-ZZXKWVIFSA-N -1 3 496.759 6.341 40 5 JKBBHM O=C([N-]c1nc(-c2cccc3ccccc32)cs1)c1sc2c(cccc2[N+](=O)[O-])c1Cl ZINC000021595434 555853354 /nfs/dbraw/zinc/85/33/54/555853354.db2.gz RVMWOFVUEIATLR-UHFFFAOYSA-N -1 3 465.943 6.992 40 5 JKBBHM Cc1ccc([C@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1 ZINC000018037554 556278317 /nfs/dbraw/zinc/27/83/17/556278317.db2.gz TZGJHJKWADXIOC-ZNZIZOMTSA-N -1 3 479.492 5.108 40 5 JKBBHM O=C([N-]c1cc2nn(-c3ccccc3)nc2cc1Cl)c1sc2c(cccc2[N+](=O)[O-])c1Cl ZINC000057313474 569596670 /nfs/dbraw/zinc/59/66/70/569596670.db2.gz GNQZYUPDDQYQBJ-UHFFFAOYSA-N -1 3 484.324 6.103 40 5 JKBBHM O=C([N-]c1ccc(I)cc1F)c1sc2c(cccc2[N+](=O)[O-])c1Cl ZINC000059294438 569602506 /nfs/dbraw/zinc/60/25/06/569602506.db2.gz UXQWRQICVDHYKU-UHFFFAOYSA-N -1 3 476.654 5.459 40 5 JKBBHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(C)cc4)c3[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000035147432 569675981 /nfs/dbraw/zinc/67/59/81/569675981.db2.gz BXCNNDUMKQHOIO-RUZDIDTESA-N -1 3 482.496 5.220 40 5 JKBBHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(C)cc4)c3[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000035147432 569675983 /nfs/dbraw/zinc/67/59/83/569675983.db2.gz BXCNNDUMKQHOIO-RUZDIDTESA-N -1 3 482.496 5.220 40 5 JKBBHM COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])o1 ZINC000224620412 569951123 /nfs/dbraw/zinc/95/11/23/569951123.db2.gz JCAIRPQIFBVVFP-BJKOFHAPSA-N -1 3 488.525 5.141 40 5 JKBBHM O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3[O-])o2)c1 ZINC000224623694 569951231 /nfs/dbraw/zinc/95/12/31/569951231.db2.gz ZSVZKWBFZZDXDG-PKTZIBPZSA-N -1 3 458.499 5.133 40 5 JKBBHM O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3[O-])o2)cc1 ZINC000224623855 569951299 /nfs/dbraw/zinc/95/12/99/569951299.db2.gz JBAJRQOQGINFID-DHIUTWEWSA-N -1 3 458.499 5.133 40 5 JKBBHM O=[N+]([O-])c1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c1 ZINC000224879102 569961483 /nfs/dbraw/zinc/96/14/83/569961483.db2.gz ILDRYYWQAOJYQP-XZOQPEGZSA-N -1 3 491.960 5.317 40 5 JKBBHM O=[N+]([O-])c1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])cc1 ZINC000224879249 569961494 /nfs/dbraw/zinc/96/14/94/569961494.db2.gz RCKBMUYYZRGYHO-PKTZIBPZSA-N -1 3 491.960 5.317 40 5 JKBBHM O=[N+]([O-])c1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c1 ZINC000224879149 569961531 /nfs/dbraw/zinc/96/15/31/569961531.db2.gz ILDRYYWQAOJYQP-GOTSBHOMSA-N -1 3 491.960 5.317 40 5 JKBBHM O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])o1 ZINC000224881312 569961687 /nfs/dbraw/zinc/96/16/87/569961687.db2.gz KMORXUVTJRITEM-PKTZIBPZSA-N -1 3 492.944 5.786 40 5 JKBBHM O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])o1 ZINC000224881346 569961697 /nfs/dbraw/zinc/96/16/97/569961697.db2.gz KMORXUVTJRITEM-XZOQPEGZSA-N -1 3 492.944 5.786 40 5 JKBBHM O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3[O-])o2)c1 ZINC000224887171 569961911 /nfs/dbraw/zinc/96/19/11/569961911.db2.gz NPBMPCFBKHGKTC-DHIUTWEWSA-N -1 3 492.944 5.786 40 5 JKBBHM O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1 ZINC000408921010 570077150 /nfs/dbraw/zinc/07/71/50/570077150.db2.gz BADYWCNREVZIJT-AWNIVKPZSA-N -1 3 492.340 5.354 40 5 JKBBHM O=c1[n-]c(-c2cc(Br)ccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nc2ccccc12 ZINC000409261835 570187630 /nfs/dbraw/zinc/18/76/30/570187630.db2.gz DKRHBWUPCDVPSX-UHFFFAOYSA-N -1 3 483.234 5.374 40 5 JKBBHM O=c1[n-]c(-c2cc(Br)ccc2OCc2ccccc2[N+](=O)[O-])nc2ccccc12 ZINC000409262190 570187825 /nfs/dbraw/zinc/18/78/25/570187825.db2.gz DDBOLBPHKDPMHJ-UHFFFAOYSA-N -1 3 452.264 5.252 40 5 JKBBHM Cc1ccc(-n2c(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)nnc2-c2ccccc2[O-])c(C)c1 ZINC000408544278 570192454 /nfs/dbraw/zinc/19/24/54/570192454.db2.gz UYCWCXQDUMXDPB-UHFFFAOYSA-N -1 3 489.557 5.204 40 5 JKBBHM Cc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@H]3c2ccc(Cl)cc2Cl)c1 ZINC000096297411 130052123 /nfs/dbraw/zinc/05/21/23/130052123.db2.gz BITHNFCOBAMDHH-FKBYEOEOSA-N -1 3 498.322 5.261 40 5 JKBBHM O=C(Nc1ccccc1[O-])c1ccc(Oc2cc(Oc3cccc(Cl)c3)cc([N+](=O)[O-])c2)cc1 ZINC000001082892 553905892 /nfs/dbraw/zinc/90/58/92/553905892.db2.gz QLUNBFROMOKLHY-UHFFFAOYSA-N -1 3 476.872 6.791 40 5 JKBBHM COc1c(Br)c2ccccc2cc1C(=O)NC(=S)[N-]c1ccc(Cl)cc1[N+](=O)[O-] ZINC000008833223 554730420 /nfs/dbraw/zinc/73/04/20/554730420.db2.gz GVCPTJJEWIWBEQ-UHFFFAOYSA-N -1 3 494.754 5.299 40 5 JKBBHM CC(C)OC(=O)c1ccc2nc([N-]C(=O)c3sc4c(cccc4[N+](=O)[O-])c3Cl)sc2c1 ZINC000008903664 554797723 /nfs/dbraw/zinc/79/77/23/554797723.db2.gz TZBVWIUSRITOSQ-UHFFFAOYSA-N -1 3 475.935 5.890 40 5 JKBBHM Cc1ccc([N+](=O)[O-])c([N-]C(=S)NC(=O)c2cccc3c(Br)cccc23)c1C ZINC000009064585 554882690 /nfs/dbraw/zinc/88/26/90/554882690.db2.gz DZBCTCSKMZPWCH-UHFFFAOYSA-N -1 3 458.337 5.254 40 5 JKBBHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2c3ccccc3cc3ccccc32)cc1 ZINC000013759321 555612165 /nfs/dbraw/zinc/61/21/65/555612165.db2.gz JPCDTXWJEMQXSW-DTXPUJKBSA-N -1 3 484.555 6.353 40 5 JKBBHM Cc1cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc(-c2nc3ccccc3o2)c1[O-] ZINC000010372883 555700549 /nfs/dbraw/zinc/70/05/49/555700549.db2.gz WIOVTJDHBWRPSB-UHFFFAOYSA-N -1 3 457.486 5.868 40 5 JKBBHM Cc1ccc([N-]C(=S)NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)c([N+](=O)[O-])c1 ZINC000014269450 555759199 /nfs/dbraw/zinc/75/91/99/555759199.db2.gz NHWHYIWRPDZWQV-UHFFFAOYSA-N -1 3 450.303 5.597 40 5 JKBBHM Cc1ccc([N+](=O)[O-])c([N-]C(=S)NC(=O)C=Cc2ccc(-c3cc(Cl)cc(Cl)c3)o2)c1C ZINC000014274978 555778969 /nfs/dbraw/zinc/77/89/69/555778969.db2.gz JJVUATGZFUGKNT-VMPITWQZSA-N -1 3 490.368 6.305 40 5 JKBBHM O=C(c1ccccc1)c1cc2c(ccc3ccccc32)[o+]c1C=Cc1c([O-])ccc2ccccc21 ZINC000016476975 556140032 /nfs/dbraw/zinc/14/00/32/556140032.db2.gz YPZPMEPZKJQBBS-UHFFFAOYSA-O -1 3 453.517 8.127 40 5 JKBBHM CCCCOC(=O)c1ccc([N-]c2nc(C)c([N+](=O)[O-])c(Nc3ccc(OCC)cc3)n2)cc1 ZINC000016639053 556149354 /nfs/dbraw/zinc/14/93/54/556149354.db2.gz OVBXWNNIJQVRTF-UHFFFAOYSA-N -1 3 465.510 5.536 40 5 JKBBHM O=C1[C@H]2C(=C([O-])N1c1cccc3ccccc31)ON(c1ccccc1)[C@@H]2c1cc([N+](=O)[O-])ccc1Cl ZINC000102761718 569822319 /nfs/dbraw/zinc/82/23/19/569822319.db2.gz DBBQJJJRVZFRHU-SDHSZQHLSA-N -1 3 499.910 5.453 40 5 JKBBHM O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])o1 ZINC000224616836 569950986 /nfs/dbraw/zinc/95/09/86/569950986.db2.gz CDDBMLILDHTNSJ-DHIUTWEWSA-N -1 3 458.499 5.133 40 5 JKBBHM COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])o1 ZINC000224620461 569951095 /nfs/dbraw/zinc/95/10/95/569951095.db2.gz JCAIRPQIFBVVFP-ZEQRLZLVSA-N -1 3 488.525 5.141 40 5 JKBBHM O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3[O-])o2)cc1 ZINC000224623948 569951295 /nfs/dbraw/zinc/95/12/95/569951295.db2.gz JBAJRQOQGINFID-XZOQPEGZSA-N -1 3 458.499 5.133 40 5 JKBBHM O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3[O-])o2)cc1 ZINC000224623902 569951306 /nfs/dbraw/zinc/95/13/06/569951306.db2.gz JBAJRQOQGINFID-PKTZIBPZSA-N -1 3 458.499 5.133 40 5 JKBBHM O=[N+]([O-])c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])cc1 ZINC000224879326 569961513 /nfs/dbraw/zinc/96/15/13/569961513.db2.gz RCKBMUYYZRGYHO-GOTSBHOMSA-N -1 3 491.960 5.317 40 5 JKBBHM O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3[O-])o2)cc1 ZINC000224887465 569961913 /nfs/dbraw/zinc/96/19/13/569961913.db2.gz BALQOEMNPSHEND-GOTSBHOMSA-N -1 3 492.944 5.786 40 5 JKBBHM Cc1c(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3Cl)cc2)cccc1[N+](=O)[O-] ZINC000408906929 570071097 /nfs/dbraw/zinc/07/10/97/570071097.db2.gz KQYFCOUUPDSHGA-UHFFFAOYSA-N -1 3 480.329 5.263 40 5 JKBBHM Cc1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3Cl)cc2)ccc1[N+](=O)[O-] ZINC000408574019 570205366 /nfs/dbraw/zinc/20/53/66/570205366.db2.gz HEIBGTVHDPZINV-UHFFFAOYSA-N -1 3 480.329 5.263 40 5 JKBBHM Cc1ccc([N+](=O)[O-])c([N-]C(=S)NC(=O)C=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)c1C ZINC000008833091 554729608 /nfs/dbraw/zinc/72/96/08/554729608.db2.gz YAROVTGERGJLMJ-UXBLZVDNSA-N -1 3 490.368 6.305 40 5 JKBBHM CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccc(C)c([N+](=O)[O-])c4)ccc3[O-])nc2c1 ZINC000008835208 554733789 /nfs/dbraw/zinc/73/37/89/554733789.db2.gz FIPBEKUBMABLBQ-UHFFFAOYSA-N -1 3 476.514 5.106 40 5 JKBBHM O=C(NC(=S)[N-]c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000009142430 554935910 /nfs/dbraw/zinc/93/59/10/554935910.db2.gz CLURXXUQCXJZSZ-UHFFFAOYSA-N -1 3 470.721 5.942 40 5 JKBBHM COc1cc([N+](=O)[O-])cc2sc([N-]C(=O)c3sc4c(cccc4[N+](=O)[O-])c3Cl)nc21 ZINC000010010599 555593036 /nfs/dbraw/zinc/59/30/36/555593036.db2.gz FVWZPORKCWBGND-UHFFFAOYSA-N -1 3 464.868 5.242 40 5 JKBBHM O=C1[C@@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@H]2c1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000013750784 555609297 /nfs/dbraw/zinc/60/92/97/555609297.db2.gz YAGSEIQCOXLKEW-SDHOMARFSA-N -1 3 497.532 5.374 40 5 JKBBHM COc1ccc([N-]C(=S)NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)c([N+](=O)[O-])c1 ZINC000014269448 555759240 /nfs/dbraw/zinc/75/92/40/555759240.db2.gz CSJRSOUNBVQYQS-UHFFFAOYSA-N -1 3 466.302 5.297 40 5 JKBBHM Cc1ccc([N+](=O)[O-])c([N-]C(=S)NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c1C ZINC000014269968 555760714 /nfs/dbraw/zinc/76/07/14/555760714.db2.gz NTTUIUOSLLMQCV-UHFFFAOYSA-N -1 3 464.330 5.905 40 5 JKBBHM COc1ccc([N-]C(=S)NC(=O)C=Cc2ccc(-c3ccc(C)c(Cl)c3)o2)c([N+](=O)[O-])c1 ZINC000022707863 555944277 /nfs/dbraw/zinc/94/42/77/555944277.db2.gz BKDFHYUDLBAYDB-JXMROGBWSA-N -1 3 471.922 5.352 40 5 JKBBHM Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)[N-]c3ccc(Cl)cc3[N+](=O)[O-])o2)cc1Cl ZINC000022712269 555946339 /nfs/dbraw/zinc/94/63/39/555946339.db2.gz SUKAQJBHFCRYHO-RMKNXTFCSA-N -1 3 476.341 5.996 40 5 JKBBHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@H]3c2c(F)cccc2Cl)c(C)c1 ZINC000018113642 556289239 /nfs/dbraw/zinc/28/92/39/556289239.db2.gz XRNUNXKWWYCCAH-VJBWXMMDSA-N -1 3 495.894 5.055 40 5 JKBBHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2c3ccccc3cc3ccccc32)cc1 ZINC000101101595 569782820 /nfs/dbraw/zinc/78/28/20/569782820.db2.gz JPCDTXWJEMQXSW-JBOQNHBVSA-N -1 3 484.555 6.353 40 5 JKBBHM O=C1[C@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@H]2c1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000102723457 569817474 /nfs/dbraw/zinc/81/74/74/569817474.db2.gz YAGSEIQCOXLKEW-DSITVLBTSA-N -1 3 497.532 5.374 40 5 JKBBHM O=C1[C@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@@H]2c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000102741969 569819357 /nfs/dbraw/zinc/81/93/57/569819357.db2.gz KHIKRHXUAYKXPT-SDHSZQHLSA-N -1 3 499.454 5.045 40 5 JKBBHM O=C1[C@@H]2C(=C([O-])N1c1cccc3ccccc31)ON(c1ccccc1)[C@H]2c1cc([N+](=O)[O-])ccc1Cl ZINC000102761716 569822201 /nfs/dbraw/zinc/82/22/01/569822201.db2.gz DBBQJJJRVZFRHU-SDHOMARFSA-N -1 3 499.910 5.453 40 5 JKBBHM O=C1[C@H]2C(=C([O-])N1c1cccc3ccccc31)ON(c1ccccc1)[C@H]2c1cc([N+](=O)[O-])ccc1Cl ZINC000102761715 569822223 /nfs/dbraw/zinc/82/22/23/569822223.db2.gz DBBQJJJRVZFRHU-DSITVLBTSA-N -1 3 499.910 5.453 40 5 JKBBHM O=C1[C@@H]2C(=C([O-])N1c1cccc3ccccc31)ON(c1ccccc1)[C@@H]2c1cc([N+](=O)[O-])ccc1Cl ZINC000102761720 569822329 /nfs/dbraw/zinc/82/23/29/569822329.db2.gz DBBQJJJRVZFRHU-GVAUOCQISA-N -1 3 499.910 5.453 40 5 JKBBHM O=[N+]([O-])c1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c1 ZINC000224879054 569961527 /nfs/dbraw/zinc/96/15/27/569961527.db2.gz ILDRYYWQAOJYQP-PKTZIBPZSA-N -1 3 491.960 5.317 40 5 JKBBHM O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3[O-])o2)cc1 ZINC000224887390 569961930 /nfs/dbraw/zinc/96/19/30/569961930.db2.gz BALQOEMNPSHEND-PKTZIBPZSA-N -1 3 492.944 5.786 40 5 JKBBHM O=C1c2cccc3c(Nc4cccc(Cl)c4)c([N+](=O)[O-])cc(c23)C(=O)N1c1ccc([O-])cc1 ZINC000408757297 570035766 /nfs/dbraw/zinc/03/57/66/570035766.db2.gz LTEZKYAIHRFGDU-UHFFFAOYSA-N -1 3 459.845 5.651 40 5 JKBBHM O=C1c2cccc3c(Nc4cccc(Cl)c4)c([N+](=O)[O-])cc(c23)C(=O)N1c1ccccc1[O-] ZINC000408757872 570036110 /nfs/dbraw/zinc/03/61/10/570036110.db2.gz RBJWSTWIQYCNFC-UHFFFAOYSA-N -1 3 459.845 5.651 40 5 JKBBHM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3Cl)cc2)cc1[N+](=O)[O-] ZINC000408906566 570070797 /nfs/dbraw/zinc/07/07/97/570070797.db2.gz HLYFXHBSPUPXAK-UHFFFAOYSA-N -1 3 480.329 5.263 40 5 JKBBHM O=C1[N-]C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C(=O)N1c1cccc(Cl)c1 ZINC000409103600 570129383 /nfs/dbraw/zinc/12/93/83/570129383.db2.gz CPCVZTWRMQRUPH-YVLHZVERSA-N -1 3 488.681 5.368 40 5 JKBBHM O=c1[n-]c(-c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)nc2ccccc12 ZINC000409270526 570189141 /nfs/dbraw/zinc/18/91/41/570189141.db2.gz QKDIMTGATZNDRV-UHFFFAOYSA-N -1 3 452.264 5.252 40 5 JKBBHM O=C(CSc1nnc(-c2cc3ccccc3cc2[O-])n1-c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000006474714 554544325 /nfs/dbraw/zinc/54/43/25/554544325.db2.gz NIBQUDGFTQCABG-UHFFFAOYSA-N -1 3 497.536 5.432 40 5 JKBBHM Cc1cc2nc(-c3cc(NC(=S)NC(=O)c4ccc(C)c([N+](=O)[O-])c4)ccc3[O-])oc2c(C)c1 ZINC000008835195 554733804 /nfs/dbraw/zinc/73/38/04/554733804.db2.gz MMXFPODCHMNLBM-UHFFFAOYSA-N -1 3 476.514 5.161 40 5 JKBBHM O=C1[C@H]2C(=C([O-])N1c1cccc(-c3ccccc3)c1)ON(c1ccccc1)[C@@H]2c1ccccc1[N+](=O)[O-] ZINC000009291936 555066820 /nfs/dbraw/zinc/06/68/20/555066820.db2.gz JRARFLXUKCVKRZ-PFBJBMPXSA-N -1 3 491.503 5.313 40 5 JKBBHM Cc1ccc([N+](=O)[O-])c([N-]C(=S)NC(=O)C=Cc2ccc(-c3ccc(Cl)cc3)o2)c1C ZINC000014269745 555760121 /nfs/dbraw/zinc/76/01/21/555760121.db2.gz MGVJKPGBFVAXHD-FMIVXFBMSA-N -1 3 455.923 5.651 40 5 JKBBHM Cc1cc(NC(=O)c2sc3c(cccc3[N+](=O)[O-])c2Cl)cc(-c2nc3ncccc3o2)c1[O-] ZINC000016269598 556131944 /nfs/dbraw/zinc/13/19/44/556131944.db2.gz OMLTYBKAXPUVKN-UHFFFAOYSA-N -1 3 480.889 5.932 40 5 JKBBHM COc1ccc(-c2ccc(C(=O)Nc3cc(C)c([O-])c(-c4nc5ncccc5o4)c3)o2)c([N+](=O)[O-])c1 ZINC000016269614 556132004 /nfs/dbraw/zinc/13/20/04/556132004.db2.gz GLKXWPJLOFKSNH-UHFFFAOYSA-N -1 3 486.440 5.333 40 5 JKBBHM O=C([N-]c1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1sc2c(cccc2[N+](=O)[O-])c1Cl ZINC000059294116 569602475 /nfs/dbraw/zinc/60/24/75/569602475.db2.gz TZQYIFXFEVCQCF-UHFFFAOYSA-N -1 3 460.880 5.747 40 5 JKBBHM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccc(C)cc4)c3[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000036619630 569778646 /nfs/dbraw/zinc/77/86/46/569778646.db2.gz FZQSDUUYNATYJZ-RUZDIDTESA-N -1 3 482.496 5.220 40 5 JKBBHM CCOC(=O)c1ccc(N2C(=O)c3n[n-]c(-c4ccc(C)cc4)c3[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000036619630 569778647 /nfs/dbraw/zinc/77/86/47/569778647.db2.gz FZQSDUUYNATYJZ-RUZDIDTESA-N -1 3 482.496 5.220 40 5 JKBBHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2c3ccccc3cc3ccccc32)cc1 ZINC000101101588 569782837 /nfs/dbraw/zinc/78/28/37/569782837.db2.gz JPCDTXWJEMQXSW-NGDRWEMDSA-N -1 3 484.555 6.353 40 5 JKBBHM O=C1[C@@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@@H]2c1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000102723453 569817588 /nfs/dbraw/zinc/81/75/88/569817588.db2.gz YAGSEIQCOXLKEW-GVAUOCQISA-N -1 3 497.532 5.374 40 5 JKBBHM O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])o1 ZINC000224616885 569950975 /nfs/dbraw/zinc/95/09/75/569950975.db2.gz CDDBMLILDHTNSJ-PKTZIBPZSA-N -1 3 458.499 5.133 40 5 JKBBHM COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])o1 ZINC000224620323 569951065 /nfs/dbraw/zinc/95/10/65/569951065.db2.gz JCAIRPQIFBVVFP-DNQXCXABSA-N -1 3 488.525 5.141 40 5 JKBBHM O=C1OC(c2sc3cc([N+](=O)[O-])ccc3c2Cl)=N/C1=C/c1cc(Br)ccc1[O-] ZINC000408841343 570053728 /nfs/dbraw/zinc/05/37/28/570053728.db2.gz FLCWZUAGBHJGJK-WUXMJOGZSA-N -1 3 479.695 5.276 40 5 JKBBHM O=C1c2cccc3c(Nc4ccccc4Cl)c([N+](=O)[O-])cc(c23)C(=O)N1c1cccc([O-])c1 ZINC000409001913 570096561 /nfs/dbraw/zinc/09/65/61/570096561.db2.gz XVTFZKXYDJDAAH-UHFFFAOYSA-N -1 3 459.845 5.651 40 5 JKBBHM O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1 ZINC000409169311 570154280 /nfs/dbraw/zinc/15/42/80/570154280.db2.gz XCEYLTJRSOBFKG-NYYWCZLTSA-N -1 3 492.340 5.354 40 5 JKBBHM