smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCNC(=O)c1cccnc1Oc1cccc([N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000065059860 518942771 /nfs/dbraw/zinc/94/27/71/518942771.db2.gz SCWJYHAXVYXWMW-UHFFFAOYSA-N -1 1 437.521 4.207 50 30 IIEAMM COc1ccccc1[C@@H]1c2c(=O)[n-]c(SCCC(C)C)nc2NC2=C1C(=O)CCC2 ZINC000005563224 556059457 /nfs/dbraw/zinc/05/94/57/556059457.db2.gz IXFQGPNPACMFTM-SFHVURJKSA-N -1 1 425.554 4.481 50 30 IIEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nccs3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000009239775 556266428 /nfs/dbraw/zinc/26/64/28/556266428.db2.gz IILBZLDJNDEILP-IBGZPJMESA-N -1 1 436.489 4.333 50 30 IIEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nccs3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000009239775 556266429 /nfs/dbraw/zinc/26/64/29/556266429.db2.gz IILBZLDJNDEILP-IBGZPJMESA-N -1 1 436.489 4.333 50 30 IIEAMM COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nccs2)cc1OC ZINC000009763863 556308527 /nfs/dbraw/zinc/30/85/27/556308527.db2.gz YJZVVSJAVSFMRQ-LJQANCHMSA-N -1 1 436.489 4.252 50 30 IIEAMM C=CCNC(=O)c1ccc(Sc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)nc1 ZINC000033138549 556872860 /nfs/dbraw/zinc/87/28/60/556872860.db2.gz WJJKSTSINKAHGW-UHFFFAOYSA-N -1 1 443.525 4.089 50 30 IIEAMM O=C1C(=O)N(c2cccnc2)[C@@H](c2ccc(Br)cc2)C1=C([O-])c1ccccc1 ZINC000101069967 557223750 /nfs/dbraw/zinc/22/37/50/557223750.db2.gz BKVRMYAMJJNODT-WOOAAIBNSA-N -1 1 435.277 4.470 50 30 IIEAMM O=C(C1=C([O-])C(=O)N(c2cccnc2)[C@H]1c1ccc(Br)cc1)c1ccccc1 ZINC000101069967 557223753 /nfs/dbraw/zinc/22/37/53/557223753.db2.gz BKVRMYAMJJNODT-WOOAAIBNSA-N -1 1 435.277 4.470 50 30 IIEAMM O=C1CCCC2=C1[C@@H](c1ccc(O)cc1)c1c(=O)[n-]c(SCc3ccccc3)nc1N2 ZINC000100821570 557276612 /nfs/dbraw/zinc/27/66/12/557276612.db2.gz MAEMWIQUPWMGJU-LJQANCHMSA-N -1 1 431.517 4.332 50 30 IIEAMM O=C1CCCC2=C1[C@@H](c1ccc(O)cc1)c1c(=O)[n-]c(SCc3ccccc3F)nc1N2 ZINC000100821587 557276633 /nfs/dbraw/zinc/27/66/33/557276633.db2.gz TTYPMGGBVLMUOY-LJQANCHMSA-N -1 1 449.507 4.471 50 30 IIEAMM CC(=O)Nc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccccc2F)cc1 ZINC000101502802 557289960 /nfs/dbraw/zinc/28/99/60/557289960.db2.gz YUNWJQPQHRKNDP-HOGKFDNTSA-N -1 1 430.435 4.410 50 30 IIEAMM C=CCn1c(=O)[nH]c([O-])c(C2=Nc3ccccc3S[C@H](c3ccc(OCC)cc3)C2)c1=O ZINC000101766423 557295789 /nfs/dbraw/zinc/29/57/89/557295789.db2.gz VFTPTLHUJUAYAX-FQEVSTJZSA-N -1 1 449.532 4.185 50 30 IIEAMM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@H]2c2ccc(N(C)C)cc2)no1 ZINC000102549567 557349083 /nfs/dbraw/zinc/34/90/83/557349083.db2.gz NQPQATLPXKTVBT-YDJIHCHBSA-N -1 1 437.883 4.329 50 30 IIEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(N(C)C)cc2)no1 ZINC000102549567 557349087 /nfs/dbraw/zinc/34/90/87/557349087.db2.gz NQPQATLPXKTVBT-YDJIHCHBSA-N -1 1 437.883 4.329 50 30 IIEAMM CCCSc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@H]2c2ccccc2F)s1 ZINC000102571178 557354701 /nfs/dbraw/zinc/35/47/01/557354701.db2.gz PULUQAXXLQQPKX-DPEHCCBOSA-N -1 1 445.497 4.399 50 30 IIEAMM CSc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(F)cc2)s1 ZINC000102597556 557357403 /nfs/dbraw/zinc/35/74/03/557357403.db2.gz PXDFJVDFKOXMAE-UYTDBDHRSA-N -1 1 441.509 4.334 50 30 IIEAMM O=C(C1=C([O-])C(=O)N(c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000102616042 557359310 /nfs/dbraw/zinc/35/93/10/557359310.db2.gz RBYRNYOYUHYJMV-NHFXJNLRSA-N -1 1 445.387 4.129 50 30 IIEAMM CCOc1ccc([C@H]2C(=C([O-])c3ccc(OC)cc3)C(=O)C(=O)N2c2cc(C)on2)cc1 ZINC000102714351 557374518 /nfs/dbraw/zinc/37/45/18/557374518.db2.gz LNJUQELRSUULSY-MRJHHRETSA-N -1 1 434.448 4.017 50 30 IIEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2cc(C)on2)cc1 ZINC000102714351 557374520 /nfs/dbraw/zinc/37/45/20/557374520.db2.gz LNJUQELRSUULSY-MRJHHRETSA-N -1 1 434.448 4.017 50 30 IIEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3ncccn3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000102803573 557385994 /nfs/dbraw/zinc/38/59/94/557385994.db2.gz HPXXMMKYTUGICK-JBCNATCCSA-N -1 1 443.503 4.409 50 30 IIEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(Cl)cc2)s1 ZINC000102797385 557388726 /nfs/dbraw/zinc/38/87/26/557388726.db2.gz IPCHJEZGCOSAQO-HVESIFNPSA-N -1 1 425.897 4.435 50 30 IIEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccccc2F)s1 ZINC000102802135 557390915 /nfs/dbraw/zinc/39/09/15/557390915.db2.gz AJIAIXRCSUFMMK-IBOXJLQUSA-N -1 1 429.860 4.265 50 30 IIEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2nnc(C)s2)c1 ZINC000006407762 562946722 /nfs/dbraw/zinc/94/67/22/562946722.db2.gz CTBRCXNQCGEARW-SFHVURJKSA-N -1 1 437.477 4.096 50 30 IIEAMM C=CCOc1ccccc1[C@@H]1CC(=O)Nc2nc(SCc3ccccc3F)[n-]c(=O)c21 ZINC000086057657 568642724 /nfs/dbraw/zinc/64/27/24/568642724.db2.gz MYAGDPIISSTYAO-INIZCTEOSA-N -1 1 437.496 4.240 50 30 IIEAMM COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nnc(C)s2)cc1 ZINC000001464665 568820052 /nfs/dbraw/zinc/82/00/52/568820052.db2.gz MYUDHYRLTJGRIV-KRWDZBQOSA-N -1 1 441.896 4.291 50 30 IIEAMM COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nccs2)cc1OC ZINC000006279749 568881630 /nfs/dbraw/zinc/88/16/30/568881630.db2.gz OHQVHZWNVHOHMQ-GOSISDBHSA-N -1 1 440.452 4.082 50 30 IIEAMM O=C([N-]S(=O)(=O)c1cnccc1Sc1ccccc1Cl)NC1CCCCC1 ZINC000096593862 569402025 /nfs/dbraw/zinc/40/20/25/569402025.db2.gz ZMYZMVIKCKQIFE-UHFFFAOYSA-N -1 1 425.963 4.411 50 30 IIEAMM O=S(=O)(N=C([O-])NC1CCCCC1)c1cnccc1Sc1ccccc1Cl ZINC000096593862 569402027 /nfs/dbraw/zinc/40/20/27/569402027.db2.gz ZMYZMVIKCKQIFE-UHFFFAOYSA-N -1 1 425.963 4.411 50 30 IIEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2cccc(Br)c2)o1 ZINC000008827558 569477749 /nfs/dbraw/zinc/47/77/49/569477749.db2.gz KVXUXRIHTZLHQJ-QGZVFWFLSA-N -1 1 443.253 4.430 50 30 IIEAMM CCOc1ccc([C@H]2C(=C([O-])c3cccc(OC)c3)C(=O)C(=O)N2c2cc(C)on2)cc1 ZINC000008996567 569495798 /nfs/dbraw/zinc/49/57/98/569495798.db2.gz ZCRSNYDPYKPNFQ-NRFANRHFSA-N -1 1 434.448 4.173 50 30 IIEAMM CCOc1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C([O-])C(=O)N2c2cc(C)on2)cc1 ZINC000008996567 569495799 /nfs/dbraw/zinc/49/57/99/569495799.db2.gz ZCRSNYDPYKPNFQ-NRFANRHFSA-N -1 1 434.448 4.173 50 30 IIEAMM C=CCN1c2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc2OCC(C)(C)C1=O ZINC000009166859 569508941 /nfs/dbraw/zinc/50/89/41/569508941.db2.gz ZTKHMOGUFWSIKG-UHFFFAOYSA-N -1 1 438.908 4.218 50 30 IIEAMM C=CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000009312380 569521859 /nfs/dbraw/zinc/52/18/59/569521859.db2.gz DMWMDRNNKHBSMO-QFIPXVFZSA-N -1 1 446.459 4.339 50 30 IIEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000009312380 569521860 /nfs/dbraw/zinc/52/18/60/569521860.db2.gz DMWMDRNNKHBSMO-QFIPXVFZSA-N -1 1 446.459 4.339 50 30 IIEAMM CCOc1ccc([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2cc(C)on2)cc1OC ZINC000009411366 569531559 /nfs/dbraw/zinc/53/15/59/569531559.db2.gz NEARUSQJPCYZHK-LJQANCHMSA-N -1 1 440.477 4.235 50 30 IIEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2ccccc2F)cc1 ZINC000009437321 569534964 /nfs/dbraw/zinc/53/49/64/569534964.db2.gz WYYQPFOXTWBFNI-NRFANRHFSA-N -1 1 434.423 4.470 50 30 IIEAMM CCCCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc([N+](=O)[O-])cc1)C1=C(CCCC1=O)N2 ZINC000009494378 569540898 /nfs/dbraw/zinc/54/08/98/569540898.db2.gz IPQZKTFOEVXGGU-INIZCTEOSA-N -1 1 426.498 4.135 50 30 IIEAMM CCSc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)o3)[C@H]2c2ccccc2F)s1 ZINC000009540894 569545834 /nfs/dbraw/zinc/54/58/34/569545834.db2.gz LBEXCFGVJXJLGI-OAHLLOKOSA-N -1 1 445.497 4.474 50 30 IIEAMM C=CCNC(=O)c1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)nc1 ZINC000065063335 518937296 /nfs/dbraw/zinc/93/72/96/518937296.db2.gz XUTVYHNQBIAQJK-UHFFFAOYSA-N -1 1 443.912 4.244 50 30 IIEAMM CCOC(=O)C1=C(NS(=O)(=O)C2=Cc3ccccc3CC2)[N-]c2ccccc2N=C1C ZINC000089978395 520505597 /nfs/dbraw/zinc/50/55/97/520505597.db2.gz KDCRAENBGVZERH-UHFFFAOYSA-N -1 1 437.521 4.077 50 30 IIEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccc(O)cc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000000858649 555571892 /nfs/dbraw/zinc/57/18/92/555571892.db2.gz LTUXWRMJWGHDLY-NRFANRHFSA-N -1 1 430.416 4.392 50 30 IIEAMM COc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCCCCC(=O)[O-])c1 ZINC000006459030 556089343 /nfs/dbraw/zinc/08/93/43/556089343.db2.gz VTLLDAOHJMUHSG-OAQYLSRUSA-N -1 1 441.455 4.058 50 30 IIEAMM O=C(C1=C([O-])C(=O)N(c2nncs2)[C@H]1c1cccc(Br)c1)c1ccccc1 ZINC000008740877 556206522 /nfs/dbraw/zinc/20/65/22/556206522.db2.gz BTWFHVFPVWUYSE-HNNXBMFYSA-N -1 1 442.294 4.084 50 30 IIEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2F)s1 ZINC000009363627 556285742 /nfs/dbraw/zinc/28/57/42/556285742.db2.gz OPGNNIJFOGEAQZ-INIZCTEOSA-N -1 1 429.860 4.422 50 30 IIEAMM O=C1C(=O)N(c2ccccn2)[C@@H](c2ccccc2)C1=C([O-])c1ccc(Br)cc1 ZINC000101062658 557219404 /nfs/dbraw/zinc/21/94/04/557219404.db2.gz DWPMSYYRORVQNN-WOOAAIBNSA-N -1 1 435.277 4.470 50 30 IIEAMM O=C(C1=C([O-])C(=O)N(c2ccccn2)[C@H]1c1ccccc1)c1ccc(Br)cc1 ZINC000101062658 557219407 /nfs/dbraw/zinc/21/94/07/557219407.db2.gz DWPMSYYRORVQNN-WOOAAIBNSA-N -1 1 435.277 4.470 50 30 IIEAMM C=CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000101287472 557268009 /nfs/dbraw/zinc/26/80/09/557268009.db2.gz NIYMOVDIHRGABF-HOGKFDNTSA-N -1 1 430.435 4.412 50 30 IIEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000101287472 557268010 /nfs/dbraw/zinc/26/80/10/557268010.db2.gz NIYMOVDIHRGABF-HOGKFDNTSA-N -1 1 430.435 4.412 50 30 IIEAMM CSc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@H]2c2ccc(SC)cc2)s1 ZINC000102582307 557355434 /nfs/dbraw/zinc/35/54/34/557355434.db2.gz WSBANJVIZRUDSD-SXWSKBOKSA-N -1 1 445.547 4.201 50 30 IIEAMM CSc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccccc2F)s1 ZINC000102656135 557361640 /nfs/dbraw/zinc/36/16/40/557361640.db2.gz YASYMYDOHDHLKU-DPEHCCBOSA-N -1 1 427.482 4.025 50 30 IIEAMM CCCOc1ccc([C@H]2C(=C([O-])c3ccc(OC)cc3)C(=O)C(=O)N2c2cc(C)on2)cc1 ZINC000102701343 557365738 /nfs/dbraw/zinc/36/57/38/557365738.db2.gz NTQDWPZDKBPFJI-MOBKVPTQSA-N -1 1 448.475 4.407 50 30 IIEAMM CCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2cc(C)on2)cc1 ZINC000102701343 557365741 /nfs/dbraw/zinc/36/57/41/557365741.db2.gz NTQDWPZDKBPFJI-MOBKVPTQSA-N -1 1 448.475 4.407 50 30 IIEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccc([N+](=O)[O-])cc2)no1 ZINC000102804175 557386471 /nfs/dbraw/zinc/38/64/71/557386471.db2.gz AJXDRFLUFAPINL-NHFXJNLRSA-N -1 1 445.387 4.264 50 30 IIEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(C)s3)[C@H]2c2ccc(C)cc2)cc1 ZINC000102797477 557388668 /nfs/dbraw/zinc/38/86/68/557388668.db2.gz ASEACWVWSUBRFR-WOOAAIBNSA-N -1 1 435.505 4.180 50 30 IIEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(C)s3)[C@H]2c2ccc(C)cc2)cc1 ZINC000102797477 557388671 /nfs/dbraw/zinc/38/86/71/557388671.db2.gz ASEACWVWSUBRFR-WOOAAIBNSA-N -1 1 435.505 4.180 50 30 IIEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(C)cc2)s1 ZINC000102861509 557402206 /nfs/dbraw/zinc/40/22/06/557402206.db2.gz QFTPHPPIDOEECW-HVESIFNPSA-N -1 1 425.897 4.435 50 30 IIEAMM CCOc1ccc([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2cc(C)on2)cc1OC ZINC000102894150 557406056 /nfs/dbraw/zinc/40/60/56/557406056.db2.gz GXYUROXPNPKXHU-LFVOPCPISA-N -1 1 440.477 4.078 50 30 IIEAMM COc1cc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nccs2)ccc1O ZINC000102925143 557409688 /nfs/dbraw/zinc/40/96/88/557409688.db2.gz BCNYPRIMYOCPTN-GROYHEBESA-N -1 1 442.880 4.137 50 30 IIEAMM O=C(c1cccs1)C1=C([O-])C(=O)N(c2nncs2)[C@H]1c1cccc(Br)c1 ZINC000000934477 568638784 /nfs/dbraw/zinc/63/87/84/568638784.db2.gz CXOIVPUIRGLDEC-ZDUSSCGKSA-N -1 1 448.323 4.145 50 30 IIEAMM C=CCOC(=O)C1=C(C)Nc2nc(SCC(C)C)[n-]c(=O)c2[C@H]1c1cccc(F)c1 ZINC000100951249 568803760 /nfs/dbraw/zinc/80/37/60/568803760.db2.gz WQQNGHFHSGICFJ-KRWDZBQOSA-N -1 1 429.517 4.218 50 30 IIEAMM COc1ccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2cccc(C)n2)cc1OC ZINC000001464356 568819984 /nfs/dbraw/zinc/81/99/84/568819984.db2.gz FUCHLZMUXPTVCQ-QFIPXVFZSA-N -1 1 430.460 4.190 50 30 IIEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2cccc(Br)c2)o1 ZINC000008827559 569477701 /nfs/dbraw/zinc/47/77/01/569477701.db2.gz KVXUXRIHTZLHQJ-KRWDZBQOSA-N -1 1 443.253 4.430 50 30 IIEAMM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc(OC)cc3)C(=O)C(=O)N2c2cc(C)on2)cc1 ZINC000008895044 569483760 /nfs/dbraw/zinc/48/37/60/569483760.db2.gz KEADLHBPJPUPTI-JOCHJYFZSA-N -1 1 446.459 4.339 50 30 IIEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2cc(C)on2)cc1 ZINC000008895044 569483761 /nfs/dbraw/zinc/48/37/61/569483761.db2.gz KEADLHBPJPUPTI-JOCHJYFZSA-N -1 1 446.459 4.339 50 30 IIEAMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3sc(C)c(C)c3C#N)c2)cc1 ZINC000009002235 569496032 /nfs/dbraw/zinc/49/60/32/569496032.db2.gz ULBPWBISRFJSRY-UHFFFAOYSA-N -1 1 441.534 4.298 50 30 IIEAMM COc1cc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc(C)c(C)s2)ccc1O ZINC000009274447 569518212 /nfs/dbraw/zinc/51/82/12/569518212.db2.gz DUDXMDHGPHPPOS-LJQANCHMSA-N -1 1 436.489 4.257 50 30 IIEAMM COc1cc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2cccc([N+](=O)[O-])c2)ccc1O ZINC000009370560 569526820 /nfs/dbraw/zinc/52/68/20/569526820.db2.gz NBRMJHJNSBUKRI-NRFANRHFSA-N -1 1 446.415 4.092 50 30 IIEAMM CSc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccccc2F)s1 ZINC000009510424 569542759 /nfs/dbraw/zinc/54/27/59/569542759.db2.gz VOTIRMDOGKNBQM-OAHLLOKOSA-N -1 1 427.482 4.182 50 30 IIEAMM COc1cc(C=NNc2ccc([N+](=O)[O-])cc2)c(Br)c(Br)c1[O-] ZINC000252626604 522310831 /nfs/dbraw/zinc/31/08/31/522310831.db2.gz RBXGDKKYWQLZGY-UHFFFAOYSA-N -1 1 445.067 4.280 50 30 IIEAMM Cc1sc2nc(CS[C@H](C)C(=O)Nc3n[n-]c(=S)n3C3CC3)[nH]c(=O)c2c1C ZINC000095464744 526893238 /nfs/dbraw/zinc/89/32/38/526893238.db2.gz FAGFKBJTJVVSDH-SECBINFHSA-N -1 1 436.588 4.100 50 30 IIEAMM CC(C)CCSc1nc2c(c(=O)[n-]1)[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(CCCC1=O)N2 ZINC000001118049 555635509 /nfs/dbraw/zinc/63/55/09/555635509.db2.gz FIOKVNAKGPCTFZ-KRWDZBQOSA-N -1 1 440.525 4.381 50 30 IIEAMM COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCCCCC(=O)[O-])cc1 ZINC000006458986 556089220 /nfs/dbraw/zinc/08/92/20/556089220.db2.gz IEFHKWMRDRSTGJ-OAQYLSRUSA-N -1 1 441.455 4.058 50 30 IIEAMM O=C(C1=C([O-])C(=O)N(c2nccs2)[C@H]1c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000008817300 556218096 /nfs/dbraw/zinc/21/80/96/556218096.db2.gz YUXLPPCXYSONBT-INIZCTEOSA-N -1 1 441.852 4.488 50 30 IIEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(C)s3)[C@H]2c2ccc(F)cc2)cc1 ZINC000009046404 556242746 /nfs/dbraw/zinc/24/27/46/556242746.db2.gz FIEFWWDEICTJSX-SFHVURJKSA-N -1 1 439.468 4.167 50 30 IIEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nccs4)[C@H]3c3ccccc3F)ccc2O1 ZINC000009243269 556266681 /nfs/dbraw/zinc/26/66/81/556266681.db2.gz YDSQAXXPYYMIQC-BUXKBTBVSA-N -1 1 436.464 4.389 50 30 IIEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nccs4)[C@@H]3c3ccccc3F)ccc2O1 ZINC000009243266 556266717 /nfs/dbraw/zinc/26/67/17/556266717.db2.gz YDSQAXXPYYMIQC-CWTRNNRKSA-N -1 1 436.464 4.389 50 30 IIEAMM COc1cc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2ccccn2)ccc1O ZINC000009763878 556308493 /nfs/dbraw/zinc/30/84/93/556308493.db2.gz HXWZUXUXGWBLBQ-FQEVSTJZSA-N -1 1 436.851 4.232 50 30 IIEAMM CSc1nc2c(c(=O)[n-]1)[C@@H](c1cccc(Br)c1)C1=C(CC(C)(C)CC1=O)N2 ZINC000016286413 556597487 /nfs/dbraw/zinc/59/74/87/556597487.db2.gz LVJZTGOUPVSNLF-AWEZNQCLSA-N -1 1 446.370 4.455 50 30 IIEAMM CC(C)Sc1nc2c(c(=O)[n-]1)[C@H](c1ccc3c(c1)OCO3)C1=C(CC(C)(C)CC1=O)N2 ZINC000017113609 556668140 /nfs/dbraw/zinc/66/81/40/556668140.db2.gz UPYZIKRIGXBVHL-QGZVFWFLSA-N -1 1 439.537 4.200 50 30 IIEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@@H]3c3ccc(O)cc3)sc2c1 ZINC000000796042 557204933 /nfs/dbraw/zinc/20/49/33/557204933.db2.gz NLNNUNLSZWZAKH-IBGZPJMESA-N -1 1 448.456 4.386 50 30 IIEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@H]2c2cccc(Br)c2)no1 ZINC000101100260 557255365 /nfs/dbraw/zinc/25/53/65/557255365.db2.gz DYDFVYQDESNHMH-IBOXJLQUSA-N -1 1 445.294 4.433 50 30 IIEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nccs3)[C@H]2c2ccccc2F)cc1 ZINC000101288036 557268153 /nfs/dbraw/zinc/26/81/53/557268153.db2.gz PILJPTYWYSDKLE-WOOAAIBNSA-N -1 1 436.464 4.473 50 30 IIEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2cc(C)on2)c1 ZINC000101313469 557272205 /nfs/dbraw/zinc/27/22/05/557272205.db2.gz RDDYVXIXELOEQD-MOBKVPTQSA-N -1 1 446.459 4.183 50 30 IIEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C([O-])C(=O)N2c2cc(C)on2)c1 ZINC000101313984 557272495 /nfs/dbraw/zinc/27/24/95/557272495.db2.gz XXWLJXGJODIEEI-HOGKFDNTSA-N -1 1 446.459 4.183 50 30 IIEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccc(OC)cc3)[C@H]2c2ccc(F)cc2)cc1 ZINC000102571120 557354824 /nfs/dbraw/zinc/35/48/24/557354824.db2.gz IHEZNHXLSMSYLI-MOBKVPTQSA-N -1 1 433.435 4.469 50 30 IIEAMM CSc1nnc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@@H]2c2ccc(F)cc2)s1 ZINC000102617137 557359265 /nfs/dbraw/zinc/35/92/65/557359265.db2.gz JKVAFDXUHJNYRC-REQDGWNSSA-N -1 1 433.511 4.087 50 30 IIEAMM CSc1nnc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@H]2c2ccc(F)cc2)s1 ZINC000102617130 557359289 /nfs/dbraw/zinc/35/92/89/557359289.db2.gz JKVAFDXUHJNYRC-MNWMYKRDSA-N -1 1 433.511 4.087 50 30 IIEAMM COc1ccc([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2cccc(C)n2)cc1OC ZINC000102697449 557365078 /nfs/dbraw/zinc/36/50/78/557365078.db2.gz SDNMGLGKLSQUAK-NHFXJNLRSA-N -1 1 436.489 4.095 50 30 IIEAMM CCCOc1cccc([C@H]2C(=C([O-])c3ccc(OC)cc3)C(=O)C(=O)N2c2cc(C)on2)c1 ZINC000102804377 557386448 /nfs/dbraw/zinc/38/64/48/557386448.db2.gz HFTAKSIBNKFFDI-MOBKVPTQSA-N -1 1 448.475 4.407 50 30 IIEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2cc(C)on2)c1 ZINC000102804377 557386450 /nfs/dbraw/zinc/38/64/50/557386450.db2.gz HFTAKSIBNKFFDI-MOBKVPTQSA-N -1 1 448.475 4.407 50 30 IIEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2cccc([N+](=O)[O-])c2)no1 ZINC000102804419 557386456 /nfs/dbraw/zinc/38/64/56/557386456.db2.gz JQQHJYDIPRKXTM-NHFXJNLRSA-N -1 1 445.387 4.264 50 30 IIEAMM CCOC(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2)cc1 ZINC000102799786 557389739 /nfs/dbraw/zinc/38/97/39/557389739.db2.gz DPYWFBRBVMPKRR-MOBKVPTQSA-N -1 1 427.456 4.490 50 30 IIEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(C)s3)[C@@H]2c2ccccc2F)cc1 ZINC000102799451 557389834 /nfs/dbraw/zinc/38/98/34/557389834.db2.gz VMIBLMZAMAXTJF-SELCWUDQSA-N -1 1 439.468 4.011 50 30 IIEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2ccccc2OC)cc1 ZINC000100462922 557404252 /nfs/dbraw/zinc/40/42/52/557404252.db2.gz QRLDVGHUAXZCEK-MRJHHRETSA-N -1 1 434.448 4.017 50 30 IIEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2ccccc2OC)cc1 ZINC000100462922 557404255 /nfs/dbraw/zinc/40/42/55/557404255.db2.gz QRLDVGHUAXZCEK-MRJHHRETSA-N -1 1 434.448 4.017 50 30 IIEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccc(O)cc2)cc1 ZINC000102878998 557407512 /nfs/dbraw/zinc/40/75/12/557407512.db2.gz GPGARVZLKAFHHX-WOOAAIBNSA-N -1 1 436.489 4.100 50 30 IIEAMM O=C([O-])CCCCCN1C(=O)C(=O)C(C(=O)c2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000102881834 557408094 /nfs/dbraw/zinc/40/80/94/557408094.db2.gz NLUXHGGVSHOLTL-YDJIHCHBSA-N -1 1 427.884 4.407 50 30 IIEAMM CCCCCCCn1c2ccccc2c([O-])c(C2=Nc3ccccc3S(=O)(=O)N2)c1=O ZINC000100504352 557411336 /nfs/dbraw/zinc/41/13/36/557411336.db2.gz WTDFQKBZXMCHKZ-UHFFFAOYSA-N -1 1 439.537 4.048 50 30 IIEAMM CSc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@H]2c2cccc(Cl)c2)s1 ZINC000009013461 562966652 /nfs/dbraw/zinc/96/66/52/562966652.db2.gz XMPWVCLFLGKPGP-CYBMUJFWSA-N -1 1 433.898 4.289 50 30 IIEAMM C=CCSc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@H]2c2ccccc2F)s1 ZINC000009320296 562969311 /nfs/dbraw/zinc/96/93/11/562969311.db2.gz LQLTXICPQFVKRR-OAHLLOKOSA-N -1 1 443.481 4.331 50 30 IIEAMM N#Cc1cccc2cccc(S(=O)(=O)[N-]c3ccc(I)cc3)c12 ZINC000032109937 568781474 /nfs/dbraw/zinc/78/14/74/568781474.db2.gz VGUMMUPLCUPGIH-UHFFFAOYSA-N -1 1 434.258 4.117 50 30 IIEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000008996957 569495889 /nfs/dbraw/zinc/49/58/89/569495889.db2.gz GGBDHFULBOIHEO-FQEVSTJZSA-N -1 1 449.419 4.073 50 30 IIEAMM C=CCN1c2ccc([N-]S(=O)(=O)c3ccc(C)c(Cl)c3)cc2OCC(C)(C)C1=O ZINC000009167190 569509017 /nfs/dbraw/zinc/50/90/17/569509017.db2.gz GNCDYFCDANHONH-UHFFFAOYSA-N -1 1 434.945 4.387 50 30 IIEAMM C=CCN1c2ccc([N-]S(=O)(=O)c3ccc(OCCC)cc3)cc2OCC(C)(C)C1=O ZINC000009167215 569509037 /nfs/dbraw/zinc/50/90/37/569509037.db2.gz UKZHQFHKBGKLHI-UHFFFAOYSA-N -1 1 444.553 4.214 50 30 IIEAMM CC[C@H](C)Sc1nc2c(c(=O)[n-]1)[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(CCCC1=O)N2 ZINC000009494368 569540942 /nfs/dbraw/zinc/54/09/42/569540942.db2.gz NWTGNPHBZBJQCX-ZBEGNZNMSA-N -1 1 426.498 4.133 50 30 IIEAMM CSc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(F)cc2)s1 ZINC000009013644 526228184 /nfs/dbraw/zinc/22/81/84/526228184.db2.gz JTCOEEUNYYRNNW-INIZCTEOSA-N -1 1 441.509 4.490 50 30 IIEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(C)s3)[C@H]2c2ccc(C)cc2)cc1 ZINC000008738925 556205472 /nfs/dbraw/zinc/20/54/72/556205472.db2.gz IEYWGVWGUVITNK-IBGZPJMESA-N -1 1 435.505 4.337 50 30 IIEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(C)s3)[C@H]2c2ccc(C)cc2)cc1 ZINC000008738925 556205475 /nfs/dbraw/zinc/20/54/75/556205475.db2.gz IEYWGVWGUVITNK-IBGZPJMESA-N -1 1 435.505 4.337 50 30 IIEAMM O=C(C1=C([O-])C(=O)N(c2nncs2)[C@@H]1c1cccc(Br)c1)c1ccccc1 ZINC000008740878 556206601 /nfs/dbraw/zinc/20/66/01/556206601.db2.gz BTWFHVFPVWUYSE-OAHLLOKOSA-N -1 1 442.294 4.084 50 30 IIEAMM COc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nccs2)c1 ZINC000008845742 556226791 /nfs/dbraw/zinc/22/67/91/556226791.db2.gz QLQSEHKLEYBYQE-ZUOKHONESA-N -1 1 448.500 4.258 50 30 IIEAMM COc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nccs2)c1 ZINC000008845742 556226795 /nfs/dbraw/zinc/22/67/95/556226795.db2.gz QLQSEHKLEYBYQE-ZUOKHONESA-N -1 1 448.500 4.258 50 30 IIEAMM CC(C)CCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc3c(c1)OCO3)C1=C(CCCC1=O)N2 ZINC000017113154 556668078 /nfs/dbraw/zinc/66/80/78/556668078.db2.gz NWYOBVWZICOSTE-SFHVURJKSA-N -1 1 439.537 4.201 50 30 IIEAMM COc1ccc(Cl)cc1C(=O)C1=C([O-])C(=O)N(c2nnc(C)s2)[C@@H]1c1ccccc1 ZINC000013723762 556718990 /nfs/dbraw/zinc/71/89/90/556718990.db2.gz VKNHJUSFTAYGKK-QGZVFWFLSA-N -1 1 441.896 4.291 50 30 IIEAMM O=C1C(=O)N(c2ccccn2)[C@H](c2ccccc2)C1=C([O-])c1ccc(Br)cc1 ZINC000101062657 557219020 /nfs/dbraw/zinc/21/90/20/557219020.db2.gz DWPMSYYRORVQNN-LFVOPCPISA-N -1 1 435.277 4.470 50 30 IIEAMM O=C(C1=C([O-])C(=O)N(c2ccccn2)[C@@H]1c1ccccc1)c1ccc(Br)cc1 ZINC000101062657 557219023 /nfs/dbraw/zinc/21/90/23/557219023.db2.gz DWPMSYYRORVQNN-LFVOPCPISA-N -1 1 435.277 4.470 50 30 IIEAMM C=CCSc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@@H]2c2ccc(F)cc2)s1 ZINC000101325234 557273699 /nfs/dbraw/zinc/27/36/99/557273699.db2.gz VLBMHLCAWNSEGB-IDTYTIONSA-N -1 1 443.481 4.175 50 30 IIEAMM O=C1CCCC2=C1[C@H](c1ccc(O)cc1)c1c(=O)[n-]c(SCc3ccccc3)nc1N2 ZINC000100821569 557276657 /nfs/dbraw/zinc/27/66/57/557276657.db2.gz MAEMWIQUPWMGJU-IBGZPJMESA-N -1 1 431.517 4.332 50 30 IIEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2ccccc2)s1 ZINC000102369068 557318690 /nfs/dbraw/zinc/31/86/90/557318690.db2.gz GRRMPWRNJGLDNI-WOOAAIBNSA-N -1 1 435.505 4.260 50 30 IIEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccc(OC)cc3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000102571128 557354754 /nfs/dbraw/zinc/35/47/54/557354754.db2.gz IHEZNHXLSMSYLI-HOGKFDNTSA-N -1 1 433.435 4.469 50 30 IIEAMM CSc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@@H]2c2ccc(SC)cc2)s1 ZINC000102582316 557355447 /nfs/dbraw/zinc/35/54/47/557355447.db2.gz WSBANJVIZRUDSD-MRPLLJTBSA-N -1 1 445.547 4.201 50 30 IIEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ncccn3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000102708850 557367553 /nfs/dbraw/zinc/36/75/53/557367553.db2.gz GSUYKDKUADUWJA-WOOAAIBNSA-N -1 1 435.867 4.155 50 30 IIEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(C)s3)[C@H]2c2ccccc2F)cc1 ZINC000102799448 557389709 /nfs/dbraw/zinc/38/97/09/557389709.db2.gz VMIBLMZAMAXTJF-GHNGSUTGSA-N -1 1 439.468 4.011 50 30 IIEAMM CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccccc2OC)cc1 ZINC000102871197 557395834 /nfs/dbraw/zinc/39/58/34/557395834.db2.gz GNBBUTWJHHHHRR-HOGKFDNTSA-N -1 1 448.475 4.407 50 30 IIEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2ccccc2OC)cc1 ZINC000102871197 557395835 /nfs/dbraw/zinc/39/58/35/557395835.db2.gz GNBBUTWJHHHHRR-HOGKFDNTSA-N -1 1 448.475 4.407 50 30 IIEAMM COc1ccccc1[C@@H]1C(=C([O-])c2cc3ccccc3o2)C(=O)C(=O)N1c1cc(C)on1 ZINC000102869437 557405080 /nfs/dbraw/zinc/40/50/80/557405080.db2.gz AFWKJYSVECCZDY-JBCNATCCSA-N -1 1 430.416 4.364 50 30 IIEAMM COc1ccccc1[C@@H]1C(C(=O)c2cc3ccccc3o2)=C([O-])C(=O)N1c1cc(C)on1 ZINC000102869437 557405081 /nfs/dbraw/zinc/40/50/81/557405081.db2.gz AFWKJYSVECCZDY-JBCNATCCSA-N -1 1 430.416 4.364 50 30 IIEAMM COc1cc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc(C)c(C)s2)ccc1O ZINC000102931186 557412664 /nfs/dbraw/zinc/41/26/64/557412664.db2.gz PQAPUMFFVVDGFF-LFVOPCPISA-N -1 1 436.489 4.100 50 30 IIEAMM COc1ccc([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2cccc(C)n2)cc1OC ZINC000008741400 562963911 /nfs/dbraw/zinc/96/39/11/562963911.db2.gz QNPNZYIZUBBANC-FQEVSTJZSA-N -1 1 436.489 4.252 50 30 IIEAMM CSc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@H]2c2ccc(SC)cc2)s1 ZINC000008969363 562966305 /nfs/dbraw/zinc/96/63/05/562966305.db2.gz ZJNTWTZKDYBZBX-CQSZACIVSA-N -1 1 445.547 4.358 50 30 IIEAMM COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2cccc(C)n2)cc1OC ZINC000001464357 568820019 /nfs/dbraw/zinc/82/00/19/568820019.db2.gz FUCHLZMUXPTVCQ-JOCHJYFZSA-N -1 1 430.460 4.190 50 30 IIEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000008742933 569473061 /nfs/dbraw/zinc/47/30/61/569473061.db2.gz GNTPFUCDOGMFOZ-HXUWFJFHSA-N -1 1 449.419 4.073 50 30 IIEAMM COc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nccs2)cc1 ZINC000008845813 569478966 /nfs/dbraw/zinc/47/89/66/569478966.db2.gz XPEPMRVOQTWOIK-RBZFPXEDSA-N -1 1 448.500 4.258 50 30 IIEAMM COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nccs2)cc1 ZINC000008845813 569478967 /nfs/dbraw/zinc/47/89/67/569478967.db2.gz XPEPMRVOQTWOIK-RBZFPXEDSA-N -1 1 448.500 4.258 50 30 IIEAMM COc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccccc2)cc1 ZINC000009358707 569525744 /nfs/dbraw/zinc/52/57/44/569525744.db2.gz MKRJZAJTMIZFQE-OAQYLSRUSA-N -1 1 430.416 4.386 50 30 IIEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ncccn3)[C@H]2c2ccc(Cl)c(Cl)c2)o1 ZINC000001020257 555603440 /nfs/dbraw/zinc/60/34/40/555603440.db2.gz IPWWFPPCBNGCTN-INIZCTEOSA-N -1 1 430.247 4.468 50 30 IIEAMM CC[C@H](C)Sc1nc2c(c(=O)[n-]1)[C@H](c1ccc(C(=O)OC)cc1)C1=C(CCCC1=O)N2 ZINC000001118084 555635567 /nfs/dbraw/zinc/63/55/67/555635567.db2.gz URIYSWFVUXATIM-YVEFUNNKSA-N -1 1 439.537 4.012 50 30 IIEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nnc(C)s2)cc1 ZINC000002501867 555784582 /nfs/dbraw/zinc/78/45/82/555784582.db2.gz PHRSQZZPVYWUJA-QGZVFWFLSA-N -1 1 439.518 4.256 50 30 IIEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nccs3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000009239776 556266387 /nfs/dbraw/zinc/26/63/87/556266387.db2.gz IILBZLDJNDEILP-LJQANCHMSA-N -1 1 436.489 4.333 50 30 IIEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nccs3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000009239776 556266389 /nfs/dbraw/zinc/26/63/89/556266389.db2.gz IILBZLDJNDEILP-LJQANCHMSA-N -1 1 436.489 4.333 50 30 IIEAMM COc1cc([C@@H]2c3c(=O)[n-]c(=S)[nH]c3NC3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC ZINC000016286530 556597658 /nfs/dbraw/zinc/59/76/58/556597658.db2.gz WXILBAYRUZTJSO-HNNXBMFYSA-N -1 1 443.525 4.071 50 30 IIEAMM CCOc1cccc([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nnc(C)s2)c1 ZINC000000801595 557219982 /nfs/dbraw/zinc/21/99/82/557219982.db2.gz PQIVRNKNQUHVSA-INIZCTEOSA-N -1 1 427.507 4.090 50 30 IIEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@@H]2c2cccc(Br)c2)no1 ZINC000101100261 557255199 /nfs/dbraw/zinc/25/51/99/557255199.db2.gz DYDFVYQDESNHMH-UYTDBDHRSA-N -1 1 445.294 4.433 50 30 IIEAMM C=CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000101287620 557267992 /nfs/dbraw/zinc/26/79/92/557267992.db2.gz HOPDNQZYJSGUOA-MOBKVPTQSA-N -1 1 446.459 4.183 50 30 IIEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000101287620 557267996 /nfs/dbraw/zinc/26/79/96/557267996.db2.gz HOPDNQZYJSGUOA-MOBKVPTQSA-N -1 1 446.459 4.183 50 30 IIEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2cc(C)on2)c1 ZINC000101313371 557272066 /nfs/dbraw/zinc/27/20/66/557272066.db2.gz OHPHZVCKSLBMAZ-JBCNATCCSA-N -1 1 434.423 4.313 50 30 IIEAMM CC(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccccc2)cc1 ZINC000101621128 557292454 /nfs/dbraw/zinc/29/24/54/557292454.db2.gz LRULAPGAORFRHI-MOBKVPTQSA-N -1 1 442.427 4.424 50 30 IIEAMM CSc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@H]2c2cccc(Cl)c2)s1 ZINC000102603807 557358152 /nfs/dbraw/zinc/35/81/52/557358152.db2.gz SVDFGJZFEHESIN-MNWMYKRDSA-N -1 1 433.898 4.133 50 30 IIEAMM Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nccs2)cc1 ZINC000102604618 557358168 /nfs/dbraw/zinc/35/81/68/557358168.db2.gz IZCCMKLAWVBOIJ-JMVURQKYSA-N -1 1 432.501 4.401 50 30 IIEAMM CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2ccccc2OC)cc1 ZINC000102871193 557395582 /nfs/dbraw/zinc/39/55/82/557395582.db2.gz GNBBUTWJHHHHRR-MOBKVPTQSA-N -1 1 448.475 4.407 50 30 IIEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2ccccc2OC)cc1 ZINC000102871193 557395585 /nfs/dbraw/zinc/39/55/85/557395585.db2.gz GNBBUTWJHHHHRR-MOBKVPTQSA-N -1 1 448.475 4.407 50 30 IIEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nccs3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000102926004 557410091 /nfs/dbraw/zinc/41/00/91/557410091.db2.gz IOCFBMOSFHNELC-LFVOPCPISA-N -1 1 436.489 4.177 50 30 IIEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nccs3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000102926004 557410093 /nfs/dbraw/zinc/41/00/93/557410093.db2.gz IOCFBMOSFHNELC-LFVOPCPISA-N -1 1 436.489 4.177 50 30 IIEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2nnc(C)s2)c1 ZINC000006162527 562946447 /nfs/dbraw/zinc/94/64/47/562946447.db2.gz DPSYRLBSRFDRLP-QGZVFWFLSA-N -1 1 425.466 4.011 50 30 IIEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ncccn3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000015952314 563020405 /nfs/dbraw/zinc/02/04/05/563020405.db2.gz HSAILZBGXNCOLQ-LJQANCHMSA-N -1 1 435.867 4.312 50 30 IIEAMM C=CCOC(=O)C1=C(C)Nc2nc(SCCCC)[n-]c(=O)c2[C@@H]1c1cccc(OC)c1 ZINC000100951285 568803696 /nfs/dbraw/zinc/80/36/96/568803696.db2.gz LNOKVOVPIBGMOS-GOSISDBHSA-N -1 1 441.553 4.231 50 30 IIEAMM CCOc1cc([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2cccnc2)ccc1O ZINC000006089717 568823312 /nfs/dbraw/zinc/82/33/12/568823312.db2.gz QIBXWDSIGWHLAW-QFIPXVFZSA-N -1 1 430.460 4.277 50 30 IIEAMM C=CCc1ccc(OCCOc2ccccc2C=C2SC(=S)[N-]C2=O)c(OC)c1 ZINC000015800714 568828779 /nfs/dbraw/zinc/82/87/79/568828779.db2.gz GSRJYVNVWVNXPT-ZHZULCJRSA-N -1 1 427.547 4.370 50 30 IIEAMM C=CCn1c(Cc2csc(NC(=O)c3cnc4onc(C(C)C)c4c3)n2)n[n-]c1=S ZINC000023041920 568859292 /nfs/dbraw/zinc/85/92/92/568859292.db2.gz KHYDTZULLBLATF-UHFFFAOYSA-N -1 1 441.542 4.086 50 30 IIEAMM C=CCn1c(=O)c2c(-c3ccco3)csc2nc1SCC(=O)c1ccc([O-])c(O)c1 ZINC000008668774 569470001 /nfs/dbraw/zinc/47/00/01/569470001.db2.gz MWTZUZWWRPALBG-UHFFFAOYSA-N -1 1 440.502 4.290 50 30 IIEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2cccc(OC)c2)cc1 ZINC000008738450 569472732 /nfs/dbraw/zinc/47/27/32/569472732.db2.gz DFBUIBPTKYLAMI-NRFANRHFSA-N -1 1 434.448 4.173 50 30 IIEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2cccc(OC)c2)cc1 ZINC000008738450 569472733 /nfs/dbraw/zinc/47/27/33/569472733.db2.gz DFBUIBPTKYLAMI-NRFANRHFSA-N -1 1 434.448 4.173 50 30 IIEAMM COc1cc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2cc(C)on2)ccc1O ZINC000008742577 569472990 /nfs/dbraw/zinc/47/29/90/569472990.db2.gz GEPOAIXSBXCGIT-IBGZPJMESA-N -1 1 440.839 4.134 50 30 IIEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(C)cc2)cc1OC ZINC000008996252 569495731 /nfs/dbraw/zinc/49/57/31/569495731.db2.gz IYTWQTGHQPSHJO-OAQYLSRUSA-N -1 1 434.448 4.092 50 30 IIEAMM C=CCNC(=O)c1cccnc1Oc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000065059852 518943016 /nfs/dbraw/zinc/94/30/16/518943016.db2.gz DNIIKPXSGVXWKA-UHFFFAOYSA-N -1 1 443.912 4.244 50 30 IIEAMM C=CCSc1nc2c(c(=O)[n-]1)[C@H](c1ccc(Cl)cc1)C(C(=O)OC(C)C)=C(C)N2 ZINC000013112489 519081886 /nfs/dbraw/zinc/08/18/86/519081886.db2.gz CHLUGUFEPFZLRY-MRXNPFEDSA-N -1 1 431.945 4.484 50 30 IIEAMM CCOc1ccc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCCCCC(=O)[O-])cc1 ZINC000013387781 521266861 /nfs/dbraw/zinc/26/68/61/521266861.db2.gz AMHZIYYPGXSTRT-QFIPXVFZSA-N -1 1 437.492 4.309 50 30 IIEAMM O=C1CCCC2=C1[C@H](c1cccnc1)c1c(=O)[n-]c(SCc3ccccc3F)nc1N2 ZINC000000959818 555591039 /nfs/dbraw/zinc/59/10/39/555591039.db2.gz QGPITIDSRIQNKD-SFHVURJKSA-N -1 1 434.496 4.161 50 30 IIEAMM COc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCCCCC(=O)[O-])c1 ZINC000006459035 556089295 /nfs/dbraw/zinc/08/92/95/556089295.db2.gz 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PGNQMTDTFXWNTR-SPLOXXLWSA-N -1 1 435.505 4.201 50 30 IIEAMM C=CCOc1cccc([C@H]2C(C(=O)c3cccc(OC)c3)=C([O-])C(=O)N2c2cc(C)on2)c1 ZINC000101313985 557272456 /nfs/dbraw/zinc/27/24/56/557272456.db2.gz XXWLJXGJODIEEI-MOBKVPTQSA-N -1 1 446.459 4.183 50 30 IIEAMM CCSc1nnc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@H]2c2ccc(F)cc2)s1 ZINC000102575892 557355106 /nfs/dbraw/zinc/35/51/06/557355106.db2.gz YNXSIEPISZECCW-SXWSKBOKSA-N -1 1 447.538 4.477 50 30 IIEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ncccn3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000102706736 557366796 /nfs/dbraw/zinc/36/67/96/557366796.db2.gz PKLFLZPVQLMHBY-LFVOPCPISA-N -1 1 435.867 4.155 50 30 IIEAMM COc1ccc([C@H]2C(=C([O-])c3ccc(OC(C)C)cc3)C(=O)C(=O)N2c2cc(C)on2)cc1 ZINC000102707466 557367213 /nfs/dbraw/zinc/36/72/13/557367213.db2.gz YMMWOFGXNFWGTE-MOBKVPTQSA-N -1 1 448.475 4.405 50 30 IIEAMM COc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C([O-])C(=O)N2c2cc(C)on2)cc1 ZINC000102707466 557367216 /nfs/dbraw/zinc/36/72/16/557367216.db2.gz YMMWOFGXNFWGTE-MOBKVPTQSA-N 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IIEAMM C=CCSc1nnc(-c2ccccc2N=Cc2c(C)[nH]n(-c3ccccc3)c2=O)c(=O)[n-]1 ZINC000103684054 557440269 /nfs/dbraw/zinc/44/02/69/557440269.db2.gz FWRVHDXLBOZJQM-NBVRZTHBSA-N -1 1 444.520 4.241 50 30 IIEAMM CCc1c([N-]S(=O)(=O)c2ccc(C#N)cc2)n[nH]c1-c1ccc(Br)cc1 ZINC000083817675 568782630 /nfs/dbraw/zinc/78/26/30/568782630.db2.gz SFNMEYIMLRGHJS-UHFFFAOYSA-N -1 1 431.315 4.074 50 30 IIEAMM O=C(c1nccs1)C1=C([O-])C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000001413202 568789898 /nfs/dbraw/zinc/78/98/98/568789898.db2.gz IHRGNCGYRBOWJX-MRXNPFEDSA-N -1 1 441.852 4.488 50 30 IIEAMM COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nnc(C)s2)cc1 ZINC000001464666 568819959 /nfs/dbraw/zinc/81/99/59/568819959.db2.gz MYUDHYRLTJGRIV-QGZVFWFLSA-N -1 1 441.896 4.291 50 30 IIEAMM COc1ccc(C(=O)C2C(=O)C(=O)N(CCCCCC(=O)[O-])[C@H]2c2ccc(C)cc2)cc1 ZINC000006459767 568909743 /nfs/dbraw/zinc/90/97/43/568909743.db2.gz HLUAVYQBIPJPDG-QFIPXVFZSA-N -1 1 437.492 4.227 50 30 IIEAMM 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C=CCOc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2cc(C)on2)c1 ZINC000101313372 557272094 /nfs/dbraw/zinc/27/20/94/557272094.db2.gz OHPHZVCKSLBMAZ-MRJHHRETSA-N -1 1 434.423 4.313 50 30 IIEAMM Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nccs2)cc1 ZINC000102604611 557358086 /nfs/dbraw/zinc/35/80/86/557358086.db2.gz IZCCMKLAWVBOIJ-JHSICFKJSA-N -1 1 432.501 4.401 50 30 IIEAMM CCCOc1ccc([C@@H]2C(=C([O-])c3cccc(OC)c3)C(=O)C(=O)N2c2cc(C)on2)cc1 ZINC000102559593 557358875 /nfs/dbraw/zinc/35/88/75/557358875.db2.gz YMYMBBXEWVXVJP-HOGKFDNTSA-N -1 1 448.475 4.407 50 30 IIEAMM CCCOc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C([O-])C(=O)N2c2cc(C)on2)cc1 ZINC000102559593 557358879 /nfs/dbraw/zinc/35/88/79/557358879.db2.gz YMYMBBXEWVXVJP-HOGKFDNTSA-N -1 1 448.475 4.407 50 30 IIEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(C)cc2)s1 ZINC000102663892 557362340 /nfs/dbraw/zinc/36/23/40/557362340.db2.gz MQBLTUUSRBXJPR-SPKPZRPVSA-N -1 1 447.516 4.105 50 30 IIEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@H]2c2cccs2)cc1 ZINC000102798894 557389387 /nfs/dbraw/zinc/38/93/87/557389387.db2.gz BDSFHJYBTDXPDF-HVESIFNPSA-N -1 1 426.519 4.456 50 30 IIEAMM COc1cccc([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc(C)c(C)s2)c1 ZINC000102801373 557390850 /nfs/dbraw/zinc/39/08/50/557390850.db2.gz SUQXCPCALRSUJC-HVESIFNPSA-N -1 1 426.519 4.456 50 30 IIEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(C)cc2)s1 ZINC000102861505 557402214 /nfs/dbraw/zinc/40/22/14/557402214.db2.gz QFTPHPPIDOEECW-GROYHEBESA-N -1 1 425.897 4.435 50 30 IIEAMM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@@H]2c2ccccc2)nc1C ZINC000102876998 557406679 /nfs/dbraw/zinc/40/66/79/557406679.db2.gz ZQVYWDXYALKQJF-GHNGSUTGSA-N -1 1 448.500 4.255 50 30 IIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2)nc1C ZINC000102876998 557406682 /nfs/dbraw/zinc/40/66/82/557406682.db2.gz ZQVYWDXYALKQJF-GHNGSUTGSA-N -1 1 448.500 4.255 50 30 IIEAMM COc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000104137019 557451363 /nfs/dbraw/zinc/45/13/63/557451363.db2.gz UIGBQDZLNSKGRK-MRJHHRETSA-N -1 1 448.406 4.369 50 30 IIEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2nnc(C)s2)c1 ZINC000006162528 562946392 /nfs/dbraw/zinc/94/63/92/562946392.db2.gz DPSYRLBSRFDRLP-KRWDZBQOSA-N -1 1 425.466 4.011 50 30 IIEAMM O=S(=O)([N-]N=Cc1c[nH]nc1-c1ccc(Cl)cc1)c1cc(Cl)ccc1Cl ZINC000252607167 569194537 /nfs/dbraw/zinc/19/45/37/569194537.db2.gz GYUIXPLHODAQDU-UHFFFAOYSA-N -1 1 429.716 4.349 50 30 IIEAMM CCOc1cc([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nccs2)ccc1O ZINC000096336509 569396746 /nfs/dbraw/zinc/39/67/46/569396746.db2.gz JLWNEJBCHYKSCS-MRXNPFEDSA-N -1 1 428.491 4.092 50 30 IIEAMM C=CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2cccc(OC)c2)cc1 ZINC000008895969 569483857 /nfs/dbraw/zinc/48/38/57/569483857.db2.gz GWBHAGCWVJHVAJ-QFIPXVFZSA-N -1 1 446.459 4.339 50 30 IIEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2cccc(OC)c2)cc1 ZINC000008895969 569483858 /nfs/dbraw/zinc/48/38/58/569483858.db2.gz GWBHAGCWVJHVAJ-QFIPXVFZSA-N -1 1 446.459 4.339 50 30 IIEAMM COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2cccnc2)c(OC)c1 ZINC000009601036 569551520 /nfs/dbraw/zinc/55/15/20/569551520.db2.gz YMVHCLGQBUQOBZ-JOCHJYFZSA-N -1 1 430.460 4.190 50 30 IIEAMM C=CCOc1c(Br)cc(Br)cc1C=C1SC(=S)[N-]C1=O ZINC000012343870 519001532 /nfs/dbraw/zinc/00/15/32/519001532.db2.gz QSGNSARKTWCSIJ-YHYXMXQVSA-N -1 1 435.162 4.265 50 30 IIEAMM Cc1ccc(C(=O)C2C(=O)C(=O)N(CCCCCC(=O)[O-])[C@H]2c2ccc(F)cc2)cc1 ZINC000008863522 526022202 /nfs/dbraw/zinc/02/22/02/526022202.db2.gz CWMBZWCBJKLIFW-NRFANRHFSA-N -1 1 425.456 4.357 50 30 IIEAMM Cc1ccc(C(=O)C2C(=O)C(=O)N(CCCCCC(=O)[O-])[C@H]2c2cccc(F)c2)cc1 ZINC000013372605 526022711 /nfs/dbraw/zinc/02/27/11/526022711.db2.gz AWLBXPANSBVZRS-NRFANRHFSA-N -1 1 425.456 4.357 50 30 IIEAMM Cc1ccc(CSc2nc3c(c(=O)[n-]2)[C@H](c2ccncc2)C2=C(CCCC2=O)N3)cc1 ZINC000005074935 556031322 /nfs/dbraw/zinc/03/13/22/556031322.db2.gz JHXICTVCMWBYMM-LJQANCHMSA-N -1 1 430.533 4.330 50 30 IIEAMM COc1cc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2cccnc2)ccc1O ZINC000006136390 556077108 /nfs/dbraw/zinc/07/71/08/556077108.db2.gz KTTPQKLBGLNHQS-FQEVSTJZSA-N -1 1 436.851 4.232 50 30 IIEAMM COc1cccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)c1 ZINC000009177696 556250087 /nfs/dbraw/zinc/25/00/87/556250087.db2.gz RCKXTXRCSJCFEA-NRFANRHFSA-N -1 1 430.416 4.386 50 30 IIEAMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCCSCc2ccccc2C#N)cc1 ZINC000032741067 556302439 /nfs/dbraw/zinc/30/24/39/556302439.db2.gz MNRJSBDJNBWZOC-UHFFFAOYSA-N -1 1 437.594 4.227 50 30 IIEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccs2)s1 ZINC000012062511 556395773 /nfs/dbraw/zinc/39/57/73/556395773.db2.gz VKDUYOSONXMVSX-BTDLBPIBSA-N -1 1 439.518 4.014 50 30 IIEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@@H]2c2ccc(Br)cc2)no1 ZINC000101069992 557223633 /nfs/dbraw/zinc/22/36/33/557223633.db2.gz SVKXUIDJMQRSAQ-UYTDBDHRSA-N -1 1 445.294 4.433 50 30 IIEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccc(Br)cc2)no1 ZINC000101069954 557223640 /nfs/dbraw/zinc/22/36/40/557223640.db2.gz RFVNXDHCATXDJJ-SELCWUDQSA-N -1 1 439.265 4.372 50 30 IIEAMM Cc1n[nH]c2c1[C@H](c1ccc(OCC(=O)[O-])cc1)C1=C(C[C@H](c3cccs3)CC1=O)N2 ZINC000018199364 557251078 /nfs/dbraw/zinc/25/10/78/557251078.db2.gz PGNQMTDTFXWNTR-QKKBWIMNSA-N -1 1 435.505 4.201 50 30 IIEAMM CSc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)o3)[C@@H]2c2ccc(C)cc2)s1 ZINC000102571958 557354772 /nfs/dbraw/zinc/35/47/72/557354772.db2.gz BNYDDHDAMPBOKR-IDTYTIONSA-N -1 1 427.507 4.096 50 30 IIEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(C)s3)[C@H]2c2ccc(F)cc2)cc1 ZINC000102799455 557389908 /nfs/dbraw/zinc/38/99/08/557389908.db2.gz VQGUSRNKPSAAPU-GHNGSUTGSA-N -1 1 439.468 4.011 50 30 IIEAMM O=C([O-])CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000102864025 557403655 /nfs/dbraw/zinc/40/36/55/557403655.db2.gz NMVQIAAVEFQZLQ-GHNGSUTGSA-N -1 1 434.275 4.280 50 30 IIEAMM COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2ccccn2)cc1OC ZINC000006244997 562946569 /nfs/dbraw/zinc/94/65/69/562946569.db2.gz ASMCYXUZRSRWIY-JOCHJYFZSA-N -1 1 430.460 4.190 50 30 IIEAMM CC1(C)SC(=S)N(/N=C/c2ccccc2)[C@@H]1N([O-])C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000008618429 562959738 /nfs/dbraw/zinc/95/97/38/562959738.db2.gz SGDBRDHHOBNKQF-DDLUMYACSA-N -1 1 445.526 4.290 50 30 IIEAMM CCSc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@@H]2c2cccc(OC)c2)s1 ZINC000009329954 562969275 /nfs/dbraw/zinc/96/92/75/562969275.db2.gz LJUSDCYZVDOTMT-HNNXBMFYSA-N -1 1 443.506 4.035 50 30 IIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2cccs2)nc1C ZINC000006144038 568845788 /nfs/dbraw/zinc/84/57/88/568845788.db2.gz NGRYVQOXIUMHCU-HNNXBMFYSA-N -1 1 440.502 4.083 50 30 IIEAMM O=C([O-])CCCCCN1C(=O)C(=O)C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(F)cc1 ZINC000006460117 568910070 /nfs/dbraw/zinc/91/00/70/568910070.db2.gz LUGWDEWBPBKTHL-HXUWFJFHSA-N -1 1 429.419 4.188 50 30 IIEAMM COCCN1C(=O)/C(=C/c2ccc([O-])c(Br)c2)SC1=Nc1ccccc1 ZINC000252630453 569204035 /nfs/dbraw/zinc/20/40/35/569204035.db2.gz UZZHNTROEXZQBA-SCWWSTLWSA-N -1 1 433.327 4.405 50 30 IIEAMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1NC(=O)c1cccc(C#N)c1 ZINC000013150157 569312046 /nfs/dbraw/zinc/31/20/46/569312046.db2.gz VHBODWZJHBIQNL-UHFFFAOYSA-N -1 1 441.896 4.273 50 30 IIEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)o4)[C@H]3c3cccnc3)sc2c1 ZINC000027988077 569405279 /nfs/dbraw/zinc/40/52/79/569405279.db2.gz LWFYIVQCIDOKTR-LJQANCHMSA-N -1 1 447.472 4.384 50 30 IIEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3cc4ccccc4o3)[C@H]2c2cccc([N+](=O)[O-])c2)no1 ZINC000008996768 569495896 /nfs/dbraw/zinc/49/58/96/569495896.db2.gz WSTSGIGACVNTSC-HXUWFJFHSA-N -1 1 445.387 4.420 50 30 IIEAMM CSc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(F)cc2)s1 ZINC000009013645 569496604 /nfs/dbraw/zinc/49/66/04/569496604.db2.gz JTCOEEUNYYRNNW-MRXNPFEDSA-N -1 1 441.509 4.490 50 30 IIEAMM O=C(C1=C([O-])C(=O)N(c2ccccc2)[C@H]1c1ccccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000009436832 569534883 /nfs/dbraw/zinc/53/48/83/569534883.db2.gz VLEQENWTEONWLD-FQEVSTJZSA-N -1 1 445.387 4.286 50 30 IIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccc(C)cc2)nc1C ZINC000000631176 555514861 /nfs/dbraw/zinc/51/48/61/555514861.db2.gz VSGDFFAKXNJWIJ-SFHVURJKSA-N -1 1 448.500 4.329 50 30 IIEAMM COc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nccs2)c1 ZINC000008845745 556226894 /nfs/dbraw/zinc/22/68/94/556226894.db2.gz QLQSEHKLEYBYQE-RBZFPXEDSA-N -1 1 448.500 4.258 50 30 IIEAMM COc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nccs2)c1 ZINC000008845745 556226897 /nfs/dbraw/zinc/22/68/97/556226897.db2.gz QLQSEHKLEYBYQE-RBZFPXEDSA-N -1 1 448.500 4.258 50 30 IIEAMM COc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000009380616 556287144 /nfs/dbraw/zinc/28/71/44/556287144.db2.gz POAYUYOSSYKIEK-OAQYLSRUSA-N -1 1 430.416 4.386 50 30 IIEAMM O=C1CCCC2=C1[C@H](c1ccncc1)c1c(=O)[n-]c(SCc3ccccc3F)nc1N2 ZINC000009780996 556308562 /nfs/dbraw/zinc/30/85/62/556308562.db2.gz YAJSAGASRQSZPV-SFHVURJKSA-N -1 1 434.496 4.161 50 30 IIEAMM C=CCSc1nnc(-c2ccccc2NC=C2C(C)=NN(c3ccccc3)C2=O)c(=O)[n-]1 ZINC000100790596 556672926 /nfs/dbraw/zinc/67/29/26/556672926.db2.gz FWRVHDXLBOZJQM-JXAWBTAJSA-N -1 1 444.520 4.241 50 30 IIEAMM C=CCSc1nnc(-c2ccccc2N=Cc2c(C)[nH]n(-c3ccccc3)c2=O)c(=O)[n-]1 ZINC000100790596 556672930 /nfs/dbraw/zinc/67/29/30/556672930.db2.gz FWRVHDXLBOZJQM-JXAWBTAJSA-N -1 1 444.520 4.241 50 30 IIEAMM CCC(=O)N1CCN(c2ccc(/N=C/c3cc(C)cc(Br)c3[O-])cc2)CC1 ZINC000100025108 557110964 /nfs/dbraw/zinc/11/09/64/557110964.db2.gz YLRSRENAUDOMNN-OEAKJJBVSA-N -1 1 430.346 4.272 50 30 IIEAMM CC(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccccc2)cc1 ZINC000101621124 557292385 /nfs/dbraw/zinc/29/23/85/557292385.db2.gz LRULAPGAORFRHI-HOGKFDNTSA-N -1 1 442.427 4.424 50 30 IIEAMM CSc1nnc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@@H]2c2ccccc2F)s1 ZINC000102618179 557359623 /nfs/dbraw/zinc/35/96/23/557359623.db2.gz BNGINQZTTPFCPX-REQDGWNSSA-N -1 1 433.511 4.087 50 30 IIEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)no1 ZINC000102804331 557386521 /nfs/dbraw/zinc/38/65/21/557386521.db2.gz BQUWAPQNMAQPNN-GHNGSUTGSA-N -1 1 439.811 4.171 50 30 IIEAMM COc1cccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC000102802887 557390843 /nfs/dbraw/zinc/39/08/43/557390843.db2.gz NXGSWJKFYYQYLC-JBCNATCCSA-N -1 1 430.416 4.230 50 30 IIEAMM Cc1nc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@@H]2c2ccc([N+](=O)[O-])cc2)sc1C ZINC000102860190 557399774 /nfs/dbraw/zinc/39/97/74/557399774.db2.gz VEWONAWRNABOEZ-UYTDBDHRSA-N -1 1 441.490 4.356 50 30 IIEAMM C=CCSc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@H]2c2ccc(F)cc2)s1 ZINC000009320748 562969281 /nfs/dbraw/zinc/96/92/81/562969281.db2.gz ZRILRESCEUGNLA-OAHLLOKOSA-N -1 1 443.481 4.331 50 30 IIEAMM CCOc1cc([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nccs2)ccc1O ZINC000006016481 568740230 /nfs/dbraw/zinc/74/02/30/568740230.db2.gz YBMYGDBKZPALNV-IBGZPJMESA-N -1 1 436.489 4.339 50 30 IIEAMM COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2cccnc2)cc1OC ZINC000019137990 568745194 /nfs/dbraw/zinc/74/51/94/568745194.db2.gz IEWNQXASHSBVTB-QFIPXVFZSA-N -1 1 430.460 4.190 50 30 IIEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(C)s3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000001464715 568820274 /nfs/dbraw/zinc/82/02/74/568820274.db2.gz FRXYSNGMLUBHID-QGZVFWFLSA-N -1 1 441.896 4.291 50 30 IIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccccc2)nc1C ZINC000001481290 568825233 /nfs/dbraw/zinc/82/52/33/568825233.db2.gz HWWUSBOFBMDUDP-SFHVURJKSA-N -1 1 448.500 4.329 50 30 IIEAMM Cc1ccc(C(=O)C2C(=O)C(=O)N(CCCCCC(=O)[O-])[C@@H]2c2ccc(F)cc2)cc1 ZINC000008863521 569291518 /nfs/dbraw/zinc/29/15/18/569291518.db2.gz CWMBZWCBJKLIFW-OAQYLSRUSA-N -1 1 425.456 4.357 50 30 IIEAMM COc1cccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C([O-])C(=O)N2c2cc(C)on2)c1 ZINC000008827593 569477744 /nfs/dbraw/zinc/47/77/44/569477744.db2.gz DCBSMIPMXNVGJL-NRFANRHFSA-N -1 1 434.448 4.092 50 30 IIEAMM C=CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2cccc(OC)c2)cc1 ZINC000008895964 569483845 /nfs/dbraw/zinc/48/38/45/569483845.db2.gz GWBHAGCWVJHVAJ-JOCHJYFZSA-N -1 1 446.459 4.339 50 30 IIEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2cccc(OC)c2)cc1 ZINC000008895964 569483846 /nfs/dbraw/zinc/48/38/46/569483846.db2.gz GWBHAGCWVJHVAJ-JOCHJYFZSA-N -1 1 446.459 4.339 50 30 IIEAMM Cc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nccs2)cc1 ZINC000009293125 569520121 /nfs/dbraw/zinc/52/01/21/569520121.db2.gz HZOUEEKYRRUBBJ-LJQANCHMSA-N -1 1 434.473 4.006 50 30 IIEAMM Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nccs2)cc1 ZINC000009293125 569520122 /nfs/dbraw/zinc/52/01/22/569520122.db2.gz HZOUEEKYRRUBBJ-LJQANCHMSA-N -1 1 434.473 4.006 50 30 IIEAMM COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2cc(C)on2)c1 ZINC000009329421 569522863 /nfs/dbraw/zinc/52/28/63/569522863.db2.gz JJOGTEGZHJJQBX-NRFANRHFSA-N -1 1 434.448 4.092 50 30 IIEAMM COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2cc(C)on2)c1 ZINC000009329422 569522903 /nfs/dbraw/zinc/52/29/03/569522903.db2.gz JJOGTEGZHJJQBX-OAQYLSRUSA-N -1 1 434.448 4.092 50 30 IIEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2cc(C)on2)cc1OC ZINC000009412306 569531609 /nfs/dbraw/zinc/53/16/09/569531609.db2.gz DDKBTICIHPIHDP-QFIPXVFZSA-N -1 1 448.475 4.482 50 30 IIEAMM COc1cc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C([O-])C(=O)N2c2ccccc2)ccc1O ZINC000009459429 569536858 /nfs/dbraw/zinc/53/68/58/569536858.db2.gz CBLIOMVPXHALBY-OAQYLSRUSA-N -1 1 446.415 4.092 50 30 IIEAMM C=CCN1c2ccc([N-]S(=O)(=O)c3ccc(OCC)c(C)c3)cc2OCC(C)(C)C1=O ZINC000009167123 518875881 /nfs/dbraw/zinc/87/58/81/518875881.db2.gz INRNBNXPIHCVAA-UHFFFAOYSA-N -1 1 444.553 4.132 50 30 IIEAMM CC[C@H](C)Sc1nc2c(c(=O)[n-]1)[C@H](c1ccc([N+](=O)[O-])cc1)C1=C(CCCC1=O)N2 ZINC000017268850 521784982 /nfs/dbraw/zinc/78/49/82/521784982.db2.gz GWGZCTVLGJUKTE-MEDUHNTESA-N -1 1 426.498 4.133 50 30 IIEAMM O=C(C1=C([O-])C(=O)N(c2cccnc2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000000860879 555572121 /nfs/dbraw/zinc/57/21/21/555572121.db2.gz WYUUGIWVTSIHMZ-LJQANCHMSA-N -1 1 435.823 4.426 50 30 IIEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ncccn3)[C@@H]2c2ccc(Cl)c(Cl)c2)o1 ZINC000001020258 555603449 /nfs/dbraw/zinc/60/34/49/555603449.db2.gz IPWWFPPCBNGCTN-MRXNPFEDSA-N -1 1 430.247 4.468 50 30 IIEAMM CC[C@@H](C)Sc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(C(=O)OC)cc1)C1=C(CCCC1=O)N2 ZINC000001118086 555635538 /nfs/dbraw/zinc/63/55/38/555635538.db2.gz URIYSWFVUXATIM-PXAZEXFGSA-N -1 1 439.537 4.012 50 30 IIEAMM 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C=CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2ccccc2OC)cc1 ZINC000101288073 557268204 /nfs/dbraw/zinc/26/82/04/557268204.db2.gz PSEXHXLEOFYVSC-MOBKVPTQSA-N -1 1 446.459 4.183 50 30 IIEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2ccccc2OC)cc1 ZINC000101288073 557268206 /nfs/dbraw/zinc/26/82/06/557268206.db2.gz PSEXHXLEOFYVSC-MOBKVPTQSA-N -1 1 446.459 4.183 50 30 IIEAMM C=CCn1c(=O)[nH]c([O-])c(C2=Nc3ccccc3S[C@H](c3ccccc3OCC)C2)c1=O ZINC000101495222 557289075 /nfs/dbraw/zinc/28/90/75/557289075.db2.gz HJTDZRJHFJOUFP-FQEVSTJZSA-N -1 1 449.532 4.185 50 30 IIEAMM CC(=O)Nc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccc(F)cc2)cc1 ZINC000101503825 557290268 /nfs/dbraw/zinc/29/02/68/557290268.db2.gz RORNBABCNDBEGQ-HOGKFDNTSA-N -1 1 430.435 4.410 50 30 IIEAMM COc1ccccc1[C@H]1C(C(=O)c2cccs2)=C([O-])C(=O)N1c1nnc(C(C)C)s1 ZINC000102753338 557383566 /nfs/dbraw/zinc/38/35/66/557383566.db2.gz OSSMYYWFZMFKQU-UYTDBDHRSA-N -1 1 441.534 4.358 50 30 IIEAMM 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CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000008742932 569473043 /nfs/dbraw/zinc/47/30/43/569473043.db2.gz GNTPFUCDOGMFOZ-FQEVSTJZSA-N -1 1 449.419 4.073 50 30 IIEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2cccc(O)c2)cc1Cl ZINC000008827798 569477730 /nfs/dbraw/zinc/47/77/30/569477730.db2.gz QUGUGMSPGSZCAG-IBGZPJMESA-N -1 1 440.839 4.134 50 30 IIEAMM CN(C)CCN1C(=O)C(=O)C(=C([O-])c2ccc(F)cc2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000008996565 569495810 /nfs/dbraw/zinc/49/58/10/569495810.db2.gz NSRRNBHJZVVFGR-GHNGSUTGSA-N -1 1 437.298 4.116 50 30 IIEAMM CCOc1ccc([C@H]2C(=C([O-])c3ccc(OC)cc3)C(=O)C(=O)N2c2cc(C)on2)cc1 ZINC000008996777 569495911 /nfs/dbraw/zinc/49/59/11/569495911.db2.gz BQHBJRDKSPWAOI-NRFANRHFSA-N -1 1 434.448 4.173 50 30 IIEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2cc(C)on2)cc1 ZINC000008996777 569495912 /nfs/dbraw/zinc/49/59/12/569495912.db2.gz BQHBJRDKSPWAOI-NRFANRHFSA-N -1 1 434.448 4.173 50 30 IIEAMM COc1cc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nccs2)ccc1O ZINC000009354497 569525030 /nfs/dbraw/zinc/52/50/30/569525030.db2.gz RJXOLUBLQRNADR-KRWDZBQOSA-N -1 1 442.880 4.294 50 30 IIEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000009463000 569537356 /nfs/dbraw/zinc/53/73/56/569537356.db2.gz UQLHHOLOVQESNI-OAQYLSRUSA-N -1 1 434.423 4.470 50 30 IIEAMM Nc1c(-c2nc3ccccc3s2)c([O-])cn1N=C(C(=O)c1ccccc1)c1ccccc1 ZINC000009971179 569576257 /nfs/dbraw/zinc/57/62/57/569576257.db2.gz YHYFISBKXAZGTR-XAYXJRQQSA-N -1 1 438.512 4.096 50 30 IIEAMM CC(C)Oc1ccc(C(=O)C2=C([O-])C(=O)N(c3nccs3)[C@H]2c2cccnc2)cc1F ZINC000013690008 519778453 /nfs/dbraw/zinc/77/84/53/519778453.db2.gz JEPUSEOJFIXGIW-SFHVURJKSA-N -1 1 439.468 4.247 50 30 IIEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(Cl)cc2)s1 ZINC000000634318 555516372 /nfs/dbraw/zinc/51/63/72/555516372.db2.gz UKKHGYFDLBPITO-MRXNPFEDSA-N -1 1 429.860 4.422 50 30 IIEAMM COc1ccc(C=Nn2c(C)n[n-]c2=S)cc1COc1ccc([N+](=O)[O-])cc1Cl ZINC000002793434 556144744 /nfs/dbraw/zinc/14/47/44/556144744.db2.gz RFGWNDDOXGKNHD-AWQFTUOYSA-N -1 1 433.877 4.281 50 30 IIEAMM N#Cc1ccc([C@H]2c3c(=O)[n-]c(SCc4ccccc4)nc3NC3=C2C(=O)CCC3)cc1 ZINC000016286524 556597473 /nfs/dbraw/zinc/59/74/73/556597473.db2.gz DZHIUSQGQCKQSQ-HXUWFJFHSA-N -1 1 440.528 4.498 50 30 IIEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2cccnc2)ccc1O ZINC000018069106 557235007 /nfs/dbraw/zinc/23/50/07/557235007.db2.gz QIBXWDSIGWHLAW-JOCHJYFZSA-N -1 1 430.460 4.277 50 30 IIEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nccs3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1F ZINC000026533469 557243556 /nfs/dbraw/zinc/24/35/56/557243556.db2.gz UGBUYVCJJXJSOO-KRWDZBQOSA-N -1 1 439.424 4.282 50 30 IIEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2cccc(Br)c2)no1 ZINC000101101625 557255552 /nfs/dbraw/zinc/25/55/52/557255552.db2.gz XSTIFXQJQKDGJX-GHNGSUTGSA-N -1 1 439.265 4.372 50 30 IIEAMM C=CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccccn3)[C@@H]2c2ccccc2F)cc1 ZINC000101288033 557268342 /nfs/dbraw/zinc/26/83/42/557268342.db2.gz VLKIYDABHDOUBF-HOGKFDNTSA-N -1 1 430.435 4.412 50 30 IIEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@@H]2c2ccccc2F)cc1 ZINC000101288033 557268344 /nfs/dbraw/zinc/26/83/44/557268344.db2.gz VLKIYDABHDOUBF-HOGKFDNTSA-N -1 1 430.435 4.412 50 30 IIEAMM CSc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2F)s1 ZINC000102656136 557361590 /nfs/dbraw/zinc/36/15/90/557361590.db2.gz YASYMYDOHDHLKU-IDTYTIONSA-N -1 1 427.482 4.025 50 30 IIEAMM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc(OC)cc3)C(=O)C(=O)N2c2cc(C)on2)cc1 ZINC000102701341 557365680 /nfs/dbraw/zinc/36/56/80/557365680.db2.gz NTQDWPZDKBPFJI-HOGKFDNTSA-N -1 1 448.475 4.407 50 30 IIEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2cc(C)on2)cc1 ZINC000102701341 557365683 /nfs/dbraw/zinc/36/56/83/557365683.db2.gz NTQDWPZDKBPFJI-HOGKFDNTSA-N -1 1 448.475 4.407 50 30 IIEAMM CCOc1ccc([C@@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2cc(C)on2)cc1OC ZINC000102800720 557390620 /nfs/dbraw/zinc/39/06/20/557390620.db2.gz KGVWKVWQRIZVGF-JBCNATCCSA-N -1 1 434.448 4.017 50 30 IIEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2cc(C)on2)cc1OC ZINC000102800720 557390623 /nfs/dbraw/zinc/39/06/23/557390623.db2.gz KGVWKVWQRIZVGF-JBCNATCCSA-N -1 1 434.448 4.017 50 30 IIEAMM COc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000102800874 557390673 /nfs/dbraw/zinc/39/06/73/557390673.db2.gz NMFPJEMVLARMBX-MRJHHRETSA-N -1 1 448.406 4.369 50 30 IIEAMM O=C1C(=O)N(c2ccccn2)[C@@H](c2ccc(Br)cc2)C1=C([O-])c1ccccc1 ZINC000100439940 557403407 /nfs/dbraw/zinc/40/34/07/557403407.db2.gz WQPWZAHAWXTLGF-WOOAAIBNSA-N -1 1 435.277 4.470 50 30 IIEAMM O=C(C1=C([O-])C(=O)N(c2ccccn2)[C@H]1c1ccc(Br)cc1)c1ccccc1 ZINC000100439940 557403409 /nfs/dbraw/zinc/40/34/09/557403409.db2.gz WQPWZAHAWXTLGF-WOOAAIBNSA-N -1 1 435.277 4.470 50 30 IIEAMM COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2ccccn2)cc1OC ZINC000006244976 562946561 /nfs/dbraw/zinc/94/65/61/562946561.db2.gz ASMCYXUZRSRWIY-QFIPXVFZSA-N -1 1 430.460 4.190 50 30 IIEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccc([N+](=O)[O-])cc2)no1 ZINC000008856440 562965267 /nfs/dbraw/zinc/96/52/67/562965267.db2.gz VHVXGZDDADGJCI-FQEVSTJZSA-N -1 1 445.387 4.420 50 30 IIEAMM COC(=O)c1nn(-c2ccccc2)c(Sc2ccc(Br)cc2)c1/C=N/[O-] ZINC000013147161 562985386 /nfs/dbraw/zinc/98/53/86/562985386.db2.gz GVNDVVSIEJLWCX-RGVLZGJSSA-N -1 1 432.299 4.381 50 30 IIEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nccs2)ccc1O ZINC000006016476 568740076 /nfs/dbraw/zinc/74/00/76/568740076.db2.gz YBMYGDBKZPALNV-LJQANCHMSA-N -1 1 436.489 4.339 50 30 IIEAMM CCCSc1nc2c(c(=O)[n-]1)[C@H](c1ccc([N+](=O)[O-])cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000006143659 568845803 /nfs/dbraw/zinc/84/58/03/568845803.db2.gz CEEFQBANKRLOQP-MRXNPFEDSA-N -1 1 440.525 4.381 50 30 IIEAMM 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Cc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C([O-])C(=O)N2c2nnc(C)s2)o1 ZINC000001153089 555657492 /nfs/dbraw/zinc/65/74/92/555657492.db2.gz WRLPWYRUTNQLDW-GOSISDBHSA-N -1 1 439.493 4.318 50 30 IIEAMM CCOc1ccc([C@@H]2c3c(=O)[n-]c(SCC)nc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004194188 555975131 /nfs/dbraw/zinc/97/51/31/555975131.db2.gz FVHCKCJAYWMBTR-KRWDZBQOSA-N -1 1 425.554 4.481 50 30 IIEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(F)cc2)s1 ZINC000006444679 556087866 /nfs/dbraw/zinc/08/78/66/556087866.db2.gz HEFNVTXVSDCJSJ-INIZCTEOSA-N -1 1 429.860 4.422 50 30 IIEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(F)cc2)s1 ZINC000006444664 556087987 /nfs/dbraw/zinc/08/79/87/556087987.db2.gz HEFNVTXVSDCJSJ-MRXNPFEDSA-N -1 1 429.860 4.422 50 30 IIEAMM O=C([O-])CCCCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(O)cc1 ZINC000006460123 556089703 /nfs/dbraw/zinc/08/97/03/556089703.db2.gz IMXDWVTXOICMNE-FQEVSTJZSA-N -1 1 443.883 4.269 50 30 IIEAMM O=C(C1=C([O-])C(=O)N(c2ccccn2)[C@@H]1c1cccnc1)c1ccc(Br)cc1 ZINC000009360020 556523334 /nfs/dbraw/zinc/52/33/34/556523334.db2.gz OVUCBICRNPPPMA-GOSISDBHSA-N -1 1 436.265 4.022 50 30 IIEAMM C=CCOC(=O)C1=C(C)Nc2nc(SCCCC)[n-]c(=O)c2[C@H]1c1cccc(F)c1 ZINC000100951267 556699638 /nfs/dbraw/zinc/69/96/38/556699638.db2.gz IFNALJUZBPOANW-KRWDZBQOSA-N -1 1 429.517 4.362 50 30 IIEAMM C=CCN1C(=O)C(=Cc2ccc(OCc3ccccc3F)c(OCC)c2)C(=O)[N-]C1=S ZINC000096477451 556816953 /nfs/dbraw/zinc/81/69/53/556816953.db2.gz HKFPDMWXDVWUAD-ATVHPVEESA-N -1 1 440.496 4.456 50 30 IIEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@H]3c3cccc(O)c3)sc2c1 ZINC000000796047 557204837 /nfs/dbraw/zinc/20/48/37/557204837.db2.gz MURDUXMGDDMWHV-LJQANCHMSA-N -1 1 448.456 4.386 50 30 IIEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2ccc(F)cc2)cc1 ZINC000101287480 557267904 /nfs/dbraw/zinc/26/79/04/557267904.db2.gz LQVNGMLGJTXRHJ-MRJHHRETSA-N -1 1 434.423 4.313 50 30 IIEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000101288277 557268661 /nfs/dbraw/zinc/26/86/61/557268661.db2.gz XRHYZTJVWROICB-HOGKFDNTSA-N -1 1 430.460 4.483 50 30 IIEAMM CSc1nnc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@H]2c2ccccc2F)s1 ZINC000102618172 557359178 /nfs/dbraw/zinc/35/91/78/557359178.db2.gz BNGINQZTTPFCPX-MNWMYKRDSA-N -1 1 433.511 4.087 50 30 IIEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(C)s3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000102799458 557389725 /nfs/dbraw/zinc/38/97/25/557389725.db2.gz VQGUSRNKPSAAPU-SELCWUDQSA-N -1 1 439.468 4.011 50 30 IIEAMM O=C(C1=C([O-])C(=O)N(c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000102862344 557402876 /nfs/dbraw/zinc/40/28/76/557402876.db2.gz VOGGFPZRWWSBAY-NHFXJNLRSA-N -1 1 445.387 4.129 50 30 IIEAMM O=C(C1=C([O-])C(=O)N(c2cccc([N+](=O)[O-])c2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000102890642 557405531 /nfs/dbraw/zinc/40/55/31/557405531.db2.gz QFDVISLOPRBRRG-YDJIHCHBSA-N -1 1 445.387 4.129 50 30 IIEAMM CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2cccc(OC)c2)cc1 ZINC000102896932 557411190 /nfs/dbraw/zinc/41/11/90/557411190.db2.gz TVIBJXIREGQVQO-HOGKFDNTSA-N -1 1 448.475 4.407 50 30 IIEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2cccc(OC)c2)cc1 ZINC000102896932 557411193 /nfs/dbraw/zinc/41/11/93/557411193.db2.gz TVIBJXIREGQVQO-HOGKFDNTSA-N -1 1 448.475 4.407 50 30 IIEAMM CSc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)o3)[C@H]2c2ccc(C)cc2)s1 ZINC000009540926 562973133 /nfs/dbraw/zinc/97/31/33/562973133.db2.gz KNWRADJWCACUPH-OAHLLOKOSA-N -1 1 427.507 4.253 50 30 IIEAMM C=CCOc1ccccc1[C@@H]1CC(=O)Nc2nc(SCc3ccccc3C)[n-]c(=O)c21 ZINC000086057024 568642151 /nfs/dbraw/zinc/64/21/51/568642151.db2.gz XJVVQOYMDJHCRL-SFHVURJKSA-N -1 1 433.533 4.410 50 30 IIEAMM CCCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc([N+](=O)[O-])cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000006143658 568845840 /nfs/dbraw/zinc/84/58/40/568845840.db2.gz CEEFQBANKRLOQP-INIZCTEOSA-N -1 1 440.525 4.381 50 30 IIEAMM Cc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCCCCC(=O)[O-])cc1 ZINC000006459743 568909915 /nfs/dbraw/zinc/90/99/15/568909915.db2.gz YBZRUMMUJCTMOX-OAQYLSRUSA-N -1 1 425.456 4.357 50 30 IIEAMM COc1cccc(C([O-])=Cc2nc3ccc(C(=O)Nc4cccc(C)c4)cc3[nH]c2=O)c1 ZINC000020156554 569353751 /nfs/dbraw/zinc/35/37/51/569353751.db2.gz HHCQNULFQQWPSO-HMAPJEAMSA-N -1 1 427.460 4.387 50 30 IIEAMM N#Cc1ccc([C@@H]2c3c(O)n(-c4ccc(Cl)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000230037859 569418305 /nfs/dbraw/zinc/41/83/05/569418305.db2.gz KYALBPLGYULVJR-BDTNDASRSA-N -1 1 429.863 4.263 50 30 IIEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccc(O)cc2)cc1 ZINC000009233561 569513861 /nfs/dbraw/zinc/51/38/61/569513861.db2.gz JAMMAKZKGCTTMK-LJQANCHMSA-N -1 1 436.489 4.257 50 30 IIEAMM O=C(C1=C([O-])C(=O)N(c2cccc([N+](=O)[O-])c2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000009293115 569520165 /nfs/dbraw/zinc/52/01/65/569520165.db2.gz IZLYKMAGPIUOSQ-HXUWFJFHSA-N -1 1 445.387 4.286 50 30 IIEAMM COc1ccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C([O-])C(=O)N2c2ccccc2)cc1 ZINC000009356557 569525529 /nfs/dbraw/zinc/52/55/29/569525529.db2.gz SOLKKZUCSLAJGB-NRFANRHFSA-N -1 1 430.416 4.386 50 30 IIEAMM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@@H]2c2ccc(N(C)C)cc2)no1 ZINC000009359045 569525710 /nfs/dbraw/zinc/52/57/10/569525710.db2.gz CGRWNSYCMYDWMU-FQEVSTJZSA-N -1 1 437.883 4.485 50 30 IIEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(N(C)C)cc2)no1 ZINC000009359045 569525711 /nfs/dbraw/zinc/52/57/11/569525711.db2.gz CGRWNSYCMYDWMU-FQEVSTJZSA-N -1 1 437.883 4.485 50 30 IIEAMM COc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2cc(C)on2)c1OC ZINC000009460850 569536919 /nfs/dbraw/zinc/53/69/19/569536919.db2.gz MEWZUMFMSUUHEX-FQEVSTJZSA-N -1 1 434.448 4.092 50 30 IIEAMM CCOC(=O)C1=C(Nc2ccc(OCC)cc2)SC(=Cc2cccc(F)c2[O-])C1=O ZINC000036301398 520535245 /nfs/dbraw/zinc/53/52/45/520535245.db2.gz CMOHJAQOHZHBMA-SFQUDFHCSA-N -1 1 429.469 4.474 50 30 IIEAMM 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COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccccc2)nc1C ZINC000008743766 556208095 /nfs/dbraw/zinc/20/80/95/556208095.db2.gz PKAZIAHPLWQDEA-QGZVFWFLSA-N -1 1 434.473 4.021 50 30 IIEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(C)s3)[C@@H]2c2ccccc2F)cc1 ZINC000008838194 556226376 /nfs/dbraw/zinc/22/63/76/556226376.db2.gz OIMBVRRGQOVULS-GOSISDBHSA-N -1 1 439.468 4.167 50 30 IIEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2cccc([N+](=O)[O-])c2)no1 ZINC000008915073 556232160 /nfs/dbraw/zinc/23/21/60/556232160.db2.gz LSUWDECQBMXUOS-GOSISDBHSA-N -1 1 439.811 4.328 50 30 IIEAMM O=C(C1=C([O-])C(=O)N(c2nccs2)[C@H]1c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000009069209 556245044 /nfs/dbraw/zinc/24/50/44/556245044.db2.gz FHNUVNFNUKYBIZ-INIZCTEOSA-N -1 1 441.852 4.488 50 30 IIEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nccs4)[C@@H]3c3ccccc3F)ccc2O1 ZINC000009243267 556266646 /nfs/dbraw/zinc/26/66/46/556266646.db2.gz YDSQAXXPYYMIQC-HXPMCKFVSA-N -1 1 436.464 4.389 50 30 IIEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2ccco2)s1 ZINC000009302096 556275944 /nfs/dbraw/zinc/27/59/44/556275944.db2.gz RBSHUMNFCZQWRY-QGZVFWFLSA-N -1 1 425.466 4.010 50 30 IIEAMM COc1ccc(Cl)cc1C(=O)C1=C([O-])C(=O)N(c2nnc(C)s2)[C@H]1c1ccccc1 ZINC000013723765 556719029 /nfs/dbraw/zinc/71/90/29/556719029.db2.gz VKNHJUSFTAYGKK-KRWDZBQOSA-N -1 1 441.896 4.291 50 30 IIEAMM Cc1noc(/C=C\c2ccc(S(=O)(=O)[N-]c3cccc(C#N)c3)cc2)c1NC(=O)C1CC1 ZINC000033171134 556882053 /nfs/dbraw/zinc/88/20/53/556882053.db2.gz WYNIDPOHCSYBPB-GHXNOFRVSA-N -1 1 448.504 4.174 50 30 IIEAMM CC(C)Oc1ccc(C(=O)C2=C([O-])C(=O)N(c3nccs3)[C@@H]2c2cccnc2)cc1F ZINC000102377933 557321382 /nfs/dbraw/zinc/32/13/82/557321382.db2.gz TWGSKHGXFWUFJK-SELCWUDQSA-N -1 1 439.468 4.091 50 30 IIEAMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2NC=CC(=O)c2ccc3c(c2)OCO3)cc1 ZINC000100139974 557333365 /nfs/dbraw/zinc/33/33/65/557333365.db2.gz GMHWFJRMMXRXLI-SEYXRHQNSA-N -1 1 436.489 4.333 50 30 IIEAMM COC(=O)c1[nH]c2ccccc2c1C=Nn1cc([O-])c(-c2nc3ccccc3s2)c1N ZINC000102722019 557368932 /nfs/dbraw/zinc/36/89/32/557368932.db2.gz CBPVVWBHLOXDOA-QIHSMOAISA-N -1 1 431.477 4.160 50 30 IIEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C([O-])C(=O)N2c2cc(C)on2)cc1 ZINC000102713295 557374430 /nfs/dbraw/zinc/37/44/30/557374430.db2.gz YQYVYNRTXDWTJK-MOBKVPTQSA-N -1 1 448.475 4.325 50 30 IIEAMM CCOC(=O)c1cc(-c2cccs2)nc(SCC([O-])=CC(=O)C(F)(F)F)c1C#N ZINC000102831812 557394346 /nfs/dbraw/zinc/39/43/46/557394346.db2.gz SYRGGRGDLPKRJM-UHFFFAOYSA-N -1 1 442.440 4.041 50 30 IIEAMM COc1ccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2ccc(F)cc2)c(OC)c1 ZINC000102865795 557404418 /nfs/dbraw/zinc/40/44/18/557404418.db2.gz HNWFRPNXQNHPJJ-MOBKVPTQSA-N -1 1 433.435 4.469 50 30 IIEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2cc(C)on2)cc1OC ZINC000102885317 557409442 /nfs/dbraw/zinc/40/94/42/557409442.db2.gz KUVPVVGFQIARHV-HOGKFDNTSA-N -1 1 448.475 4.325 50 30 IIEAMM 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CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@H]2c2ccccc2)nc1C ZINC000102876993 557406694 /nfs/dbraw/zinc/40/66/94/557406694.db2.gz ZQVYWDXYALKQJF-SELCWUDQSA-N -1 1 448.500 4.255 50 30 IIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccccc2)nc1C ZINC000102876993 557406696 /nfs/dbraw/zinc/40/66/96/557406696.db2.gz ZQVYWDXYALKQJF-SELCWUDQSA-N -1 1 448.500 4.255 50 30 IIEAMM COc1ccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2ccc(F)cc2)cc1OC ZINC000104124216 557450634 /nfs/dbraw/zinc/45/06/34/557450634.db2.gz QOAVIKVRZRWZRO-MOBKVPTQSA-N -1 1 433.435 4.469 50 30 IIEAMM CCOP(=O)(OCC)[C@@H](NC(=O)[N-]S(=O)(=O)c1ccc(C)cc1)c1ccccc1 ZINC000003199535 562932749 /nfs/dbraw/zinc/93/27/49/562932749.db2.gz XEMVMCNZIOSSDO-GOSISDBHSA-N -1 1 440.458 4.152 50 30 IIEAMM CCOP(=O)(OCC)[C@@H](NC([O-])=NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 ZINC000003199535 562932751 /nfs/dbraw/zinc/93/27/51/562932751.db2.gz XEMVMCNZIOSSDO-GOSISDBHSA-N -1 1 440.458 4.152 50 30 IIEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2nnc(C)s2)c1 ZINC000006407743 562946719 /nfs/dbraw/zinc/94/67/19/562946719.db2.gz CTBRCXNQCGEARW-GOSISDBHSA-N -1 1 437.477 4.096 50 30 IIEAMM C=CCOc1ccccc1[C@H]1CC(=O)Nc2nc(SCc3ccc(F)cc3)[n-]c(=O)c21 ZINC000086057769 568642536 /nfs/dbraw/zinc/64/25/36/568642536.db2.gz NEEFBGPYWSPZJK-QGZVFWFLSA-N -1 1 437.496 4.240 50 30 IIEAMM C=CCOc1ccccc1[C@@H]1CC(=O)Nc2nc(SCc3ccc(C)cc3)[n-]c(=O)c21 ZINC000086057256 568642551 /nfs/dbraw/zinc/64/25/51/568642551.db2.gz YDSIYOBHYMJNRH-SFHVURJKSA-N -1 1 433.533 4.410 50 30 IIEAMM CCSc1nc2c(c(=O)[n-]1)[C@H](c1cc(OC)ccc1OC)C1=C(CC(C)(C)CC1=O)N2 ZINC000000959783 568646489 /nfs/dbraw/zinc/64/64/89/568646489.db2.gz WEZAIUBWTNRPFC-QGZVFWFLSA-N -1 1 441.553 4.100 50 30 IIEAMM CCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(Br)cc1)C1=C(CCCC1=O)N2 ZINC000000959844 568646541 /nfs/dbraw/zinc/64/65/41/568646541.db2.gz YXIOWULYFOCLPX-AWEZNQCLSA-N -1 1 432.343 4.209 50 30 IIEAMM 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DFXDGDKMBYFCPJ-JOCHJYFZSA-N -1 1 430.460 4.190 50 30 IIEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(C)s3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000001464714 568820211 /nfs/dbraw/zinc/82/02/11/568820211.db2.gz FRXYSNGMLUBHID-KRWDZBQOSA-N -1 1 441.896 4.291 50 30 IIEAMM COCCN1C(=O)/C(=C\c2ccc([O-])c(Br)c2)SC1=Nc1ccccc1 ZINC000252630454 569204012 /nfs/dbraw/zinc/20/40/12/569204012.db2.gz UZZHNTROEXZQBA-VZTGFIPTSA-N -1 1 433.327 4.405 50 30 IIEAMM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nnc(C)s2)cc1 ZINC000002501859 569406099 /nfs/dbraw/zinc/40/60/99/569406099.db2.gz KUOGWNMNCKQSLQ-LJQANCHMSA-N -1 1 433.489 4.194 50 30 IIEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nnc(C)s2)cc1 ZINC000002501859 569406101 /nfs/dbraw/zinc/40/61/01/569406101.db2.gz KUOGWNMNCKQSLQ-LJQANCHMSA-N -1 1 433.489 4.194 50 30 IIEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2cc(C)on2)cc1 ZINC000008893814 569483617 /nfs/dbraw/zinc/48/36/17/569483617.db2.gz VPEFNZQGQDIFSV-OAQYLSRUSA-N -1 1 434.423 4.470 50 30 IIEAMM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc(OC)cc3)C(=O)C(=O)N2c2cc(C)on2)cc1 ZINC000008895046 569483748 /nfs/dbraw/zinc/48/37/48/569483748.db2.gz KEADLHBPJPUPTI-QFIPXVFZSA-N -1 1 446.459 4.339 50 30 IIEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2cc(C)on2)cc1 ZINC000008895046 569483749 /nfs/dbraw/zinc/48/37/49/569483749.db2.gz KEADLHBPJPUPTI-QFIPXVFZSA-N -1 1 446.459 4.339 50 30 IIEAMM C=CCOc1cccc([C@@H]2C(=C([O-])c3ccc(OC)cc3)C(=O)C(=O)N2c2cc(C)on2)c1 ZINC000008996519 569495816 /nfs/dbraw/zinc/49/58/16/569495816.db2.gz DOLCVJPLSNLTQN-JOCHJYFZSA-N -1 1 446.459 4.339 50 30 IIEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2cc(C)on2)c1 ZINC000008996519 569495817 /nfs/dbraw/zinc/49/58/17/569495817.db2.gz DOLCVJPLSNLTQN-JOCHJYFZSA-N -1 1 446.459 4.339 50 30 IIEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nccs4)[C@@H]3c3ccc(F)cc3)ccc2O1 ZINC000009243460 569514930 /nfs/dbraw/zinc/51/49/30/569514930.db2.gz JVOBIYQCSUZGJT-HXPMCKFVSA-N -1 1 436.464 4.389 50 30 IIEAMM CSc1nnc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@@H]2c2ccccc2F)s1 ZINC000009453612 569536620 /nfs/dbraw/zinc/53/66/20/569536620.db2.gz GPFUCSWCHYKTKU-ZDUSSCGKSA-N -1 1 433.511 4.244 50 30 IIEAMM CCOc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C([O-])C(=O)N2c2ccccn2)cc1 ZINC000009461894 569537143 /nfs/dbraw/zinc/53/71/43/569537143.db2.gz OIFUCSSUPRRPCC-JOCHJYFZSA-N -1 1 430.460 4.272 50 30 IIEAMM COc1ccc([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nnc(SC)s2)cc1 ZINC000009488177 569539839 /nfs/dbraw/zinc/53/98/39/569539839.db2.gz SKKGDZLMHCLNMV-CQSZACIVSA-N -1 1 445.547 4.113 50 30 IIEAMM CC[C@@H](C)Sc1nc2c(c(=O)[n-]1)[C@H](c1cccc([N+](=O)[O-])c1)C1=C(CCCC1=O)N2 ZINC000009494371 569540920 /nfs/dbraw/zinc/54/09/20/569540920.db2.gz NWTGNPHBZBJQCX-BDJLRTHQSA-N -1 1 426.498 4.133 50 30 IIEAMM C=CCNC(=O)c1cccnc1Oc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000065063604 518943626 /nfs/dbraw/zinc/94/36/26/518943626.db2.gz DNLZYWXRXYYGSF-UHFFFAOYSA-N -1 1 443.912 4.244 50 30 IIEAMM COc1ccc(F)cc1C(=O)C1=C([O-])C(=O)N(c2nc(C)c(C)s2)[C@H]1c1cccnc1 ZINC000013693148 524295562 /nfs/dbraw/zinc/29/55/62/524295562.db2.gz JRZVEBXCHSZWDD-SFHVURJKSA-N -1 1 439.468 4.086 50 30 IIEAMM Cc1ccc(C(=O)C2C(=O)C(=O)N(CCCCCC(=O)[O-])[C@@H]2c2cccc(F)c2)cc1 ZINC000013372603 526021799 /nfs/dbraw/zinc/02/17/99/526021799.db2.gz AWLBXPANSBVZRS-OAQYLSRUSA-N -1 1 425.456 4.357 50 30 IIEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2ccc(Br)cc2)o1 ZINC000013552677 526027479 /nfs/dbraw/zinc/02/74/79/526027479.db2.gz IBHAWDULCDXEBX-KRWDZBQOSA-N -1 1 443.253 4.430 50 30 IIEAMM CCSc1nc2c(c(=O)[n-]1)[C@H](c1ccc(OC)c(OC)c1)C1=C(CC(C)(C)CC1=O)N2 ZINC000000702484 555543332 /nfs/dbraw/zinc/54/33/32/555543332.db2.gz KZSOLYLEDFKZJD-QGZVFWFLSA-N -1 1 441.553 4.100 50 30 IIEAMM O=C(C1=C([O-])C(=O)N(c2cccnc2)[C@H]1c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000006445654 556088223 /nfs/dbraw/zinc/08/82/23/556088223.db2.gz NBSYUHWBMVOGQB-IBGZPJMESA-N -1 1 435.823 4.426 50 30 IIEAMM COc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000008969879 556237552 /nfs/dbraw/zinc/23/75/52/556237552.db2.gz CBUOARVLIZHVBP-NRFANRHFSA-N -1 1 430.416 4.386 50 30 IIEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(C)s3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000009046405 556242756 /nfs/dbraw/zinc/24/27/56/556242756.db2.gz FIEFWWDEICTJSX-GOSISDBHSA-N -1 1 439.468 4.167 50 30 IIEAMM CCC(=O)Nc1c(C)noc1/C=C\c1ccc(S(=O)(=O)[N-]c2cccc(C#N)c2)cc1 ZINC000033297933 557073799 /nfs/dbraw/zinc/07/37/99/557073799.db2.gz MDBSVZXYXBBXDB-XFXZXTDPSA-N -1 1 436.493 4.174 50 30 IIEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@@H]3c3cccc(O)c3)sc2c1 ZINC000000796046 557204957 /nfs/dbraw/zinc/20/49/57/557204957.db2.gz MURDUXMGDDMWHV-IBGZPJMESA-N -1 1 448.456 4.386 50 30 IIEAMM Cc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C([O-])C(=O)N2c2nnc(C)s2)o1 ZINC000102368917 557318305 /nfs/dbraw/zinc/31/83/05/557318305.db2.gz OTCSSSVMBWYUBC-GHNGSUTGSA-N -1 1 439.493 4.161 50 30 IIEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2cccs2)s1 ZINC000102369258 557318681 /nfs/dbraw/zinc/31/86/81/557318681.db2.gz FRTBSMKUGIOQPN-GROYHEBESA-N -1 1 441.534 4.322 50 30 IIEAMM CC(C)Oc1ccc(C(=O)C2=C([O-])C(=O)N(c3nccs3)[C@H]2c2cccnc2)cc1F ZINC000102377931 557321343 /nfs/dbraw/zinc/32/13/43/557321343.db2.gz TWGSKHGXFWUFJK-GHNGSUTGSA-N -1 1 439.468 4.091 50 30 IIEAMM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@@H]2c2ccc(N(C)C)cc2)no1 ZINC000102549574 557348974 /nfs/dbraw/zinc/34/89/74/557348974.db2.gz NQPQATLPXKTVBT-NHFXJNLRSA-N -1 1 437.883 4.329 50 30 IIEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(N(C)C)cc2)no1 ZINC000102549574 557348977 /nfs/dbraw/zinc/34/89/77/557348977.db2.gz NQPQATLPXKTVBT-NHFXJNLRSA-N -1 1 437.883 4.329 50 30 IIEAMM CCCOc1cccc([C@H]2C(=C([O-])c3cccc(OC)c3)C(=O)C(=O)N2c2cc(C)on2)c1 ZINC000102699445 557365387 /nfs/dbraw/zinc/36/53/87/557365387.db2.gz BEMOZMDOLYENCA-MOBKVPTQSA-N -1 1 448.475 4.407 50 30 IIEAMM CCCOc1cccc([C@H]2C(C(=O)c3cccc(OC)c3)=C([O-])C(=O)N2c2cc(C)on2)c1 ZINC000102699445 557365389 /nfs/dbraw/zinc/36/53/89/557365389.db2.gz BEMOZMDOLYENCA-MOBKVPTQSA-N -1 1 448.475 4.407 50 30 IIEAMM CCOc1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C([O-])C(=O)N2c2ccccn2)cc1 ZINC000102708104 557367518 /nfs/dbraw/zinc/36/75/18/557367518.db2.gz ASPMIFPNVORWIU-MOBKVPTQSA-N -1 1 430.460 4.115 50 30 IIEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(C)s3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000102797478 557388658 /nfs/dbraw/zinc/38/86/58/557388658.db2.gz ASEACWVWSUBRFR-LFVOPCPISA-N -1 1 435.505 4.180 50 30 IIEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(C)s3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000102797478 557388662 /nfs/dbraw/zinc/38/86/62/557388662.db2.gz ASEACWVWSUBRFR-LFVOPCPISA-N -1 1 435.505 4.180 50 30 IIEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2ccc(F)cc2)cc1Cl ZINC000102890946 557405309 /nfs/dbraw/zinc/40/53/09/557405309.db2.gz HMSFFTLRTBFXHC-WOOAAIBNSA-N -1 1 442.830 4.410 50 30 IIEAMM CCOc1ccc([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2cc(C)on2)cc1OC ZINC000102894153 557405985 /nfs/dbraw/zinc/40/59/85/557405985.db2.gz GXYUROXPNPKXHU-WOOAAIBNSA-N -1 1 440.477 4.078 50 30 IIEAMM COc1cc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc(C)c(C)s2)ccc1O ZINC000102931187 557412636 /nfs/dbraw/zinc/41/26/36/557412636.db2.gz PQAPUMFFVVDGFF-WOOAAIBNSA-N -1 1 436.489 4.100 50 30 IIEAMM CC1(C)SC(=S)N(/N=C/c2ccccc2)[C@H]1N([O-])C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000008618427 562959747 /nfs/dbraw/zinc/95/97/47/562959747.db2.gz SGDBRDHHOBNKQF-DORSJAEJSA-N -1 1 445.526 4.290 50 30 IIEAMM C=CCOc1ccccc1[C@@H]1CC(=O)Nc2nc(SCc3ccc(F)cc3)[n-]c(=O)c21 ZINC000086057764 568642530 /nfs/dbraw/zinc/64/25/30/568642530.db2.gz NEEFBGPYWSPZJK-KRWDZBQOSA-N -1 1 437.496 4.240 50 30 IIEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000008856316 569479803 /nfs/dbraw/zinc/47/98/03/569479803.db2.gz XTKNTEZVEVOHIF-NRFANRHFSA-N -1 1 434.448 4.173 50 30 IIEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000008856316 569479804 /nfs/dbraw/zinc/47/98/04/569479804.db2.gz XTKNTEZVEVOHIF-NRFANRHFSA-N -1 1 434.448 4.173 50 30 IIEAMM CSc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@@H]2c2ccc(Cl)cc2)s1 ZINC000009109892 569501932 /nfs/dbraw/zinc/50/19/32/569501932.db2.gz SLDOMHPCPQLDAS-ZDUSSCGKSA-N -1 1 433.898 4.289 50 30 IIEAMM COc1cc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc(C)c(C)s2)ccc1O ZINC000009274452 569518215 /nfs/dbraw/zinc/51/82/15/569518215.db2.gz DUDXMDHGPHPPOS-IBGZPJMESA-N -1 1 436.489 4.257 50 30 IIEAMM Cc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nccs2)cc1 ZINC000009293126 569520191 /nfs/dbraw/zinc/52/01/91/569520191.db2.gz HZOUEEKYRRUBBJ-IBGZPJMESA-N -1 1 434.473 4.006 50 30 IIEAMM Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nccs2)cc1 ZINC000009293126 569520192 /nfs/dbraw/zinc/52/01/92/569520192.db2.gz HZOUEEKYRRUBBJ-IBGZPJMESA-N -1 1 434.473 4.006 50 30 IIEAMM COc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccccc2)cc1 ZINC000009374006 569527111 /nfs/dbraw/zinc/52/71/11/569527111.db2.gz MKRJZAJTMIZFQE-NRFANRHFSA-N -1 1 430.416 4.386 50 30 IIEAMM C=CCOC(=O)C1=C(C)Nc2nc(SCC(C)C)[n-]c(=O)c2[C@@H]1c1sccc1C ZINC000100951264 518972063 /nfs/dbraw/zinc/97/20/63/518972063.db2.gz ZWCQHWPSXADJGK-OAHLLOKOSA-N -1 1 431.583 4.449 50 30 IIEAMM CCOC(=O)C1CCN(Cc2c3c(c(C)cc2[O-])C(=O)/C(=C\c2cccc(C)c2)O3)CC1 ZINC000041586187 520576655 /nfs/dbraw/zinc/57/66/55/520576655.db2.gz AKRYQGOFZKYQQQ-HYARGMPZSA-N -1 1 435.520 4.400 50 30 IIEAMM CCCCSc1nc2c(c(=O)[n-]1)[C@H](c1ccc(O)c(OCC)c1)C1=C(CCCC1=O)N2 ZINC000009494387 520976998 /nfs/dbraw/zinc/97/69/98/520976998.db2.gz GGRDVUNZAOPSMA-GOSISDBHSA-N -1 1 441.553 4.331 50 30 IIEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2ccccc2OC)cc1C ZINC000006499087 523566929 /nfs/dbraw/zinc/56/69/29/523566929.db2.gz WDXNQYPNNSDNCA-NRFANRHFSA-N -1 1 434.448 4.092 50 30 IIEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccncc2)cc1F ZINC000013693367 523570219 /nfs/dbraw/zinc/57/02/19/523570219.db2.gz TYXWZZTVHQUTTF-GOSISDBHSA-N -1 1 439.468 4.086 50 30 IIEAMM CSc1nc2c(c(=O)[n-]1)[C@H](c1cccc(Br)c1)C1=C(CC(C)(C)CC1=O)N2 ZINC000016286411 526208592 /nfs/dbraw/zinc/20/85/92/526208592.db2.gz LVJZTGOUPVSNLF-CQSZACIVSA-N -1 1 446.370 4.455 50 30 IIEAMM Cc1n[nH]c2c1[C@@H](c1ccc(OCC(=O)[O-])cc1)C1=C(C[C@H](c3cccs3)CC1=O)N2 ZINC000018199366 526537545 /nfs/dbraw/zinc/53/75/45/526537545.db2.gz PGNQMTDTFXWNTR-LHSJRXKWSA-N -1 1 435.505 4.201 50 30 IIEAMM O=C(C1=C([O-])C(=O)N(c2nccs2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000000836382 555567422 /nfs/dbraw/zinc/56/74/22/555567422.db2.gz BLRJJBWTXAIJPV-MRXNPFEDSA-N -1 1 441.852 4.488 50 30 IIEAMM COc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nnc(C)s2)cc1 ZINC000001129477 555643680 /nfs/dbraw/zinc/64/36/80/555643680.db2.gz WNRSTYAAIMOVJC-LJQANCHMSA-N -1 1 447.472 4.384 50 30 IIEAMM [O-]/N=C/c1cc(Br)cc(I)c1OCc1ccccc1 ZINC000002101100 555742364 /nfs/dbraw/zinc/74/23/64/555742364.db2.gz QYKYIFQOFCLDFB-CAOOACKPSA-N -1 1 432.055 4.441 50 30 IIEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(C)=O)s3)[C@H]2c2ccccc2)cc1 ZINC000008440465 556176505 /nfs/dbraw/zinc/17/65/05/556176505.db2.gz NCLSYGZFDKZOQY-IBGZPJMESA-N -1 1 448.500 4.446 50 30 IIEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccs2)s1 ZINC000012062510 556395754 /nfs/dbraw/zinc/39/57/54/556395754.db2.gz VKDUYOSONXMVSX-QGHHPUGFSA-N -1 1 439.518 4.014 50 30 IIEAMM CC(C)CCSc1nc2c(c(=O)[n-]1)[C@H](c1ccc3c(c1)OCO3)C1=C(CCCC1=O)N2 ZINC000017113151 556668034 /nfs/dbraw/zinc/66/80/34/556668034.db2.gz NWYOBVWZICOSTE-GOSISDBHSA-N -1 1 439.537 4.201 50 30 IIEAMM O=[N+]([O-])c1ccc(-c2ccc(/C=N\[N-]S(=O)(=O)c3cc(Cl)ccc3Cl)o2)cc1 ZINC000019631089 556832557 /nfs/dbraw/zinc/83/25/57/556832557.db2.gz DTHNGGMIONZKBL-JMIUGGIZSA-N -1 1 440.264 4.474 50 30 IIEAMM Cc1noc(/C=C\c2ccc(S(=O)(=O)[N-]c3ccc(C#N)cc3)cc2)c1NC(=O)C1CC1 ZINC000033171126 556882094 /nfs/dbraw/zinc/88/20/94/556882094.db2.gz BDDORMUEGNRTGD-MLPAPPSSSA-N -1 1 448.504 4.174 50 30 IIEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2ccccc2F)cc1 ZINC000101288046 557268219 /nfs/dbraw/zinc/26/82/19/557268219.db2.gz YRCSFQGRQARWTH-MRJHHRETSA-N -1 1 434.423 4.313 50 30 IIEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nccs4)[C@H]3c3ccccc3F)ccc2O1 ZINC000102546825 557348916 /nfs/dbraw/zinc/34/89/16/557348916.db2.gz UEDLFYMNXOQNKC-GHZOWXKBSA-N -1 1 436.464 4.232 50 30 IIEAMM CSc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@@H]2c2ccc(Cl)cc2)s1 ZINC000102570184 557354739 /nfs/dbraw/zinc/35/47/39/557354739.db2.gz OQMFSADNRWICOI-REQDGWNSSA-N -1 1 433.898 4.133 50 30 IIEAMM CSc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@H]2c2ccc(Cl)cc2)s1 ZINC000102570180 557354833 /nfs/dbraw/zinc/35/48/33/557354833.db2.gz OQMFSADNRWICOI-MNWMYKRDSA-N -1 1 433.898 4.133 50 30 IIEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2cccc(OC)c2)cc1 ZINC000102804077 557386530 /nfs/dbraw/zinc/38/65/30/557386530.db2.gz WPPNJZNCSLPCHL-JBCNATCCSA-N -1 1 434.448 4.017 50 30 IIEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2cccc(OC)c2)cc1 ZINC000102804077 557386533 /nfs/dbraw/zinc/38/65/33/557386533.db2.gz WPPNJZNCSLPCHL-JBCNATCCSA-N -1 1 434.448 4.017 50 30 IIEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(Cl)cc2)s1 ZINC000102797386 557388682 /nfs/dbraw/zinc/38/86/82/557388682.db2.gz IPCHJEZGCOSAQO-GROYHEBESA-N -1 1 425.897 4.435 50 30 IIEAMM COc1cc([C@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nc(C)c(C)s2)ccc1O ZINC000102798625 557389473 /nfs/dbraw/zinc/38/94/73/557389473.db2.gz CMTBFLNHAJZCBG-HVESIFNPSA-N -1 1 442.518 4.162 50 30 IIEAMM COc1cc([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc(C)c(C)s2)ccc1O ZINC000102798625 557389477 /nfs/dbraw/zinc/38/94/77/557389477.db2.gz CMTBFLNHAJZCBG-HVESIFNPSA-N -1 1 442.518 4.162 50 30 IIEAMM COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nccs2)cc1 ZINC000104160655 557452138 /nfs/dbraw/zinc/45/21/38/557452138.db2.gz NITVDNPEXGYTNS-HVESIFNPSA-N -1 1 426.881 4.431 50 30 IIEAMM CC1(C)CC(=O)C2=C(C1)Nc1nc(-c3ccccc3)[n-]c(=O)c1[C@H]2c1ccc2c(c1)OCO2 ZINC000044974104 557542006 /nfs/dbraw/zinc/54/20/06/557542006.db2.gz QNGXDVYQAJTKHW-FQEVSTJZSA-N -1 1 441.487 4.366 50 30 IIEAMM N#Cc1ccccc1COc1ccc(C=C2SC(=S)[N-]C2=O)cc1Br ZINC000015019481 568628232 /nfs/dbraw/zinc/62/82/32/568628232.db2.gz CSEJUXAYIHUUCJ-LZYBPNLTSA-N -1 1 431.336 4.389 50 30 IIEAMM C=CCOc1ccccc1[C@H]1CC(=O)Nc2nc(SCc3ccccc3C)[n-]c(=O)c21 ZINC000086057022 568642040 /nfs/dbraw/zinc/64/20/40/568642040.db2.gz XJVVQOYMDJHCRL-GOSISDBHSA-N -1 1 433.533 4.410 50 30 IIEAMM C=CCOc1ccccc1[C@H]1CC(=O)Nc2nc(SCc3ccccc3F)[n-]c(=O)c21 ZINC000086057659 568642846 /nfs/dbraw/zinc/64/28/46/568642846.db2.gz MYAGDPIISSTYAO-MRXNPFEDSA-N -1 1 437.496 4.240 50 30 IIEAMM Cc1[n-]c(=O)c(C#N)c(C)c1CSc1nnc(-c2ccccc2)n1Cc1ccccc1 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GMHWFJRMMXRXLI-OUKQBFOZSA-N -1 1 436.489 4.333 50 30 IIEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccccn2)cc1F ZINC000013732460 556720888 /nfs/dbraw/zinc/72/08/88/556720888.db2.gz PBZPYLWCGXXFKM-SFHVURJKSA-N -1 1 439.468 4.086 50 30 IIEAMM O=[P@]([O-])(O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000100043295 557238903 /nfs/dbraw/zinc/23/89/03/557238903.db2.gz DEXIXSRZQUFPIK-UHFFFAOYSA-N -1 1 428.081 4.293 50 30 IIEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2cccc(Br)c2)o1 ZINC000101100225 557255283 /nfs/dbraw/zinc/25/52/83/557255283.db2.gz FSVGNJZWZCFOGW-GROYHEBESA-N -1 1 443.253 4.273 50 30 IIEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2ccc(C)cc2)cc1 ZINC000101288281 557268609 /nfs/dbraw/zinc/26/86/09/557268609.db2.gz XRHYZTJVWROICB-MOBKVPTQSA-N -1 1 430.460 4.483 50 30 IIEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2cc(C)on2)c1 ZINC000101313465 557272137 /nfs/dbraw/zinc/27/21/37/557272137.db2.gz RDDYVXIXELOEQD-HOGKFDNTSA-N -1 1 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CC1(C)CC(=O)C2=C(C1)Nc1nc(-c3ccccc3)[n-]c(=O)c1[C@@H]2c1ccc2c(c1)OCO2 ZINC000044974108 557542281 /nfs/dbraw/zinc/54/22/81/557542281.db2.gz QNGXDVYQAJTKHW-HXUWFJFHSA-N -1 1 441.487 4.366 50 30 IIEAMM C=CCSc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@@H]2c2ccc(F)cc2)s1 ZINC000009320750 562969266 /nfs/dbraw/zinc/96/92/66/562969266.db2.gz ZRILRESCEUGNLA-HNNXBMFYSA-N -1 1 443.481 4.331 50 30 IIEAMM COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2cccnc2)cc1OC ZINC000019137996 568745141 /nfs/dbraw/zinc/74/51/41/568745141.db2.gz IEWNQXASHSBVTB-JOCHJYFZSA-N -1 1 430.460 4.190 50 30 IIEAMM C=CCOc1ccc([N-]S(=O)(=O)c2ccc(SC)c(C(=O)N3CCCC3)c2)cc1 ZINC000016648139 568830006 /nfs/dbraw/zinc/83/00/06/568830006.db2.gz GEALZCYMXXVQTH-UHFFFAOYSA-N -1 1 432.567 4.010 50 30 IIEAMM C=CCOc1c(Br)cc(C=C2SC(=S)[N-]C2=O)cc1Br ZINC000002119574 568834507 /nfs/dbraw/zinc/83/45/07/568834507.db2.gz PXJIXSWQGQJNBZ-POHAHGRESA-N -1 1 435.162 4.265 50 30 IIEAMM 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O=C(C1=C([O-])C(=O)N(c2ccccn2)[C@H]1c1cccnc1)c1ccc(Br)cc1 ZINC000009360023 556523257 /nfs/dbraw/zinc/52/32/57/556523257.db2.gz OVUCBICRNPPPMA-SFHVURJKSA-N -1 1 436.265 4.022 50 30 IIEAMM CC(C)Sc1nc2c(c(=O)[n-]1)[C@@H](c1ccc([N+](=O)[O-])cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000017113608 556668135 /nfs/dbraw/zinc/66/81/35/556668135.db2.gz HMUZBMWLXXEOOR-INIZCTEOSA-N -1 1 440.525 4.379 50 30 IIEAMM COc1cc([C@H]2c3c(=O)[n-]c(=S)[nH]c3NC3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC ZINC000018024481 556681490 /nfs/dbraw/zinc/68/14/90/556681490.db2.gz WXILBAYRUZTJSO-OAHLLOKOSA-N -1 1 443.525 4.071 50 30 IIEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@H]2c2cccnc2)cc1F ZINC000013723386 556718996 /nfs/dbraw/zinc/71/89/96/556718996.db2.gz JSEXVEHJKISXTO-SFHVURJKSA-N -1 1 439.468 4.086 50 30 IIEAMM CC[C@H](C)Sc1nc2c(c(=O)[n-]1)[C@@H](c1ccc([N+](=O)[O-])cc1)C1=C(CCCC1=O)N2 ZINC000017268860 557048041 /nfs/dbraw/zinc/04/80/41/557048041.db2.gz GWGZCTVLGJUKTE-ZBEGNZNMSA-N -1 1 426.498 4.133 50 30 IIEAMM 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O=C(ON=C1CCCCC1)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000008826143 569477525 /nfs/dbraw/zinc/47/75/25/569477525.db2.gz WZPZMMVWCDWYEI-UHFFFAOYSA-N -1 1 444.509 4.126 50 30 IIEAMM COc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nccs2)cc1 ZINC000008845810 569478910 /nfs/dbraw/zinc/47/89/10/569478910.db2.gz XPEPMRVOQTWOIK-ZUOKHONESA-N -1 1 448.500 4.258 50 30 IIEAMM COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nccs2)cc1 ZINC000008845810 569478911 /nfs/dbraw/zinc/47/89/11/569478911.db2.gz XPEPMRVOQTWOIK-ZUOKHONESA-N -1 1 448.500 4.258 50 30 IIEAMM O=C(C1=C([O-])C(=O)N(c2ncccn2)[C@@H]1c1cccc(Br)c1)c1ccccc1 ZINC000009007664 569496236 /nfs/dbraw/zinc/49/62/36/569496236.db2.gz YKQNDNKUAAMJGG-QGZVFWFLSA-N -1 1 436.265 4.022 50 30 IIEAMM CCOc1ccc([C@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2nnc(SC)s2)cc1 ZINC000009012644 569496568 /nfs/dbraw/zinc/49/65/68/569496568.db2.gz PCJPHMUJJABCHD-HNNXBMFYSA-N -1 1 443.506 4.035 50 30 IIEAMM COc1cc([C@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nc(C)c(C)s2)ccc1O ZINC000009065034 569499586 /nfs/dbraw/zinc/49/95/86/569499586.db2.gz HCCLKBMUAMCORX-KRWDZBQOSA-N -1 1 442.518 4.319 50 30 IIEAMM COc1cc([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc(C)c(C)s2)ccc1O ZINC000009065034 569499587 /nfs/dbraw/zinc/49/95/87/569499587.db2.gz HCCLKBMUAMCORX-KRWDZBQOSA-N -1 1 442.518 4.319 50 30 IIEAMM C=CCN1c2cc([N-]S(=O)(=O)c3ccc(C)c(Cl)c3)ccc2OCC(C)(C)C1=O ZINC000009171448 569509428 /nfs/dbraw/zinc/50/94/28/569509428.db2.gz APJWDIWNTZCRJD-UHFFFAOYSA-N -1 1 434.945 4.387 50 30 IIEAMM CCOc1ccc([C@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2cc(C)on2)cc1OC ZINC000009350793 569524871 /nfs/dbraw/zinc/52/48/71/569524871.db2.gz WHKCPDSCRBFEAW-NRFANRHFSA-N -1 1 434.448 4.173 50 30 IIEAMM CCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2cc(C)on2)cc1OC ZINC000009350793 569524872 /nfs/dbraw/zinc/52/48/72/569524872.db2.gz WHKCPDSCRBFEAW-NRFANRHFSA-N -1 1 434.448 4.173 50 30 IIEAMM COc1ccccc1[C@@H]1C(C(=O)c2ccccc2)=C([O-])C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000000856622 555571413 /nfs/dbraw/zinc/57/14/13/555571413.db2.gz YTUPVSGJHZRDSH-OAQYLSRUSA-N -1 1 430.416 4.386 50 30 IIEAMM CCSc1nc2c(c(=O)[n-]1)[C@@H](c1cccc(Br)c1)C1=C(CCCC1=O)N2 ZINC000001121095 555637841 /nfs/dbraw/zinc/63/78/41/555637841.db2.gz CFENGHJPJJQXTH-AWEZNQCLSA-N -1 1 432.343 4.209 50 30 IIEAMM Cc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C([O-])C(=O)N2c2nnc(C)s2)o1 ZINC000001153088 555657458 /nfs/dbraw/zinc/65/74/58/555657458.db2.gz WRLPWYRUTNQLDW-SFHVURJKSA-N -1 1 439.493 4.318 50 30 IIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@H]2c2ccco2)nc1C ZINC000008740675 556206237 /nfs/dbraw/zinc/20/62/37/556206237.db2.gz NZFOJNGAEFTIAK-CQSZACIVSA-N -1 1 444.490 4.066 50 30 IIEAMM O=C1CCCC2=C1[C@@H](c1ccncc1)c1c(=O)[n-]c(SCc3ccccc3F)nc1N2 ZINC000009780998 556308710 /nfs/dbraw/zinc/30/87/10/556308710.db2.gz YAJSAGASRQSZPV-GOSISDBHSA-N -1 1 434.496 4.161 50 30 IIEAMM Cc1ccc([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2ncc([N+](=O)[O-])s2)cc1 ZINC000016700100 556629749 /nfs/dbraw/zinc/62/97/49/556629749.db2.gz RLJLNNGUDDSCCY-HNNXBMFYSA-N -1 1 427.463 4.204 50 30 IIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@H]2c2ccccc2)nc1C ZINC000017160290 556670570 /nfs/dbraw/zinc/67/05/70/556670570.db2.gz DERGDDRHXTXPLC-MRXNPFEDSA-N -1 1 438.461 4.004 50 30 IIEAMM C=CCNC(=O)c1ccc(Sc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)nc1 ZINC000033138559 556869816 /nfs/dbraw/zinc/86/98/16/556869816.db2.gz RWNZQEWGCPGFNB-UHFFFAOYSA-N -1 1 439.562 4.258 50 30 IIEAMM CCOc1cccc([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nnc(C)s2)c1 ZINC000000801596 557219908 /nfs/dbraw/zinc/21/99/08/557219908.db2.gz PQIVRNKNQUHVSA-MRXNPFEDSA-N -1 1 427.507 4.090 50 30 IIEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(Br)cc2)o1 ZINC000101069860 557223432 /nfs/dbraw/zinc/22/34/32/557223432.db2.gz DEGVGPJTYHVGIM-GROYHEBESA-N -1 1 443.253 4.273 50 30 IIEAMM C=CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccccc2OC)cc1 ZINC000101288068 557268349 /nfs/dbraw/zinc/26/83/49/557268349.db2.gz PSEXHXLEOFYVSC-HOGKFDNTSA-N -1 1 446.459 4.183 50 30 IIEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2ccccc2OC)cc1 ZINC000101288068 557268351 /nfs/dbraw/zinc/26/83/51/557268351.db2.gz PSEXHXLEOFYVSC-HOGKFDNTSA-N -1 1 446.459 4.183 50 30 IIEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nccs4)[C@H]3c3ccccc3F)ccc2O1 ZINC000102546816 557348986 /nfs/dbraw/zinc/34/89/86/557348986.db2.gz UEDLFYMNXOQNKC-QJGVGSKSSA-N -1 1 436.464 4.232 50 30 IIEAMM COc1ccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C([O-])C(=O)N2c2ccccc2)cc1 ZINC000102563177 557354387 /nfs/dbraw/zinc/35/43/87/557354387.db2.gz WQBGYEMABGEJMZ-MRJHHRETSA-N -1 1 430.416 4.230 50 30 IIEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nccs4)[C@H]3c3ccc(F)cc3)ccc2O1 ZINC000102553764 557358430 /nfs/dbraw/zinc/35/84/30/557358430.db2.gz PADMGSHDVBSMCQ-GHZOWXKBSA-N -1 1 436.464 4.232 50 30 IIEAMM CSc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)o3)[C@@H]2c2ccc(Cl)cc2)s1 ZINC000102615865 557359348 /nfs/dbraw/zinc/35/93/48/557359348.db2.gz QXIKXMKNIFTGNI-MRPLLJTBSA-N -1 1 447.925 4.441 50 30 IIEAMM C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nccs4)[C@@H]3c3ccccc3F)ccc2O1 ZINC000102651366 557361573 /nfs/dbraw/zinc/36/15/73/557361573.db2.gz UEDLFYMNXOQNKC-QPAAHAPSSA-N -1 1 436.464 4.232 50 30 IIEAMM CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000102707288 557367234 /nfs/dbraw/zinc/36/72/34/557367234.db2.gz WSSXLWSBVLLSPW-HOGKFDNTSA-N -1 1 448.475 4.407 50 30 IIEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000102707288 557367239 /nfs/dbraw/zinc/36/72/39/557367239.db2.gz WSSXLWSBVLLSPW-HOGKFDNTSA-N -1 1 448.475 4.407 50 30 IIEAMM CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000102707285 557367280 /nfs/dbraw/zinc/36/72/80/557367280.db2.gz WSSXLWSBVLLSPW-MOBKVPTQSA-N -1 1 448.475 4.407 50 30 IIEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000102707285 557367281 /nfs/dbraw/zinc/36/72/81/557367281.db2.gz WSSXLWSBVLLSPW-MOBKVPTQSA-N -1 1 448.475 4.407 50 30 IIEAMM CCOc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C([O-])C(=O)N2c2ccccn2)cc1 ZINC000102708100 557367560 /nfs/dbraw/zinc/36/75/60/557367560.db2.gz ASPMIFPNVORWIU-HOGKFDNTSA-N -1 1 430.460 4.115 50 30 IIEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3cc4ccccc4o3)[C@H]2c2cccc([N+](=O)[O-])c2)no1 ZINC000102804417 557386382 /nfs/dbraw/zinc/38/63/82/557386382.db2.gz JQQHJYDIPRKXTM-YDJIHCHBSA-N -1 1 445.387 4.264 50 30 IIEAMM COc1ccc(OC)c([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2ccc(F)cc2)c1 ZINC000102799558 557389849 /nfs/dbraw/zinc/38/98/49/557389849.db2.gz VGLINGIOPYMULF-HOGKFDNTSA-N -1 1 433.435 4.469 50 30 IIEAMM O=C(C1=C([O-])C(=O)N(c2ccccn2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000102860798 557401645 /nfs/dbraw/zinc/40/16/45/557401645.db2.gz XICTXOSVKOVTPD-LFVOPCPISA-N -1 1 435.823 4.270 50 30 IIEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(F)cc2)cc1Cl ZINC000102890944 557405380 /nfs/dbraw/zinc/40/53/80/557405380.db2.gz HMSFFTLRTBFXHC-LFVOPCPISA-N -1 1 442.830 4.410 50 30 IIEAMM O=C(C1=C([O-])C(=O)N(c2cccc([N+](=O)[O-])c2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000102890638 557405541 /nfs/dbraw/zinc/40/55/41/557405541.db2.gz QFDVISLOPRBRRG-NHFXJNLRSA-N -1 1 445.387 4.129 50 30 IIEAMM COc1cccc([C@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2cc(C)on2)c1 ZINC000102895201 557406096 /nfs/dbraw/zinc/40/60/96/557406096.db2.gz GHXUIHSOCWJJEG-MRJHHRETSA-N -1 1 430.416 4.364 50 30 IIEAMM COc1cccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2cc(C)on2)c1 ZINC000102895201 557406100 /nfs/dbraw/zinc/40/61/00/557406100.db2.gz GHXUIHSOCWJJEG-MRJHHRETSA-N -1 1 430.416 4.364 50 30 IIEAMM CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2cccc(OC)c2)cc1 ZINC000102896930 557411115 /nfs/dbraw/zinc/41/11/15/557411115.db2.gz TVIBJXIREGQVQO-MOBKVPTQSA-N -1 1 448.475 4.407 50 30 IIEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2cccc(OC)c2)cc1 ZINC000102896930 557411117 /nfs/dbraw/zinc/41/11/17/557411117.db2.gz TVIBJXIREGQVQO-MOBKVPTQSA-N -1 1 448.475 4.407 50 30 IIEAMM COc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000104130379 557450955 /nfs/dbraw/zinc/45/09/55/557450955.db2.gz WALQGOWJAIVHLY-JBCNATCCSA-N -1 1 430.416 4.230 50 30 IIEAMM CCOP(=O)(OCC)[C@H](NC(=O)[N-]S(=O)(=O)c1ccc(C)cc1)c1ccccc1 ZINC000003199533 562932755 /nfs/dbraw/zinc/93/27/55/562932755.db2.gz XEMVMCNZIOSSDO-SFHVURJKSA-N -1 1 440.458 4.152 50 30 IIEAMM CCOP(=O)(OCC)[C@H](NC([O-])=NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 ZINC000003199533 562932757 /nfs/dbraw/zinc/93/27/57/562932757.db2.gz XEMVMCNZIOSSDO-SFHVURJKSA-N -1 1 440.458 4.152 50 30 IIEAMM C=CCSc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@@H]2c2ccccc2F)s1 ZINC000009320298 562969299 /nfs/dbraw/zinc/96/92/99/562969299.db2.gz LQLTXICPQFVKRR-HNNXBMFYSA-N -1 1 443.481 4.331 50 30 IIEAMM C=CCOC(=O)C1=C(C)Nc2nc(SCCCC)[n-]c(=O)c2[C@H]1c1ccc(OC)cc1 ZINC000100951288 568803779 /nfs/dbraw/zinc/80/37/79/568803779.db2.gz FSAYAXSFTIBYDJ-SFHVURJKSA-N -1 1 441.553 4.231 50 30 IIEAMM C=CCOc1c(Br)cc(C=C2SC(=S)[N-]C2=O)cc1Br ZINC000017099366 568850826 /nfs/dbraw/zinc/85/08/26/568850826.db2.gz PXJIXSWQGQJNBZ-UXBLZVDNSA-N -1 1 435.162 4.265 50 30 IIEAMM O=C([N-]S(=O)(=O)c1cnccc1Sc1cccc(Cl)c1)NC1CCCCC1 ZINC000006238424 568880692 /nfs/dbraw/zinc/88/06/92/568880692.db2.gz FOASGZNDUKVVBL-UHFFFAOYSA-N -1 1 425.963 4.411 50 30 IIEAMM O=S(=O)(N=C([O-])NC1CCCCC1)c1cnccc1Sc1cccc(Cl)c1 ZINC000006238424 568880695 /nfs/dbraw/zinc/88/06/95/568880695.db2.gz FOASGZNDUKVVBL-UHFFFAOYSA-N -1 1 425.963 4.411 50 30 IIEAMM [O-]c1c(C=NNC([S-])=[NH+]c2ccccc2)cc(Br)c(O)c1Br ZINC000008798175 569476429 /nfs/dbraw/zinc/47/64/29/569476429.db2.gz ZVUZTONBCNIEEU-IDUWFGFVSA-N -1 1 445.136 4.355 50 30 IIEAMM C=CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2ccccc2OC)cc1 ZINC000008894856 569483715 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IXFQGPNPACMFTM-GOSISDBHSA-N -1 1 425.554 4.481 50 30 IIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@@H]2c2ccco2)nc1C ZINC000008740676 556206292 /nfs/dbraw/zinc/20/62/92/556206292.db2.gz NZFOJNGAEFTIAK-AWEZNQCLSA-N -1 1 444.490 4.066 50 30 IIEAMM COc1cccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nccs2)c1 ZINC000008845744 556226737 /nfs/dbraw/zinc/22/67/37/556226737.db2.gz QLQSEHKLEYBYQE-XCLFUZPHSA-N -1 1 448.500 4.258 50 30 IIEAMM COc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nccs2)c1 ZINC000008845744 556226741 /nfs/dbraw/zinc/22/67/41/556226741.db2.gz QLQSEHKLEYBYQE-XCLFUZPHSA-N -1 1 448.500 4.258 50 30 IIEAMM COc1cccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccc([N+](=O)[O-])cc2)c1 ZINC000009177688 556250148 /nfs/dbraw/zinc/25/01/48/556250148.db2.gz RCKXTXRCSJCFEA-OAQYLSRUSA-N -1 1 430.416 4.386 50 30 IIEAMM O=C(C1=C([O-])C(=O)N(c2ccccn2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000009312267 556280512 /nfs/dbraw/zinc/28/05/12/556280512.db2.gz FSOWOUILGXIBKV-IBGZPJMESA-N -1 1 435.823 4.426 50 30 IIEAMM N#Cc1ccc([C@@H]2c3c(=O)[n-]c(SCc4ccccc4)nc3NC3=C2C(=O)CCC3)cc1 ZINC000016286526 556597433 /nfs/dbraw/zinc/59/74/33/556597433.db2.gz DZHIUSQGQCKQSQ-FQEVSTJZSA-N -1 1 440.528 4.498 50 30 IIEAMM O=[N+]([O-])c1ccc([O-])c(CN=Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)c1 ZINC000034098575 556767361 /nfs/dbraw/zinc/76/73/61/556767361.db2.gz NYZUTTZQJYIBTC-OEAKJJBVSA-N -1 1 442.439 4.419 50 30 IIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@@H]2c2ccccc2)nc1C ZINC000017180318 557034492 /nfs/dbraw/zinc/03/44/92/557034492.db2.gz VJFOVDJYXSKPNH-HNNXBMFYSA-N -1 1 440.502 4.083 50 30 IIEAMM Cc1ccc(-c2nnc(COc3cccc([N-]S(=O)(=O)c4ccc(C#N)cc4)c3)o2)cc1 ZINC000033307434 557086754 /nfs/dbraw/zinc/08/67/54/557086754.db2.gz XWQUEXXNTAAFSF-UHFFFAOYSA-N -1 1 446.488 4.297 50 30 IIEAMM C=CCSc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@H]2c2ccccc2F)s1 ZINC000101325146 557273736 /nfs/dbraw/zinc/27/37/36/557273736.db2.gz HRWJBZDUOVLGSM-DPEHCCBOSA-N -1 1 443.481 4.175 50 30 IIEAMM CSc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)o3)[C@H]2c2ccc(C)cc2)s1 ZINC000102571950 557354781 /nfs/dbraw/zinc/35/47/81/557354781.db2.gz BNYDDHDAMPBOKR-DPEHCCBOSA-N -1 1 427.507 4.096 50 30 IIEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000102803885 557386029 /nfs/dbraw/zinc/38/60/29/557386029.db2.gz PDAAHLMEMGXQLS-JBCNATCCSA-N -1 1 434.448 4.017 50 30 IIEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000102803885 557386030 /nfs/dbraw/zinc/38/60/30/557386030.db2.gz PDAAHLMEMGXQLS-JBCNATCCSA-N -1 1 434.448 4.017 50 30 IIEAMM CCCOc1cccc([C@@H]2C(=C([O-])c3ccc(OC)cc3)C(=O)C(=O)N2c2cc(C)on2)c1 ZINC000102804376 557386421 /nfs/dbraw/zinc/38/64/21/557386421.db2.gz HFTAKSIBNKFFDI-HOGKFDNTSA-N -1 1 448.475 4.407 50 30 IIEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2cc(C)on2)c1 ZINC000102804376 557386424 /nfs/dbraw/zinc/38/64/24/557386424.db2.gz HFTAKSIBNKFFDI-HOGKFDNTSA-N -1 1 448.475 4.407 50 30 IIEAMM 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CCOc1cccc([C@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2nnc(SC)s2)c1 ZINC000009012619 569496578 /nfs/dbraw/zinc/49/65/78/569496578.db2.gz SSDRWJNQVQXXLK-HNNXBMFYSA-N -1 1 443.506 4.035 50 30 IIEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nccs4)[C@H]3c3ccc(F)cc3)ccc2O1 ZINC000009243461 569514985 /nfs/dbraw/zinc/51/49/85/569514985.db2.gz JVOBIYQCSUZGJT-BLVKFPJESA-N -1 1 436.464 4.389 50 30 IIEAMM COc1cc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nccs2)ccc1O ZINC000009354496 569525041 /nfs/dbraw/zinc/52/50/41/569525041.db2.gz RJXOLUBLQRNADR-QGZVFWFLSA-N -1 1 442.880 4.294 50 30 IIEAMM COc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2cc(C)on2)c1OC ZINC000009460851 569536964 /nfs/dbraw/zinc/53/69/64/569536964.db2.gz MEWZUMFMSUUHEX-HXUWFJFHSA-N -1 1 434.448 4.092 50 30 IIEAMM CC[C@H](C)Sc1nc2c(c(=O)[n-]1)[C@H](c1cccc([N+](=O)[O-])c1)C1=C(CCCC1=O)N2 ZINC000009494372 569540931 /nfs/dbraw/zinc/54/09/31/569540931.db2.gz NWTGNPHBZBJQCX-MEDUHNTESA-N -1 1 426.498 4.133 50 30 IIEAMM Cc1ccc(Cc2nnc(-c3cc([N-]S(=O)(=O)c4ccc(C#N)cc4)ccc3F)o2)cc1 ZINC000021358810 524695690 /nfs/dbraw/zinc/69/56/90/524695690.db2.gz BNEIYWJNHBXACJ-UHFFFAOYSA-N -1 1 448.479 4.447 50 30 IIEAMM C=CCOc1ccc([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nnc(C)s2)cc1 ZINC000002501866 555784551 /nfs/dbraw/zinc/78/45/51/555784551.db2.gz PHRSQZZPVYWUJA-KRWDZBQOSA-N -1 1 439.518 4.256 50 30 IIEAMM CCOc1ccc([C@H]2c3c(=O)[n-]c(SCC)nc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004194189 555975160 /nfs/dbraw/zinc/97/51/60/555975160.db2.gz FVHCKCJAYWMBTR-QGZVFWFLSA-N -1 1 425.554 4.481 50 30 IIEAMM Cc1ccc(CSc2nc3c(c(=O)[n-]2)[C@@H](c2ccncc2)C2=C(CCCC2=O)N3)cc1 ZINC000005074936 556031368 /nfs/dbraw/zinc/03/13/68/556031368.db2.gz JHXICTVCMWBYMM-IBGZPJMESA-N -1 1 430.533 4.330 50 30 IIEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nnc(C)s3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000008738926 556205425 /nfs/dbraw/zinc/20/54/25/556205425.db2.gz IEYWGVWGUVITNK-LJQANCHMSA-N -1 1 435.505 4.337 50 30 IIEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(C)s3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000008738926 556205429 /nfs/dbraw/zinc/20/54/29/556205429.db2.gz IEYWGVWGUVITNK-LJQANCHMSA-N -1 1 435.505 4.337 50 30 IIEAMM CN(C)c1ccc(/C=N/N2C(=S)SC(C)(C)[C@@H]2N([O-])C(=O)Nc2ccccc2)cc1 ZINC000013756974 556300761 /nfs/dbraw/zinc/30/07/61/556300761.db2.gz IBMKAAKWKAOBCL-OVBDPADQSA-N -1 1 443.598 4.448 50 30 IIEAMM COc1ccc([C@@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2ccccn2)cc1OC ZINC000013118869 556471494 /nfs/dbraw/zinc/47/14/94/556471494.db2.gz QVNPEKBUIBDQLD-OAQYLSRUSA-N -1 1 434.423 4.021 50 30 IIEAMM COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2ccccn2)cc1OC ZINC000013118869 556471496 /nfs/dbraw/zinc/47/14/96/556471496.db2.gz QVNPEKBUIBDQLD-OAQYLSRUSA-N -1 1 434.423 4.021 50 30 IIEAMM Cc1n[nH]c2c1[C@H](c1ccc(OCC(=O)[O-])cc1)C1=C(C[C@@H](c3cccs3)CC1=O)N2 ZINC000018199368 557251056 /nfs/dbraw/zinc/25/10/56/557251056.db2.gz PGNQMTDTFXWNTR-SZNDQCEHSA-N -1 1 435.505 4.201 50 30 IIEAMM C=CCSc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@@H]2c2ccc(C)cc2)s1 ZINC000101325221 557273659 /nfs/dbraw/zinc/27/36/59/557273659.db2.gz ANSSWJRJROQRKR-UYTDBDHRSA-N -1 1 439.518 4.344 50 30 IIEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(C)cc2)s1 ZINC000102663890 557362292 /nfs/dbraw/zinc/36/22/92/557362292.db2.gz MQBLTUUSRBXJPR-BIKSHUFOSA-N -1 1 447.516 4.105 50 30 IIEAMM CCc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nccs2)cc1 ZINC000102677165 557367985 /nfs/dbraw/zinc/36/79/85/557367985.db2.gz YQBGRIKYXXXVCY-YDJIHCHBSA-N -1 1 448.500 4.103 50 30 IIEAMM CCc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nccs2)cc1 ZINC000102677165 557367987 /nfs/dbraw/zinc/36/79/87/557367987.db2.gz YQBGRIKYXXXVCY-YDJIHCHBSA-N -1 1 448.500 4.103 50 30 IIEAMM CCOc1ccc([C@H]2C(=C([O-])c3cccc(OC)c3)C(=O)C(=O)N2c2cc(C)on2)cc1 ZINC000102803562 557385908 /nfs/dbraw/zinc/38/59/08/557385908.db2.gz AMPRPJXXVSZOCH-MRJHHRETSA-N -1 1 434.448 4.017 50 30 IIEAMM CCOc1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C([O-])C(=O)N2c2cc(C)on2)cc1 ZINC000102803562 557385913 /nfs/dbraw/zinc/38/59/13/557385913.db2.gz AMPRPJXXVSZOCH-MRJHHRETSA-N -1 1 434.448 4.017 50 30 IIEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccc([N+](=O)[O-])cc2)no1 ZINC000102804172 557386431 /nfs/dbraw/zinc/38/64/31/557386431.db2.gz AJXDRFLUFAPINL-YDJIHCHBSA-N -1 1 445.387 4.264 50 30 IIEAMM COc1ccccc1[C@H]1C(=C([O-])c2cc3ccccc3o2)C(=O)C(=O)N1c1cc(C)on1 ZINC000102869441 557405071 /nfs/dbraw/zinc/40/50/71/557405071.db2.gz AFWKJYSVECCZDY-MRJHHRETSA-N -1 1 430.416 4.364 50 30 IIEAMM COc1ccccc1[C@H]1C(C(=O)c2cc3ccccc3o2)=C([O-])C(=O)N1c1cc(C)on1 ZINC000102869441 557405074 /nfs/dbraw/zinc/40/50/74/557405074.db2.gz AFWKJYSVECCZDY-MRJHHRETSA-N -1 1 430.416 4.364 50 30 IIEAMM C=CCOc1ccccc1[C@H]1CC(=O)Nc2nc(SCc3ccc(C)cc3)[n-]c(=O)c21 ZINC000086057251 568642464 /nfs/dbraw/zinc/64/24/64/568642464.db2.gz YDSIYOBHYMJNRH-GOSISDBHSA-N -1 1 433.533 4.410 50 30 IIEAMM CCSc1nc2c(c(=O)[n-]1)[C@@H](c1cc(OC)ccc1OC)C1=C(CC(C)(C)CC1=O)N2 ZINC000000959784 568646570 /nfs/dbraw/zinc/64/65/70/568646570.db2.gz WEZAIUBWTNRPFC-KRWDZBQOSA-N -1 1 441.553 4.100 50 30 IIEAMM C=CCOC(=O)C1=C(C)Nc2nc(SCC(C)C)[n-]c(=O)c2[C@@H]1c1cccc(F)c1 ZINC000100951252 568803750 /nfs/dbraw/zinc/80/37/50/568803750.db2.gz WQQNGHFHSGICFJ-QGZVFWFLSA-N -1 1 429.517 4.218 50 30 IIEAMM CCOc1cc(C=N[O-])cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000252620452 569199296 /nfs/dbraw/zinc/19/92/96/569199296.db2.gz MEJWUAOVHAQBCE-UHFFFAOYSA-N -1 1 426.179 4.265 50 30 IIEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@@H]2c2ccc(Br)cc2)no1 ZINC000008740918 569472983 /nfs/dbraw/zinc/47/29/83/569472983.db2.gz NVDRMADHTMPJMZ-INIZCTEOSA-N -1 1 429.226 4.121 50 30 IIEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2nnc(SC)s2)cc1 ZINC000009012643 569496552 /nfs/dbraw/zinc/49/65/52/569496552.db2.gz PCJPHMUJJABCHD-OAHLLOKOSA-N -1 1 443.506 4.035 50 30 IIEAMM O=C(C1=C([O-])C(=O)N(c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000009272981 569518035 /nfs/dbraw/zinc/51/80/35/569518035.db2.gz WNFAKGISLOPBLZ-FQEVSTJZSA-N -1 1 445.387 4.286 50 30 IIEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2cc(C)on2)cc1OC ZINC000009349900 569524811 /nfs/dbraw/zinc/52/48/11/569524811.db2.gz DDKBTICIHPIHDP-JOCHJYFZSA-N -1 1 448.475 4.482 50 30 IIEAMM COc1cccc([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nnc(SC)s2)c1 ZINC000009487296 569539720 /nfs/dbraw/zinc/53/97/20/569539720.db2.gz SJORETKPTUOGGN-CQSZACIVSA-N -1 1 445.547 4.113 50 30 IIEAMM CCOC(=O)C1CCN(Cc2c3c(c(C)cc2[O-])C(=O)/C(=C/c2cccc(C)c2)O3)CC1 ZINC000094993416 520578433 /nfs/dbraw/zinc/57/84/33/520578433.db2.gz AKRYQGOFZKYQQQ-HMAPJEAMSA-N -1 1 435.520 4.400 50 30 IIEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccc(C)cc2)s1 ZINC000009446538 526354213 /nfs/dbraw/zinc/35/42/13/526354213.db2.gz YJJWTEMKLFVUAO-ZUOKHONESA-N -1 1 447.516 4.261 50 30 IIEAMM Cc1sc2nc(CS[C@@H](C)C(=O)Nc3n[n-]c(=S)n3C3CC3)[nH]c(=O)c2c1C ZINC000095464743 526893535 /nfs/dbraw/zinc/89/35/35/526893535.db2.gz FAGFKBJTJVVSDH-VIFPVBQESA-N -1 1 436.588 4.100 50 30 IIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccc(C)cc2)nc1C ZINC000000631183 555514874 /nfs/dbraw/zinc/51/48/74/555514874.db2.gz VSGDFFAKXNJWIJ-GOSISDBHSA-N -1 1 448.500 4.329 50 30 IIEAMM COc1ccccc1[C@H]1C(C(=O)c2ccccc2)=C([O-])C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000000856621 555571376 /nfs/dbraw/zinc/57/13/76/555571376.db2.gz YTUPVSGJHZRDSH-NRFANRHFSA-N -1 1 430.416 4.386 50 30 IIEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2cccs2)s1 ZINC000008739875 556205782 /nfs/dbraw/zinc/20/57/82/556205782.db2.gz FLMGEXGKFPHADW-QGZVFWFLSA-N -1 1 441.534 4.478 50 30 IIEAMM COc1ccc(C(=O)C2C(=O)C(=O)N(CCCCCC(=O)[O-])[C@@H]2c2ccc(F)cc2)cc1 ZINC000008925920 556234013 /nfs/dbraw/zinc/23/40/13/556234013.db2.gz JJOLAOPGGHQRQQ-OAQYLSRUSA-N -1 1 441.455 4.058 50 30 IIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@H]2c2cccs2)nc1C ZINC000009043545 556242332 /nfs/dbraw/zinc/24/23/32/556242332.db2.gz BNENQJYPRBEIHE-CQSZACIVSA-N -1 1 444.490 4.066 50 30 IIEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2ccco2)s1 ZINC000009302097 556275956 /nfs/dbraw/zinc/27/59/56/556275956.db2.gz RBSHUMNFCZQWRY-KRWDZBQOSA-N -1 1 425.466 4.010 50 30 IIEAMM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@@H]2c2ccccc2)nc1C ZINC000017160035 556670463 /nfs/dbraw/zinc/67/04/63/556670463.db2.gz YRRUVFJXBRBHDZ-SFHVURJKSA-N -1 1 448.500 4.411 50 30 IIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2)nc1C ZINC000017160035 556670466 /nfs/dbraw/zinc/67/04/66/556670466.db2.gz YRRUVFJXBRBHDZ-SFHVURJKSA-N -1 1 448.500 4.411 50 30 IIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@@H]2c2ccccc2)nc1C ZINC000017160285 556670581 /nfs/dbraw/zinc/67/05/81/556670581.db2.gz DERGDDRHXTXPLC-INIZCTEOSA-N -1 1 438.461 4.004 50 30 IIEAMM C=CCn1c(=O)[nH]c([O-])c(C2=Nc3ccccc3S[C@@H](c3ccc(Cl)cc3)C2)c1=O ZINC000101239079 557264727 /nfs/dbraw/zinc/26/47/27/557264727.db2.gz SWDCBVUIBKOSGY-GOSISDBHSA-N -1 1 439.924 4.440 50 30 IIEAMM C=CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccccn3)[C@H]2c2ccc(F)cc2)cc1 ZINC000101287469 557267960 /nfs/dbraw/zinc/26/79/60/557267960.db2.gz NIYMOVDIHRGABF-MOBKVPTQSA-N -1 1 430.435 4.412 50 30 IIEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@H]2c2ccc(F)cc2)cc1 ZINC000101287469 557267964 /nfs/dbraw/zinc/26/79/64/557267964.db2.gz NIYMOVDIHRGABF-MOBKVPTQSA-N -1 1 430.435 4.412 50 30 IIEAMM CC(=O)Nc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2F)cc1 ZINC000101502804 557290110 /nfs/dbraw/zinc/29/01/10/557290110.db2.gz YUNWJQPQHRKNDP-MOBKVPTQSA-N -1 1 430.435 4.410 50 30 IIEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2ccccc2)s1 ZINC000102369066 557318712 /nfs/dbraw/zinc/31/87/12/557318712.db2.gz GRRMPWRNJGLDNI-LFVOPCPISA-N -1 1 435.505 4.260 50 30 IIEAMM Cc1nc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@H]2c2ccc([N+](=O)[O-])cc2)sc1C ZINC000102516212 557350734 /nfs/dbraw/zinc/35/07/34/557350734.db2.gz AZFYSHVLDHBCHH-SELCWUDQSA-N -1 1 435.461 4.294 50 30 IIEAMM Cc1nc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccc([N+](=O)[O-])cc2)sc1C ZINC000102516212 557350738 /nfs/dbraw/zinc/35/07/38/557350738.db2.gz AZFYSHVLDHBCHH-SELCWUDQSA-N -1 1 435.461 4.294 50 30 IIEAMM CCCSc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@@H]2c2ccccc2F)s1 ZINC000102571186 557354762 /nfs/dbraw/zinc/35/47/62/557354762.db2.gz PULUQAXXLQQPKX-IDTYTIONSA-N -1 1 445.497 4.399 50 30 IIEAMM Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nccs2)cc1 ZINC000102674093 557363201 /nfs/dbraw/zinc/36/32/01/557363201.db2.gz IZCCMKLAWVBOIJ-UZTOYTNDSA-N -1 1 432.501 4.401 50 30 IIEAMM COc1ccc(OC)c([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2ccc(F)cc2)c1 ZINC000102799561 557389823 /nfs/dbraw/zinc/38/98/23/557389823.db2.gz VGLINGIOPYMULF-MOBKVPTQSA-N -1 1 433.435 4.469 50 30 IIEAMM COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2ccc(F)cc2)cc1OC ZINC000104124213 557450700 /nfs/dbraw/zinc/45/07/00/557450700.db2.gz QOAVIKVRZRWZRO-HOGKFDNTSA-N -1 1 433.435 4.469 50 30 IIEAMM CCSc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@H]2c2cccc(OC)c2)s1 ZINC000009374303 562969705 /nfs/dbraw/zinc/96/97/05/562969705.db2.gz LJUSDCYZVDOTMT-OAHLLOKOSA-N -1 1 443.506 4.035 50 30 IIEAMM C=CCOc1ccccc1[C@@H]1CC(=O)Nc2nc(SCc3cccc(C)c3)[n-]c(=O)c21 ZINC000086057139 568642352 /nfs/dbraw/zinc/64/23/52/568642352.db2.gz DJRFSOGMSKHZOO-SFHVURJKSA-N -1 1 433.533 4.410 50 30 IIEAMM C=CCc1ccc(OCCOc2ccc(C=C3SC(=S)[N-]C3=O)cc2)c(OC)c1 ZINC000015800326 568828647 /nfs/dbraw/zinc/82/86/47/568828647.db2.gz WNLSRGLEJVLVJL-ZHZULCJRSA-N -1 1 427.547 4.370 50 30 IIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2cccs2)nc1C ZINC000006144037 568845872 /nfs/dbraw/zinc/84/58/72/568845872.db2.gz NGRYVQOXIUMHCU-OAHLLOKOSA-N -1 1 440.502 4.083 50 30 IIEAMM O=C([O-])CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000020101291 569333974 /nfs/dbraw/zinc/33/39/74/569333974.db2.gz AZPXVXAUYGORGN-SFHVURJKSA-N -1 1 434.275 4.437 50 30 IIEAMM O=C(c1ccco1)C1=C([O-])C(=O)N(c2nccs2)[C@@H]1c1cccc(Br)c1 ZINC000096336102 569396783 /nfs/dbraw/zinc/39/67/83/569396783.db2.gz OCAXLZUOGBYOGG-CQSZACIVSA-N -1 1 431.267 4.282 50 30 IIEAMM CSc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@H]2c2ccc(Cl)cc2)s1 ZINC000009109891 569501973 /nfs/dbraw/zinc/50/19/73/569501973.db2.gz SLDOMHPCPQLDAS-CYBMUJFWSA-N -1 1 433.898 4.289 50 30 IIEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccc(O)cc2)cc1 ZINC000009233567 569513830 /nfs/dbraw/zinc/51/38/30/569513830.db2.gz JAMMAKZKGCTTMK-IBGZPJMESA-N -1 1 436.489 4.257 50 30 IIEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(C)cc2)s1 ZINC000009446537 569535932 /nfs/dbraw/zinc/53/59/32/569535932.db2.gz YJJWTEMKLFVUAO-RBZFPXEDSA-N -1 1 447.516 4.261 50 30 IIEAMM COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2cc(C)on2)c(OC)c1 ZINC000009462103 569537250 /nfs/dbraw/zinc/53/72/50/569537250.db2.gz FMKAGMPVLYSUOH-NRFANRHFSA-N -1 1 434.448 4.092 50 30 IIEAMM C=CCn1c(SCC(=O)c2ccc([O-])c(O)c2)nc2sc3c(c2c1=O)CC[C@H](C)C3 ZINC000008633013 519231900 /nfs/dbraw/zinc/23/19/00/519231900.db2.gz QGTXMXXZJRUDRC-LBPRGKRZSA-N -1 1 442.562 4.155 50 30 IIEAMM CCOC(=O)c1ccc(N2C(=O)C(=O)C(=C([O-])C3CC3)[C@H]2c2ccc(F)cc2F)cc1 ZINC000058306426 521482799 /nfs/dbraw/zinc/48/27/99/521482799.db2.gz SUOFIXIKGHXPIB-LJQANCHMSA-N -1 1 427.403 4.021 50 30 IIEAMM CCN1CCN(c2ccc(C(=O)/C=C/c3ccc([O-])c(Br)c3)cc2F)CC1 ZINC000012610407 521697491 /nfs/dbraw/zinc/69/74/91/521697491.db2.gz MQEHOGFNZMJPKE-XVNBXDOJSA-N -1 1 433.321 4.332 50 30 IIEAMM CN(C)CCN1C(=O)C(=O)C(=C([O-])c2ccc(F)cc2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000008996564 521755774 /nfs/dbraw/zinc/75/57/74/521755774.db2.gz NSRRNBHJZVVFGR-SELCWUDQSA-N -1 1 437.298 4.116 50 30 IIEAMM COc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCCCCC(=O)[O-])cc1 ZINC000006458990 556089351 /nfs/dbraw/zinc/08/93/51/556089351.db2.gz IEFHKWMRDRSTGJ-NRFANRHFSA-N -1 1 441.455 4.058 50 30 IIEAMM O=C(C1=C([O-])C(=O)N(c2nccs2)[C@@H]1c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000009069203 556245192 /nfs/dbraw/zinc/24/51/92/556245192.db2.gz FHNUVNFNUKYBIZ-MRXNPFEDSA-N -1 1 441.852 4.488 50 30 IIEAMM COc1cccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC000009374860 556286801 /nfs/dbraw/zinc/28/68/01/556286801.db2.gz WPPXOBJNHVZTKO-NRFANRHFSA-N -1 1 430.416 4.386 50 30 IIEAMM CCCSc1nc2c(c(=O)[n-]1)[C@H](c1ccccc1[N+](=O)[O-])C1=C(CC(C)(C)CC1=O)N2 ZINC000016346277 556601440 /nfs/dbraw/zinc/60/14/40/556601440.db2.gz KGRZPSFVZWOUJN-MRXNPFEDSA-N -1 1 440.525 4.381 50 30 IIEAMM CC[C@@H](C)Sc1nc2c(c(=O)[n-]1)[C@H](c1ccc([N+](=O)[O-])cc1)C1=C(CCCC1=O)N2 ZINC000017268847 557048229 /nfs/dbraw/zinc/04/82/29/557048229.db2.gz GWGZCTVLGJUKTE-BDJLRTHQSA-N -1 1 426.498 4.133 50 30 IIEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000101287477 557268026 /nfs/dbraw/zinc/26/80/26/557268026.db2.gz LQVNGMLGJTXRHJ-JBCNATCCSA-N -1 1 434.423 4.313 50 30 IIEAMM C=CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccccn3)[C@H]2c2ccccc2F)cc1 ZINC000101288028 557268324 /nfs/dbraw/zinc/26/83/24/557268324.db2.gz VLKIYDABHDOUBF-MOBKVPTQSA-N -1 1 430.435 4.412 50 30 IIEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@H]2c2ccccc2F)cc1 ZINC000101288028 557268328 /nfs/dbraw/zinc/26/83/28/557268328.db2.gz VLKIYDABHDOUBF-MOBKVPTQSA-N -1 1 430.435 4.412 50 30 IIEAMM O=C1CCCC2=C1[C@H](c1ccc(O)cc1)c1c(=O)[n-]c(SCc3ccccc3F)nc1N2 ZINC000100821586 557276698 /nfs/dbraw/zinc/27/66/98/557276698.db2.gz TTYPMGGBVLMUOY-IBGZPJMESA-N -1 1 449.507 4.471 50 30 IIEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C([O-])C(=O)N2c2cc(C)on2)cc1 ZINC000102713293 557374446 /nfs/dbraw/zinc/37/44/46/557374446.db2.gz YQYVYNRTXDWTJK-HOGKFDNTSA-N -1 1 448.475 4.325 50 30 IIEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2cccc(OC)c2)cc1 ZINC000102804074 557385976 /nfs/dbraw/zinc/38/59/76/557385976.db2.gz WPPNJZNCSLPCHL-MRJHHRETSA-N -1 1 434.448 4.017 50 30 IIEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2cccc(OC)c2)cc1 ZINC000102804074 557385979 /nfs/dbraw/zinc/38/59/79/557385979.db2.gz WPPNJZNCSLPCHL-MRJHHRETSA-N -1 1 434.448 4.017 50 30 IIEAMM Cc1nc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@H]2c2cccc([N+](=O)[O-])c2)sc1C ZINC000102800348 557390103 /nfs/dbraw/zinc/39/01/03/557390103.db2.gz XRMDILVXSWSIAK-IBOXJLQUSA-N -1 1 441.490 4.356 50 30 IIEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2ccccc2F)cc1Cl ZINC000102800693 557390630 /nfs/dbraw/zinc/39/06/30/557390630.db2.gz GHIMZBNLATZDCI-WOOAAIBNSA-N -1 1 442.830 4.410 50 30 IIEAMM COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2ccc(F)cc2)c(OC)c1 ZINC000102865793 557404392 /nfs/dbraw/zinc/40/43/92/557404392.db2.gz HNWFRPNXQNHPJJ-HOGKFDNTSA-N -1 1 433.435 4.469 50 30 IIEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccc([N+](=O)[O-])cc2)no1 ZINC000008856438 562965285 /nfs/dbraw/zinc/96/52/85/562965285.db2.gz VHVXGZDDADGJCI-HXUWFJFHSA-N -1 1 445.387 4.420 50 30 IIEAMM O=C([O-])CCCCCN1C(=O)C(=O)C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 ZINC000006460134 568910074 /nfs/dbraw/zinc/91/00/74/568910074.db2.gz LUGWDEWBPBKTHL-FQEVSTJZSA-N -1 1 429.419 4.188 50 30 IIEAMM C=CCOc1ccc([C@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nnc(C)s2)cc1 ZINC000002501858 569406055 /nfs/dbraw/zinc/40/60/55/569406055.db2.gz KUOGWNMNCKQSLQ-IBGZPJMESA-N -1 1 433.489 4.194 50 30 IIEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nnc(C)s2)cc1 ZINC000002501858 569406056 /nfs/dbraw/zinc/40/60/56/569406056.db2.gz KUOGWNMNCKQSLQ-IBGZPJMESA-N -1 1 433.489 4.194 50 30 IIEAMM C=CCOc1cccc([C@@H]2C(=C([O-])c3cccc(OC)c3)C(=O)C(=O)N2c2cc(C)on2)c1 ZINC000008895352 569483805 /nfs/dbraw/zinc/48/38/05/569483805.db2.gz LKWXFPIQWLAPAX-JOCHJYFZSA-N -1 1 446.459 4.339 50 30 IIEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C([O-])C(=O)N2c2cc(C)on2)c1 ZINC000008895352 569483806 /nfs/dbraw/zinc/48/38/06/569483806.db2.gz LKWXFPIQWLAPAX-JOCHJYFZSA-N -1 1 446.459 4.339 50 30 IIEAMM COc1cc([C@@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nc(C)c(C)s2)ccc1O ZINC000009178190 569509794 /nfs/dbraw/zinc/50/97/94/569509794.db2.gz HCCLKBMUAMCORX-QGZVFWFLSA-N -1 1 442.518 4.319 50 30 IIEAMM COc1cc([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc(C)c(C)s2)ccc1O ZINC000009178190 569509795 /nfs/dbraw/zinc/50/97/95/569509795.db2.gz HCCLKBMUAMCORX-QGZVFWFLSA-N -1 1 442.518 4.319 50 30 IIEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(C)cc2)s1 ZINC000009446535 569535895 /nfs/dbraw/zinc/53/58/95/569535895.db2.gz YJJWTEMKLFVUAO-RNODOKPDSA-N -1 1 447.516 4.261 50 30 IIEAMM CSc1nnc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@H]2c2ccccc2F)s1 ZINC000009453607 569536606 /nfs/dbraw/zinc/53/66/06/569536606.db2.gz GPFUCSWCHYKTKU-CYBMUJFWSA-N -1 1 433.511 4.244 50 30 IIEAMM COc1ccccc1/C=N/N1C(=S)SC(C)(C)[C@H]1N([O-])C(=O)Nc1ccccc1 ZINC000013757010 556300772 /nfs/dbraw/zinc/30/07/72/556300772.db2.gz RCCNQVRRRBCYSX-VYVDHXHBSA-N -1 1 430.555 4.391 50 30 IIEAMM CCCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccccc1[N+](=O)[O-])C1=C(CC(C)(C)CC1=O)N2 ZINC000016346280 556601409 /nfs/dbraw/zinc/60/14/09/556601409.db2.gz KGRZPSFVZWOUJN-INIZCTEOSA-N -1 1 440.525 4.381 50 30 IIEAMM Cc1ccc([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2ncc([N+](=O)[O-])s2)cc1 ZINC000016700102 556629728 /nfs/dbraw/zinc/62/97/28/556629728.db2.gz RLJLNNGUDDSCCY-OAHLLOKOSA-N -1 1 427.463 4.204 50 30 IIEAMM O=C(C1=C([O-])C(=O)N(c2ccccn2)[C@@H]1c1cccnc1)c1cccc(Br)c1 ZINC000018068115 556682702 /nfs/dbraw/zinc/68/27/02/556682702.db2.gz XQCUDFVUTLGBQC-GOSISDBHSA-N -1 1 436.265 4.022 50 30 IIEAMM CCC(=O)Nc1c(C)noc1/C=C\c1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2)cc1 ZINC000033297925 557073905 /nfs/dbraw/zinc/07/39/05/557073905.db2.gz PXGCWGSKKAHMJG-JYRVWZFOSA-N -1 1 436.493 4.174 50 30 IIEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(Br)cc3)[C@H]2c2ccccc2)no1 ZINC000101062659 557219337 /nfs/dbraw/zinc/21/93/37/557219337.db2.gz JNKBERDBXHZOHF-SELCWUDQSA-N -1 1 439.265 4.372 50 30 IIEAMM C=CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000101287615 557267857 /nfs/dbraw/zinc/26/78/57/557267857.db2.gz HOPDNQZYJSGUOA-HOGKFDNTSA-N -1 1 446.459 4.183 50 30 IIEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000101287615 557267862 /nfs/dbraw/zinc/26/78/62/557267862.db2.gz HOPDNQZYJSGUOA-HOGKFDNTSA-N -1 1 446.459 4.183 50 30 IIEAMM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc(OC)cc3)C(=O)C(=O)N2c2cc(C)on2)cc1 ZINC000101294058 557269574 /nfs/dbraw/zinc/26/95/74/557269574.db2.gz PZEHRDKNGLKSJJ-MOBKVPTQSA-N -1 1 446.459 4.183 50 30 IIEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2cc(C)on2)cc1 ZINC000101294058 557269577 /nfs/dbraw/zinc/26/95/77/557269577.db2.gz PZEHRDKNGLKSJJ-MOBKVPTQSA-N -1 1 446.459 4.183 50 30 IIEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2cc(C)on2)c1 ZINC000101313302 557272149 /nfs/dbraw/zinc/27/21/49/557272149.db2.gz ZDRPBMQYPQSMAS-HOGKFDNTSA-N -1 1 430.460 4.483 50 30 IIEAMM CCSc1nnc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@@H]2c2ccc(F)cc2)s1 ZINC000102575897 557355149 /nfs/dbraw/zinc/35/51/49/557355149.db2.gz YNXSIEPISZECCW-MRPLLJTBSA-N -1 1 447.538 4.477 50 30 IIEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nccs4)[C@@H]3c3ccccc3F)ccc2O1 ZINC000102651365 557361714 /nfs/dbraw/zinc/36/17/14/557361714.db2.gz UEDLFYMNXOQNKC-LNMXKIQISA-N -1 1 436.464 4.232 50 30 IIEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2cccs2)cc1 ZINC000102798893 557389409 /nfs/dbraw/zinc/38/94/09/557389409.db2.gz BDSFHJYBTDXPDF-GROYHEBESA-N -1 1 426.519 4.456 50 30 IIEAMM Cc1nc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@@H]2c2cccc([N+](=O)[O-])c2)sc1C ZINC000102800350 557390469 /nfs/dbraw/zinc/39/04/69/557390469.db2.gz XRMDILVXSWSIAK-UYTDBDHRSA-N -1 1 441.490 4.356 50 30 IIEAMM CC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2cccnc2)nc1C ZINC000019137690 568745175 /nfs/dbraw/zinc/74/51/75/568745175.db2.gz LUSZWIPHPGDZPW-IBGZPJMESA-N -1 1 447.516 4.449 50 30 IIEAMM C=CCOC(=O)C1=C(C)Nc2nc(SCC(C)C)[n-]c(=O)c2[C@H]1c1sccc1C ZINC000100951258 568803653 /nfs/dbraw/zinc/80/36/53/568803653.db2.gz ZWCQHWPSXADJGK-HNNXBMFYSA-N -1 1 431.583 4.449 50 30 IIEAMM C=CCOC(=O)C1=C(C)Nc2nc(SCCCC)[n-]c(=O)c2[C@H]1c1cccc(OC)c1 ZINC000100951284 568803680 /nfs/dbraw/zinc/80/36/80/568803680.db2.gz LNOKVOVPIBGMOS-SFHVURJKSA-N -1 1 441.553 4.231 50 30 IIEAMM C=CCOC(=O)C1=C(C)Nc2nc(SCC=C)[n-]c(=O)c2[C@@H]1c1ccc(Cl)cc1 ZINC000100951300 568803718 /nfs/dbraw/zinc/80/37/18/568803718.db2.gz LZSVNNWHXDWLQW-MRXNPFEDSA-N -1 1 429.929 4.262 50 30 IIEAMM COc1cc(C=NNc2nc(C)cc(=O)[n-]2)ccc1OC(=O)c1ccc(Cl)cc1Cl ZINC000006143393 568845658 /nfs/dbraw/zinc/84/56/58/568845658.db2.gz XOSWPWFNPDBGBK-AUEPDCJTSA-N -1 1 447.278 4.059 50 30 IIEAMM C=CCn1c(Cc2csc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3)n2)n[n-]c1=S ZINC000025681924 568862097 /nfs/dbraw/zinc/86/20/97/568862097.db2.gz BPUVVWMFKRCOCQ-LLVKDONJSA-N -1 1 435.962 4.233 50 30 IIEAMM CCCOc1cccc([C@@H]2C(=C([O-])c3cccc(OC)c3)C(=O)C(=O)N2c2cc(C)on2)c1 ZINC000102699438 568888303 /nfs/dbraw/zinc/88/83/03/568888303.db2.gz BEMOZMDOLYENCA-HOGKFDNTSA-N -1 1 448.475 4.407 50 30 IIEAMM CCCOc1cccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C([O-])C(=O)N2c2cc(C)on2)c1 ZINC000102699438 568888306 /nfs/dbraw/zinc/88/83/06/568888306.db2.gz BEMOZMDOLYENCA-HOGKFDNTSA-N -1 1 448.475 4.407 50 30 IIEAMM CCOc1cc(/C=N/n2cnnc2SCc2ccccc2)cc(Br)c1[O-] ZINC000008921752 569486839 /nfs/dbraw/zinc/48/68/39/569486839.db2.gz GUZSOQHUMONERF-UFFVCSGVSA-N -1 1 433.331 4.319 50 30 IIEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2cc(C)on2)c1 ZINC000008996240 569495767 /nfs/dbraw/zinc/49/57/67/569495767.db2.gz KIUSALKFAGIRHF-NRFANRHFSA-N -1 1 434.423 4.470 50 30 IIEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2cc(C)on2)c1 ZINC000008996239 569495778 /nfs/dbraw/zinc/49/57/78/569495778.db2.gz KIUSALKFAGIRHF-OAQYLSRUSA-N -1 1 434.423 4.470 50 30 IIEAMM CCOc1ccc([C@@H]2C(=C([O-])c3cccc(OC)c3)C(=O)C(=O)N2c2cc(C)on2)cc1 ZINC000008996566 569495807 /nfs/dbraw/zinc/49/58/07/569495807.db2.gz ZCRSNYDPYKPNFQ-OAQYLSRUSA-N -1 1 434.448 4.173 50 30 IIEAMM CCOc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C([O-])C(=O)N2c2cc(C)on2)cc1 ZINC000008996566 569495808 /nfs/dbraw/zinc/49/58/08/569495808.db2.gz ZCRSNYDPYKPNFQ-OAQYLSRUSA-N -1 1 434.448 4.173 50 30 IIEAMM CCOc1ccc([C@@H]2C(=C([O-])c3ccc(OC)cc3)C(=O)C(=O)N2c2cc(C)on2)cc1 ZINC000008996776 569495852 /nfs/dbraw/zinc/49/58/52/569495852.db2.gz BQHBJRDKSPWAOI-OAQYLSRUSA-N -1 1 434.448 4.173 50 30 IIEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2cc(C)on2)cc1 ZINC000008996776 569495853 /nfs/dbraw/zinc/49/58/53/569495853.db2.gz BQHBJRDKSPWAOI-OAQYLSRUSA-N -1 1 434.448 4.173 50 30 IIEAMM O=C(C1=C([O-])C(=O)N(c2ncccn2)[C@H]1c1cccc(Br)c1)c1ccccc1 ZINC000009008726 569496338 /nfs/dbraw/zinc/49/63/38/569496338.db2.gz YKQNDNKUAAMJGG-KRWDZBQOSA-N -1 1 436.265 4.022 50 30 IIEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2ccccc2F)cc1 ZINC000009411626 569531521 /nfs/dbraw/zinc/53/15/21/569531521.db2.gz WYYQPFOXTWBFNI-OAQYLSRUSA-N -1 1 434.423 4.470 50 30 IIEAMM COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2cc(C)on2)c(OC)c1 ZINC000009462101 569537260 /nfs/dbraw/zinc/53/72/60/569537260.db2.gz FMKAGMPVLYSUOH-OAQYLSRUSA-N -1 1 434.448 4.092 50 30 IIEAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3sc4c(c3C#N)CCC4)cc2)cc1 ZINC000009714913 569562976 /nfs/dbraw/zinc/56/29/76/569562976.db2.gz GUKDCEMHKAWUME-UHFFFAOYSA-N -1 1 437.546 4.470 50 30 IIEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccncc2)cc1F ZINC000013693368 523567919 /nfs/dbraw/zinc/56/79/19/523567919.db2.gz TYXWZZTVHQUTTF-SFHVURJKSA-N -1 1 439.468 4.086 50 30 IIEAMM O=[N+]([O-])c1cccc(CN=Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)c1[O-] ZINC000036559369 527384400 /nfs/dbraw/zinc/38/44/00/527384400.db2.gz XCGQDYKFJUZZSE-OEAKJJBVSA-N -1 1 442.439 4.419 50 30 IIEAMM COc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2nnc(C)s2)cc1 ZINC000001129469 555643414 /nfs/dbraw/zinc/64/34/14/555643414.db2.gz WNRSTYAAIMOVJC-IBGZPJMESA-N -1 1 447.472 4.384 50 30 IIEAMM O=C(C1=C([O-])C(=O)N(c2ccccn2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000009312266 556280520 /nfs/dbraw/zinc/28/05/20/556280520.db2.gz FSOWOUILGXIBKV-LJQANCHMSA-N -1 1 435.823 4.426 50 30 IIEAMM COc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000009380617 556287165 /nfs/dbraw/zinc/28/71/65/556287165.db2.gz POAYUYOSSYKIEK-NRFANRHFSA-N -1 1 430.416 4.386 50 30 IIEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2cccs2)s1 ZINC000012062508 556395792 /nfs/dbraw/zinc/39/57/92/556395792.db2.gz VKDUYOSONXMVSX-BMLIUANNSA-N -1 1 439.518 4.014 50 30 IIEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Br)cc2)no1 ZINC000101069956 557223699 /nfs/dbraw/zinc/22/36/99/557223699.db2.gz RFVNXDHCATXDJJ-GHNGSUTGSA-N -1 1 439.265 4.372 50 30 IIEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2ccccc2F)cc1 ZINC000101288043 557268287 /nfs/dbraw/zinc/26/82/87/557268287.db2.gz YRCSFQGRQARWTH-JBCNATCCSA-N -1 1 434.423 4.313 50 30 IIEAMM CC(=O)Nc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000101503826 557290222 /nfs/dbraw/zinc/29/02/22/557290222.db2.gz RORNBABCNDBEGQ-MOBKVPTQSA-N -1 1 430.435 4.410 50 30 IIEAMM CSc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(F)cc2)s1 ZINC000102597560 557357417 /nfs/dbraw/zinc/35/74/17/557357417.db2.gz PXDFJVDFKOXMAE-IBOXJLQUSA-N -1 1 441.509 4.334 50 30 IIEAMM O=C(C1=C([O-])C(=O)N(c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000102616048 557359258 /nfs/dbraw/zinc/35/92/58/557359258.db2.gz RBYRNYOYUHYJMV-YDJIHCHBSA-N -1 1 445.387 4.129 50 30 IIEAMM COc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccccc2)cc1 ZINC000102627257 557360304 /nfs/dbraw/zinc/36/03/04/557360304.db2.gz PLGVNJCYVOBOSS-MRJHHRETSA-N -1 1 430.416 4.230 50 30 IIEAMM COc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccccc2)cc1 ZINC000102627249 557360370 /nfs/dbraw/zinc/36/03/70/557360370.db2.gz PLGVNJCYVOBOSS-JBCNATCCSA-N -1 1 430.416 4.230 50 30 IIEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ncccn3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000102706732 557366958 /nfs/dbraw/zinc/36/69/58/557366958.db2.gz PKLFLZPVQLMHBY-WOOAAIBNSA-N -1 1 435.867 4.155 50 30 IIEAMM CCc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)OCCO4)C(=O)C(=O)N2c2nccs2)cc1 ZINC000102677166 557367998 /nfs/dbraw/zinc/36/79/98/557367998.db2.gz YQBGRIKYXXXVCY-NHFXJNLRSA-N -1 1 448.500 4.103 50 30 IIEAMM CCc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nccs2)cc1 ZINC000102677166 557368001 /nfs/dbraw/zinc/36/80/01/557368001.db2.gz YQBGRIKYXXXVCY-NHFXJNLRSA-N -1 1 448.500 4.103 50 30 IIEAMM COc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccc(F)cc2)cc1 ZINC000104137015 557451306 /nfs/dbraw/zinc/45/13/06/557451306.db2.gz UIGBQDZLNSKGRK-JBCNATCCSA-N -1 1 448.406 4.369 50 30 IIEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2cc(C)on2)cc1OC ZINC000009360439 562969608 /nfs/dbraw/zinc/96/96/08/562969608.db2.gz BBYYBKZUNWZEDW-FQEVSTJZSA-N -1 1 438.436 4.075 50 30 IIEAMM C=CCOc1ccc([C@@H]2CC(=O)Nc3nc(SCc4ccccc4)[n-]c(=O)c32)cc1OC ZINC000086056898 568642243 /nfs/dbraw/zinc/64/22/43/568642243.db2.gz XGGPENXEZPHQCU-KRWDZBQOSA-N -1 1 449.532 4.110 50 30 IIEAMM CCSc1nc2c(c(=O)[n-]1)[C@H](c1ccc(Br)cc1)C1=C(CCCC1=O)N2 ZINC000000959843 568646562 /nfs/dbraw/zinc/64/65/62/568646562.db2.gz YXIOWULYFOCLPX-CQSZACIVSA-N -1 1 432.343 4.209 50 30 IIEAMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2[C@@H](C#Cc2ccccc2)N2CCOCC2)cc1 ZINC000019211928 568853621 /nfs/dbraw/zinc/85/36/21/568853621.db2.gz QBTFFVZEKPTZAR-AREMUKBSSA-N -1 1 446.572 4.221 50 30 IIEAMM O=C(C1=C([O-])C(=O)N(c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000009272980 569518014 /nfs/dbraw/zinc/51/80/14/569518014.db2.gz WNFAKGISLOPBLZ-HXUWFJFHSA-N -1 1 445.387 4.286 50 30 IIEAMM O=C(C1=C([O-])C(=O)N(c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000009370494 569526839 /nfs/dbraw/zinc/52/68/39/569526839.db2.gz WHLLNUTUGHWFOP-FQEVSTJZSA-N -1 1 445.387 4.286 50 30 IIEAMM Cc1c(C#N)c([N-]C(=O)c2ccc([N+](=O)[O-])s2)sc1Cc1ccc2c(c1)OCO2 ZINC000009390679 569528689 /nfs/dbraw/zinc/52/86/89/569528689.db2.gz WHYFKOXOINRWGA-UHFFFAOYSA-N -1 1 427.463 4.470 50 30 IIEAMM C=CCSc1nc2c(c(=O)[n-]1)[C@H](c1ccc(N(C)C)cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000009524332 519079886 /nfs/dbraw/zinc/07/98/86/519079886.db2.gz CJSXMFIRBJITNA-GOSISDBHSA-N -1 1 436.581 4.315 50 30 IIEAMM C=CCn1c2c(c(=O)[n-]c1=S)C(C(F)(F)F)(C(F)(F)F)N=C(c1ccccc1)N2 ZINC000012379158 519258950 /nfs/dbraw/zinc/25/89/50/519258950.db2.gz XVVCDOWVVNTIAF-UHFFFAOYSA-N -1 1 434.365 4.284 50 30 IIEAMM CCOC(=O)C1=C(Nc2ccc(OC)c(OC)c2)SC(=Cc2cccc(F)c2[O-])C1=O ZINC000036301327 520534202 /nfs/dbraw/zinc/53/42/02/520534202.db2.gz DALUOMNWOOSSQO-LICLKQGHSA-N -1 1 445.468 4.092 50 30 IIEAMM COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCCCCC(=O)[O-])cc1 ZINC000013372596 525386472 /nfs/dbraw/zinc/38/64/72/525386472.db2.gz UUUDSVSVTKZIPR-QFIPXVFZSA-N -1 1 437.492 4.227 50 30 IIEAMM COc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nccs2)c1 ZINC000008845743 556226916 /nfs/dbraw/zinc/22/69/16/556226916.db2.gz QLQSEHKLEYBYQE-RNODOKPDSA-N -1 1 448.500 4.258 50 30 IIEAMM COc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nccs2)c1 ZINC000008845743 556226920 /nfs/dbraw/zinc/22/69/20/556226920.db2.gz QLQSEHKLEYBYQE-RNODOKPDSA-N -1 1 448.500 4.258 50 30 IIEAMM CSc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccc(F)cc2)s1 ZINC000009014833 556241283 /nfs/dbraw/zinc/24/12/83/556241283.db2.gz QQYRAEHJALHKEE-OAHLLOKOSA-N -1 1 427.482 4.182 50 30 IIEAMM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@H]2c2ccccc2)nc1C ZINC000017160039 556670540 /nfs/dbraw/zinc/67/05/40/556670540.db2.gz YRRUVFJXBRBHDZ-GOSISDBHSA-N -1 1 448.500 4.411 50 30 IIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccccc2)nc1C ZINC000017160039 556670541 /nfs/dbraw/zinc/67/05/41/556670541.db2.gz YRRUVFJXBRBHDZ-GOSISDBHSA-N -1 1 448.500 4.411 50 30 IIEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccccn2)cc1F ZINC000013732457 556720818 /nfs/dbraw/zinc/72/08/18/556720818.db2.gz PBZPYLWCGXXFKM-GOSISDBHSA-N -1 1 439.468 4.086 50 30 IIEAMM C=CCSc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@H]2c2ccc(C)cc2)s1 ZINC000101325217 557273667 /nfs/dbraw/zinc/27/36/67/557273667.db2.gz ANSSWJRJROQRKR-IBOXJLQUSA-N -1 1 439.518 4.344 50 30 IIEAMM C=CCn1c(=O)[nH]c([O-])c(C2=Nc3ccccc3S[C@@H](c3ccccc3OCC)C2)c1=O ZINC000101495223 557289163 /nfs/dbraw/zinc/28/91/63/557289163.db2.gz HJTDZRJHFJOUFP-HXUWFJFHSA-N -1 1 449.532 4.185 50 30 IIEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(C)cc2)s1 ZINC000102584148 557355590 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CCOc1cccc([C@@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2nnc(SC)s2)c1 ZINC000009012618 569496526 /nfs/dbraw/zinc/49/65/26/569496526.db2.gz SSDRWJNQVQXXLK-OAHLLOKOSA-N -1 1 443.506 4.035 50 30 IIEAMM CCOc1ccc([C@@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2cc(C)on2)cc1OC ZINC000009350792 569524848 /nfs/dbraw/zinc/52/48/48/569524848.db2.gz WHKCPDSCRBFEAW-OAQYLSRUSA-N -1 1 434.448 4.173 50 30 IIEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2cc(C)on2)cc1OC ZINC000009350792 569524849 /nfs/dbraw/zinc/52/48/49/569524849.db2.gz WHKCPDSCRBFEAW-OAQYLSRUSA-N -1 1 434.448 4.173 50 30 IIEAMM COc1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C([O-])C(=O)N2c2ccccc2)cc1 ZINC000009414248 569531939 /nfs/dbraw/zinc/53/19/39/569531939.db2.gz SOLKKZUCSLAJGB-OAQYLSRUSA-N -1 1 430.416 4.386 50 30 IIEAMM COc1ccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nnc(SC)s2)cc1 ZINC000009446799 569535920 /nfs/dbraw/zinc/53/59/20/569535920.db2.gz CNMIHFASXYGTHU-INIZCTEOSA-N -1 1 439.518 4.052 50 30 IIEAMM 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CCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2cc(C)on2)cc1OC ZINC000102885318 568621908 /nfs/dbraw/zinc/62/19/08/568621908.db2.gz KUVPVVGFQIARHV-MOBKVPTQSA-N -1 1 448.475 4.325 50 30 IIEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2cccc(O)c2)cc1Cl ZINC000008827797 569477680 /nfs/dbraw/zinc/47/76/80/569477680.db2.gz QUGUGMSPGSZCAG-LJQANCHMSA-N -1 1 440.839 4.134 50 30 IIEAMM CSc1nnc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@H]2c2ccc(F)cc2)s1 ZINC000009109990 569502127 /nfs/dbraw/zinc/50/21/27/569502127.db2.gz ACECJRWMLAFBEY-CYBMUJFWSA-N -1 1 433.511 4.244 50 30 IIEAMM Cc1nc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@H]2c2cccc([N+](=O)[O-])c2)sc1C ZINC000009274942 569518331 /nfs/dbraw/zinc/51/83/31/569518331.db2.gz BELJXUPQKTZKOL-GOSISDBHSA-N -1 1 435.461 4.451 50 30 IIEAMM Cc1nc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2cccc([N+](=O)[O-])c2)sc1C ZINC000009274942 569518332 /nfs/dbraw/zinc/51/83/32/569518332.db2.gz BELJXUPQKTZKOL-GOSISDBHSA-N -1 1 435.461 4.451 50 30 IIEAMM CCCCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(O)c(OCC)c1)C1=C(CCCC1=O)N2 ZINC000009494383 569540938 /nfs/dbraw/zinc/54/09/38/569540938.db2.gz GGRDVUNZAOPSMA-SFHVURJKSA-N -1 1 441.553 4.331 50 30 IIEAMM COc1cccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nnc(SC)s2)c1 ZINC000009541428 569545925 /nfs/dbraw/zinc/54/59/25/569545925.db2.gz KXKQCJRHOHFADG-MRXNPFEDSA-N -1 1 439.518 4.052 50 30 IIEAMM COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCCCCC(=O)[O-])cc1 ZINC000013372597 525219692 /nfs/dbraw/zinc/21/96/92/525219692.db2.gz UUUDSVSVTKZIPR-JOCHJYFZSA-N -1 1 437.492 4.227 50 30 IIEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(C)=O)s3)[C@@H]2c2ccccc2)cc1 ZINC000000702554 555543163 /nfs/dbraw/zinc/54/31/63/555543163.db2.gz NCLSYGZFDKZOQY-LJQANCHMSA-N -1 1 448.500 4.446 50 30 IIEAMM O=C(C1=C([O-])C(=O)N(c2cccnc2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000000860880 555572024 /nfs/dbraw/zinc/57/20/24/555572024.db2.gz WWPQPVJDABGFER-IBGZPJMESA-N -1 1 435.823 4.426 50 30 IIEAMM O=C([O-])CCCCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(O)cc1 ZINC000006460115 556089655 /nfs/dbraw/zinc/08/96/55/556089655.db2.gz IMXDWVTXOICMNE-HXUWFJFHSA-N -1 1 443.883 4.269 50 30 IIEAMM COc1ccc(C(=O)C2C(=O)C(=O)N(CCCCCC(=O)[O-])[C@H]2c2ccc(F)cc2)cc1 ZINC000008925921 556234082 /nfs/dbraw/zinc/23/40/82/556234082.db2.gz JJOLAOPGGHQRQQ-NRFANRHFSA-N -1 1 441.455 4.058 50 30 IIEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nccs3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1F ZINC000026533464 557243475 /nfs/dbraw/zinc/24/34/75/557243475.db2.gz UGBUYVCJJXJSOO-QGZVFWFLSA-N -1 1 439.424 4.282 50 30 IIEAMM C=CCn1c(=O)[nH]c([O-])c(C2=Nc3ccccc3S[C@H](c3ccc(Cl)cc3)C2)c1=O ZINC000101239076 557264655 /nfs/dbraw/zinc/26/46/55/557264655.db2.gz SWDCBVUIBKOSGY-SFHVURJKSA-N -1 1 439.924 4.440 50 30 IIEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nccs3)[C@@H]2c2ccccc2F)cc1 ZINC000101288040 557268309 /nfs/dbraw/zinc/26/83/09/557268309.db2.gz PILJPTYWYSDKLE-LFVOPCPISA-N -1 1 436.464 4.473 50 30 IIEAMM C=CCn1c(=O)[nH]c([O-])c(C2=Nc3ccccc3S[C@@H](c3ccc(OCC)cc3)C2)c1=O ZINC000101766428 557295932 /nfs/dbraw/zinc/29/59/32/557295932.db2.gz VFTPTLHUJUAYAX-HXUWFJFHSA-N -1 1 449.532 4.185 50 30 IIEAMM CCSc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@H]2c2ccc(CC)cc2)s1 ZINC000102598850 557357530 /nfs/dbraw/zinc/35/75/30/557357530.db2.gz GKKAINGIFXYHHE-IBOXJLQUSA-N -1 1 441.534 4.432 50 30 IIEAMM COc1ccccc1[C@@H]1C(C(=O)c2cccs2)=C([O-])C(=O)N1c1nnc(C(C)C)s1 ZINC000102753336 557383451 /nfs/dbraw/zinc/38/34/51/557383451.db2.gz OSSMYYWFZMFKQU-IBOXJLQUSA-N -1 1 441.534 4.358 50 30 IIEAMM COc1ccccc1[C@@H]1C(=C([O-])c2ccc(OC(C)C)cc2)C(=O)C(=O)N1c1cc(C)on1 ZINC000102805484 557386895 /nfs/dbraw/zinc/38/68/95/557386895.db2.gz VSFMRXJNOPKLON-HOGKFDNTSA-N -1 1 448.475 4.405 50 30 IIEAMM COc1ccccc1[C@@H]1C(C(=O)c2ccc(OC(C)C)cc2)=C([O-])C(=O)N1c1cc(C)on1 ZINC000102805484 557386899 /nfs/dbraw/zinc/38/68/99/557386899.db2.gz VSFMRXJNOPKLON-HOGKFDNTSA-N -1 1 448.475 4.405 50 30 IIEAMM COc1cc([C@@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nc(C)c(C)s2)ccc1O ZINC000102798622 557389376 /nfs/dbraw/zinc/38/93/76/557389376.db2.gz CMTBFLNHAJZCBG-GROYHEBESA-N -1 1 442.518 4.162 50 30 IIEAMM COc1cc([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc(C)c(C)s2)ccc1O ZINC000102798622 557389378 /nfs/dbraw/zinc/38/93/78/557389378.db2.gz CMTBFLNHAJZCBG-GROYHEBESA-N -1 1 442.518 4.162 50 30 IIEAMM COc1cccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccc([N+](=O)[O-])cc2)c1 ZINC000102799942 557390147 /nfs/dbraw/zinc/39/01/47/557390147.db2.gz NRUJSZUDFBGJEB-SADKCHQCSA-N -1 1 430.416 4.230 50 30 IIEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2F)s1 ZINC000102802136 557390949 /nfs/dbraw/zinc/39/09/49/557390949.db2.gz AJIAIXRCSUFMMK-UYTDBDHRSA-N -1 1 429.860 4.265 50 30 IIEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccccc2OC)cc1 ZINC000100462927 557404339 /nfs/dbraw/zinc/40/43/39/557404339.db2.gz QRLDVGHUAXZCEK-JBCNATCCSA-N -1 1 434.448 4.017 50 30 IIEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2ccccc2OC)cc1 ZINC000100462927 557404342 /nfs/dbraw/zinc/40/43/42/557404342.db2.gz QRLDVGHUAXZCEK-JBCNATCCSA-N -1 1 434.448 4.017 50 30 IIEAMM COc1cccc([C@@H]2C(=C([O-])c3cc4ccccc4o3)C(=O)C(=O)N2c2cc(C)on2)c1 ZINC000102895199 557406125 /nfs/dbraw/zinc/40/61/25/557406125.db2.gz GHXUIHSOCWJJEG-JBCNATCCSA-N -1 1 430.416 4.364 50 30 IIEAMM COc1cccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2cc(C)on2)c1 ZINC000102895199 557406127 /nfs/dbraw/zinc/40/61/27/557406127.db2.gz GHXUIHSOCWJJEG-JBCNATCCSA-N -1 1 430.416 4.364 50 30 IIEAMM COc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000104148124 557451901 /nfs/dbraw/zinc/45/19/01/557451901.db2.gz IDUPJRVAXOISAH-JBCNATCCSA-N -1 1 430.416 4.230 50 30 IIEAMM CSc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)o3)[C@@H]2c2ccc(C)cc2)s1 ZINC000009540927 562973083 /nfs/dbraw/zinc/97/30/83/562973083.db2.gz KNWRADJWCACUPH-HNNXBMFYSA-N -1 1 427.507 4.253 50 30 IIEAMM C=CCOC(=O)C1=C(C)Nc2nc(SCC(C)C)[n-]c(=O)c2[C@@H]1c1ccc(F)cc1 ZINC000100951256 568803460 /nfs/dbraw/zinc/80/34/60/568803460.db2.gz HZXMYOGIDFLNSG-QGZVFWFLSA-N -1 1 429.517 4.218 50 30 IIEAMM C=CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)C(=O)[N-]C1=S ZINC000009259349 568818265 /nfs/dbraw/zinc/81/82/65/568818265.db2.gz BYWURXWXAQUEJB-DHDCSXOGSA-N -1 1 434.348 4.214 50 30 IIEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)o4)[C@@H]3c3cccnc3)sc2c1 ZINC000027988071 569405299 /nfs/dbraw/zinc/40/52/99/569405299.db2.gz LWFYIVQCIDOKTR-IBGZPJMESA-N -1 1 447.472 4.384 50 30 IIEAMM COc1ccc([C@@H]2c3c(=O)[n-]c(SC(C)C)nc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004150298 569460496 /nfs/dbraw/zinc/46/04/96/569460496.db2.gz FOCHCPWERKKZGY-KRWDZBQOSA-N -1 1 425.554 4.480 50 30 IIEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2cccc(OC)c2)cc1 ZINC000008738451 569472737 /nfs/dbraw/zinc/47/27/37/569472737.db2.gz DFBUIBPTKYLAMI-OAQYLSRUSA-N -1 1 434.448 4.173 50 30 IIEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2cccc(OC)c2)cc1 ZINC000008738451 569472738 /nfs/dbraw/zinc/47/27/38/569472738.db2.gz DFBUIBPTKYLAMI-OAQYLSRUSA-N -1 1 434.448 4.173 50 30 IIEAMM COc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nccs2)cc1 ZINC000008845812 569478901 /nfs/dbraw/zinc/47/89/01/569478901.db2.gz XPEPMRVOQTWOIK-XCLFUZPHSA-N -1 1 448.500 4.258 50 30 IIEAMM COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nccs2)cc1 ZINC000008845812 569478902 /nfs/dbraw/zinc/47/89/02/569478902.db2.gz XPEPMRVOQTWOIK-XCLFUZPHSA-N -1 1 448.500 4.258 50 30 IIEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2cccc([N+](=O)[O-])c2)no1 ZINC000008996769 569495919 /nfs/dbraw/zinc/49/59/19/569495919.db2.gz WSTSGIGACVNTSC-FQEVSTJZSA-N -1 1 445.387 4.420 50 30 IIEAMM CSc1nnc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@@H]2c2ccc(F)cc2)s1 ZINC000009108669 569501902 /nfs/dbraw/zinc/50/19/02/569501902.db2.gz ACECJRWMLAFBEY-ZDUSSCGKSA-N -1 1 433.511 4.244 50 30 IIEAMM COc1cc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2cccc([N+](=O)[O-])c2)ccc1O ZINC000009370558 569526842 /nfs/dbraw/zinc/52/68/42/569526842.db2.gz NBRMJHJNSBUKRI-OAQYLSRUSA-N -1 1 446.415 4.092 50 30 IIEAMM O=C(C1=C([O-])C(=O)N(c2ccccc2)[C@@H]1c1ccccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000009436830 569534899 /nfs/dbraw/zinc/53/48/99/569534899.db2.gz VLEQENWTEONWLD-HXUWFJFHSA-N -1 1 445.387 4.286 50 30 IIEAMM CNC(=O)c1ccc(/C=C/C(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000012521386 521794577 /nfs/dbraw/zinc/79/45/77/521794577.db2.gz ZFBQLARXHSAPOZ-FRKPEAEDSA-N -1 1 434.517 4.052 50 30 IIEAMM CC[C@@H](C)Sc1nc2c(c(=O)[n-]1)[C@H](c1ccc(C(=O)OC)cc1)C1=C(CCCC1=O)N2 ZINC000001118083 555635581 /nfs/dbraw/zinc/63/55/81/555635581.db2.gz URIYSWFVUXATIM-SJKOYZFVSA-N -1 1 439.537 4.012 50 30 IIEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@@H]2c2ccccc2)nc1C ZINC000008742948 556207557 /nfs/dbraw/zinc/20/75/57/556207557.db2.gz PKAZIAHPLWQDEA-KRWDZBQOSA-N -1 1 434.473 4.021 50 30 IIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2)nc1C ZINC000008742948 556207562 /nfs/dbraw/zinc/20/75/62/556207562.db2.gz PKAZIAHPLWQDEA-KRWDZBQOSA-N -1 1 434.473 4.021 50 30 IIEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(C)s3)[C@H]2c2ccccc2F)cc1 ZINC000008904697 556231622 /nfs/dbraw/zinc/23/16/22/556231622.db2.gz OIMBVRRGQOVULS-SFHVURJKSA-N -1 1 439.468 4.167 50 30 IIEAMM O=C1C(=O)N(c2cccnc2)[C@H](c2ccc(Br)cc2)C1=C([O-])c1ccccc1 ZINC000101069969 557223709 /nfs/dbraw/zinc/22/37/09/557223709.db2.gz BKVRMYAMJJNODT-LFVOPCPISA-N -1 1 435.277 4.470 50 30 IIEAMM O=C(C1=C([O-])C(=O)N(c2cccnc2)[C@@H]1c1ccc(Br)cc1)c1ccccc1 ZINC000101069969 557223710 /nfs/dbraw/zinc/22/37/10/557223710.db2.gz BKVRMYAMJJNODT-LFVOPCPISA-N -1 1 435.277 4.470 50 30 IIEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2cccc(Br)c2)no1 ZINC000101101624 557255668 /nfs/dbraw/zinc/25/56/68/557255668.db2.gz XSTIFXQJQKDGJX-SELCWUDQSA-N -1 1 439.265 4.372 50 30 IIEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2cc(C)on2)cc1 ZINC000101293975 557269553 /nfs/dbraw/zinc/26/95/53/557269553.db2.gz PJXOLTKUXISACD-MRJHHRETSA-N -1 1 434.423 4.313 50 30 IIEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2cc(C)on2)cc1 ZINC000101293973 557269603 /nfs/dbraw/zinc/26/96/03/557269603.db2.gz PJXOLTKUXISACD-JBCNATCCSA-N -1 1 434.423 4.313 50 30 IIEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nccs4)[C@H]3c3ccc(F)cc3)ccc2O1 ZINC000102553754 557358636 /nfs/dbraw/zinc/35/86/36/557358636.db2.gz PADMGSHDVBSMCQ-QJGVGSKSSA-N -1 1 436.464 4.232 50 30 IIEAMM CCCOc1ccc([C@H]2C(=C([O-])c3cccc(OC)c3)C(=O)C(=O)N2c2cc(C)on2)cc1 ZINC000102559599 557359009 /nfs/dbraw/zinc/35/90/09/557359009.db2.gz YMYMBBXEWVXVJP-MOBKVPTQSA-N -1 1 448.475 4.407 50 30 IIEAMM CCCOc1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C([O-])C(=O)N2c2cc(C)on2)cc1 ZINC000102559599 557359011 /nfs/dbraw/zinc/35/90/11/557359011.db2.gz YMYMBBXEWVXVJP-MOBKVPTQSA-N -1 1 448.475 4.407 50 30 IIEAMM COc1cccc([C@H]2C(=C([O-])c3ccc(OC(C)C)cc3)C(=O)C(=O)N2c2cc(C)on2)c1 ZINC000102703172 557366067 /nfs/dbraw/zinc/36/60/67/557366067.db2.gz GICPOCHFAORKRY-MOBKVPTQSA-N -1 1 448.475 4.405 50 30 IIEAMM COc1cccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C([O-])C(=O)N2c2cc(C)on2)c1 ZINC000102703172 557366068 /nfs/dbraw/zinc/36/60/68/557366068.db2.gz GICPOCHFAORKRY-MOBKVPTQSA-N -1 1 448.475 4.405 50 30 IIEAMM COc1cccc([C@@H]2C(=C([O-])c3ccc(OC(C)C)cc3)C(=O)C(=O)N2c2cc(C)on2)c1 ZINC000102703169 557366083 /nfs/dbraw/zinc/36/60/83/557366083.db2.gz GICPOCHFAORKRY-HOGKFDNTSA-N -1 1 448.475 4.405 50 30 IIEAMM COc1cccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C([O-])C(=O)N2c2cc(C)on2)c1 ZINC000102703169 557366085 /nfs/dbraw/zinc/36/60/85/557366085.db2.gz GICPOCHFAORKRY-HOGKFDNTSA-N -1 1 448.475 4.405 50 30 IIEAMM O=C1C(=O)N(c2ccccn2)[C@H](c2ccc(Br)cc2)C1=C([O-])c1ccccc1 ZINC000100439947 557403390 /nfs/dbraw/zinc/40/33/90/557403390.db2.gz WQPWZAHAWXTLGF-LFVOPCPISA-N -1 1 435.277 4.470 50 30 IIEAMM O=C(C1=C([O-])C(=O)N(c2ccccn2)[C@@H]1c1ccc(Br)cc1)c1ccccc1 ZINC000100439947 557403392 /nfs/dbraw/zinc/40/33/92/557403392.db2.gz WQPWZAHAWXTLGF-LFVOPCPISA-N -1 1 435.277 4.470 50 30 IIEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccc(O)cc2)cc1 ZINC000102878995 557407521 /nfs/dbraw/zinc/40/75/21/557407521.db2.gz GPGARVZLKAFHHX-LFVOPCPISA-N -1 1 436.489 4.100 50 30 IIEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccc(OC)cc3)[C@@H]2c2ccccc2F)cc1 ZINC000104130677 557451154 /nfs/dbraw/zinc/45/11/54/557451154.db2.gz VVORCNUQDVOYEZ-HOGKFDNTSA-N -1 1 433.435 4.469 50 30 IIEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2cc(C)on2)cc1OC ZINC000009360438 562969640 /nfs/dbraw/zinc/96/96/40/562969640.db2.gz BBYYBKZUNWZEDW-HXUWFJFHSA-N -1 1 438.436 4.075 50 30 IIEAMM CCOc1ccc([C@@H]2C(=C([O-])c3cccc(OC)c3)C(=O)C(=O)N2c2cc(C)on2)cc1 ZINC000102803559 568621577 /nfs/dbraw/zinc/62/15/77/568621577.db2.gz AMPRPJXXVSZOCH-JBCNATCCSA-N -1 1 434.448 4.017 50 30 IIEAMM CCOc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C([O-])C(=O)N2c2cc(C)on2)cc1 ZINC000102803559 568621578 /nfs/dbraw/zinc/62/15/78/568621578.db2.gz AMPRPJXXVSZOCH-JBCNATCCSA-N -1 1 434.448 4.017 50 30 IIEAMM O=C(c1cccs1)C1=C([O-])C(=O)N(c2nncs2)[C@@H]1c1cccc(Br)c1 ZINC000000934478 568638706 /nfs/dbraw/zinc/63/87/06/568638706.db2.gz CXOIVPUIRGLDEC-CYBMUJFWSA-N -1 1 448.323 4.145 50 30 IIEAMM C=CCOC(=O)C1=C(C)Nc2nc(SCCCC)[n-]c(=O)c2[C@@H]1c1cccc(F)c1 ZINC000100951269 568803770 /nfs/dbraw/zinc/80/37/70/568803770.db2.gz IFNALJUZBPOANW-QGZVFWFLSA-N -1 1 429.517 4.362 50 30 IIEAMM CCOc1cc(C=NNc2nc(C)cc(=O)[n-]2)ccc1OCc1c(F)cccc1Cl ZINC000006143448 568845583 /nfs/dbraw/zinc/84/55/83/568845583.db2.gz BAQQTQQPQGAJJA-BHGWPJFGSA-N -1 1 430.867 4.295 50 30 IIEAMM CCOC(=O)c1c(NC(=O)C([O-])=CC(=O)c2ccc(OC)cc2)sc2c1CCCC2 ZINC000020156412 569353745 /nfs/dbraw/zinc/35/37/45/569353745.db2.gz HBEJNMIGXUJBLG-ATVHPVEESA-N -1 1 429.494 4.076 50 30 IIEAMM O=C(C1=C([O-])C(=O)N(c2ccccn2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000009763871 569566682 /nfs/dbraw/zinc/56/66/82/569566682.db2.gz BOVOSWFKSVKQMJ-LJQANCHMSA-N -1 1 435.823 4.426 50 30 IIEAMM