smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC(CC)NC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(OC)cc2)c1 ZINC000224062877 206011383 /nfs/dbraw/zinc/01/13/83/206011383.db2.gz GLLHQSRSZAUJNI-UHFFFAOYSA-N -1 3 390.505 3.723 40 0 GHABHM CCC[C@@H](C)NC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(OC)cc2)c1 ZINC000224061290 206012167 /nfs/dbraw/zinc/01/21/67/206012167.db2.gz SKAUCUURCURSOF-OAHLLOKOSA-N -1 3 390.505 3.723 40 0 GHABHM COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NCCC(C)C)ccc2C)cc1 ZINC000224061215 206012558 /nfs/dbraw/zinc/01/25/58/206012558.db2.gz YVTRNENMBQLFHF-UHFFFAOYSA-N -1 3 390.505 3.580 40 0 GHABHM Cn1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1cc(Cl)ccc1[O-] ZINC000224875706 206028465 /nfs/dbraw/zinc/02/84/65/206028465.db2.gz RHNFQHPGQVDJOP-ZWKOTPCHSA-N -1 3 384.892 3.956 40 0 GHABHM CSc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1NC(=O)C(C)C ZINC000225724804 206071289 /nfs/dbraw/zinc/07/12/89/206071289.db2.gz MBZZWORLUJVDKE-UHFFFAOYSA-N -1 3 382.482 3.943 40 0 GHABHM CC(C)CNC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000408582129 528050329 /nfs/dbraw/zinc/05/03/29/528050329.db2.gz BOGNTNUCMMNBAN-UHFFFAOYSA-N -1 3 381.885 3.918 40 0 GHABHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(C)C)cc2)cc1NC(C)=O ZINC000408558660 528587385 /nfs/dbraw/zinc/58/73/85/528587385.db2.gz SLMXSBKTAFZSKL-UHFFFAOYSA-N -1 3 376.478 3.968 40 0 GHABHM CCN(C(=O)CSc1nnc(-c2ccccc2[O-])n1CC)c1ccccc1 ZINC000409411940 528966866 /nfs/dbraw/zinc/96/68/66/528966866.db2.gz NYWUQAZUXMWKGG-UHFFFAOYSA-N -1 3 382.489 3.816 40 0 GHABHM CSc1cccc(NC(=O)Cc2cnc(-c3ccc(Cl)cc3)[n-]c2=O)c1 ZINC000019937652 570231934 /nfs/dbraw/zinc/23/19/34/570231934.db2.gz HBJFDYKZOFPFCW-UHFFFAOYSA-N -1 3 385.876 3.993 40 0 GHABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC(C)(C)C)cc2Cl)cc1 ZINC000020047276 570237712 /nfs/dbraw/zinc/23/77/12/570237712.db2.gz NOSQLQCDCFKWTI-UHFFFAOYSA-N -1 3 380.897 3.978 40 0 GHABHM Cc1cc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2)ccc1N1CCCC1=O ZINC000020106261 570240069 /nfs/dbraw/zinc/24/00/69/570240069.db2.gz ABCKDPBGSDVSRN-UHFFFAOYSA-N -1 3 388.489 3.710 40 0 GHABHM CS(=O)(=O)[N-]c1ccc(C(=O)N[C@@H]2CCCc3ccccc32)c(Cl)c1 ZINC000020461885 570260600 /nfs/dbraw/zinc/26/06/00/570260600.db2.gz WKCFGQJVGYPXQB-QGZVFWFLSA-N -1 3 378.881 3.519 40 0 GHABHM Cc1ccccc1[C@H](NC(=O)c1ccc([N-]S(C)(=O)=O)cc1)c1ccccc1 ZINC000020462056 570261063 /nfs/dbraw/zinc/26/10/63/570261063.db2.gz MWBQKGCHKJFEET-OAQYLSRUSA-N -1 3 394.496 3.886 40 0 GHABHM CC(C)[C@H](NCc1ccc(F)cc1)c1cc(=O)n2[n-]c(C3CCOCC3)cc2n1 ZINC000100769448 570277504 /nfs/dbraw/zinc/27/75/04/570277504.db2.gz GWTUNJIXEYWSKI-QFIPXVFZSA-N -1 3 398.482 3.955 40 0 GHABHM CS(=O)(=O)[N-]c1ccc(C(=O)NCc2cccc3ccccc32)c(Cl)c1 ZINC000222871128 570429613 /nfs/dbraw/zinc/42/96/13/570429613.db2.gz GKAOMVUJMLCAJD-UHFFFAOYSA-N -1 3 388.876 3.795 40 0 GHABHM COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2F)cc1F ZINC000032586104 570643463 /nfs/dbraw/zinc/64/34/63/570643463.db2.gz YMELVZBBLTYZTO-UHFFFAOYSA-N -1 3 378.194 3.537 40 0 GHABHM O=C(Cc1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000005736358 570734461 /nfs/dbraw/zinc/73/44/61/570734461.db2.gz LRAHTUJEDXYNSW-UHFFFAOYSA-N -1 3 384.432 3.808 40 0 GHABHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CCCc2ccccc21 ZINC000007376003 570758187 /nfs/dbraw/zinc/75/81/87/570758187.db2.gz YXWKQOOYPUPMMO-OAHLLOKOSA-N -1 3 396.306 3.814 40 0 GHABHM O=C([N-][C@@H]1c2ccccc2[C@@H]2CN(Cc3cc(F)ccc3F)C[C@@H]21)C(F)F ZINC000585109630 570937982 /nfs/dbraw/zinc/93/79/82/570937982.db2.gz GRGVZUSNDCJXAK-XYJFISCASA-N -1 3 378.369 3.616 40 0 GHABHM O=c1cc(C[C@H](NCc2ccncc2)c2ccc(F)cc2)nc(C2CCC2)[n-]1 ZINC000019332481 570975628 /nfs/dbraw/zinc/97/56/28/570975628.db2.gz RIEQZGPFWQZDAJ-FQEVSTJZSA-N -1 3 378.451 3.645 40 0 GHABHM Cc1ccc(C)c(NC(=O)CSc2n[n-]c(COc3ccccc3F)n2)c1 ZINC000408526907 231049865 /nfs/dbraw/zinc/04/98/65/231049865.db2.gz HXRQEDZBTCBMIK-UHFFFAOYSA-N -1 3 386.452 3.870 40 0 GHABHM CCn1c(SCC(=O)Nc2cccc(C(C)=O)c2)nnc1-c1ccccc1[O-] ZINC000409411958 231202613 /nfs/dbraw/zinc/20/26/13/231202613.db2.gz OJXKWOPDWCJYNB-UHFFFAOYSA-N -1 3 396.472 3.604 40 0 GHABHM O=C1CCc2cc(S(=O)(=O)[N-]c3ccc(Oc4cccnc4)cc3)ccc2N1 ZINC000012143859 204375480 /nfs/dbraw/zinc/37/54/80/204375480.db2.gz AIYDZKWHEKBPBD-UHFFFAOYSA-N -1 3 395.440 3.559 40 0 GHABHM CCc1nnc([N-]c2cccc([C@H]3CN(CCc4ccccc4)CCO3)n2)s1 ZINC000257219527 206161010 /nfs/dbraw/zinc/16/10/10/206161010.db2.gz DHCINUBVPUIVAR-GOSISDBHSA-N -1 3 395.532 3.855 40 0 GHABHM C[C@@H]1CC[C@@H]2C(C)(C)[C@H](O)CC[C@@]2(C)[C@@]12Cc1c(c3c(cc1[O-])C(=O)NC3)O2 ZINC000256630948 206150589 /nfs/dbraw/zinc/15/05/89/206150589.db2.gz ZSVLMDBFFSSVAK-HYGHBVGOSA-N -1 3 385.504 3.543 40 0 biogenic,in-vitro GHABHM O=C([O-])c1ccccc1-c1ccc(CN2CCC[C@H]2c2cc(CO)[nH]n2)cc1 ZINC000257280891 206171145 /nfs/dbraw/zinc/17/11/45/206171145.db2.gz OMVIJHAXTFBTNW-NRFANRHFSA-N -1 3 377.444 3.604 40 0 GHABHM Cn1ccnc1C[C@@H]1CCCN(Cc2ccc(-c3ccccc3C(=O)[O-])o2)C1 ZINC000257275923 206171534 /nfs/dbraw/zinc/17/15/34/206171534.db2.gz NROJIRWDXXJZNF-INIZCTEOSA-N -1 3 379.460 3.833 40 0 GHABHM C[C@@H]1CC[C@@H]2[C@@H](C1)c1c([O-])c(C(=O)N3CCC(CO)CC3)ccc1OC2(C)C ZINC000257238998 206164094 /nfs/dbraw/zinc/16/40/94/206164094.db2.gz HNMRFFHSPMIGPQ-ZTFGCOKTSA-N -1 3 387.520 3.928 40 0 GHABHM COC(=O)c1ccccc1-c1ccc(/C=C2/[N-]C(=O)N(c3ccccc3)C2=O)o1 ZINC000409015708 534285881 /nfs/dbraw/zinc/28/58/81/534285881.db2.gz RWKAZEWEZFHETK-QGOAFFKASA-N -1 3 388.379 3.831 40 0 GHABHM O=C([O-])[C@H](Cc1ccc(Cl)c(Cl)c1)N1CCN(c2ccccc2)CC1 ZINC000225146356 534527491 /nfs/dbraw/zinc/52/74/91/534527491.db2.gz ZKKWENPPIGGLNE-SFHVURJKSA-N -1 3 379.287 3.811 40 0 GHABHM CC(C)Oc1cccc(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)c1 ZINC000020107647 570239986 /nfs/dbraw/zinc/23/99/86/570239986.db2.gz NJIUOADCYPXZJV-UHFFFAOYSA-N -1 3 382.869 3.751 40 0 GHABHM CCc1c([O-])nc(SCC(=O)Nc2ccc(C)cc2)n(-c2ccccc2)c1=O ZINC000001089450 570241597 /nfs/dbraw/zinc/24/15/97/570241597.db2.gz LLSZEZFIRXITRT-KRWDZBQOSA-N -1 3 395.484 3.622 40 0 GHABHM CC(C)Oc1cccc(NC(=O)c2cc([N-]S(C)(=O)=O)ccc2Cl)c1 ZINC000022512871 570318892 /nfs/dbraw/zinc/31/88/92/570318892.db2.gz LLRQXCSJCILURG-UHFFFAOYSA-N -1 3 382.869 3.751 40 0 GHABHM Cc1ccccc1NC(=O)[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000006861125 570382061 /nfs/dbraw/zinc/38/20/61/570382061.db2.gz YDZWELQSVSQLQG-NSHDSACASA-N -1 3 387.288 3.607 40 0 GHABHM CCc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccco2)cc1 ZINC000101178761 570433206 /nfs/dbraw/zinc/43/32/06/570433206.db2.gz MBEIPAAIJONRMZ-ACRUOGEOSA-N -1 3 388.423 3.893 40 0 GHABHM CC(C)c1ccc(-c2noc(C[N-]S(=O)(=O)c3ccc(Cl)cc3)n2)cc1 ZINC000223580007 570472293 /nfs/dbraw/zinc/47/22/93/570472293.db2.gz PXQDFVVNJBCORS-UHFFFAOYSA-N -1 3 391.880 3.992 40 0 GHABHM COc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccccc2[O-])o1 ZINC000000970944 570545489 /nfs/dbraw/zinc/54/54/89/570545489.db2.gz HVSIMYIKDWWJSM-UHFFFAOYSA-N -1 3 391.836 3.835 40 0 GHABHM O=C(CSc1nnc([N-]C(=O)c2ccco2)s1)Nc1ccccc1Cl ZINC000015935333 570908944 /nfs/dbraw/zinc/90/89/44/570908944.db2.gz QJWLCEHKJOPTCK-UHFFFAOYSA-N -1 3 394.865 3.768 40 0 GHABHM COc1ccc(C)cc1CN1CCC[C@@H]1c1nc(-c2ccccn2)cc(=O)[n-]1 ZINC000019133486 570958546 /nfs/dbraw/zinc/95/85/46/570958546.db2.gz QXNFWICIWBSPDX-LJQANCHMSA-N -1 3 376.460 3.898 40 0 GHABHM O=C(NCc1ccccc1)N1CCC(c2nc(-c3ccsc3)cc(=O)[n-]2)CC1 ZINC000019372681 570980991 /nfs/dbraw/zinc/98/09/91/570980991.db2.gz XWAXZSUZBGVVEE-UHFFFAOYSA-N -1 3 394.500 3.588 40 0 GHABHM CCOc1ccc(CN2CCCC[C@@H]2c2cc(=O)[n-]c(-c3ccncc3)n2)cc1 ZINC000019533269 570999845 /nfs/dbraw/zinc/99/98/45/570999845.db2.gz AQZNOPHEFIWMCT-OAQYLSRUSA-N -1 3 390.487 3.958 40 0 GHABHM COc1ccc(CN2CCCC[C@@H]2c2cc(=O)[n-]c(-c3cccnc3)n2)cc1 ZINC000019555284 571003026 /nfs/dbraw/zinc/00/30/26/571003026.db2.gz COXQSZRFGKYBDL-HXUWFJFHSA-N -1 3 376.460 3.568 40 0 GHABHM COc1ccc(Cc2cnc(NC(=O)c3cc(C(F)(F)F)n[n-]3)s2)cc1 ZINC000019555957 571003622 /nfs/dbraw/zinc/00/36/22/571003622.db2.gz RLKDSXGLNCXCQL-UHFFFAOYSA-N -1 3 382.367 3.737 40 0 GHABHM COc1ccc(Cc2cnc(NC(=O)c3cc(C(F)(F)F)[n-]n3)s2)cc1 ZINC000019555957 571003626 /nfs/dbraw/zinc/00/36/26/571003626.db2.gz RLKDSXGLNCXCQL-UHFFFAOYSA-N -1 3 382.367 3.737 40 0 GHABHM COc1cccc(CN2CCCC[C@H]2c2cc(=O)[n-]c(-c3ccccn3)n2)c1 ZINC000019565224 571007678 /nfs/dbraw/zinc/00/76/78/571007678.db2.gz KDBHYXYYMMXAKC-FQEVSTJZSA-N -1 3 376.460 3.980 40 0 GHABHM Cc1nc([C@H]2CCCN2C(=O)[C@H]2CC=CCC2)[n-]c(=O)c1Cc1ccccc1 ZINC000019579174 571012643 /nfs/dbraw/zinc/01/26/43/571012643.db2.gz JXTWTRFSKZJMIR-AZUAARDMSA-N -1 3 377.488 3.689 40 0 GHABHM COCc1cc(=O)[n-]c([C@H]2CCCN(Cc3cccc(Cl)c3Cl)C2)n1 ZINC000019594316 571020398 /nfs/dbraw/zinc/02/03/98/571020398.db2.gz ZDQYBUMKYKFUBX-ZDUSSCGKSA-N -1 3 382.291 3.603 40 0 GHABHM Cc1cc(C)cc(OCC(=O)N2NC3=C(CCCCC3)[C@@]2([O-])C(F)(F)F)c1 ZINC000408949747 231134397 /nfs/dbraw/zinc/13/43/97/231134397.db2.gz FZBBYHNEKBPJCP-MAUKXSAKSA-N -1 3 384.398 3.712 40 0 GHABHM O=C(C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)Nc1cccc(Cl)c1 ZINC000409149514 231172075 /nfs/dbraw/zinc/17/20/75/231172075.db2.gz IOASQHLRZRLGPO-UHFFFAOYSA-N -1 3 393.679 3.564 40 0 GHABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(I)cc2)c(C)c1 ZINC000005598788 204141444 /nfs/dbraw/zinc/14/14/44/204141444.db2.gz NRLBJYHVTZIVJH-UHFFFAOYSA-N -1 3 387.242 3.709 40 0 GHABHM COc1ccc(S(=O)(=O)[N-]c2ccc(C(C)C)cc2)cc1C(=O)NC(C)C ZINC000010008971 204329099 /nfs/dbraw/zinc/32/90/99/204329099.db2.gz DTROADYITOJNJH-UHFFFAOYSA-N -1 3 390.505 3.758 40 0 GHABHM O=c1cc(C2CCN(Cc3c(F)cccc3F)CC2)nc(-c2cccnc2)[n-]1 ZINC000072392772 205342339 /nfs/dbraw/zinc/34/23/39/205342339.db2.gz WZTFICRGELJURN-UHFFFAOYSA-N -1 3 382.414 3.902 40 0 GHABHM Cc1cc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c(C)s2)no1 ZINC000006680198 205781462 /nfs/dbraw/zinc/78/14/62/205781462.db2.gz PYRHWHAUTGRBIG-UHFFFAOYSA-N -1 3 395.437 3.545 40 0 GHABHM COc1ccc(Cl)cc1S(=O)(=O)[N-]CCSCc1ccccc1F ZINC000223503680 206001565 /nfs/dbraw/zinc/00/15/65/206001565.db2.gz NEKRHLJCMUOPIM-UHFFFAOYSA-N -1 3 389.901 3.699 40 0 GHABHM Cc1cc(C(=O)N2CCC[C@@H]2c2ncc(Cc3cccc(Cl)c3)o2)[n-]c(=O)n1 ZINC000257218743 206161384 /nfs/dbraw/zinc/16/13/84/206161384.db2.gz DEGVHETYNGGELW-QGZVFWFLSA-N -1 3 398.850 3.700 40 0 GHABHM O=C1[C@H]2C(=C([O-])N1c1ccccc1)ON(c1ccc(Cl)cc1)[C@@H]2c1ccco1 ZINC000100563670 570273252 /nfs/dbraw/zinc/27/32/52/570273252.db2.gz CWZHOIMVEOWUSX-QRVBRYPASA-N -1 3 394.814 3.984 40 0 GHABHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(Cl)c2)cc1OCC ZINC000007927782 570432487 /nfs/dbraw/zinc/43/24/87/570432487.db2.gz OVQKPVARFHORNZ-UHFFFAOYSA-N -1 3 385.869 3.947 40 0 GHABHM CNC(=O)/C=C/c1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)cc1 ZINC000223289155 570456270 /nfs/dbraw/zinc/45/62/70/570456270.db2.gz OOZZWTZHAIKGJS-RUDMXATFSA-N -1 3 385.272 3.553 40 0 GHABHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@H]1CCCc2ccccc21 ZINC000007376004 570758335 /nfs/dbraw/zinc/75/83/35/570758335.db2.gz YXWKQOOYPUPMMO-HNNXBMFYSA-N -1 3 396.306 3.814 40 0 GHABHM O=c1cc(-c2ccc3ccccc3c2)nc(N2CCN(Cc3ccccc3)CC2)[n-]1 ZINC000013639809 570863118 /nfs/dbraw/zinc/86/31/18/570863118.db2.gz VGAYDHHHEOUTAB-UHFFFAOYSA-N -1 3 396.494 3.912 40 0 GHABHM Cc1cccc(CC(=O)N2CCC[C@H](c3nc(-c4ccsc4)cc(=O)[n-]3)C2)c1 ZINC000019234688 570965124 /nfs/dbraw/zinc/96/51/24/570965124.db2.gz GTNDBMWAOOSQSR-KRWDZBQOSA-N -1 3 393.512 3.756 40 0 GHABHM O=C(COc1ccccc1)N1CCCC[C@H]1c1nc(-c2ccsc2)cc(=O)[n-]1 ZINC000019373450 570981525 /nfs/dbraw/zinc/98/15/25/570981525.db2.gz CRNFKOFSBVCWMH-SFHVURJKSA-N -1 3 395.484 3.631 40 0 GHABHM Cc1ccc(NC(=O)CSc2n[n-]c(COc3ccccc3F)n2)cc1C ZINC000409387173 231199680 /nfs/dbraw/zinc/19/96/80/231199680.db2.gz ZYZSUPFPWAIYBW-UHFFFAOYSA-N -1 3 386.452 3.870 40 0 GHABHM CSc1ccccc1NC(=O)Cc1cnc(-c2ccc(Cl)cc2)[n-]c1=O ZINC000019937695 204695189 /nfs/dbraw/zinc/69/51/89/204695189.db2.gz HISWPNHOGGRONI-UHFFFAOYSA-N -1 3 385.876 3.993 40 0 GHABHM O=C(c1ccc(Cl)cc1)N1CCC[C@H]1c1ccnc([N-]c2cnccn2)n1 ZINC000072377547 205339381 /nfs/dbraw/zinc/33/93/81/205339381.db2.gz XITXDTALGAPOKQ-INIZCTEOSA-N -1 3 380.839 3.641 40 0 GHABHM CCOC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OC)c(C)c2C)c1C ZINC000224559761 206023503 /nfs/dbraw/zinc/02/35/03/206023503.db2.gz JKYSTUWZOLJHOL-UHFFFAOYSA-N -1 3 377.462 3.598 40 0 GHABHM COc1ccc(Br)cc1S(=O)(=O)[N-]C(C)(C)Cc1ccccc1 ZINC000144417706 206025649 /nfs/dbraw/zinc/02/56/49/206025649.db2.gz QLSKZQCIAFMERG-UHFFFAOYSA-N -1 3 398.322 3.757 40 0 GHABHM Cc1noc(C)c1-c1cccc(C[C@@H]2CCN(C(=O)c3ccc([O-])cc3)C2)n1 ZINC000257262006 206168291 /nfs/dbraw/zinc/16/82/91/206168291.db2.gz LJQRAOYFECMUAA-INIZCTEOSA-N -1 3 377.444 3.764 40 0 GHABHM O=C([O-])[C@H](Cc1ccc(Cl)cc1Cl)N1CCN(c2ccccc2)CC1 ZINC000225146073 534527118 /nfs/dbraw/zinc/52/71/18/534527118.db2.gz TUFJJXRGLFHQRE-SFHVURJKSA-N -1 3 379.287 3.811 40 0 GHABHM CCOC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(C)cc2C)ccc1OC ZINC000408588802 529107131 /nfs/dbraw/zinc/10/71/31/529107131.db2.gz ZBPSPBCRAXNPEF-UHFFFAOYSA-N -1 3 378.450 3.681 40 0 GHABHM O=C1[C@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@@H]2c1cccs1 ZINC000101996592 570286446 /nfs/dbraw/zinc/28/64/46/570286446.db2.gz CTKZRGNTAQNXDM-QRVBRYPASA-N -1 3 376.437 3.799 40 0 GHABHM Cn1c(SCC(=O)NC2CCCCC2)nnc1-c1cc2ccccc2cc1[O-] ZINC000000896649 570513279 /nfs/dbraw/zinc/51/32/79/570513279.db2.gz MFIZRSACDOLWBN-UHFFFAOYSA-N -1 3 396.516 3.882 40 0 GHABHM Cc1ccccc1NC(=O)CSc1nnc([N-]C(=O)c2cccs2)s1 ZINC000007388296 570677500 /nfs/dbraw/zinc/67/75/00/570677500.db2.gz PMWHQVFWPATPAR-UHFFFAOYSA-N -1 3 390.515 3.891 40 0 GHABHM COc1ccc(CN2CCc3nc4cc(C)[n-]n4c(=O)c3CC2)c2ccccc12 ZINC000019130225 570958271 /nfs/dbraw/zinc/95/82/71/570958271.db2.gz LISWKPCTEPFWIX-UHFFFAOYSA-N -1 3 388.471 3.506 40 0 GHABHM COCCn1c(-c2ccc([O-])c(C(N)=O)c2)cs/c1=N/c1cc(C)cc(C)c1 ZINC000105756447 855139617 /nfs/dbraw/zinc/13/96/17/855139617.db2.gz POSRJOKQEIDOIV-XTQSDGFTSA-N -1 3 397.500 3.517 40 0 GHABHM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OC)c(C(C)C)c2)c1C ZINC000007360552 856393229 /nfs/dbraw/zinc/39/32/29/856393229.db2.gz UBEWFLDSRBWSGV-UHFFFAOYSA-N -1 3 377.462 3.714 40 0 GHABHM Cc1ccc(C)c(NC(=O)C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000008369929 856401949 /nfs/dbraw/zinc/40/19/49/856401949.db2.gz WENDYUWNWNDOKE-UHFFFAOYSA-N -1 3 387.288 3.527 40 0 GHABHM COc1ccccc1[C@@H]1CC(=O)c2c[n-]c3nn(-c4ccccc4)c(=O)c-3c2C1 ZINC000014163916 230887853 /nfs/dbraw/zinc/88/78/53/230887853.db2.gz XWGRCJNQOPVJLE-AWEZNQCLSA-N -1 3 385.423 3.635 40 0 GHABHM O=C(CSc1n[n-]c(COc2ccccc2F)n1)N1CCCc2ccccc21 ZINC000408547407 231056075 /nfs/dbraw/zinc/05/60/75/231056075.db2.gz WJNAJBAZEVASCL-UHFFFAOYSA-N -1 3 398.463 3.594 40 0 GHABHM CCc1ccccc1NC(=O)CSc1nnc(-c2ccccc2[O-])n1CC ZINC000409412439 529595549 /nfs/dbraw/zinc/59/55/49/529595549.db2.gz WTXDRNPNJRKQMT-UHFFFAOYSA-N -1 3 382.489 3.964 40 0 GHABHM COc1ccc(CN2CCC(c3nc(-c4cccnc4)cc(=O)[n-]3)CC2)c(F)c1 ZINC000012234363 204386185 /nfs/dbraw/zinc/38/61/85/204386185.db2.gz UVJOPSPPIRQAMX-UHFFFAOYSA-N -1 3 394.450 3.772 40 0 GHABHM Cc1cc(C(=O)Nc2ccc3c4c(cccc42)CC3)ccc1[N-]S(C)(=O)=O ZINC000224088231 206012563 /nfs/dbraw/zinc/01/25/63/206012563.db2.gz CHKPSRZSCNEKIC-UHFFFAOYSA-N -1 3 380.469 3.871 40 0 GHABHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc2c(c1)sc(=O)n2C(C)C ZINC000225183351 206040704 /nfs/dbraw/zinc/04/07/04/206040704.db2.gz DMTKVVJMBACRKF-UHFFFAOYSA-N -1 3 380.466 3.892 40 0 GHABHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C)c(N3CCCC3=O)c2)c(C)c1 ZINC000225502048 206053151 /nfs/dbraw/zinc/05/31/51/206053151.db2.gz XSROHHPNFMHNBI-UHFFFAOYSA-N -1 3 388.489 3.548 40 0 GHABHM Cc1cc2nc(C[C@H](c3nc4cc(C)cc(C)c4[nH]3)S(=O)(=O)[O-])[nH]c2c(C)c1 ZINC000255187855 206151325 /nfs/dbraw/zinc/15/13/25/206151325.db2.gz HEOZVUWVMAQUJI-MRXNPFEDSA-N -1 3 398.488 3.844 40 0 GHABHM O=C([O-])CN(Cc1cccc(F)c1F)C1CCN(c2cccc(F)c2)CC1 ZINC000257303004 206175861 /nfs/dbraw/zinc/17/58/61/206175861.db2.gz SFJZUADTRHAHIO-UHFFFAOYSA-N -1 3 378.394 3.660 40 0 GHABHM CCC(=O)Nc1cc(S(=O)(=O)[N-]c2c(CC)cccc2CC)ccc1OC ZINC000408698081 528424560 /nfs/dbraw/zinc/42/45/60/528424560.db2.gz NKBHDCYGHPVEPX-UHFFFAOYSA-N -1 3 390.505 3.969 40 0 GHABHM COc1ccc(Cl)cc1NC(=O)c1cc([N-]S(C)(=O)=O)ccc1Cl ZINC000020459697 570260415 /nfs/dbraw/zinc/26/04/15/570260415.db2.gz YDBATSQEPBFZKL-UHFFFAOYSA-N -1 3 389.260 3.626 40 0 GHABHM Cc1cc2nc3c(c(=O)n2[n-]1)C[C@H]1CC[C@@H](C3)N1Cc1ccc(Cl)c(F)c1 ZINC000100731767 570275385 /nfs/dbraw/zinc/27/53/85/570275385.db2.gz ALFNEIFVVKTJIC-KGLIPLIRSA-N -1 3 386.858 3.668 40 0 GHABHM O=S(=O)([N-]Cc1ccc(-n2ccnc2)cc1)c1cc(Cl)ccc1Cl ZINC000216294670 570298502 /nfs/dbraw/zinc/29/85/02/570298502.db2.gz SLBPMVYPFFJACV-UHFFFAOYSA-N -1 3 382.272 3.658 40 0 GHABHM CC[C@@H](C)N1C(=O)S/C(=C/c2cc(Br)c([O-])c(OC)c2)C1=O ZINC000409010080 570693130 /nfs/dbraw/zinc/69/31/30/570693130.db2.gz JLCYAECFZQWXOJ-LQGZHCLWSA-N -1 3 386.267 3.998 40 0 GHABHM CC(C)(C)[C@@H]1CCC2=C(C1)[C@@](O)(C(F)(F)F)N(C(=O)c1ccccc1[O-])N2 ZINC000409103639 570698471 /nfs/dbraw/zinc/69/84/71/570698471.db2.gz DQSWRRAAEPVBHN-SUFBMKPHSA-N -1 3 384.398 3.917 40 0 GHABHM COc1ccccc1[C@H]1CC(=O)c2c[n-]c3nn(-c4ccccc4)c(=O)c-3c2C1 ZINC000014163920 570878834 /nfs/dbraw/zinc/87/88/34/570878834.db2.gz XWGRCJNQOPVJLE-CQSZACIVSA-N -1 3 385.423 3.635 40 0 GHABHM COc1cccc(C(=O)N2CCC(c3nc(-c4ccsc4)cc(=O)[n-]3)CC2)c1 ZINC000019564307 571007058 /nfs/dbraw/zinc/00/70/58/571007058.db2.gz XWRWRAIVSCZKKR-UHFFFAOYSA-N -1 3 395.484 3.527 40 0 GHABHM O=C(CSc1n[n-]c(-c2ccccn2)n1)Nc1ccc(Cl)c(Cl)c1 ZINC000408583092 231067041 /nfs/dbraw/zinc/06/70/41/231067041.db2.gz RNBVXBAJNPGGTG-UHFFFAOYSA-N -1 3 380.260 3.904 40 0 GHABHM O=C(c1cccc([O-])c1)N1N=C(c2ccc(Cl)cc2)C[C@]1(O)C(F)(F)F ZINC000004163649 204030749 /nfs/dbraw/zinc/03/07/49/204030749.db2.gz MLOXMUHPMMQXIY-INIZCTEOSA-N -1 3 384.741 3.547 40 0 GHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)cc1 ZINC000005579261 204141147 /nfs/dbraw/zinc/14/11/47/204141147.db2.gz HKARPUWVKBCVLZ-UHFFFAOYSA-N -1 3 380.469 3.977 40 0 GHABHM Cc1cc(OCC(=O)N2NC(CC(C)C)=C[C@@]2([O-])C(F)(F)F)ccc1Cl ZINC000032100752 204909857 /nfs/dbraw/zinc/90/98/57/204909857.db2.gz OLSMNYLGFFHSNO-MRXNPFEDSA-N -1 3 392.805 3.913 40 0 GHABHM COc1ccc(Cl)cc1S(=O)(=O)[N-]CCSCc1cccc(C)c1 ZINC000224830392 206028385 /nfs/dbraw/zinc/02/83/85/206028385.db2.gz DEKALKHGGBIPGJ-UHFFFAOYSA-N -1 3 385.938 3.869 40 0 GHABHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)sc(=O)n3C)cc1C(C)C ZINC000225057397 206036275 /nfs/dbraw/zinc/03/62/75/206036275.db2.gz GQSBSZNNGSUVIA-UHFFFAOYSA-N -1 3 392.502 3.533 40 0 GHABHM CC(C)(C)c1ccc(CN2CC[C@@]3(C)C[C@H](O)CC[C@@H]23)c(OCC(=O)[O-])c1 ZINC000257332400 206179983 /nfs/dbraw/zinc/17/99/83/206179983.db2.gz XXEABHRAODAKED-JUXOCIIHSA-N -1 3 375.509 3.573 40 0 GHABHM CCN(C(=O)CSc1n[n-]c(COc2ccccc2F)n1)c1ccccc1 ZINC000408547490 528967051 /nfs/dbraw/zinc/96/70/51/528967051.db2.gz XXQYDYQDALSLLT-UHFFFAOYSA-N -1 3 386.452 3.668 40 0 GHABHM C[C@@H](CCc1ccccc1)NC(=O)Cc1cnc(-c2ccc(Cl)cc2)[n-]c1=O ZINC000019937713 570232054 /nfs/dbraw/zinc/23/20/54/570232054.db2.gz MTUZIGIFKHRMAM-HNNXBMFYSA-N -1 3 395.890 3.770 40 0 GHABHM C[C@@H]1CC[C@@H]2C(C)(C)[C@H](O)CC[C@@]2(C)[C@]12Cc1c(c3c(cc1[O-])CNC3=O)O2 ZINC000604381402 570352355 /nfs/dbraw/zinc/35/23/55/570352355.db2.gz NSKHZIOXIKSFER-TWDUYNABSA-N -1 3 385.504 3.543 40 0 biogenic,in-vitro GHABHM COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccc3ccccc3c2)c1 ZINC000222816818 570427368 /nfs/dbraw/zinc/42/73/68/570427368.db2.gz LIAXMPLLNKIZPU-UHFFFAOYSA-N -1 3 389.860 3.758 40 0 GHABHM CC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)N1 ZINC000032099984 570508473 /nfs/dbraw/zinc/50/84/73/570508473.db2.gz ASCFZBHWZLEXAH-AMIZOPFISA-N -1 3 385.169 3.620 40 0 GHABHM Nc1ccc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c(C(=O)[O-])c1 ZINC000225323633 570564747 /nfs/dbraw/zinc/56/47/47/570564747.db2.gz YOXHJUAZJOYPLQ-UHFFFAOYSA-N -1 3 387.483 3.879 40 0 GHABHM O=C1[C@@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@H]2c1ccccc1 ZINC000013644917 570663706 /nfs/dbraw/zinc/66/37/06/570663706.db2.gz MPPRMKQPZPPZQF-ACRUOGEOSA-N -1 3 388.398 3.877 40 0 GHABHM COc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000043319106 570951183 /nfs/dbraw/zinc/95/11/83/570951183.db2.gz URVTXZKMQZAMLB-UHFFFAOYSA-N -1 3 376.659 3.912 40 0 GHABHM O=c1[n-]c(-c2ccncc2)nc2c1CN(CC1(c3ccc(Cl)cc3)CC1)CC2 ZINC000019332789 570975617 /nfs/dbraw/zinc/97/56/17/570975617.db2.gz YDDAHRDXNAGWMI-UHFFFAOYSA-N -1 3 392.890 3.575 40 0 GHABHM Cc1c(-c2cc(C(=O)[N-]c3ncc(Cc4ccc(F)cc4)s3)on2)cnn1C ZINC000019554280 571002507 /nfs/dbraw/zinc/00/25/07/571002507.db2.gz DUDIEVZVTZMRPE-UHFFFAOYSA-N -1 3 397.435 3.822 40 0 GHABHM O=C(NC(=S)Nc1ccccc1[O-])c1cc(Br)ccc1Cl ZINC000005616651 204143575 /nfs/dbraw/zinc/14/35/75/204143575.db2.gz LLXPKAGBZNQUAX-UHFFFAOYSA-N -1 3 385.670 3.935 40 0 GHABHM Cc1cccc(CNC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)c1 ZINC000031107505 204901874 /nfs/dbraw/zinc/90/18/74/204901874.db2.gz STRNRSCTGJVSCL-UHFFFAOYSA-N -1 3 398.459 3.865 40 0 GHABHM Cc1ccc([C@H](C)NC(=O)c2ccc([N-]S(C)(=O)=O)c(Cl)c2)c(C)c1 ZINC000038752903 205036828 /nfs/dbraw/zinc/03/68/28/205036828.db2.gz ATSLTEDBBFJXTN-ZDUSSCGKSA-N -1 3 380.897 3.819 40 0 GHABHM Cn1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c1 ZINC000224884710 206031009 /nfs/dbraw/zinc/03/10/09/206031009.db2.gz GNOXMTPANRGCAE-MSOLQXFVSA-N -1 3 384.892 3.956 40 0 GHABHM CCn1c2ccc([N-]S(=O)(=O)Cc3ccccc3Cl)cc2sc1=O ZINC000225099189 206036691 /nfs/dbraw/zinc/03/66/91/206036691.db2.gz AKBGZUKCNFGWKJ-UHFFFAOYSA-N -1 3 382.894 3.678 40 0 GHABHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)cc1C(C)C ZINC000225652411 206063514 /nfs/dbraw/zinc/06/35/14/206063514.db2.gz MFVILSBEWKSOJH-UHFFFAOYSA-N -1 3 377.462 3.699 40 0 GHABHM O=c1cc(-c2ccccc2Cl)nc(N2CCN(c3ccc(F)cc3)CC2)[n-]1 ZINC000014608476 136201697 /nfs/dbraw/zinc/20/16/97/136201697.db2.gz ADLRWSXLQLDRSR-UHFFFAOYSA-N -1 3 384.842 3.556 40 0 GHABHM CC(C)(C)[C@@H]1CCC2=C(C1)[C@@](O)(C(F)(F)F)N(C(=O)c1ccc([O-])cc1)N2 ZINC000409095088 526648157 /nfs/dbraw/zinc/64/81/57/526648157.db2.gz HDSSESSODVCZIL-RVZJWNSFSA-N -1 3 384.398 3.917 40 0 GHABHM CCOc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1NC(=O)CC ZINC000408696606 528587368 /nfs/dbraw/zinc/58/73/68/528587368.db2.gz CNCOAZPWLRWKHY-UHFFFAOYSA-N -1 3 376.478 3.851 40 0 GHABHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccncc2)c(C)c1 ZINC000101057382 570616899 /nfs/dbraw/zinc/61/68/99/570616899.db2.gz FVAZHGFOSSHRCS-VSKRKVRLSA-N -1 3 399.450 3.750 40 0 GHABHM Cc1ccc(CC(=O)N2CCC[C@H](c3nc(-c4ccncc4)cc(=O)[n-]3)C2)cc1 ZINC000013227047 570751174 /nfs/dbraw/zinc/75/11/74/570751174.db2.gz MHMPZIHQYATXAS-IBGZPJMESA-N -1 3 388.471 3.501 40 0 GHABHM COc1ccc(Br)cc1S(=O)(=O)[N-]C[C@H](C)c1ccccc1 ZINC000007309660 570757551 /nfs/dbraw/zinc/75/75/51/570757551.db2.gz YXHRZBSJXLGNRK-LBPRGKRZSA-N -1 3 384.295 3.540 40 0 GHABHM CCOc1cc(/C=C2\NC(=S)N(C3CCCCC3)C2=O)cc(Cl)c1[O-] ZINC000015260414 570903899 /nfs/dbraw/zinc/90/38/99/570903899.db2.gz LNOMOPJZRBKTMD-ZROIWOOFSA-N -1 3 380.897 3.835 40 0 GHABHM Cc1cc(NC(=S)NC(=O)c2ccccc2C)cc(Br)c1[O-] ZINC000226243560 570935529 /nfs/dbraw/zinc/93/55/29/570935529.db2.gz PEVGOYICQOLQQF-UHFFFAOYSA-N -1 3 379.279 3.898 40 0 GHABHM O=c1[n-]c(-c2cccnc2)nc2c1CCN(CC1(c3ccc(Cl)cc3)CC1)C2 ZINC000019341174 570977150 /nfs/dbraw/zinc/97/71/50/570977150.db2.gz JPLWKGVIXGENDK-UHFFFAOYSA-N -1 3 392.890 3.575 40 0 GHABHM CC(C)Oc1cccc(CN2CC[C@@H](c3cc(=O)[n-]c(-c4ccccn4)n3)C2)c1 ZINC000019450820 570985521 /nfs/dbraw/zinc/98/55/21/570985521.db2.gz AGYZUKXYROATOO-GOSISDBHSA-N -1 3 390.487 3.609 40 0 GHABHM Cc1cc(C)cc(OCC(=O)N2NC3=C(CCCCC3)[C@]2([O-])C(F)(F)F)c1 ZINC000408949749 231133697 /nfs/dbraw/zinc/13/36/97/231133697.db2.gz FZBBYHNEKBPJCP-QAPCUYQASA-N -1 3 384.398 3.712 40 0 GHABHM Cc1cc(C)nc([N-]c2cncc([C@H]3CCCN(C(=O)c4ccccc4)C3)n2)n1 ZINC000072354329 205333380 /nfs/dbraw/zinc/33/33/80/205333380.db2.gz AZCAQWKHFYOZIJ-SFHVURJKSA-N -1 3 388.475 3.647 40 0 GHABHM O=C(Cc1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000224532864 206022963 /nfs/dbraw/zinc/02/29/63/206022963.db2.gz RAKVAXQVPYERAC-UHFFFAOYSA-N -1 3 384.432 3.808 40 0 GHABHM Cc1ccn(-c2ccc([N-]S(=O)(=O)c3ccc(Br)cc3)cc2)n1 ZINC000028219834 206032814 /nfs/dbraw/zinc/03/28/14/206032814.db2.gz PYNAQSOMLYPYBF-UHFFFAOYSA-N -1 3 392.278 3.744 40 0 GHABHM CC(C)(C)c1ccc([O-])c(C(=O)N[C@@H]2CCC[C@@H](Oc3ccccc3)[C@@H]2O)c1 ZINC000257338657 206181598 /nfs/dbraw/zinc/18/15/98/206181598.db2.gz YYJJAUJFHLDQFD-HMXCVIKNSA-N -1 3 383.488 3.781 40 0 GHABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC3)cc2Cl)cc1 ZINC000019932133 570231322 /nfs/dbraw/zinc/23/13/22/570231322.db2.gz OIXJGMGGPDIVMO-UHFFFAOYSA-N -1 3 378.881 3.685 40 0 GHABHM CCc1c([O-])nc(SCC(=O)Nc2ccc(C)cc2)n(-c2ccccc2)c1=O ZINC000001089451 570241443 /nfs/dbraw/zinc/24/14/43/570241443.db2.gz LLSZEZFIRXITRT-QGZVFWFLSA-N -1 3 395.484 3.622 40 0 GHABHM Cc1cnc([N-]c2nccnc2[C@H]2CCCN2C(=O)C=Cc2ccccc2)s1 ZINC000585293321 570262654 /nfs/dbraw/zinc/26/26/54/570262654.db2.gz ZPZUTRFNAOTYSK-OAGJVSPASA-N -1 3 391.500 3.784 40 0 GHABHM CCc1ccc(-n2c(O)c3n(-c4ccccc4)[n-]c(-c4ccco4)c-3c2=O)cc1 ZINC000101460721 570283497 /nfs/dbraw/zinc/28/34/97/570283497.db2.gz JEXBYCCOIRVSBY-TZIWHRDSSA-N -1 3 385.423 3.625 40 0 GHABHM CCOc1ccc(CCC[N-]S(=O)(=O)c2cc(Cl)ccc2OC)cc1 ZINC000223513938 570469214 /nfs/dbraw/zinc/46/92/14/570469214.db2.gz HPMQSMDYAIAPOV-UHFFFAOYSA-N -1 3 383.897 3.658 40 0 GHABHM COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3=O)c(C)c2)cc1Cl ZINC000032589581 570511802 /nfs/dbraw/zinc/51/18/02/570511802.db2.gz YEIVFBQXWGWQAX-UHFFFAOYSA-N -1 3 394.880 3.585 40 0 GHABHM O=C(CSc1n[n-]c(-c2ccccn2)n1)Nc1ccccc1C(F)(F)F ZINC000071834811 570576089 /nfs/dbraw/zinc/57/60/89/570576089.db2.gz CRRDGUYLXZPQIB-UHFFFAOYSA-N -1 3 379.367 3.616 40 0 GHABHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(OC)c(NC(C)=O)c2)cc1 ZINC000007055358 570756038 /nfs/dbraw/zinc/75/60/38/570756038.db2.gz JZFDWNJUGICUSG-UHFFFAOYSA-N -1 3 376.478 3.797 40 0 GHABHM COc1cccc(C(=O)N2CCCC[C@@H]2c2nc(-c3ccsc3)cc(=O)[n-]2)c1 ZINC000019564507 571006845 /nfs/dbraw/zinc/00/68/45/571006845.db2.gz LFSQJEUIIANPCA-GOSISDBHSA-N -1 3 395.484 3.874 40 0 GHABHM CCc1nnc2n1C[C@@H](c1ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc1)CC2 ZINC000019699016 571031127 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GHABHM Cn1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c1 ZINC000224884748 206031230 /nfs/dbraw/zinc/03/12/30/206031230.db2.gz GNOXMTPANRGCAE-ZWKOTPCHSA-N -1 3 384.892 3.956 40 0 GHABHM O=C([O-])c1ccccc1-c1ccc(CN2CCC[C@@H]2c2cc(CO)[nH]n2)cc1 ZINC000257280892 206172069 /nfs/dbraw/zinc/17/20/69/206172069.db2.gz OMVIJHAXTFBTNW-OAQYLSRUSA-N -1 3 377.444 3.604 40 0 GHABHM O=C(c1ccccc1)N1CCC(Nc2nc(-c3ccsc3)cc(=O)[n-]2)CC1 ZINC000257246561 206166208 /nfs/dbraw/zinc/16/62/08/206166208.db2.gz IURQUACXINFZFR-UHFFFAOYSA-N -1 3 380.473 3.627 40 0 GHABHM Cc1ccc(CN2C(=O)N/C(=C/c3cc(Br)ccc3[O-])C2=O)cc1 ZINC000409231053 533910492 /nfs/dbraw/zinc/91/04/92/533910492.db2.gz HYPSUBXBMJNKRP-OQLLNIDSSA-N -1 3 387.233 3.556 40 0 GHABHM CCCCCC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)COc2ccc(F)cc2)N1 ZINC000409345947 528113269 /nfs/dbraw/zinc/11/32/69/528113269.db2.gz LXLMJVZDRCRSGN-MRXNPFEDSA-N -1 3 376.350 3.624 40 0 GHABHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)cc1NC(C)=O ZINC000408559719 528587517 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C[C@H](CCN1CCc2c(nc(N3CCC(C)CC3)[n-]c2=O)C1)c1ccccc1 ZINC000072389556 136169247 /nfs/dbraw/zinc/16/92/47/136169247.db2.gz YWQDDJSFYAVFQZ-GOSISDBHSA-N -1 3 380.536 3.558 40 0 GHABHM O=c1cc(-c2ccc(F)cc2)nc(N2CCN(c3ccc(Cl)cc3)CC2)[n-]1 ZINC000014606941 136201508 /nfs/dbraw/zinc/20/15/08/136201508.db2.gz ZGJOULGUAGHNFE-UHFFFAOYSA-N -1 3 384.842 3.556 40 0 GHABHM CC(C)C1=C[C@@]([O-])(C(F)(F)F)N(C(=O)c2ccc(Br)cc2)N1 ZINC000409061367 527625940 /nfs/dbraw/zinc/62/59/40/527625940.db2.gz WMNDMVSOEHIJGK-CYBMUJFWSA-N -1 3 379.176 3.558 40 0 GHABHM CCOc1ccc(S(=O)(=O)[N-]c2ccc3sc(C(=O)OC)cc3c2)cc1 ZINC000020029949 570235839 /nfs/dbraw/zinc/23/58/39/570235839.db2.gz ZCWOAWDXFLXVCY-UHFFFAOYSA-N -1 3 391.470 3.887 40 0 GHABHM Cc1ccccc1[C@@H](NC(=O)c1ccc([N-]S(C)(=O)=O)cc1)c1ccccc1 ZINC000020462053 570261099 /nfs/dbraw/zinc/26/10/99/570261099.db2.gz MWBQKGCHKJFEET-NRFANRHFSA-N -1 3 394.496 3.886 40 0 GHABHM CCc1ccc(-n2c(O)c3n(-c4ccccc4)[n-]c(-c4ccco4)c-3c2=O)cc1 ZINC000101460718 570283593 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40 0 GHABHM O=C1[C@@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@H]2c1ccc(F)cc1 ZINC000170591462 570788279 /nfs/dbraw/zinc/78/82/79/570788279.db2.gz FZJBDLOPMUTLQL-ACRUOGEOSA-N -1 3 388.398 3.877 40 0 GHABHM CSCC[C@H](NC(=O)OC(C)(C)C)c1cc(=O)[n-]c(-c2cccnc2)n1 ZINC000019083241 570956078 /nfs/dbraw/zinc/95/60/78/570956078.db2.gz MLOGUWSMQOLGMU-ZDUSSCGKSA-N -1 3 376.482 3.563 40 0 GHABHM Cc1cc(C(=O)N[C@H](Cc2cc(=O)[n-]c(C3CC3)n2)c2ccc(F)cc2)cs1 ZINC000019571967 571010255 /nfs/dbraw/zinc/01/02/55/571010255.db2.gz NBIBZRVCLNPMAN-GOSISDBHSA-N -1 3 397.475 3.870 40 0 GHABHM Cc1cc(C)cc(OCC(=O)N2NC3=C(CCCCC3)[C@@]2([O-])C(F)(F)F)c1 ZINC000408949739 231134081 /nfs/dbraw/zinc/13/40/81/231134081.db2.gz FZBBYHNEKBPJCP-CRAIPNDOSA-N -1 3 384.398 3.712 40 0 GHABHM CCn1c(SCC(=O)Nc2ccc(F)cc2F)nnc1-c1ccccc1[O-] ZINC000409412090 231202746 /nfs/dbraw/zinc/20/27/46/231202746.db2.gz QZTGTLHPQVUXGT-UHFFFAOYSA-N -1 3 390.415 3.680 40 0 GHABHM Cc1ccccc1CC(=O)N1CCC(c2nc(-c3ccccn3)cc(=O)[n-]2)CC1 ZINC000012256416 204388330 /nfs/dbraw/zinc/38/83/30/204388330.db2.gz WJCBAMSSDNRRNV-UHFFFAOYSA-N -1 3 388.471 3.501 40 0 GHABHM CCOC(=O)c1c[n-]nc1NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000019074476 204625175 /nfs/dbraw/zinc/62/51/75/204625175.db2.gz SGYAIAUEMTXAPE-UHFFFAOYSA-N -1 3 395.259 3.876 40 0 GHABHM COc1ccc(S(=O)(=O)[N-]CCOc2ccccc2C)c(Cl)c1Cl ZINC000223852421 206007607 /nfs/dbraw/zinc/00/76/07/206007607.db2.gz JMJJPDSGHHGZNM-UHFFFAOYSA-N -1 3 390.288 3.668 40 0 GHABHM CCCc1ccc(OCC[N-]S(=O)(=O)Cc2c(F)cccc2Cl)cc1 ZINC000224182438 206014407 /nfs/dbraw/zinc/01/44/07/206014407.db2.gz DZUCHCVSQHDZPX-UHFFFAOYSA-N -1 3 385.888 3.930 40 0 GHABHM CCCCS(=O)(=O)[N-]c1nn(Cc2cccc(C)c2)cc1Br ZINC000027917513 206018892 /nfs/dbraw/zinc/01/88/92/206018892.db2.gz MTJMQQYOTDIADJ-UHFFFAOYSA-N -1 3 386.315 3.544 40 0 GHABHM Cn1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1cc(Cl)ccc1[O-] ZINC000224875625 206028444 /nfs/dbraw/zinc/02/84/44/206028444.db2.gz RHNFQHPGQVDJOP-QZTJIDSGSA-N -1 3 384.892 3.956 40 0 GHABHM O=S(=O)(Cc1ccccc1)[N-]c1cnn(COc2ccc(F)cc2Cl)c1 ZINC000032610414 206090150 /nfs/dbraw/zinc/09/01/50/206090150.db2.gz CSNISYXMLVIMCC-UHFFFAOYSA-N -1 3 395.843 3.654 40 0 GHABHM CC(C)c1ccc([O-])c(C(=O)N[C@@H]2CCCC[C@@H](Oc3ccccc3)[C@@H]2O)c1 ZINC000257300426 206174834 /nfs/dbraw/zinc/17/48/34/206174834.db2.gz RUESGBLLEMYYRI-CEMLEFRQSA-N -1 3 383.488 3.997 40 0 GHABHM CC(C)(C)[C@@H]1CCC2=C(C1)[C@]([O-])(C(F)(F)F)N(C(=O)COc1ccccc1)N2 ZINC000409085625 526647903 /nfs/dbraw/zinc/64/79/03/526647903.db2.gz DZOWTCIRSRTAIJ-MUKKUYKPSA-N -1 3 398.425 3.977 40 0 GHABHM COc1ccc(NC(=O)c2ccc([N-]S(C)(=O)=O)c(Cl)c2)cc1Cl ZINC000019931722 570230713 /nfs/dbraw/zinc/23/07/13/570230713.db2.gz LMLZEZGEWOFAJX-UHFFFAOYSA-N -1 3 389.260 3.626 40 0 GHABHM COc1ccc([C@@H](C)NC(=O)Cc2cnc(-c3ccc(Cl)cc3)[n-]c2=O)cc1 ZINC000019937728 570232095 /nfs/dbraw/zinc/23/20/95/570232095.db2.gz UUTNGVQEHYOIMV-CYBMUJFWSA-N -1 3 397.862 3.519 40 0 GHABHM O=C(CSc1n[n-]c(COc2ccc(Cl)cc2)n1)Nc1ccccc1F ZINC000021112913 570291784 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GHABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)cc1 ZINC000005880103 570735281 /nfs/dbraw/zinc/73/52/81/570735281.db2.gz CBHOBWCOTVBGBA-UHFFFAOYSA-N -1 3 396.468 3.677 40 0 GHABHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@H](C)c1ccc(F)cc1 ZINC000007218139 570756887 /nfs/dbraw/zinc/75/68/87/570756887.db2.gz SXSIPDPBUDBJFM-SNVBAGLBSA-N -1 3 388.258 3.636 40 0 GHABHM CCOC(=O)[C@@H](C)Sc1nnc(-c2ccccc2[O-])n1Cc1ccccc1 ZINC000013123832 570831776 /nfs/dbraw/zinc/83/17/76/570831776.db2.gz ADMQIRCNQFXFEE-CQSZACIVSA-N -1 3 383.473 3.743 40 0 GHABHM O=c1[n-]c(-c2ccncc2)nc2c1CCN(Cc1ccc(Cl)cc1Cl)C2 ZINC000019293019 570972864 /nfs/dbraw/zinc/97/28/64/570972864.db2.gz ZVOQSRWGGYEMNP-UHFFFAOYSA-N -1 3 387.270 3.697 40 0 GHABHM COc1cccc(CN2CCCC[C@H]2c2cc(=O)[n-]c(-c3ccncc3)n2)c1 ZINC000019565237 571007586 /nfs/dbraw/zinc/00/75/86/571007586.db2.gz ZLBMPQVSIVCJIY-FQEVSTJZSA-N -1 3 376.460 3.980 40 0 GHABHM Cc1ccc(NC(=O)[C@@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000006233904 856377292 /nfs/dbraw/zinc/37/72/92/856377292.db2.gz XHNHTEZXFLXWHL-LLVKDONJSA-N -1 3 387.288 3.607 40 0 GHABHM CCOP(=O)(OCC)C([N-]S(=O)(=O)c1ccccc1)=C(Cl)Cl ZINC000002686377 206211730 /nfs/dbraw/zinc/21/17/30/206211730.db2.gz XAGCOOOASDXEEF-UHFFFAOYSA-N -1 3 388.209 3.835 40 0 GHABHM CC(C)(C)[C@@H]1CCC2=C(C1)[C@@](O)(C(F)(F)F)N(C(=O)c1cccc([O-])c1)N2 ZINC000409098685 526648649 /nfs/dbraw/zinc/64/86/49/526648649.db2.gz JHYCOBQUJZSHJX-RVZJWNSFSA-N -1 3 384.398 3.917 40 0 GHABHM CCOC(=O)c1ccc(C)c([N-]S(=O)(=O)c2c(C)cc(OC)cc2C)c1 ZINC000225353326 570566940 /nfs/dbraw/zinc/56/69/40/570566940.db2.gz MPGLBSBOTQTUME-UHFFFAOYSA-N -1 3 377.462 3.598 40 0 GHABHM COc1c(C)cccc1CN1CCCC[C@H]1c1cc(=O)[n-]c(-c2ccncc2)n1 ZINC000019235981 570966414 /nfs/dbraw/zinc/96/64/14/570966414.db2.gz QLEYLKZPFOBJHV-FQEVSTJZSA-N -1 3 390.487 3.876 40 0 GHABHM O=c1cc([C@@H]2CCCCN2Cc2cccc(F)c2F)nc(-c2ccncc2)[n-]1 ZINC000019292740 570972799 /nfs/dbraw/zinc/97/27/99/570972799.db2.gz LZNBSQGJWLHTKZ-SFHVURJKSA-N -1 3 382.414 3.837 40 0 GHABHM CC(C)c1ncc(CN2CCC[C@H](c3cc(=O)[n-]c(-c4cccs4)n3)C2)cn1 ZINC000019454058 570986820 /nfs/dbraw/zinc/98/68/20/570986820.db2.gz LRGAVFMOTZRCKH-INIZCTEOSA-N -1 3 395.532 3.791 40 0 GHABHM CCOc1ccc(CN2CCCC[C@H]2c2cc(=O)[n-]c(-c3ccncc3)n2)cc1 ZINC000019533271 570999749 /nfs/dbraw/zinc/99/97/49/570999749.db2.gz AQZNOPHEFIWMCT-NRFANRHFSA-N -1 3 390.487 3.958 40 0 GHABHM O=C([O-])[C@@H](Cc1ccc(Cl)cc1Cl)N1CCN(c2ccccc2)CC1 ZINC000225146041 231032853 /nfs/dbraw/zinc/03/28/53/231032853.db2.gz TUFJJXRGLFHQRE-GOSISDBHSA-N -1 3 379.287 3.811 40 0 GHABHM O=C(NC(=S)Nc1cc(Cl)ccc1[O-])c1cccc(Br)c1 ZINC000006511573 204181689 /nfs/dbraw/zinc/18/16/89/204181689.db2.gz KGJIMOHXZUUUBR-UHFFFAOYSA-N -1 3 385.670 3.935 40 0 GHABHM Cc1ccccc1CC(=O)N1CCC[C@@H](c2nc(-c3ccncc3)cc(=O)[n-]2)C1 ZINC000012256982 204388043 /nfs/dbraw/zinc/38/80/43/204388043.db2.gz CUOQCBSYTHZZMB-LJQANCHMSA-N -1 3 388.471 3.501 40 0 GHABHM O=S(=O)(C(CN1CCCCC1)=C([O-])c1ccccc1)c1ccc(Cl)cc1 ZINC000055107240 205143664 /nfs/dbraw/zinc/14/36/64/205143664.db2.gz MKFUMTCGXFPFOF-IBGZPJMESA-N -1 3 391.920 3.851 40 0 GHABHM O=C(CCc1ccccc1)N1CCCC[C@H]1c1ccnc([N-]c2cnccn2)n1 ZINC000072377697 205340052 /nfs/dbraw/zinc/34/00/52/205340052.db2.gz SAMHEANOMPIRNI-IBGZPJMESA-N -1 3 388.475 3.697 40 0 GHABHM CCS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc3c4c(cccc42)CC3)cc1 ZINC000224111573 206013652 /nfs/dbraw/zinc/01/36/52/206013652.db2.gz DVUOZOKJSHOQDO-UHFFFAOYSA-N -1 3 380.469 3.952 40 0 GHABHM CCS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc(Cc3ccncc3)cc2)cc1 ZINC000224111087 206013964 /nfs/dbraw/zinc/01/39/64/206013964.db2.gz LNRWVUMBISCSBM-UHFFFAOYSA-N -1 3 395.484 3.686 40 0 GHABHM Cc1noc(C)c1-c1cc(CC2CCN(C(=O)c3ccc([O-])cc3)CC2)ncn1 ZINC000257200670 206158355 /nfs/dbraw/zinc/15/83/55/206158355.db2.gz AEKKTHCKKZPWRX-UHFFFAOYSA-N -1 3 392.459 3.549 40 0 GHABHM Cc1nc([C@H]2CC[N@H+](Cc3ccc(-c4ccccc4C(=O)[O-])cc3)C2)cc(=O)[n-]1 ZINC000257270777 206170530 /nfs/dbraw/zinc/17/05/30/206170530.db2.gz MVPXGJIZJJSWDB-SFHVURJKSA-N -1 3 389.455 3.845 40 0 GHABHM Cc1nc([C@H]2CC[N@@H+](Cc3ccc(-c4ccccc4C(=O)[O-])cc3)C2)cc(=O)[n-]1 ZINC000257270777 206170531 /nfs/dbraw/zinc/17/05/31/206170531.db2.gz MVPXGJIZJJSWDB-SFHVURJKSA-N -1 3 389.455 3.845 40 0 GHABHM C[C@@H]1CC[C@@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@]12Cc1c(c3c(cc1[O-])CNC3=O)O2 ZINC000604381386 570352187 /nfs/dbraw/zinc/35/21/87/570352187.db2.gz NSKHZIOXIKSFER-AVWNJZFJSA-N -1 3 385.504 3.543 40 0 biogenic,in-vitro GHABHM O=c1cc(C(Br)(Br)Br)[n-]c2ccccc12 ZINC000017042430 570937950 /nfs/dbraw/zinc/93/79/50/570937950.db2.gz SGQJBPHPQAAALY-UHFFFAOYSA-N -1 3 395.876 3.823 40 0 GHABHM COc1cccc(CN2CCCC[C@@H]2c2cc(=O)[n-]c(-c3ccncc3)n2)c1 ZINC000019565234 571007417 /nfs/dbraw/zinc/00/74/17/571007417.db2.gz ZLBMPQVSIVCJIY-HXUWFJFHSA-N -1 3 376.460 3.980 40 0 GHABHM O=C(CCC1CCCC1)N1CCC(c2nc(-c3ccccn3)cc(=O)[n-]2)CC1 ZINC000012256375 204388023 /nfs/dbraw/zinc/38/80/23/204388023.db2.gz GGARPUAEEDTJRD-UHFFFAOYSA-N -1 3 380.492 3.921 40 0 GHABHM COc1ccc(C(=O)N2CCCC[C@@H]2c2nc(-c3ccsc3)cc(=O)[n-]2)cc1 ZINC000019553099 204653941 /nfs/dbraw/zinc/65/39/41/204653941.db2.gz ILHIZTOGUBOPLC-GOSISDBHSA-N -1 3 395.484 3.874 40 0 GHABHM O=C(Nc1cccnc1)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000044904598 205089450 /nfs/dbraw/zinc/08/94/50/205089450.db2.gz KZZBSROQBDLUKT-UHFFFAOYSA-N -1 3 387.848 3.788 40 0 GHABHM COc1ccc(Cl)cc1S(=O)(=O)[N-]CCOc1ccccc1C(C)C ZINC000223834691 206007570 /nfs/dbraw/zinc/00/75/70/206007570.db2.gz NKGMXDPJFXBEKZ-UHFFFAOYSA-N -1 3 383.897 3.829 40 0 GHABHM CC(C)(C)[C@@H]1CCC2=C(C1)[C@@](O)(C(F)(F)F)N(C(=O)c1cccc([O-])c1)N2 ZINC000409098687 526648184 /nfs/dbraw/zinc/64/81/84/526648184.db2.gz JHYCOBQUJZSHJX-UVBSCNOISA-N -1 3 384.398 3.917 40 0 GHABHM CCCCCC1=C[C@]([O-])(C(F)(F)F)N(C(=O)COc2ccc(F)cc2)N1 ZINC000409345943 528113692 /nfs/dbraw/zinc/11/36/92/528113692.db2.gz LXLMJVZDRCRSGN-INIZCTEOSA-N -1 3 376.350 3.624 40 0 GHABHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(Cl)c2)cc1NC(C)=O ZINC000408559980 528588009 /nfs/dbraw/zinc/58/80/09/528588009.db2.gz NWXRWOWHVVCZGU-UHFFFAOYSA-N -1 3 398.868 3.507 40 0 GHABHM CCOc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)c1ccc(OC)c(OC)c1 ZINC000020029958 570236021 /nfs/dbraw/zinc/23/60/21/570236021.db2.gz UWPBOEISXRTFNX-GFCCVEGCSA-N -1 3 399.896 3.795 40 0 GHABHM CS(=O)(=O)[N-]c1ccc(C(=O)NCCSC2CCCCC2)c(Cl)c1 ZINC000020456355 570259211 /nfs/dbraw/zinc/25/92/11/570259211.db2.gz XBQDPDWOKRZTKZ-UHFFFAOYSA-N -1 3 390.958 3.507 40 0 GHABHM CC(C)Oc1ccc(NC(=O)c2cc([N-]S(C)(=O)=O)ccc2Cl)cc1 ZINC000216391947 570300592 /nfs/dbraw/zinc/30/05/92/570300592.db2.gz GQHRLVCNMQMDOO-UHFFFAOYSA-N -1 3 382.869 3.751 40 0 GHABHM Cc1nc([C@@H]2CCCN2C(=O)[C@H]2CC=CCC2)[n-]c(=O)c1Cc1ccccc1 ZINC000019579172 571012511 /nfs/dbraw/zinc/01/25/11/571012511.db2.gz JXTWTRFSKZJMIR-ICSRJNTNSA-N -1 3 377.488 3.689 40 0 GHABHM Cc1ccc(NC(=O)[C@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000006233910 856377145 /nfs/dbraw/zinc/37/71/45/856377145.db2.gz XHNHTEZXFLXWHL-NSHDSACASA-N -1 3 387.288 3.607 40 0 GHABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)N1CCCCC1 ZINC000408588540 231070229 /nfs/dbraw/zinc/07/02/29/231070229.db2.gz GPUVXEDOEKWTBH-UHFFFAOYSA-N -1 3 377.441 3.644 40 0 GHABHM C[C@@H]1CCC2=C(C1)[C@@]([O-])(C(F)(F)F)N(C(=O)CSCc1ccccc1)N2 ZINC000409350981 231195008 /nfs/dbraw/zinc/19/50/08/231195008.db2.gz VCZPOHDCTFAKND-SUYBPPKGSA-N -1 3 386.439 3.805 40 0 GHABHM O=C(CCc1ccccc1)N1CCC[C@@H](c2nc(-c3ccncc3)cc(=O)[n-]2)C1 ZINC000012256833 204387290 /nfs/dbraw/zinc/38/72/90/204387290.db2.gz KNJRLJROCRZKQT-LJQANCHMSA-N -1 3 388.471 3.583 40 0 GHABHM Cc1cccc(CS(=O)(=O)[N-]Cc2nc(-c3ccc(C(C)(C)C)cc3)no2)c1 ZINC000223625674 206002693 /nfs/dbraw/zinc/00/26/93/206002693.db2.gz HOPVHHXRGFODGU-UHFFFAOYSA-N -1 3 399.516 3.962 40 0 GHABHM COc1ccc(Cl)cc1S(=O)(=O)[N-]CCSCc1ccccc1C ZINC000224551121 206022009 /nfs/dbraw/zinc/02/20/09/206022009.db2.gz TVKWXXDYJWMEMM-UHFFFAOYSA-N -1 3 385.938 3.869 40 0 GHABHM Cc1cc(C(=O)Nc2ccc(N3CCCCC3)cc2)ccc1[N-]S(C)(=O)=O ZINC000224957819 206031166 /nfs/dbraw/zinc/03/11/66/206031166.db2.gz YAFXFJRXFKBHON-UHFFFAOYSA-N -1 3 387.505 3.609 40 0 GHABHM CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3C(C)C)cc1 ZINC000225702873 206068609 /nfs/dbraw/zinc/06/86/09/206068609.db2.gz JFAQSQZWXMFGMV-UHFFFAOYSA-N -1 3 392.502 3.843 40 0 GHABHM CC(C)C1=C[C@]([O-])(C(F)(F)F)N(C(=O)c2ccc(Br)cc2)N1 ZINC000409061368 527625828 /nfs/dbraw/zinc/62/58/28/527625828.db2.gz WMNDMVSOEHIJGK-ZDUSSCGKSA-N -1 3 379.176 3.558 40 0 GHABHM O=C(Cc1cnc(-c2ccc(Cl)cc2)[n-]c1=O)Nc1cc(F)ccc1F ZINC000019937745 570232232 /nfs/dbraw/zinc/23/22/32/570232232.db2.gz XYWDOONLQOPMET-UHFFFAOYSA-N -1 3 375.762 3.550 40 0 GHABHM O=C(c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1)N1CCCCC1 ZINC000020462271 570260967 /nfs/dbraw/zinc/26/09/67/570260967.db2.gz LGLNPVBWWXECEB-UHFFFAOYSA-N -1 3 378.881 3.767 40 0 GHABHM COC(=O)CSc1nnc([N-]C(=O)c2cc3c(ccc4ccccc34)o2)s1 ZINC000223125772 570444926 /nfs/dbraw/zinc/44/49/26/570444926.db2.gz OSGIUOPTWWJYAM-UHFFFAOYSA-N -1 3 399.453 3.955 40 0 GHABHM COc1ccc(Br)cc1S(=O)(=O)[N-]c1c(F)cccc1F ZINC000007405398 570758524 /nfs/dbraw/zinc/75/85/24/570758524.db2.gz AAQWPWYCZPONAR-UHFFFAOYSA-N -1 3 378.194 3.537 40 0 GHABHM COCc1cc(=O)[n-]c([C@@H]2CCCN(Cc3cccc(Cl)c3Cl)C2)n1 ZINC000019594315 571020452 /nfs/dbraw/zinc/02/04/52/571020452.db2.gz ZDQYBUMKYKFUBX-CYBMUJFWSA-N -1 3 382.291 3.603 40 0 GHABHM O=c1cc(C2CCN(Cc3cccnc3)CC2)nc(NCc2ccc(F)cc2)[n-]1 ZINC000019717928 571040849 /nfs/dbraw/zinc/04/08/49/571040849.db2.gz YGRZYUUPTZGRGM-UHFFFAOYSA-N -1 3 393.466 3.708 40 0 GHABHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)Nc2ccccc2)cc1 ZINC000033869287 856439699 /nfs/dbraw/zinc/43/96/99/856439699.db2.gz HPWRAJOXYANONG-UHFFFAOYSA-N -1 3 396.468 3.813 40 0 GHABHM CCc1ccc(C2=NN(C(=O)c3cccc(C)c3[O-])[C@@](O)(C(F)(F)F)C2)cc1 ZINC000409100975 529618629 /nfs/dbraw/zinc/61/86/29/529618629.db2.gz WGEIJSFJMPGWPX-IBGZPJMESA-N -1 3 392.377 3.764 40 0 GHABHM CCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCCCC3)c2)cc1 ZINC000408622869 529688681 /nfs/dbraw/zinc/68/86/81/529688681.db2.gz NUYSGVDDXDGHHI-UHFFFAOYSA-N -1 3 386.517 3.984 40 0 GHABHM CCc1cc(S(=O)(=O)[N-]c2ccc(Br)cc2F)ccc1OC ZINC000223684313 222639571 /nfs/dbraw/zinc/63/95/71/222639571.db2.gz WOVJZEHQFRBQQJ-UHFFFAOYSA-N -1 3 388.258 3.960 40 0 GHABHM O=C(NCCc1ccccc1)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000014051827 204520612 /nfs/dbraw/zinc/52/06/12/204520612.db2.gz LVTAACMWDCIZET-UHFFFAOYSA-N -1 3 398.459 3.599 40 0 GHABHM CCOc1ccc(CN2CCC[C@@H](c3cc(=O)[n-]c(-c4ccccn4)n3)C2)cc1 ZINC000072393205 205344501 /nfs/dbraw/zinc/34/45/01/205344501.db2.gz LOUJEJPEDPEJNE-GOSISDBHSA-N -1 3 390.487 3.610 40 0 GHABHM CS(=O)(=O)[N-]c1ccc(Cl)c(C(=O)Nc2ccc(N3CCCC3)cc2)c1 ZINC000224923304 206031492 /nfs/dbraw/zinc/03/14/92/206031492.db2.gz AKLIIDRVGZRUOX-UHFFFAOYSA-N -1 3 393.896 3.564 40 0 GHABHM CC(C)C1=C[C@]([O-])(C(F)(F)F)N(C(=O)c2ccccc2Br)N1 ZINC000409061947 527625644 /nfs/dbraw/zinc/62/56/44/527625644.db2.gz KJRSDQIJYQWWKT-ZDUSSCGKSA-N -1 3 379.176 3.558 40 0 GHABHM CCOC(=O)Nc1cc(S(=O)(=O)[N-]c2cc(C)cc(C)c2)ccc1OC ZINC000408585082 529107091 /nfs/dbraw/zinc/10/70/91/529107091.db2.gz CFDHZRGBUXOQSA-UHFFFAOYSA-N -1 3 378.450 3.681 40 0 GHABHM O=C(Cc1cnc(-c2ccc(Cl)cc2)[n-]c1=O)NCc1ccccc1Cl ZINC000019937576 570232112 /nfs/dbraw/zinc/23/21/12/570232112.db2.gz WCTYSIPBFIDCQB-UHFFFAOYSA-N -1 3 388.254 3.603 40 0 GHABHM CS(=O)(=O)[N-]c1ccc(Cl)c(C(=O)Nc2ccccc2C(F)(F)F)c1 ZINC000020458224 570259846 /nfs/dbraw/zinc/25/98/46/570259846.db2.gz CYFRMBPJCYJLQY-UHFFFAOYSA-N -1 3 392.786 3.983 40 0 GHABHM Cc1cc2c(cc1S(=O)(=O)[N-]c1ccc(Cl)cc1Cl)oc(=O)n2C ZINC000223335332 570459010 /nfs/dbraw/zinc/45/90/10/570459010.db2.gz HMEHEMZDMGGCEX-UHFFFAOYSA-N -1 3 387.244 3.548 40 0 GHABHM O=C(CCC1CCCC1)N1CCC(c2nc(-c3ccncc3)cc(=O)[n-]2)CC1 ZINC000012256568 570630884 /nfs/dbraw/zinc/63/08/84/570630884.db2.gz VSKRZUZWABZSMN-UHFFFAOYSA-N -1 3 380.492 3.921 40 0 GHABHM Cc1ccc(CC(=O)N2CCC[C@@H](c3nc(-c4ccncc4)cc(=O)[n-]3)C2)cc1 ZINC000013227045 570751250 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O=S(=O)([N-]c1ccccc1Cl)c1ccc(I)cc1 ZINC000048430055 209108788 /nfs/dbraw/zinc/10/87/88/209108788.db2.gz FMDYDYVLFWESPH-UHFFFAOYSA-N -1 3 393.633 3.745 40 0 GHABHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(N3CCCC3=O)c(C)c2)cc1C ZINC000005329321 206607149 /nfs/dbraw/zinc/60/71/49/206607149.db2.gz ZAHOKUNBCPISJZ-UHFFFAOYSA-N -1 3 388.489 3.548 40 0 GHABHM O=C(c1cccc(F)c1)N1CCC(c2nc(-c3ccsc3)cc(=O)[n-]2)CC1 ZINC000019293520 207115711 /nfs/dbraw/zinc/11/57/11/207115711.db2.gz FVSMPQGFABQVAT-UHFFFAOYSA-N -1 3 383.448 3.657 40 0 GHABHM O=C(Cc1cnc(-c2ccc(Cl)cc2)[n-]c1=O)N[C@H]1CCCc2ccccc21 ZINC000019937735 207171270 /nfs/dbraw/zinc/17/12/70/207171270.db2.gz IEOCJMURUXOZLC-IBGZPJMESA-N -1 3 393.874 3.827 40 0 GHABHM CCOc1ccc(NC(=O)Cc2cnc(-c3ccc(Cl)cc3)[n-]c2=O)cc1 ZINC000019937641 207171991 /nfs/dbraw/zinc/17/19/91/207171991.db2.gz PODKGSLTNNGCEH-UHFFFAOYSA-N -1 3 383.835 3.670 40 0 GHABHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)sc(=O)n3C(C)C)cc1C ZINC000225144351 533070965 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O=S(=O)(Cc1cccc(Cl)c1)[N-]Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000223643338 570476343 /nfs/dbraw/zinc/47/63/43/570476343.db2.gz BILUWUAVZSUBTB-UHFFFAOYSA-N -1 3 398.271 3.663 40 0 GHABHM O=S(=O)([N-]CCOc1ccccc1Cl)c1ccc(Br)s1 ZINC000223850297 570487031 /nfs/dbraw/zinc/48/70/31/570487031.db2.gz LKONUKGCDCTZAU-UHFFFAOYSA-N -1 3 396.715 3.521 40 0 GHABHM CC(C)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)cc1 ZINC000034858503 570545306 /nfs/dbraw/zinc/54/53/06/570545306.db2.gz GHIUPNVONDUJFH-UHFFFAOYSA-N -1 3 384.501 3.910 40 0 GHABHM Cc1noc(C)c1S(=O)(=O)[N-]CCSCc1ccc(Cl)cc1Cl ZINC000225627110 570596144 /nfs/dbraw/zinc/59/61/44/570596144.db2.gz FLEYNWAPROQLLJ-UHFFFAOYSA-N -1 3 395.333 3.810 40 0 GHABHM CCn1c2ccc(S(=O)(=O)[N-]c3ccc(OC(C)C)cc3)cc2sc1=O ZINC000225694355 570603982 /nfs/dbraw/zinc/60/39/82/570603982.db2.gz XMLFNKXSTGBBOC-UHFFFAOYSA-N -1 3 392.502 3.671 40 0 GHABHM O=C([N-]n1c(=O)c2ccccc2nc1Cc1cccs1)c1cccc(F)c1 ZINC000004891190 570644012 /nfs/dbraw/zinc/64/40/12/570644012.db2.gz 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C[C@@H]1CC[C@@H]2[C@@H](C1)c1c([O-])c(C(=O)NCCc3c[nH]cn3)ccc1OC2(C)C ZINC000257273597 209063922 /nfs/dbraw/zinc/06/39/22/209063922.db2.gz NHIMEMYFMZVFIF-KBRIMQKVSA-N -1 3 383.492 3.779 40 0 GHABHM O=C([O-])C[C@@H]1CCN(Cc2cccc(F)c2)C[C@@H]1Cc1nc2ccccc2[nH]1 ZINC000514288766 560034255 /nfs/dbraw/zinc/03/42/55/560034255.db2.gz DSVBNTUADVUJTF-IRXDYDNUSA-N -1 3 381.451 3.858 40 0 biogenic,in-vitro GHABHM CCOC(=O)C[C@@H]1C[C@@H](C(C)C)[C@H](C[N-]S(=O)(=O)c2cccs2)C=C1C ZINC000030882330 560089811 /nfs/dbraw/zinc/08/98/11/560089811.db2.gz PMUXMISKLSAVJV-ULQDDVLXSA-N -1 3 399.578 3.834 40 0 biogenic,in-vitro GHABHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1Cl ZINC000216372651 570300295 /nfs/dbraw/zinc/30/02/95/570300295.db2.gz DJUYPHUIQNEUEC-UHFFFAOYSA-N -1 3 392.786 3.983 40 0 GHABHM O=C(Cc1nc2c(c(=O)[n-]1)[C@@H]1CCCC[C@H]1S2)Nc1ccc(Cl)cc1 ZINC000006448269 570480289 /nfs/dbraw/zinc/48/02/89/570480289.db2.gz LWIPSMDAUJHFOB-CHWSQXEVSA-N -1 3 375.881 3.736 40 0 GHABHM COc1ccc(Cl)cc1S(=O)(=O)[N-]CCSCc1ccc(C)cc1 ZINC000223919413 570490217 /nfs/dbraw/zinc/49/02/17/570490217.db2.gz YZIMQBYCZJTONX-UHFFFAOYSA-N -1 3 385.938 3.869 40 0 GHABHM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3Cl)ccc21 ZINC000008475359 570769044 /nfs/dbraw/zinc/76/90/44/570769044.db2.gz MYVWTHGYIURIAR-UHFFFAOYSA-N -1 3 385.272 3.703 40 0 GHABHM O=c1cc(-c2cccc3ccccc32)nc(N2CCN(Cc3ccccc3)CC2)[n-]1 ZINC000013639807 570863010 /nfs/dbraw/zinc/86/30/10/570863010.db2.gz XRRVFIVIOGJMJG-UHFFFAOYSA-N -1 3 396.494 3.912 40 0 GHABHM O=C(CSc1n[n-]c(-c2ccccn2)n1)Nc1cccc(C(F)(F)F)c1 ZINC000119849576 570924356 /nfs/dbraw/zinc/92/43/56/570924356.db2.gz RMDMTJYJUCENIZ-UHFFFAOYSA-N -1 3 379.367 3.616 40 0 GHABHM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(OCC(=O)OC)c(Cl)c1 ZINC000006362066 856379823 /nfs/dbraw/zinc/37/98/23/856379823.db2.gz QNKAKZSYXIRATJ-UHFFFAOYSA-N -1 3 397.880 3.563 40 0 GHABHM COCc1n[n-]c(=S)n1-c1c(C)nn(Cc2ccc(Cl)c(Cl)c2)c1C ZINC000002730795 209116340 /nfs/dbraw/zinc/11/63/40/209116340.db2.gz CMIQVOOWDXTLKY-UHFFFAOYSA-N -1 3 398.319 3.871 40 0 GHABHM Cc1ccccc1CC(=O)N1CCC[C@H](c2nc(-c3ccncc3)cc(=O)[n-]2)C1 ZINC000012256989 206875997 /nfs/dbraw/zinc/87/59/97/206875997.db2.gz CUOQCBSYTHZZMB-IBGZPJMESA-N -1 3 388.471 3.501 40 0 GHABHM Cc1nc([C@H](Cc2c[nH]c3ccccc23)NCc2ccc(F)cc2)cc(=O)[n-]1 ZINC000019285167 207110612 /nfs/dbraw/zinc/11/06/12/207110612.db2.gz ZSNOYKJJTYAAEC-FQEVSTJZSA-N -1 3 376.435 3.772 40 0 GHABHM O=c1[n-]c(-c2cccnc2)nc2c1CCN(Cc1[nH]c3ccccc3c1Cl)C2 ZINC000019375983 207119439 /nfs/dbraw/zinc/11/94/39/207119439.db2.gz KFKCVVFPCWRFQZ-UHFFFAOYSA-N -1 3 391.862 3.525 40 0 GHABHM Cc1nc([C@@H](Cc2c[nH]c3ccccc23)NCc2ccccc2F)cc(=O)[n-]1 ZINC000019285175 207111081 /nfs/dbraw/zinc/11/10/81/207111081.db2.gz ZGDJDFAQOROHCJ-HXUWFJFHSA-N -1 3 376.435 3.772 40 0 GHABHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccccc2C(F)(F)F)c(Cl)c1 ZINC000020050997 207176059 /nfs/dbraw/zinc/17/60/59/207176059.db2.gz ZYYVUZGKUYZKSU-UHFFFAOYSA-N -1 3 392.786 3.983 40 0 GHABHM Cc1ccc([C@H](C)NC(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)c(C)c1 ZINC000020034937 207174019 /nfs/dbraw/zinc/17/40/19/207174019.db2.gz KEQXUEXACHYKCR-ZDUSSCGKSA-N -1 3 380.897 3.819 40 0 GHABHM Cc1noc([C@@]2(C)CCCN(Cc3ccc(-c4ccccc4C(=O)[O-])o3)C2)n1 ZINC000257210280 209055931 /nfs/dbraw/zinc/05/59/31/209055931.db2.gz BTYLJCDLIFKYGO-NRFANRHFSA-N -1 3 381.432 3.890 40 0 GHABHM CCOc1ccc([C@H]2N[C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1OCC ZINC000005466654 570440777 /nfs/dbraw/zinc/44/07/77/570440777.db2.gz OYELXQOPWRAXOG-YLJYHZDGSA-N -1 3 380.444 3.654 40 0 GHABHM CCOc1cccc2c(C)nc(Nc3nc(-c4ccc(F)cc4)cc(=O)[n-]3)nc12 ZINC000010157405 570566452 /nfs/dbraw/zinc/56/64/52/570566452.db2.gz VNESFHRVRFQOLA-UHFFFAOYSA-N -1 3 391.406 3.970 40 0 GHABHM CC(C)(C)OC(=O)N[C@H](Cc1ccc([O-])c(F)c1)C(=O)OCc1ccccc1 ZINC000067794540 570570820 /nfs/dbraw/zinc/57/08/20/570570820.db2.gz LKPABSBPNYIBNZ-QGZVFWFLSA-N -1 3 389.423 3.711 40 0 GHABHM O=C1[C@@H]2C(=C([O-])N1c1ccccc1)ON(c1ccc(Cl)cc1)[C@H]2c1ccco1 ZINC000011917795 570592842 /nfs/dbraw/zinc/59/28/42/570592842.db2.gz CWZHOIMVEOWUSX-FHWLQOOXSA-N -1 3 394.814 3.984 40 0 GHABHM CCCn1c2ccc(S(=O)(=O)[N-]c3ccc(OCC)cc3)cc2sc1=O ZINC000225722122 570608879 /nfs/dbraw/zinc/60/88/79/570608879.db2.gz HVHZBVCUQKYRTJ-UHFFFAOYSA-N -1 3 392.502 3.673 40 0 GHABHM CC(C)c1ccc(CN2CCc3c(nc(N4CCC(C)CC4)[n-]c3=O)C2)cc1 ZINC000012182377 570620016 /nfs/dbraw/zinc/62/00/16/570620016.db2.gz NZCDACAWNZHPSG-UHFFFAOYSA-N -1 3 380.536 3.688 40 0 GHABHM Cc1cc(C(=O)N2CCC(c3nc(-c4ccccn4)cc(=O)[n-]3)CC2)sc1C ZINC000013226754 570750541 /nfs/dbraw/zinc/75/05/41/570750541.db2.gz JYSAFUCYVXPMJF-UHFFFAOYSA-N -1 3 394.500 3.942 40 0 GHABHM CC(C)n1cc(CN2CCc3c(=O)[n-]c(-c4ccncc4)nc3C2)c2ccccc21 ZINC000072336837 570879988 /nfs/dbraw/zinc/87/99/88/570879988.db2.gz MPCPKRMLDIYVGV-UHFFFAOYSA-N -1 3 399.498 3.926 40 0 GHABHM CN(C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)c1ccccc1 ZINC000015349439 207049699 /nfs/dbraw/zinc/04/96/99/207049699.db2.gz CWZICTXQYNPUPH-UHFFFAOYSA-N -1 3 384.432 3.903 40 0 GHABHM Cc1nc([C@H](Cc2c[nH]c3ccccc23)NCc2ccccc2F)cc(=O)[n-]1 ZINC000019285176 207111260 /nfs/dbraw/zinc/11/12/60/207111260.db2.gz ZGDJDFAQOROHCJ-FQEVSTJZSA-N -1 3 376.435 3.772 40 0 GHABHM CCOc1ccc(CN2CCCC[C@H]2c2cc(=O)[n-]c(-c3cccnc3)n2)cc1 ZINC000019533268 207131341 /nfs/dbraw/zinc/13/13/41/207131341.db2.gz BCTVJMDFHXEUTE-NRFANRHFSA-N -1 3 390.487 3.958 40 0 GHABHM COc1ccccc1[C@H](C)NC(=O)Cc1cnc(-c2ccc(Cl)cc2)[n-]c1=O ZINC000019937733 207172272 /nfs/dbraw/zinc/17/22/72/207172272.db2.gz IVLNZIKTWFQDCI-ZDUSSCGKSA-N -1 3 397.862 3.519 40 0 GHABHM CCCCN1C(=O)S/C(=C\c2cc(Br)c([O-])c(OC)c2)C1=O ZINC000409065934 528451476 /nfs/dbraw/zinc/45/14/76/528451476.db2.gz GKIRXHRWODSWFZ-WQLSENKSSA-N -1 3 386.267 4.000 40 0 GHABHM CCSc1nnc([N-]C(=O)c2sc3nc4c(cc3c2N)CCC4)s1 ZINC000002603026 570292347 /nfs/dbraw/zinc/29/23/47/570292347.db2.gz FCTDDSYGWVIAIZ-UHFFFAOYSA-N -1 3 377.520 3.583 40 0 GHABHM O=c1[nH]c2cc(Cl)c(S(=O)(=O)[N-]c3ccc(Cl)cc3Cl)cc2o1 ZINC000223326044 570458525 /nfs/dbraw/zinc/45/85/25/570458525.db2.gz QSYKMUCVHOSNNZ-UHFFFAOYSA-N -1 3 393.635 3.882 40 0 GHABHM COc1ccc(Br)cc1S(=O)(=O)[N-]C(C)(C)CC(C)(C)C ZINC000007376112 570503352 /nfs/dbraw/zinc/50/33/52/570503352.db2.gz JGXBOLVPRMTUSZ-UHFFFAOYSA-N -1 3 378.332 3.951 40 0 GHABHM Cc1ccccc1C(=O)Nc1ccc(NC(=O)COc2ccccc2)cc1[O-] ZINC000008188153 570523752 /nfs/dbraw/zinc/52/37/52/570523752.db2.gz AVCGTCUQKCLQIA-UHFFFAOYSA-N -1 3 376.412 3.970 40 0 GHABHM Cc1cc(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2)ccc1N1CCCC1=O ZINC000224921480 570538229 /nfs/dbraw/zinc/53/82/29/570538229.db2.gz PLCHOEKEAVVPLI-UHFFFAOYSA-N -1 3 399.516 3.523 40 0 GHABHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1Cl ZINC000044949503 570645267 /nfs/dbraw/zinc/64/52/67/570645267.db2.gz XPPCKUUHYSARHK-UHFFFAOYSA-N -1 3 377.224 3.756 40 0 GHABHM Cc1cc(S(=O)(=O)[N-]C(C)(C)C)c(Br)cc1Br ZINC000054362955 570677620 /nfs/dbraw/zinc/67/76/20/570677620.db2.gz YUAQEJQFRLJNIN-UHFFFAOYSA-N -1 3 385.121 3.597 40 0 GHABHM O=C1[C@@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@H]2c1cccs1 ZINC000138597346 570903466 /nfs/dbraw/zinc/90/34/66/570903466.db2.gz CTKZRGNTAQNXDM-FHWLQOOXSA-N -1 3 376.437 3.799 40 0 GHABHM Cc1cccc(C)c1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccncc1 ZINC000004313086 570972372 /nfs/dbraw/zinc/97/23/72/570972372.db2.gz ISIBQCTYOALSME-NNWRFLSQSA-N -1 3 399.450 3.750 40 0 GHABHM O=C(NC1CCCCC1)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000015344718 207049492 /nfs/dbraw/zinc/04/94/92/207049492.db2.gz NHGKOCRJXFDYSR-UHFFFAOYSA-N -1 3 376.453 3.689 40 0 GHABHM Cc1nc([C@H](Cc2c[nH]c3ccccc23)NCc2cccc(F)c2)cc(=O)[n-]1 ZINC000019285171 207112103 /nfs/dbraw/zinc/11/21/03/207112103.db2.gz IMOQZJKWJURVKJ-FQEVSTJZSA-N -1 3 376.435 3.772 40 0 GHABHM CCC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)COc2ccc(Cl)cc2Cl)N1 ZINC000032100040 207392919 /nfs/dbraw/zinc/39/29/19/207392919.db2.gz BMVLSEWJCYWLDR-CYBMUJFWSA-N -1 3 385.169 3.621 40 0 GHABHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2C)[C@@H]3c2ccco2)cc1 ZINC000100799321 208381555 /nfs/dbraw/zinc/38/15/55/208381555.db2.gz GNDIHGXIRKDVMJ-HBMCJLEFSA-N -1 3 388.423 3.948 40 0 GHABHM O=C1[C@H]2C(=C([O-])N1c1ccccc1)ON(c1ccc(Cl)cc1)[C@H]2c1ccco1 ZINC000100563668 208375709 /nfs/dbraw/zinc/37/57/09/208375709.db2.gz CWZHOIMVEOWUSX-QYZOEREBSA-N -1 3 394.814 3.984 40 0 GHABHM CCS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000224873265 208936549 /nfs/dbraw/zinc/93/65/49/208936549.db2.gz DLUBIPFTVNMOBQ-UHFFFAOYSA-N -1 3 388.367 3.599 40 0 GHABHM Cc1cc2nc(C[C@@H](c3nc4cc(C)cc(C)c4[nH]3)S(=O)(=O)[O-])[nH]c2c(C)c1 ZINC000255187854 209045214 /nfs/dbraw/zinc/04/52/14/209045214.db2.gz HEOZVUWVMAQUJI-INIZCTEOSA-N -1 3 398.488 3.844 40 0 GHABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)N(CC)CC)cc2)cc1 ZINC000408591324 528555894 /nfs/dbraw/zinc/55/58/94/528555894.db2.gz LASIPKCQITYFLL-UHFFFAOYSA-N -1 3 391.493 3.760 40 0 GHABHM CCOC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(C)cc2)ccc1OCC ZINC000408585941 529107113 /nfs/dbraw/zinc/10/71/13/529107113.db2.gz LGVJOPOLSVNKPP-UHFFFAOYSA-N -1 3 378.450 3.763 40 0 GHABHM CCOc1ccc([C@@H]2N[C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1OCC ZINC000005466664 570440851 /nfs/dbraw/zinc/44/08/51/570440851.db2.gz OYELXQOPWRAXOG-XLIONFOSSA-N -1 3 380.444 3.654 40 0 GHABHM O=S(=O)(Cc1cccc(Cl)c1)[N-]Cc1nc(-c2ccccc2Cl)no1 ZINC000223643255 570476269 /nfs/dbraw/zinc/47/62/69/570476269.db2.gz PLAMCSWFXCOIKK-UHFFFAOYSA-N -1 3 398.271 3.663 40 0 GHABHM CCc1ccc([C@H](C)NC(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)cc1 ZINC000224745473 570528599 /nfs/dbraw/zinc/52/85/99/570528599.db2.gz LTZVHLUTDMBFQZ-LBPRGKRZSA-N -1 3 380.897 3.765 40 0 GHABHM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(N3CCCC3=O)c2)c(C)c1C ZINC000225062343 570546017 /nfs/dbraw/zinc/54/60/17/570546017.db2.gz RDSOINQDPIIXRO-UHFFFAOYSA-N -1 3 388.489 3.548 40 0 GHABHM CC(=O)N1CCCc2cc(S(=O)(=O)[N-]c3ccc(OC(C)C)cc3)ccc21 ZINC000055619421 570697722 /nfs/dbraw/zinc/69/77/22/570697722.db2.gz PRSRFRYLGWFUNH-UHFFFAOYSA-N -1 3 388.489 3.574 40 0 GHABHM O=S(=O)([N-]C12CC3CC(CC(C3)C1)C2)c1ccc(Br)s1 ZINC000007306004 570757709 /nfs/dbraw/zinc/75/77/09/570757709.db2.gz KQSKSBNDXMFTEK-UHFFFAOYSA-N -1 3 376.341 3.758 40 0 GHABHM COc1cccc(-c2nc3ccc(Cl)cn3c2CN2CCC(C(=O)[O-])CC2)c1 ZINC000002528851 861267308 /nfs/dbraw/zinc/26/73/08/861267308.db2.gz PLOBHGLVRWMEIL-UHFFFAOYSA-N -1 3 399.878 3.960 40 0 GHABHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C\c3ccncc3)SC2=S)c(Cl)c1 ZINC000006965030 856388989 /nfs/dbraw/zinc/38/89/89/856388989.db2.gz XAKKUBGLQKZWFS-NTEUORMPSA-N -1 3 389.889 3.590 40 0 GHABHM Cc1cc(OCC(=O)N2NC(C(C)C)=C[C@@]2([O-])C(F)(F)F)ccc1Cl ZINC000409055140 231152387 /nfs/dbraw/zinc/15/23/87/231152387.db2.gz KBZOWVGZKKSKSO-OAHLLOKOSA-N -1 3 378.778 3.522 40 0 GHABHM O=c1cc([C@H]2CCCCN2Cc2cccc(F)c2F)nc(-c2ccncc2)[n-]1 ZINC000019292741 207114351 /nfs/dbraw/zinc/11/43/51/207114351.db2.gz LZNBSQGJWLHTKZ-GOSISDBHSA-N -1 3 382.414 3.837 40 0 GHABHM O=C(Cc1cnc(-c2ccc(Cl)cc2)[n-]c1=O)Nc1ccc(F)c(F)c1F ZINC000019937743 207171878 /nfs/dbraw/zinc/17/18/78/207171878.db2.gz KOKRIZGHFTURQN-UHFFFAOYSA-N -1 3 393.752 3.689 40 0 GHABHM Cn1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1cc(Cl)ccc1[O-] ZINC000224875744 208936608 /nfs/dbraw/zinc/93/66/08/208936608.db2.gz RHNFQHPGQVDJOP-ROUUACIJSA-N -1 3 384.892 3.956 40 0 GHABHM Cc1cc(C(=O)N2CCCC[C@@H]2c2ncc(Cc3cccc(F)c3)o2)[n-]c(=O)n1 ZINC000257245734 209059408 /nfs/dbraw/zinc/05/94/08/209059408.db2.gz IQWRWELAIMOGMP-GOSISDBHSA-N -1 3 396.422 3.576 40 0 GHABHM CCOC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc(C)c2C)ccc1OC ZINC000408585362 529107490 /nfs/dbraw/zinc/10/74/90/529107490.db2.gz FPVOVAZYOHUKMS-UHFFFAOYSA-N -1 3 378.450 3.681 40 0 GHABHM CCOC(=O)Nc1cc(S(=O)(=O)[N-]c2c(C)cccc2C)ccc1OC ZINC000408588074 529107733 /nfs/dbraw/zinc/10/77/33/529107733.db2.gz XDFIBBQTTSPEBC-UHFFFAOYSA-N -1 3 378.450 3.681 40 0 GHABHM Cc1ccccc1-c1noc(C[N-]S(=O)(=O)c2ccc3ccccc3c2)n1 ZINC000223591853 570473262 /nfs/dbraw/zinc/47/32/62/570473262.db2.gz HETLITLZHXGGFX-UHFFFAOYSA-N -1 3 379.441 3.677 40 0 GHABHM COc1ccc(Cl)cc1S(=O)(=O)[N-]CCOc1ccc2ccccc2c1 ZINC000223644338 570476329 /nfs/dbraw/zinc/47/63/29/570476329.db2.gz PHDDHKACSYDHFK-UHFFFAOYSA-N -1 3 391.876 3.859 40 0 GHABHM O=S(=O)([N-]CCc1ccc(Cl)cc1)c1ccc(Br)s1 ZINC000007376045 570503427 /nfs/dbraw/zinc/50/34/27/570503427.db2.gz RTIKXOWJBFBUKR-UHFFFAOYSA-N -1 3 380.716 3.685 40 0 GHABHM COc1ccc(OCC[N-]S(=O)(=O)Cc2c(Cl)cccc2Cl)cc1 ZINC000224214372 570503875 /nfs/dbraw/zinc/50/38/75/570503875.db2.gz KYVKERGZTSFDRK-UHFFFAOYSA-N -1 3 390.288 3.500 40 0 GHABHM CC1(C)Cc2ccccc2-c2nnc(SCC(=O)Nc3ccccc3[O-])n21 ZINC000000882908 570508726 /nfs/dbraw/zinc/50/87/26/570508726.db2.gz CQNREJCOEYFVHY-UHFFFAOYSA-N -1 3 380.473 3.673 40 0 GHABHM Cc1ccc([C@@H](C)NC(=O)c2ccc([N-]S(C)(=O)=O)c(Cl)c2)c(C)c1 ZINC000038752901 570581389 /nfs/dbraw/zinc/58/13/89/570581389.db2.gz ATSLTEDBBFJXTN-CYBMUJFWSA-N -1 3 380.897 3.819 40 0 GHABHM COc1cccc(-c2nnc([N-]C(=O)c3c(C)onc3C(C)C)s2)c1OC ZINC000012195997 570623301 /nfs/dbraw/zinc/62/33/01/570623301.db2.gz JWQYCGCLIKZPQK-UHFFFAOYSA-N -1 3 388.449 3.894 40 0 GHABHM COc1ccc(-n2cccc2CNC(=O)c2ccc3[n-]c(Cl)nc3c2)cc1 ZINC000225985193 570638254 /nfs/dbraw/zinc/63/82/54/570638254.db2.gz NZJGAAUZEAGMKF-UHFFFAOYSA-N -1 3 380.835 3.946 40 0 GHABHM Cc1cc(NC(=S)NC(=O)Cc2ccccc2)cc(Br)c1[O-] ZINC000226243528 570935685 /nfs/dbraw/zinc/93/56/85/570935685.db2.gz AQLFWRYFQXPTQR-UHFFFAOYSA-N -1 3 379.279 3.519 40 0 GHABHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C\c3cccnc3)SC2=S)c(Cl)c1 ZINC000006965028 856389486 /nfs/dbraw/zinc/38/94/86/856389486.db2.gz IWCSXSKMVSIIEH-RIYZIHGNSA-N -1 3 389.889 3.590 40 0 GHABHM COCCn1c(-c2ccc([O-])c(C(N)=O)c2)cs/c1=N\c1cc(C)cc(C)c1 ZINC000014066683 207009280 /nfs/dbraw/zinc/00/92/80/207009280.db2.gz POSRJOKQEIDOIV-LNVKXUELSA-N -1 3 397.500 3.517 40 0 GHABHM Cc1cccc(CC(=O)N2CCC[C@@H](c3nc(-c4ccsc4)cc(=O)[n-]3)C2)c1 ZINC000019234687 207108858 /nfs/dbraw/zinc/10/88/58/207108858.db2.gz GTNDBMWAOOSQSR-QGZVFWFLSA-N -1 3 393.512 3.756 40 0 GHABHM COc1ccccc1CN1CCCC[C@@H]1c1cc(=O)[n-]c(-c2ccccn2)n1 ZINC000019570401 207136983 /nfs/dbraw/zinc/13/69/83/207136983.db2.gz WLWOVSAWFOVHSB-LJQANCHMSA-N -1 3 376.460 3.980 40 0 GHABHM CCOc1ccc([C@@H](C)NC(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)cc1 ZINC000020490719 207197439 /nfs/dbraw/zinc/19/74/39/207197439.db2.gz WZUXMSIRLJEUTG-GFCCVEGCSA-N -1 3 396.896 3.601 40 0 GHABHM CCOc1ccc([C@@H](C)NC(=O)c2ccc([N-]S(C)(=O)=O)c(Cl)c2)cc1 ZINC000030869470 207377488 /nfs/dbraw/zinc/37/74/88/207377488.db2.gz PIVKZQKMESQDJH-GFCCVEGCSA-N -1 3 396.896 3.601 40 0 GHABHM O=C1[C@@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@@H]2c1ccccc1 ZINC000100917677 208383099 /nfs/dbraw/zinc/38/30/99/208383099.db2.gz MPPRMKQPZPPZQF-HBMCJLEFSA-N -1 3 388.398 3.877 40 0 GHABHM O=C([O-])c1ccccc1-c1ccc(CN2CCC(Cc3cnccn3)CC2)o1 ZINC000257208020 209056460 /nfs/dbraw/zinc/05/64/60/209056460.db2.gz BKHVPOYVEPAZME-UHFFFAOYSA-N -1 3 377.444 3.890 40 0 GHABHM CCN(CC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000408564564 528047362 /nfs/dbraw/zinc/04/73/62/528047362.db2.gz ZPAMPYPRSLFDHM-UHFFFAOYSA-N -1 3 375.494 3.978 40 0 GHABHM CCOc1ccc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C)cc1NC(C)=O ZINC000408556414 528588099 /nfs/dbraw/zinc/58/80/99/528588099.db2.gz IHDUONWVDGALSZ-UHFFFAOYSA-N -1 3 376.478 3.770 40 0 GHABHM Cc1[n-]n(-c2ccccc2)c(=O)c1[C@@H](c1ccc2c(c1)OCO2)N1CCCCC1 ZINC000039377198 570443926 /nfs/dbraw/zinc/44/39/26/570443926.db2.gz PUJSOUOYRDPRTO-FCHUYYIVSA-N -1 3 391.471 3.981 40 0 GHABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CC(C)(C)Oc2ccccc21 ZINC000223942397 570491381 /nfs/dbraw/zinc/49/13/81/570491381.db2.gz DXNYDGYTOWOYAL-AWEZNQCLSA-N -1 3 381.881 3.929 40 0 GHABHM CCCC[C@H](CC)C[N-]S(=O)(=O)c1cc(Br)ccc1OC ZINC000070139654 570557176 /nfs/dbraw/zinc/55/71/76/570557176.db2.gz CECLVHVVCRTKAZ-LBPRGKRZSA-N -1 3 378.332 3.952 40 0 GHABHM Cc1cccc(CC(=O)N2CCC[C@H](c3nc(-c4ccncc4)cc(=O)[n-]3)C2)c1 ZINC000012256944 570631525 /nfs/dbraw/zinc/63/15/25/570631525.db2.gz PVLOJADQCNMDQG-IBGZPJMESA-N -1 3 388.471 3.501 40 0 GHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccccc3)cc2)cc1 ZINC000059133001 570736727 /nfs/dbraw/zinc/73/67/27/570736727.db2.gz BMDHCWKNERYAHY-UHFFFAOYSA-N -1 3 396.468 3.813 40 0 GHABHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@@H](C)c1ccc(F)cc1 ZINC000007218136 570757015 /nfs/dbraw/zinc/75/70/15/570757015.db2.gz SXSIPDPBUDBJFM-JTQLQIEISA-N -1 3 388.258 3.636 40 0 GHABHM CCc1nnc([N-]C(=O)c2sc3nc(C(F)(F)F)cc(C)c3c2N)s1 ZINC000003089487 570954209 /nfs/dbraw/zinc/95/42/09/570954209.db2.gz HPVDTAVVWVOPHD-UHFFFAOYSA-N -1 3 387.412 3.872 40 0 GHABHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@@H](C)CCc1ccccc1 ZINC000007375143 571045727 /nfs/dbraw/zinc/04/57/27/571045727.db2.gz CRUYCNRIJTWKRN-ZDUSSCGKSA-N -1 3 398.322 3.757 40 0 GHABHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1C(=O)NCC(C)C ZINC000408584814 231067563 /nfs/dbraw/zinc/06/75/63/231067563.db2.gz VJVLIKCFRYRPFD-UHFFFAOYSA-N -1 3 380.897 3.835 40 0 GHABHM c1snc(-c2nnc([N-]c3ccc4c(c3)OCO4)o2)c1NCc1ccncc1 ZINC000015079670 207046030 /nfs/dbraw/zinc/04/60/30/207046030.db2.gz DHWKFJNHYGYNGZ-UHFFFAOYSA-N -1 3 394.416 3.673 40 0 GHABHM O=c1cc([C@H]2CCCCN2Cc2ccc(F)c(F)c2)nc(-c2ccncc2)[n-]1 ZINC000019292933 207115602 /nfs/dbraw/zinc/11/56/02/207115602.db2.gz CHLVKTUJARVFLE-LJQANCHMSA-N -1 3 382.414 3.837 40 0 GHABHM COc1ccc(F)cc1S(=O)(=O)[N-][C@@H](C)c1ccc(Br)cc1 ZINC000020030053 207174155 /nfs/dbraw/zinc/17/41/55/207174155.db2.gz HZWYRGGXXJBHES-JTQLQIEISA-N -1 3 388.258 3.636 40 0 GHABHM Cc1cccc(C)c1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccncc1 ZINC000096900845 208325286 /nfs/dbraw/zinc/32/52/86/208325286.db2.gz ISIBQCTYOALSME-HJNYFJLDSA-N -1 3 399.450 3.750 40 0 GHABHM CCC[C@H]1[C@H]2C(=O)N(c3ccccc3OCC)C([O-])=C2ON1c1ccccc1 ZINC000101146500 208387089 /nfs/dbraw/zinc/38/70/89/208387089.db2.gz DYGSNVAEYHBMBN-SXLOBPIMSA-N -1 3 380.444 3.564 40 0 GHABHM CCNC(=O)c1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)c(C)s1 ZINC000006680076 208682045 /nfs/dbraw/zinc/68/20/45/208682045.db2.gz RPJXKOCWZBALBL-UHFFFAOYSA-N -1 3 393.317 3.914 40 0 GHABHM Cc1ccc(-c2cc(=O)[n-]c(N3CCN(c4ccc(Cl)cc4)CC3)n2)cc1 ZINC000014606940 136201500 /nfs/dbraw/zinc/20/15/00/136201500.db2.gz BUYGKQIRSJAAAM-UHFFFAOYSA-N -1 3 380.879 3.725 40 0 GHABHM Cc1[n-]n(-c2ccccc2)c(=O)c1[C@H](c1ccc2c(c1)OCO2)N1CCCCC1 ZINC000039377199 570443889 /nfs/dbraw/zinc/44/38/89/570443889.db2.gz PUJSOUOYRDPRTO-VXKWHMMOSA-N -1 3 391.471 3.981 40 0 GHABHM Cc1cccc(CS(=O)(=O)[N-]Cc2nc(-c3ccc(C(C)C)cc3)no2)c1 ZINC000223625599 570475022 /nfs/dbraw/zinc/47/50/22/570475022.db2.gz DVABYYJYGDQQGX-UHFFFAOYSA-N -1 3 385.489 3.788 40 0 GHABHM CC(C)c1ccc(-c2noc(C[N-]S(=O)(=O)Cc3ccc(F)cc3)n2)cc1 ZINC000223633755 570475761 /nfs/dbraw/zinc/47/57/61/570475761.db2.gz HECCGGZLSPTILM-UHFFFAOYSA-N -1 3 389.452 3.619 40 0 GHABHM O=C(Cc1nc2c(c(=O)[n-]1)[C@H]1CCCC[C@H]1S2)Nc1ccc(Cl)cc1 ZINC000006448265 570480215 /nfs/dbraw/zinc/48/02/15/570480215.db2.gz LWIPSMDAUJHFOB-QWHCGFSZSA-N -1 3 375.881 3.736 40 0 GHABHM O=C(CCC1CCCC1)N1CCC[C@@H](c2nc(-c3ccncc3)cc(=O)[n-]2)C1 ZINC000012256855 570631426 /nfs/dbraw/zinc/63/14/26/570631426.db2.gz YTNUFRLPVNLYEQ-GOSISDBHSA-N -1 3 380.492 3.921 40 0 GHABHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1Cl ZINC000044946638 570644946 /nfs/dbraw/zinc/64/49/46/570644946.db2.gz HJNMVPQTVKHOFQ-UHFFFAOYSA-N -1 3 392.786 3.983 40 0 GHABHM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(OC)c(C(=O)NC(C)C)c1 ZINC000013681632 570773526 /nfs/dbraw/zinc/77/35/26/570773526.db2.gz RWICADQTBCYPCM-UHFFFAOYSA-N -1 3 390.505 3.505 40 0 GHABHM Cc1ccc(C(=O)N[C@H](Cc2cc(=O)[n-]c(C3CC3)n2)c2ccc(F)cc2)s1 ZINC000019217078 207107232 /nfs/dbraw/zinc/10/72/32/207107232.db2.gz OGIWPYMEUAGPFD-QGZVFWFLSA-N -1 3 397.475 3.870 40 0 GHABHM Cc1nc([C@@H](Cc2c[nH]c3ccccc23)NCc2cccc(F)c2)cc(=O)[n-]1 ZINC000019285170 207111323 /nfs/dbraw/zinc/11/13/23/207111323.db2.gz IMOQZJKWJURVKJ-HXUWFJFHSA-N -1 3 376.435 3.772 40 0 GHABHM COc1ccccc1CN1CCCC[C@H]1c1cc(=O)[n-]c(-c2ccccn2)n1 ZINC000019570404 207135680 /nfs/dbraw/zinc/13/56/80/207135680.db2.gz WLWOVSAWFOVHSB-IBGZPJMESA-N -1 3 376.460 3.980 40 0 GHABHM COc1ccc(-c2cc(C(=O)[N-]c3nc(-c4cn(C)nc4C)cs3)on2)cc1 ZINC000019718911 207156383 /nfs/dbraw/zinc/15/63/83/207156383.db2.gz GSHQRQKKJONMBL-UHFFFAOYSA-N -1 3 395.444 3.768 40 0 GHABHM COc1ccc(F)cc1S(=O)(=O)[N-][C@H](C)c1ccc(Br)cc1 ZINC000020030054 207174760 /nfs/dbraw/zinc/17/47/60/207174760.db2.gz HZWYRGGXXJBHES-SNVBAGLBSA-N -1 3 388.258 3.636 40 0 GHABHM CC[C@H](NC(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl)c1ccc(OC)cc1 ZINC000020046991 207176314 /nfs/dbraw/zinc/17/63/14/207176314.db2.gz BYUNIWBZQMEWBM-KRWDZBQOSA-N -1 3 396.896 3.601 40 0 GHABHM CN(Cc1ccc(Cl)cc1)C(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC000020493126 207199568 /nfs/dbraw/zinc/19/95/68/207199568.db2.gz DIHWHOMOHBNVRO-UHFFFAOYSA-N -1 3 387.288 3.637 40 0 GHABHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(NC(C)=O)cc2)cc1C(C)C ZINC000193440661 208807707 /nfs/dbraw/zinc/80/77/07/208807707.db2.gz BZQFAYCTDLYANR-UHFFFAOYSA-N -1 3 376.478 3.886 40 0 GHABHM O=C(CSCc1ccccc1)N1NC2=C(CCCCC2)[C@@]1([O-])C(F)(F)F ZINC000409356020 534668004 /nfs/dbraw/zinc/66/80/04/534668004.db2.gz DPNOENHIWAFDMS-WMLDXEAASA-N -1 3 386.439 3.949 40 0 GHABHM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2CC)cc1NC(=O)CC ZINC000408699234 528589528 /nfs/dbraw/zinc/58/95/28/528589528.db2.gz VQJKQDLNEVVBCY-UHFFFAOYSA-N -1 3 376.478 3.797 40 0 GHABHM Cn1c(C[C@H]2CN(Cc3cccc(F)c3)CC[C@H]2CC(=O)[O-])nc2ccccc21 ZINC000514288523 560034873 /nfs/dbraw/zinc/03/48/73/560034873.db2.gz BXFXYANLTLCUOA-ROUUACIJSA-N -1 3 395.478 3.868 40 0 biogenic,in-vitro GHABHM Cc1ccc(SCCNC(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)cc1 ZINC000216492247 570302434 /nfs/dbraw/zinc/30/24/34/570302434.db2.gz UESKELCMXXJDTB-UHFFFAOYSA-N -1 3 398.937 3.542 40 0 GHABHM C[C@@H](NC(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl)c1ccc2c(c1)CCC2 ZINC000223217242 570450550 /nfs/dbraw/zinc/45/05/50/570450550.db2.gz AKFKCKLSSPXLTL-GFCCVEGCSA-N -1 3 392.908 3.691 40 0 GHABHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(N3CCCC3=O)c(C)c2)c(C)c1 ZINC000223673717 570477884 /nfs/dbraw/zinc/47/78/84/570477884.db2.gz FNBBVFMQXJQANI-UHFFFAOYSA-N -1 3 388.489 3.548 40 0 GHABHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc(F)c(Cl)c2)c(Cl)c1 ZINC000038755996 570582248 /nfs/dbraw/zinc/58/22/48/570582248.db2.gz XZPQOLDNNPEIJY-UHFFFAOYSA-N -1 3 377.224 3.756 40 0 GHABHM Cn1c(=O)sc2cc(S(=O)(=O)[N-]c3cc(Cl)ccc3Cl)ccc21 ZINC000225672443 570601408 /nfs/dbraw/zinc/60/14/08/570601408.db2.gz MICIQBQMAJMTKZ-UHFFFAOYSA-N -1 3 389.285 3.708 40 0 GHABHM CC(C)Oc1ccc(CN2CCc3nc(-c4cccnc4)[n-]c(=O)c3C2)cc1 ZINC000012122032 570613078 /nfs/dbraw/zinc/61/30/78/570613078.db2.gz PHLSTONNTKIDIB-UHFFFAOYSA-N -1 3 376.460 3.590 40 0 GHABHM O=C1CCCN1c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1 ZINC000012198625 570624194 /nfs/dbraw/zinc/62/41/94/570624194.db2.gz HVGHNRXBXZIGPQ-UHFFFAOYSA-N -1 3 385.272 3.921 40 0 GHABHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@H](C)c1ccc(C)cc1 ZINC000033898821 570647324 /nfs/dbraw/zinc/64/73/24/570647324.db2.gz VWUOEVFLYZLZHR-GFCCVEGCSA-N -1 3 384.295 3.806 40 0 GHABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)NCC(C)C)cc2)c(C)c1 ZINC000408583980 231067417 /nfs/dbraw/zinc/06/74/17/231067417.db2.gz LAUAXMMODYJCFD-UHFFFAOYSA-N -1 3 375.494 3.882 40 0 GHABHM Cc1cc(OCC(=O)N2NC(C(C)C)=C[C@]2([O-])C(F)(F)F)ccc1Cl ZINC000409055133 231152586 /nfs/dbraw/zinc/15/25/86/231152586.db2.gz KBZOWVGZKKSKSO-HNNXBMFYSA-N -1 3 378.778 3.522 40 0 GHABHM CCc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)NCC(C)C)cc2)cc1 ZINC000408584836 529688571 /nfs/dbraw/zinc/68/85/71/529688571.db2.gz VSZGCGNEPXYTJW-UHFFFAOYSA-N -1 3 375.494 3.827 40 0 GHABHM CN(Cc1ccccc1)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000014049771 207008560 /nfs/dbraw/zinc/00/85/60/207008560.db2.gz JMUGTZDEBODEGX-UHFFFAOYSA-N -1 3 398.459 3.899 40 0 GHABHM O=C(Cc1ccc(F)cc1)N1CCC[C@@H](c2nc(-c3ccsc3)cc(=O)[n-]2)C1 ZINC000019333248 207116109 /nfs/dbraw/zinc/11/61/09/207116109.db2.gz JCJPHULWGMVXIG-OAHLLOKOSA-N -1 3 397.475 3.586 40 0 GHABHM CC(C)c1nc(C[C@H](NC(=O)c2cccc(F)c2)c2ccc(F)cc2)cc(=O)[n-]1 ZINC000019453528 207123374 /nfs/dbraw/zinc/12/33/74/207123374.db2.gz WGWMVQQHQBASMY-IBGZPJMESA-N -1 3 397.425 3.885 40 0 GHABHM Cc1nc([C@@H]2CCCN2C(=O)[C@@H]2CC=CCC2)[n-]c(=O)c1Cc1ccccc1 ZINC000019579177 207137678 /nfs/dbraw/zinc/13/76/78/207137678.db2.gz JXTWTRFSKZJMIR-QUCCMNQESA-N -1 3 377.488 3.689 40 0 GHABHM CCC1=C[C@]([O-])(C(F)(F)F)N(C(=O)CSCc2ccccc2Cl)N1 ZINC000020058527 207176068 /nfs/dbraw/zinc/17/60/68/207176068.db2.gz OSPMPDSAZPNSEW-AWEZNQCLSA-N -1 3 380.819 3.822 40 0 GHABHM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OCC)cc2)c(Cl)c1 ZINC000020111832 207179581 /nfs/dbraw/zinc/17/95/81/207179581.db2.gz YQHRMEATRSYAGT-UHFFFAOYSA-N -1 3 383.853 3.716 40 0 GHABHM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C)cc1N1CCCC1=O ZINC000030751443 207374506 /nfs/dbraw/zinc/37/45/06/207374506.db2.gz JZWOFYLDVOZBCW-UHFFFAOYSA-N -1 3 394.880 3.585 40 0 GHABHM C[C@H]1C[C@@H]1C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(C1CCCCC1)C2 ZINC000096319724 208306011 /nfs/dbraw/zinc/30/60/11/208306011.db2.gz JCOVILCFVSITPQ-ZAAXVRCTSA-N -1 3 398.551 3.583 40 0 GHABHM C[C@@H]1C[C@@H]1C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(C1CCCCC1)C2 ZINC000096319723 208307393 /nfs/dbraw/zinc/30/73/93/208307393.db2.gz JCOVILCFVSITPQ-MOXGXCLJSA-N -1 3 398.551 3.583 40 0 GHABHM C[C@@H]1CC[C@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@]12Cc1c(c3c(cc1[O-])C(=O)NC3)O2 ZINC000013367843 221266533 /nfs/dbraw/zinc/26/65/33/221266533.db2.gz ZSVLMDBFFSSVAK-RCJATNNHSA-N -1 3 385.504 3.543 40 0 biogenic,in-vitro GHABHM CC(C)C1=C[C@]([O-])(C(F)(F)F)N(C(=O)COc2ccc(C(C)(C)C)cc2)N1 ZINC000409090033 527626147 /nfs/dbraw/zinc/62/61/47/527626147.db2.gz PWZITNSNIAVAMK-SFHVURJKSA-N -1 3 386.414 3.858 40 0 GHABHM Cc1cnc([N-]c2nccnc2[C@@H]2CCCN2C(=O)C=Cc2ccccc2)s1 ZINC000585293317 570262542 /nfs/dbraw/zinc/26/25/42/570262542.db2.gz ZPZUTRFNAOTYSK-FVNWOWOISA-N -1 3 391.500 3.784 40 0 GHABHM COc1ccc(S(=O)(=O)[N-]c2ccc(Cc3noc(C(C)C)n3)cc2)cc1 ZINC000222990221 570435518 /nfs/dbraw/zinc/43/55/18/570435518.db2.gz OMHVWWVFRDFWJU-UHFFFAOYSA-N -1 3 387.461 3.593 40 0 GHABHM CCOC(=O)C(=O)[N-]c1sc2c(c1C(=O)Nc1cccc(C)c1)CCCC2 ZINC000005457376 570440426 /nfs/dbraw/zinc/44/04/26/570440426.db2.gz GHLGEXLCGOBQIF-UHFFFAOYSA-N -1 3 386.473 3.689 40 0 GHABHM COc1ccc(Br)cc1S(=O)(=O)[N-]CCCc1cccc(C)c1 ZINC000223251584 570453420 /nfs/dbraw/zinc/45/34/20/570453420.db2.gz DWOMYAUROQCOSX-UHFFFAOYSA-N -1 3 398.322 3.677 40 0 GHABHM O=C(Nc1nc2ccccc2s1)c1c([O-])c2c(n(C3CC3)c1=O)CCCC2 ZINC000004487154 570627976 /nfs/dbraw/zinc/62/79/76/570627976.db2.gz IIDRYPDANAIOEW-UHFFFAOYSA-N -1 3 381.457 3.630 40 0 GHABHM CC(C)(C)[C@@H]1CCC2=C(C1)[C@](O)(C(F)(F)F)N(C(=O)c1ccccc1[O-])N2 ZINC000409103642 570698565 /nfs/dbraw/zinc/69/85/65/570698565.db2.gz DQSWRRAAEPVBHN-YNKQFZHNSA-N -1 3 384.398 3.917 40 0 GHABHM Cc1cc(NC(=O)c2ccc([N-]S(C)(=O)=O)c(C)c2)ccc1Br ZINC000010315239 570788347 /nfs/dbraw/zinc/78/83/47/570788347.db2.gz IEILLQOAJKYGTC-UHFFFAOYSA-N -1 3 397.294 3.690 40 0 GHABHM CCOC(=O)[C@@H](C)Sc1nnc(-c2ccccc2[O-])n1-c1ccc(C)cc1 ZINC000013123828 570831649 /nfs/dbraw/zinc/83/16/49/570831649.db2.gz OZZBOUWJCBWIFV-CQSZACIVSA-N -1 3 383.473 3.992 40 0 GHABHM Cn1nccc1CC1CCN(Cc2ccc(-c3ccccc3C(=O)[O-])o2)CC1 ZINC000585177734 570999589 /nfs/dbraw/zinc/99/95/89/570999589.db2.gz DPLOEEKNTHDYDT-UHFFFAOYSA-N -1 3 379.460 3.833 40 0 GHABHM CCOc1cc(C(=S)N2CCN(Cc3ccccc3)CC2)cc(Cl)c1[O-] ZINC000006958883 856386986 /nfs/dbraw/zinc/38/69/86/856386986.db2.gz AYDUTOMKOQNGBE-UHFFFAOYSA-N -1 3 390.936 3.938 40 0 GHABHM Cc1ccc(OCC(=O)N2NC3=C(CCC[C@H]3C)[C@]2([O-])C(F)(F)F)cc1C ZINC000409179474 231175705 /nfs/dbraw/zinc/17/57/05/231175705.db2.gz OVDFLCGWCNAISM-DWQUBVKVSA-N -1 3 384.398 3.568 40 0 GHABHM COc1ccc(Cl)c([N-]S(=O)(=O)c2ccccc2Br)c1 ZINC000043319109 206263635 /nfs/dbraw/zinc/26/36/35/206263635.db2.gz QPGZQTXSQNOHCQ-UHFFFAOYSA-N -1 3 376.659 3.912 40 0 GHABHM O=C([O-])CCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1 ZINC000014975441 206296811 /nfs/dbraw/zinc/29/68/11/206296811.db2.gz MEVFKTVEGJUHHI-UHFFFAOYSA-N -1 3 380.488 3.592 40 0 in-vivo GHABHM Cc1ccc(C(=O)Cc2nnc(=S)[n-]c2CC(=O)c2ccc(C)cc2)cc1 ZINC000000623173 206307659 /nfs/dbraw/zinc/30/76/59/206307659.db2.gz LNIHVHCMXQYGEA-UHFFFAOYSA-N -1 3 377.469 3.628 40 0 GHABHM O=c1cc(-c2nccs2)nc(C2CCN(Cc3ccccc3Cl)CC2)[n-]1 ZINC000019348913 207118040 /nfs/dbraw/zinc/11/80/40/207118040.db2.gz OMULWLZTYSTRBX-UHFFFAOYSA-N -1 3 386.908 3.926 40 0 GHABHM O=C(NC1CCCCC1)N1CCC(c2nc(-c3ccsc3)cc(=O)[n-]2)CC1 ZINC000019406689 207121265 /nfs/dbraw/zinc/12/12/65/207121265.db2.gz MEQXKUFFDTYKIN-UHFFFAOYSA-N -1 3 386.521 3.720 40 0 GHABHM CCc1nnc2n1C[C@H](c1ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc1)CC2 ZINC000019699015 207148704 /nfs/dbraw/zinc/14/87/04/207148704.db2.gz IBMZWHSDJZIMMF-QGZVFWFLSA-N -1 3 396.516 3.680 40 0 GHABHM COc1ccc(Cl)cc1NC(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC000022525807 207254996 /nfs/dbraw/zinc/25/49/96/207254996.db2.gz UBUOFFVVPQYHAS-UHFFFAOYSA-N -1 3 389.260 3.626 40 0 GHABHM O=S(=O)([N-]Cc1ccccc1-n1ccnc1)c1cc(Cl)ccc1Cl ZINC000030847675 207375074 /nfs/dbraw/zinc/37/50/74/207375074.db2.gz HOPOZOJEOMUCES-UHFFFAOYSA-N -1 3 382.272 3.658 40 0 GHABHM O=C(c1ccc(Cl)cc1)N1CCC[C@H](c2ccnc([N-]c3cnccn3)n2)C1 ZINC000072377548 208010120 /nfs/dbraw/zinc/01/01/20/208010120.db2.gz ZLIKTWZXYDPOGB-HNNXBMFYSA-N -1 3 394.866 3.683 40 0 GHABHM C[C@@H]1CC[C@@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@]12Cc1c(c3c(cc1[O-])C(=O)NC3)O2 ZINC000256631123 209046061 /nfs/dbraw/zinc/04/60/61/209046061.db2.gz ZSVLMDBFFSSVAK-LORSETISSA-N -1 3 385.504 3.543 40 0 biogenic,in-vitro GHABHM C[C@@H](CCN1CCc2c(nc(N3CCC(C)CC3)[n-]c2=O)C1)c1ccccc1 ZINC000072389557 136169273 /nfs/dbraw/zinc/16/92/73/136169273.db2.gz YWQDDJSFYAVFQZ-SFHVURJKSA-N -1 3 380.536 3.558 40 0 GHABHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1NC(=O)CC ZINC000408699519 528589601 /nfs/dbraw/zinc/58/96/01/528589601.db2.gz XLXGOGNOOOGHHQ-UHFFFAOYSA-N -1 3 376.478 3.851 40 0 GHABHM Cc1ccccc1NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000006861120 570382344 /nfs/dbraw/zinc/38/23/44/570382344.db2.gz YDZWELQSVSQLQG-LLVKDONJSA-N -1 3 387.288 3.607 40 0 GHABHM O=c1[nH]c2cc(Cl)c(S(=O)(=O)[N-]c3cc(Cl)ccc3Cl)cc2o1 ZINC000223326117 570458564 /nfs/dbraw/zinc/45/85/64/570458564.db2.gz IECYBYPGRCTTHS-UHFFFAOYSA-N -1 3 393.635 3.882 40 0 GHABHM COc1ccc(S(=O)(=O)[N-]CCc2ccc(F)cc2)c(Cl)c1Cl ZINC000223852346 570487188 /nfs/dbraw/zinc/48/71/88/570487188.db2.gz ZEXYIFFHQTXZSW-UHFFFAOYSA-N -1 3 378.252 3.662 40 0 GHABHM Nc1cc(C(=O)[O-])ccc1N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000225322874 570564716 /nfs/dbraw/zinc/56/47/16/570564716.db2.gz OIEATBCIXYYEFT-UHFFFAOYSA-N -1 3 387.483 3.879 40 0 GHABHM COc1cc(S(=O)(=O)[N-]c2ccc(Br)cc2F)ccc1F ZINC000008041497 570763560 /nfs/dbraw/zinc/76/35/60/570763560.db2.gz CNSZUBDYORDKDB-UHFFFAOYSA-N -1 3 378.194 3.537 40 0 GHABHM CCc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccco2)cc1 ZINC000004301410 570971266 /nfs/dbraw/zinc/97/12/66/570971266.db2.gz MBEIPAAIJONRMZ-NJYVYQBISA-N -1 3 388.423 3.893 40 0 GHABHM CCOc1ccc(/N=c2/scc(-c3ccc([O-])c(C(N)=O)c3)n2C2CC2)cc1 ZINC000102962602 884661448 /nfs/dbraw/zinc/66/14/48/884661448.db2.gz UGGBLVKJATZPMZ-XTQSDGFTSA-N -1 3 395.484 3.987 40 0 GHABHM CC(C)c1ncc(CN2CCC[C@@H](c3cc(=O)[n-]c(-c4cccs4)n3)C2)cn1 ZINC000019454056 207123840 /nfs/dbraw/zinc/12/38/40/207123840.db2.gz LRGAVFMOTZRCKH-MRXNPFEDSA-N -1 3 395.532 3.791 40 0 GHABHM Cc1ncsc1C(=O)N1CCCC[C@H]1c1nc(-c2ccsc2)cc(=O)[n-]1 ZINC000019562172 207133993 /nfs/dbraw/zinc/13/39/93/207133993.db2.gz GDMKQCQYIXSWQD-AWEZNQCLSA-N -1 3 386.502 3.631 40 0 GHABHM CS(=O)(=O)[N-]c1ccc(C(=O)N[C@@H]2CCCc3ccccc32)cc1Cl ZINC000020495107 207198498 /nfs/dbraw/zinc/19/84/98/207198498.db2.gz XYMFLJPYUXEBAQ-MRXNPFEDSA-N -1 3 378.881 3.519 40 0 GHABHM COc1ccc(CN2CCCC[C@H]2c2ccnc([N-]c3cnccn3)n2)cc1 ZINC000072377443 208009844 /nfs/dbraw/zinc/00/98/44/208009844.db2.gz QGSCIPUMUVMOKZ-IBGZPJMESA-N -1 3 376.464 3.746 40 0 GHABHM CC(C)(C)c1ccc(-c2noc(C[N-]S(=O)(=O)Cc3ccccc3)n2)cc1 ZINC000223624182 208907278 /nfs/dbraw/zinc/90/72/78/208907278.db2.gz LDFAZBUJPXRNRH-UHFFFAOYSA-N -1 3 385.489 3.654 40 0 GHABHM Cc1noc(C)c1S(=O)(=O)[N-][C@H]1CC2(CCCCC2)Oc2ccccc21 ZINC000224209248 208921073 /nfs/dbraw/zinc/92/10/73/208921073.db2.gz AAVCIFRLTKDGRD-INIZCTEOSA-N -1 3 376.478 3.796 40 0 GHABHM Cn1ccnc1C[C@H]1CCCN(Cc2ccc(-c3ccccc3C(=O)[O-])o2)C1 ZINC000257275924 209066917 /nfs/dbraw/zinc/06/69/17/209066917.db2.gz NROJIRWDXXJZNF-MRXNPFEDSA-N -1 3 379.460 3.833 40 0 GHABHM CC(C)(C)[C@@H]1CCC2=C(C1)[C@](O)(C(F)(F)F)N(C(=O)c1ccc([O-])cc1)N2 ZINC000409095084 526647810 /nfs/dbraw/zinc/64/78/10/526647810.db2.gz HDSSESSODVCZIL-DFHBCGBQSA-N -1 3 384.398 3.917 40 0 GHABHM CC(C)C1=C[C@@]([O-])(C(F)(F)F)N(C(=O)COc2ccc(C(C)(C)C)cc2)N1 ZINC000409090031 527625371 /nfs/dbraw/zinc/62/53/71/527625371.db2.gz PWZITNSNIAVAMK-GOSISDBHSA-N -1 3 386.414 3.858 40 0 GHABHM CCCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)c(Cl)c1 ZINC000216271654 570298033 /nfs/dbraw/zinc/29/80/33/570298033.db2.gz FXXFSANMXZQLBP-UHFFFAOYSA-N -1 3 380.897 3.979 40 0 GHABHM Cc1ccc([C@@H](C)NC(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)cc1C ZINC000219286735 570351192 /nfs/dbraw/zinc/35/11/92/570351192.db2.gz VGMVVMXWYKVZAN-CYBMUJFWSA-N -1 3 380.897 3.819 40 0 GHABHM O=C([N-]c1nnc(SCCN2CCCCC2)s1)c1c(F)cccc1F ZINC000035316098 570469960 /nfs/dbraw/zinc/46/99/60/570469960.db2.gz PZWZXRFSQQSLFY-UHFFFAOYSA-N -1 3 384.477 3.647 40 0 GHABHM CCOC(=O)c1ccc(C)c([N-]S(=O)(=O)c2cc(C)c(OC)cc2C)c1 ZINC000224399227 570512115 /nfs/dbraw/zinc/51/21/15/570512115.db2.gz LZRJBJCBBWZMBG-UHFFFAOYSA-N -1 3 377.462 3.598 40 0 GHABHM O=C1CCCN1c1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)cc1 ZINC000007708201 570513224 /nfs/dbraw/zinc/51/32/24/570513224.db2.gz VHJXOFPCUFEADJ-UHFFFAOYSA-N -1 3 385.272 3.921 40 0 GHABHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc(N3CCCC3)cc2)c(Cl)c1 ZINC000224923600 570538184 /nfs/dbraw/zinc/53/81/84/570538184.db2.gz FZGBSJMEELIINT-UHFFFAOYSA-N -1 3 393.896 3.564 40 0 GHABHM O=C1CCCN1c1ccc(S(=O)(=O)[N-]c2ccc(N3CCCCC3)cc2)cc1 ZINC000012198541 570624187 /nfs/dbraw/zinc/62/41/87/570624187.db2.gz YOJHKAFEYOSZTO-UHFFFAOYSA-N -1 3 399.516 3.605 40 0 GHABHM O=c1c2c3c(c[n-]c-2nn1-c1nc2ccccc2o1)C(=O)C[C@H](c1ccccc1)C3 ZINC000013639629 570862548 /nfs/dbraw/zinc/86/25/48/570862548.db2.gz AYPVPVNRGVGDHO-CQSZACIVSA-N -1 3 396.406 3.768 40 0 GHABHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3CCC)cc1 ZINC000004936169 571014205 /nfs/dbraw/zinc/01/42/05/571014205.db2.gz GQPKHYLBDZZBAC-HBMCJLEFSA-N -1 3 394.471 3.954 40 0 GHABHM Cc1ccc(NC(=O)C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c(C)c1 ZINC000008369079 856402006 /nfs/dbraw/zinc/40/20/06/856402006.db2.gz YDGJAEMVGLRYGB-UHFFFAOYSA-N -1 3 387.288 3.527 40 0 GHABHM O=C(C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)Nc1ccccc1Cl ZINC000409142065 231170787 /nfs/dbraw/zinc/17/07/87/231170787.db2.gz QDXWELCLSNEUTD-UHFFFAOYSA-N -1 3 393.679 3.564 40 0 GHABHM Cc1cc(Cl)cc(OCC(=O)N2NC3=C(CCCC3)[C@]2([O-])C(F)(F)F)c1 ZINC000409188773 231176200 /nfs/dbraw/zinc/17/62/00/231176200.db2.gz GFZLWYJUSOPABB-BBRMVZONSA-N -1 3 390.789 3.667 40 0 GHABHM Fc1ccc(-n2c(Cn3nc(C(F)F)cc3C(F)F)n[n-]c2=S)cc1 ZINC000008782585 209134001 /nfs/dbraw/zinc/13/40/01/209134001.db2.gz NCMSXTJNVPPWHW-UHFFFAOYSA-N -1 3 375.326 3.815 40 0 GHABHM Cc1nc([C@H](Cc2c[nH]c3ccccc23)NC(=O)C2CCCCC2)cc(=O)[n-]1 ZINC000019240971 207111267 /nfs/dbraw/zinc/11/12/67/207111267.db2.gz IALHGSZJZXGEHZ-IBGZPJMESA-N -1 3 378.476 3.540 40 0 GHABHM Cc1ccc(CNc2nc(C3CCN(Cc4cccnc4)CC3)cc(=O)[n-]2)cc1 ZINC000019717504 207154670 /nfs/dbraw/zinc/15/46/70/207154670.db2.gz NGJWMCWCBGRMMF-UHFFFAOYSA-N -1 3 389.503 3.877 40 0 GHABHM Cc1ccccc1CNc1nc(C2CCN(Cc3cccnc3)CC2)cc(=O)[n-]1 ZINC000019717507 207154727 /nfs/dbraw/zinc/15/47/27/207154727.db2.gz ALOZNJZZEDQLHE-UHFFFAOYSA-N -1 3 389.503 3.877 40 0 GHABHM COc1ccc(F)cc1S(=O)(=O)[N-][C@H](C)c1cccc(Br)c1 ZINC000020030064 207174884 /nfs/dbraw/zinc/17/48/84/207174884.db2.gz MJDFYQIHUARAGF-SNVBAGLBSA-N -1 3 388.258 3.636 40 0 GHABHM CC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)N1 ZINC000032099986 207393254 /nfs/dbraw/zinc/39/32/54/207393254.db2.gz ASCFZBHWZLEXAH-ISVAXAHUSA-N -1 3 385.169 3.620 40 0 GHABHM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(N3CCCC3=O)c2)cc1Cl ZINC000038697115 207560671 /nfs/dbraw/zinc/56/06/71/207560671.db2.gz QMTLLQFFISSOIZ-UHFFFAOYSA-N -1 3 394.880 3.585 40 0 GHABHM CCCCOC(=O)c1ccc2[nH]c(=NC(=S)[N-]C(=O)CC(C)C)sc2c1 ZINC000020411586 208809584 /nfs/dbraw/zinc/80/95/84/208809584.db2.gz GFHYKEMBYQNAPV-UHFFFAOYSA-N -1 3 393.534 3.534 40 0 GHABHM Cc1ccc(C(C)C)c(OCC(=O)N2NC(C(C)C)=C[C@@]2([O-])C(F)(F)F)c1 ZINC000409053728 533636173 /nfs/dbraw/zinc/63/61/73/533636173.db2.gz HIWWBFKBIOBVGI-GOSISDBHSA-N -1 3 386.414 3.992 40 0 GHABHM CCOc1cc(C=NNc2ccc([N+](=O)[O-])cc2)cc(Br)c1[O-] ZINC000057582244 570362202 /nfs/dbraw/zinc/36/22/02/570362202.db2.gz JJYOFZVACUOFKH-MFOYZWKCSA-N -1 3 380.198 3.908 40 0 GHABHM COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccc(C(C)(C)C)cc2)c1 ZINC000223901518 570489756 /nfs/dbraw/zinc/48/97/56/570489756.db2.gz YPLRXTJZGYAFMY-UHFFFAOYSA-N -1 3 395.908 3.903 40 0 GHABHM COc1cccc(OC)c1C(=O)NC(=S)Nc1c([O-])ccc2ccccc21 ZINC000006954649 570499774 /nfs/dbraw/zinc/49/97/74/570499774.db2.gz BXJJOGCLLKALLO-UHFFFAOYSA-N -1 3 382.441 3.689 40 0 GHABHM CCOc1cc(CNCc2ccc(C(=O)[O-])cc2)cc(Br)c1OC ZINC000008253623 570525747 /nfs/dbraw/zinc/52/57/47/570525747.db2.gz TTWKEWNHZBZEDN-UHFFFAOYSA-N -1 3 394.265 3.844 40 0 GHABHM COC(=O)c1cccc([N-]S(=O)(=O)c2cc(C(C)C)c(OC)cc2C)c1 ZINC000225795640 570618115 /nfs/dbraw/zinc/61/81/15/570618115.db2.gz WCTRJVVCRRUVDW-UHFFFAOYSA-N -1 3 377.462 3.714 40 0 GHABHM O=S(=O)([N-]CCCc1ccc(F)cc1)c1ccc(Br)s1 ZINC000013673997 570771360 /nfs/dbraw/zinc/77/13/60/570771360.db2.gz IJRKVKKLBMHMLN-UHFFFAOYSA-N -1 3 378.288 3.561 40 0 GHABHM Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3)cc2)c1 ZINC000033784268 856439416 /nfs/dbraw/zinc/43/94/16/856439416.db2.gz XVWXMRRAEODVEC-UHFFFAOYSA-N -1 3 396.468 3.813 40 0 GHABHM Cc1ccc(OCC(=O)N2NC3=C(CCC[C@H]3C)[C@]2([O-])C(F)(F)F)cc1C ZINC000409179476 231175131 /nfs/dbraw/zinc/17/51/31/231175131.db2.gz OVDFLCGWCNAISM-MRAWALMUSA-N -1 3 384.398 3.568 40 0 GHABHM CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)[N-]c1cccc(C(F)(F)F)c1)C(=O)C2 ZINC000000947875 206337220 /nfs/dbraw/zinc/33/72/20/206337220.db2.gz ZLPFVDXUEVRGBT-BDJLRTHQSA-N -1 3 375.412 3.843 40 0 GHABHM CCOc1ccc(/N=c2\scc(-c3ccc([O-])c(C(N)=O)c3)n2C2CC2)cc1 ZINC000014067384 207009511 /nfs/dbraw/zinc/00/95/11/207009511.db2.gz UGGBLVKJATZPMZ-LNVKXUELSA-N -1 3 395.484 3.987 40 0 GHABHM O=C1[C@@H]2C(=C([O-])N1c1ccccc1)ON(c1ccc(Cl)cc1)[C@@H]2c1ccco1 ZINC000017920320 207091492 /nfs/dbraw/zinc/09/14/92/207091492.db2.gz CWZHOIMVEOWUSX-OTWHNJEPSA-N -1 3 394.814 3.984 40 0 GHABHM CCc1nnsc1C(=O)[N-]c1nc(-c2c[nH]c3ccc(OC)cc32)cs1 ZINC000019521912 207126230 /nfs/dbraw/zinc/12/62/30/207126230.db2.gz VAOQOWAKMFFAPB-UHFFFAOYSA-N -1 3 385.474 3.966 40 0 GHABHM CC(C)Oc1ccc(CN2CC[C@H](c3nc(-c4cccnc4)cc(=O)[n-]3)C2)cc1 ZINC000019450580 207122558 /nfs/dbraw/zinc/12/25/58/207122558.db2.gz AITRSFFJMMJJPY-IBGZPJMESA-N -1 3 390.487 3.609 40 0 GHABHM CC(C)Oc1ccc(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)cc1 ZINC000020043859 207176346 /nfs/dbraw/zinc/17/63/46/207176346.db2.gz LZVWEOYLCGBLRP-UHFFFAOYSA-N -1 3 382.869 3.751 40 0 GHABHM COC(=O)c1cc2cc(NC(=O)c3c[n-]c4ccccc4c3=O)ccc2s1 ZINC000022234077 207249689 /nfs/dbraw/zinc/24/96/89/207249689.db2.gz OKSMSVDKYMMBDE-UHFFFAOYSA-N -1 3 378.409 3.782 40 0 GHABHM COC(=O)c1cc2cc(NC(=O)c3cnc4ccccc4c3[O-])ccc2s1 ZINC000022234077 207249694 /nfs/dbraw/zinc/24/96/94/207249694.db2.gz OKSMSVDKYMMBDE-UHFFFAOYSA-N -1 3 378.409 3.782 40 0 GHABHM CS(=O)(=O)[N-]c1ccc(Cl)c(C(=O)Nc2ccc(C(F)(F)F)cc2)c1 ZINC000030855084 207375617 /nfs/dbraw/zinc/37/56/17/207375617.db2.gz RVOQFMOLVQPHLS-UHFFFAOYSA-N -1 3 392.786 3.983 40 0 GHABHM Cc1cccc(C)c1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccncc1 ZINC000096900846 208325758 /nfs/dbraw/zinc/32/57/58/208325758.db2.gz ISIBQCTYOALSME-FCEUIQTBSA-N -1 3 399.450 3.750 40 0 GHABHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2C)[C@H]3c2ccco2)cc1 ZINC000100799312 208381535 /nfs/dbraw/zinc/38/15/35/208381535.db2.gz GNDIHGXIRKDVMJ-HKBOAZHASA-N -1 3 388.423 3.948 40 0 GHABHM COc1ccc(Br)cc1S(=O)(=O)[N-]C[C@@H](C)c1ccccc1 ZINC000007309661 208724044 /nfs/dbraw/zinc/72/40/44/208724044.db2.gz YXHRZBSJXLGNRK-GFCCVEGCSA-N -1 3 384.295 3.540 40 0 GHABHM COc1ccc(-c2nc(SCC(=O)Nc3cc(Cl)ccc3[O-])n[nH]2)cc1 ZINC000408543061 533185823 /nfs/dbraw/zinc/18/58/23/533185823.db2.gz NHGUKSXRDCSFMU-UHFFFAOYSA-N -1 3 390.852 3.570 40 0 GHABHM Cc1cc(C(=O)N2CCCC[C@@H]2c2ncc(Cc3ccc(F)cc3)o2)[n-]c(=O)n1 ZINC000257258351 209062129 /nfs/dbraw/zinc/06/21/29/209062129.db2.gz KTLXXMLAMOLINF-GOSISDBHSA-N -1 3 396.422 3.576 40 0 GHABHM COc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1cccc(C(F)(F)F)c1 ZINC000107124886 570308611 /nfs/dbraw/zinc/30/86/11/570308611.db2.gz CYVGUWJBZSHFOQ-UHFFFAOYSA-N -1 3 379.787 3.846 40 0 GHABHM C[C@@H]1CC[C@@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@]12Cc1c(c3c(cc1[O-])CNC3=O)O2 ZINC000604381399 570352331 /nfs/dbraw/zinc/35/23/31/570352331.db2.gz NSKHZIOXIKSFER-OPLSMLHISA-N -1 3 385.504 3.543 40 0 biogenic,in-vitro GHABHM COCCn1c(-c2ccc([O-])c(C(N)=O)c2)cs/c1=N\c1cc(C)ccc1C ZINC000014066703 570392593 /nfs/dbraw/zinc/39/25/93/570392593.db2.gz 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ZINC000257262007 209062423 /nfs/dbraw/zinc/06/24/23/209062423.db2.gz LJQRAOYFECMUAA-MRXNPFEDSA-N -1 3 377.444 3.764 40 0 GHABHM CC(C)C1=C[C@]([O-])(C(F)(F)F)N(C(=O)c2cccc(Br)c2)N1 ZINC000409066188 527626467 /nfs/dbraw/zinc/62/64/67/527626467.db2.gz HKYDAICOAGLYNF-ZDUSSCGKSA-N -1 3 379.176 3.558 40 0 GHABHM CCC(C)(C)[C@@H]1CCC2=C(C1)[C@@]([O-])(C(F)(F)F)N(C(=O)c1cccnc1)N2 ZINC000409359961 528595129 /nfs/dbraw/zinc/59/51/29/528595129.db2.gz OKYPQKTUWXSONL-QWQRMKEZSA-N -1 3 383.414 3.997 40 0 GHABHM O=c1[n-]c(N2CCCC2)nc2c1CCN(Cc1ccc(-c3ccccc3)cc1)C2 ZINC000012182548 570619794 /nfs/dbraw/zinc/61/97/94/570619794.db2.gz UXNMEITXPTVRGT-UHFFFAOYSA-N -1 3 386.499 3.595 40 0 GHABHM O=C([O-])c1ccccc1-c1ccc(CN2CCC[C@H](Cc3ncccn3)C2)o1 ZINC000585177733 570714081 /nfs/dbraw/zinc/71/40/81/570714081.db2.gz CCVKHRDWGNOIAW-MRXNPFEDSA-N -1 3 377.444 3.890 40 0 GHABHM CCOC(=O)[C@H](C)Sc1nnc(-c2ccccc2[O-])n1-c1ccc(C)cc1 ZINC000013123829 570831724 /nfs/dbraw/zinc/83/17/24/570831724.db2.gz 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COc1ccc([C@@H](Cc2cc(=O)[n-]c(C3CCC3)n2)NC(=O)C2CCCC2)cc1 ZINC000019553285 207133423 /nfs/dbraw/zinc/13/34/23/207133423.db2.gz RCGSJWGNBYAFIJ-HXUWFJFHSA-N -1 3 395.503 3.636 40 0 GHABHM Cc1c(-c2csc([N-]C(=O)c3cc(-c4cccc(F)c4)no3)n2)cnn1C ZINC000019667008 207148893 /nfs/dbraw/zinc/14/88/93/207148893.db2.gz CJVNEPKLZQELOU-UHFFFAOYSA-N -1 3 383.408 3.898 40 0 GHABHM CCC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)CSCc2ccccc2Cl)N1 ZINC000020058529 207175709 /nfs/dbraw/zinc/17/57/09/207175709.db2.gz OSPMPDSAZPNSEW-CQSZACIVSA-N -1 3 380.819 3.822 40 0 GHABHM Cc1noc(C2(C)CCN(Cc3ccc(-c4ccccc4C(=O)[O-])o3)CC2)n1 ZINC000257265048 209063430 /nfs/dbraw/zinc/06/34/30/209063430.db2.gz LXCCIWFAOQAHKV-UHFFFAOYSA-N -1 3 381.432 3.890 40 0 GHABHM CCC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(OC)c(Cl)c2)ccc1OC ZINC000408697911 528425322 /nfs/dbraw/zinc/42/53/22/528425322.db2.gz MQGMGZFGUKHKKW-UHFFFAOYSA-N -1 3 398.868 3.507 40 0 GHABHM CCOC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(CC)cc2)ccc1OC ZINC000408585804 529107073 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CCc1ccc([C@]2(O)C=C(C(F)(F)F)NN2C(=O)c2ccccc2[O-])cc1 ZINC000000783870 570709604 /nfs/dbraw/zinc/70/96/04/570709604.db2.gz LWUKVCGJQBUSRO-GOSISDBHSA-N -1 3 378.350 3.564 40 0 GHABHM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cc(Cl)ccc2OC)c1 ZINC000062187917 570744607 /nfs/dbraw/zinc/74/46/07/570744607.db2.gz FITPPIBZCSSMNI-UHFFFAOYSA-N -1 3 390.244 3.589 40 0 GHABHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3CCC)cc1 ZINC000004936166 571014181 /nfs/dbraw/zinc/01/41/81/571014181.db2.gz GQPKHYLBDZZBAC-NJYVYQBISA-N -1 3 394.471 3.954 40 0 GHABHM Cc1cc(S(=O)(=O)[N-]c2ccccc2)ccc1OCC(=O)Nc1ccccc1 ZINC000007361722 856393027 /nfs/dbraw/zinc/39/30/27/856393027.db2.gz PGJSBFDJPNQYQZ-UHFFFAOYSA-N -1 3 396.468 3.813 40 0 GHABHM Cc1cc(C)c(OCC(=O)N2NC3=C(CCC[C@H]3C)[C@]2([O-])C(F)(F)F)c(C)c1 ZINC000409179766 231175539 /nfs/dbraw/zinc/17/55/39/231175539.db2.gz NQMSSJSJKABNBS-PEELUZDISA-N -1 3 398.425 3.876 40 0 GHABHM O=C(Cc1ccc(F)cc1)N1CCCC[C@@H]1c1nc(-c2ccsc2)cc(=O)[n-]1 ZINC000019333324 210242155 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COc1cccc(-c2cc(C(=O)[N-]c3nc(-c4cnn(C)c4C)cs3)on2)c1 ZINC000019666743 210280960 /nfs/dbraw/zinc/28/09/60/210280960.db2.gz FCENSZNKVBXQHD-UHFFFAOYSA-N -1 3 395.444 3.768 40 0 GHABHM COc1cc(/C=C2\SC(Nc3ccccc3F)NC2=O)cc(Cl)c1[O-] ZINC000408801904 533475309 /nfs/dbraw/zinc/47/53/09/533475309.db2.gz WRADLMXSSBNECN-UHFFFAOYSA-N -1 3 379.820 3.956 40 0 GHABHM Cc1cc(CN2CCc3c(=O)[n-]c(N4CCC[C@H](C)C4)nc3C2)c(C)n1C1CC1 ZINC000072335630 136168453 /nfs/dbraw/zinc/16/84/53/136168453.db2.gz RNWIBJDZHZCFTL-HNNXBMFYSA-N -1 3 395.551 3.730 40 0 GHABHM CCC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2C)ccc1OC ZINC000408699875 528424441 /nfs/dbraw/zinc/42/44/41/528424441.db2.gz ZVLUBLWCPRXANF-UHFFFAOYSA-N -1 3 382.869 3.806 40 0 GHABHM CCC(C)(C)[C@@H]1CCC2=C(C1)[C@]([O-])(C(F)(F)F)N(C(=O)c1ccncc1)N2 ZINC000409352400 528595289 /nfs/dbraw/zinc/59/52/89/528595289.db2.gz YSDQEZCFTNNIMK-LBTNJELSSA-N -1 3 383.414 3.997 40 0 GHABHM O=C([O-])c1ccc(CN2C[C@@H](c3ccccc3F)[C@]3(C2)CCCCC(=O)N3)cc1 ZINC000585261672 570228453 /nfs/dbraw/zinc/22/84/53/570228453.db2.gz RBRLLEYHSPLSGB-WMZHIEFXSA-N -1 3 396.462 3.552 40 0 GHABHM CC(C)CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000216356662 570299755 /nfs/dbraw/zinc/29/97/55/570299755.db2.gz YAEQKKZGOMOLET-UHFFFAOYSA-N -1 3 380.897 3.917 40 0 GHABHM Cc1ccc([C@H](C)NC(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)cc1C ZINC000219286764 570350998 /nfs/dbraw/zinc/35/09/98/570350998.db2.gz VGMVVMXWYKVZAN-ZDUSSCGKSA-N -1 3 380.897 3.819 40 0 GHABHM COc1ccc([N-]S(=O)(=O)c2ccc(SC)c(NC(=O)C(C)C)c2)cc1 ZINC000222782477 570425493 /nfs/dbraw/zinc/42/54/93/570425493.db2.gz IFYLHQZBINOTEI-UHFFFAOYSA-N -1 3 394.518 3.812 40 0 GHABHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C\c3ccco3)SC2=S)c(Cl)c1 ZINC000008369838 570485645 /nfs/dbraw/zinc/48/56/45/570485645.db2.gz KMUHNRBGNOMFNZ-MDWZMJQESA-N -1 3 378.862 3.788 40 0 GHABHM CCOC(=O)c1cc([N-]S(=O)(=O)c2cc(C)c(OC)cc2C)ccc1Cl ZINC000224445781 570513545 /nfs/dbraw/zinc/51/35/45/570513545.db2.gz MGYIVBPAUBOHBW-UHFFFAOYSA-N -1 3 397.880 3.943 40 0 GHABHM Cc1cc(C(=O)Nc2ccc(OC(F)(F)F)cc2)ccc1[N-]S(C)(=O)=O ZINC000224872587 570535601 /nfs/dbraw/zinc/53/56/01/570535601.db2.gz BHDXTVJNMROGMS-UHFFFAOYSA-N -1 3 388.367 3.517 40 0 GHABHM CCOc1ccccc1CCC[N-]S(=O)(=O)c1cc(Cl)ccc1OC ZINC000224961337 570539983 /nfs/dbraw/zinc/53/99/83/570539983.db2.gz CZXDHKLSNKJTRI-UHFFFAOYSA-N -1 3 383.897 3.658 40 0 GHABHM Cc1cc(C)cc(NC(=O)C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000008335671 856402112 /nfs/dbraw/zinc/40/21/12/856402112.db2.gz AXMJPMNKKJILJQ-UHFFFAOYSA-N -1 3 387.288 3.527 40 0 GHABHM Cc1c(-c2cc(C(=O)[N-]c3nc(-c4ccccc4F)cs3)on2)cnn1C ZINC000019554271 210260675 /nfs/dbraw/zinc/26/06/75/210260675.db2.gz AZRJFFQKROWCNK-UHFFFAOYSA-N -1 3 383.408 3.898 40 0 GHABHM O=C(CSc1n[n-]c(COc2ccccc2F)n1)Nc1ccc(Cl)cc1 ZINC000409386715 231199760 /nfs/dbraw/zinc/19/97/60/231199760.db2.gz WWJRYPFWOOPFIU-UHFFFAOYSA-N -1 3 392.843 3.907 40 0 GHABHM O=C(c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)N1CCc2ccccc21 ZINC000015563592 210159159 /nfs/dbraw/zinc/15/91/59/210159159.db2.gz LRWNLEJBSWYFMK-UHFFFAOYSA-N -1 3 396.443 3.829 40 0 GHABHM COc1ccc(Cl)c([N-]S(=O)(=O)c2cccc(Br)c2)c1 ZINC000043319113 209194514 /nfs/dbraw/zinc/19/45/14/209194514.db2.gz CZQLKWFRIZEFQR-UHFFFAOYSA-N -1 3 376.659 3.912 40 0 GHABHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3CCC)cc1 ZINC000100531058 211389185 /nfs/dbraw/zinc/38/91/85/211389185.db2.gz GQPKHYLBDZZBAC-ACRUOGEOSA-N -1 3 394.471 3.954 40 0 GHABHM Cc1nc2c(c(=O)[n-]1)[C@@H](c1c(F)cccc1Cl)c1cc3c(cc1O2)OCO3 ZINC000072408134 211113330 /nfs/dbraw/zinc/11/33/30/211113330.db2.gz CRXVQUGMZZRQGZ-OAHLLOKOSA-N -1 3 386.766 3.885 40 0 GHABHM Cc1nc([C@H]2CCCN2C(=O)[C@@H]2CC=CCC2)[n-]c(=O)c1Cc1ccccc1 ZINC000019579180 210271142 /nfs/dbraw/zinc/27/11/42/210271142.db2.gz JXTWTRFSKZJMIR-UYAOXDASSA-N -1 3 377.488 3.689 40 0 GHABHM COc1ccc2cnc(C3CCN(CC(=O)c4cncc([O-])c4)CC3)cc2c1C ZINC000019582763 210270614 /nfs/dbraw/zinc/27/06/14/210270614.db2.gz RXZTZSJDSKBEBB-UHFFFAOYSA-N -1 3 391.471 3.715 40 0 GHABHM Cc1cc(C(=O)N[C@@H](Cc2cc(=O)[n-]c(C3CC3)n2)c2ccc(F)cc2)cs1 ZINC000019571964 210268323 /nfs/dbraw/zinc/26/83/23/210268323.db2.gz NBIBZRVCLNPMAN-SFHVURJKSA-N -1 3 397.475 3.870 40 0 GHABHM CCNC(=O)c1cc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)ccc1C ZINC000408601331 528228974 /nfs/dbraw/zinc/22/89/74/528228974.db2.gz FQTBTKRNHCLFEE-UHFFFAOYSA-N -1 3 387.288 3.852 40 0 GHABHM Cc1ccc(-n2c(O)c3n(-c4ccccc4)[n-]c(-c4ccco4)c-3c2=O)cc1C ZINC000101460695 570283555 /nfs/dbraw/zinc/28/35/55/570283555.db2.gz DUAZFZNBTWKWRO-CTNGQTDRSA-N -1 3 385.423 3.679 40 0 GHABHM Cc1ccc(C)c([C@H](C)NC(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)c1 ZINC000022533430 570321112 /nfs/dbraw/zinc/32/11/12/570321112.db2.gz UBGXIJPTIBPBME-ZDUSSCGKSA-N -1 3 380.897 3.819 40 0 GHABHM O=C(c1cccc([O-])c1)N1N=C(c2ccc(Cl)cc2)C[C@@]1(O)C(F)(F)F ZINC000004163648 570360464 /nfs/dbraw/zinc/36/04/64/570360464.db2.gz MLOXMUHPMMQXIY-MRXNPFEDSA-N -1 3 384.741 3.547 40 0 GHABHM CC(C)n1c2ccc([N-]S(=O)(=O)Cc3ccccc3F)cc2sc1=O ZINC000225154668 570552096 /nfs/dbraw/zinc/55/20/96/570552096.db2.gz XAPFIMCFRUFYRS-UHFFFAOYSA-N -1 3 380.466 3.725 40 0 GHABHM Cc1cc(C)c([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)c(C)c1 ZINC000225240641 570558829 /nfs/dbraw/zinc/55/88/29/570558829.db2.gz ZYYKQRHHFVNMQI-UHFFFAOYSA-N -1 3 384.501 3.712 40 0 GHABHM Cn1c(=O)sc2cc(S(=O)(=O)[N-]c3cccc(Cl)c3Cl)ccc21 ZINC000225676262 570602121 /nfs/dbraw/zinc/60/21/21/570602121.db2.gz XSDUEHCRAAKKTD-UHFFFAOYSA-N -1 3 389.285 3.708 40 0 GHABHM CC(C)n1c(=O)sc2cc(S(=O)(=O)[N-]c3ccc(F)cc3F)ccc21 ZINC000225707133 570606490 /nfs/dbraw/zinc/60/64/90/570606490.db2.gz BXSNXIJGZVLDKP-UHFFFAOYSA-N -1 3 384.429 3.723 40 0 GHABHM C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1nnc([N-]C(=O)c2cccs2)s1 ZINC000004410393 570629436 /nfs/dbraw/zinc/62/94/36/570629436.db2.gz FTZCRFSVPYTWDD-GHMZBOCLSA-N -1 3 396.563 3.734 40 0 GHABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(I)cc2C)cc1 ZINC000005557785 570733913 /nfs/dbraw/zinc/73/39/13/570733913.db2.gz CKVDQEKGXIGWKQ-UHFFFAOYSA-N -1 3 387.242 3.709 40 0 GHABHM COc1cccc(CN2CCCC[C@H]2c2cc(=O)[n-]c(-c3cccnc3)n2)c1 ZINC000019565231 210264904 /nfs/dbraw/zinc/26/49/04/210264904.db2.gz AYRHASJNQBFAIH-FQEVSTJZSA-N -1 3 376.460 3.980 40 0 GHABHM CC(C)Oc1ccc(CN2CC[C@@H](c3cc(=O)[n-]c(-c4ccccn4)n3)C2)cc1 ZINC000019450570 210249332 /nfs/dbraw/zinc/24/93/32/210249332.db2.gz MICKLBNNBLSUCG-GOSISDBHSA-N -1 3 390.487 3.609 40 0 GHABHM CCc1ccc(NC(=O)CSc2nnc(-c3ccccc3[O-])n2CC)cc1 ZINC000409411924 529676470 /nfs/dbraw/zinc/67/64/70/529676470.db2.gz NOUJDYFLCJZQPQ-UHFFFAOYSA-N -1 3 382.489 3.964 40 0 GHABHM CCc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)N(CC)CC)cc2)cc1 ZINC000408562069 529688638 /nfs/dbraw/zinc/68/86/38/529688638.db2.gz MPGIHJQCMVYUIQ-UHFFFAOYSA-N -1 3 375.494 3.924 40 0 GHABHM CSCC[C@@H](NC(=O)OC(C)(C)C)c1cc(=O)[n-]c(-c2cccnc2)n1 ZINC000019083239 210226212 /nfs/dbraw/zinc/22/62/12/210226212.db2.gz MLOGUWSMQOLGMU-CYBMUJFWSA-N -1 3 376.482 3.563 40 0 GHABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)Nc1ccccc1 ZINC000016489318 210191482 /nfs/dbraw/zinc/19/14/82/210191482.db2.gz DILKGWLECFBHGI-UHFFFAOYSA-N -1 3 382.441 3.505 40 0 GHABHM CC[C@H](NC(=O)c1ccc([N-]S(C)(=O)=O)c(Cl)c1)c1ccc(OC)cc1 ZINC000020107755 210316877 /nfs/dbraw/zinc/31/68/77/210316877.db2.gz AXCQPOJALPDJES-INIZCTEOSA-N -1 3 396.896 3.601 40 0 GHABHM Cc1ccccc1OCC(=O)[N-]C(=S)Nc1nc2ccc(F)cc2s1 ZINC000408627125 534825517 /nfs/dbraw/zinc/82/55/17/534825517.db2.gz KLQFOXIVYHZILA-UHFFFAOYSA-N -1 3 375.450 3.636 40 0 GHABHM Cc1[n-]n(-c2ccccc2)c(=O)c1[C@H](c1ccc2c(c1)OCO2)N1CCCCC1 ZINC000103702615 528152278 /nfs/dbraw/zinc/15/22/78/528152278.db2.gz PUJSOUOYRDPRTO-YADHBBJMSA-N -1 3 391.471 3.981 40 0 GHABHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2F)cc1NC(=O)CC ZINC000408698049 528587904 /nfs/dbraw/zinc/58/79/04/528587904.db2.gz NCJBZFDEQIZSKD-UHFFFAOYSA-N -1 3 384.404 3.513 40 0 GHABHM Cc1ccc(-n2c(O)c3n(-c4ccccc4)[n-]c(-c4ccco4)c-3c2=O)cc1C ZINC000101460697 570283585 /nfs/dbraw/zinc/28/35/85/570283585.db2.gz DUAZFZNBTWKWRO-PZJWPPBQSA-N -1 3 385.423 3.679 40 0 GHABHM O=S(=O)([N-]CCOc1ccc(Cl)cc1)c1ccc(Br)s1 ZINC000022277004 570311875 /nfs/dbraw/zinc/31/18/75/570311875.db2.gz CRFMZNFRCWAACY-UHFFFAOYSA-N -1 3 396.715 3.521 40 0 GHABHM CN(C(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccccc1 ZINC000222678352 570420440 /nfs/dbraw/zinc/42/04/40/570420440.db2.gz IZMKSPKTHVXZOU-UHFFFAOYSA-N -1 3 396.468 3.529 40 0 GHABHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C)c(N3CCCC3=O)c2)cc1C ZINC000005329592 570434414 /nfs/dbraw/zinc/43/44/14/570434414.db2.gz RFJYBZDBQFGUPU-UHFFFAOYSA-N -1 3 388.489 3.548 40 0 GHABHM CC[C@@H](NC(=O)c1ccc([N-]S(C)(=O)=O)cc1)c1ccc2c(c1)CCCC2 ZINC000223054498 570440190 /nfs/dbraw/zinc/44/01/90/570440190.db2.gz JZAQHIJRPDRAII-HXUWFJFHSA-N -1 3 386.517 3.818 40 0 GHABHM COc1cc(C(=S)N2CCN(c3cccc(Cl)c3)CC2)cc(OC)c1[O-] ZINC000009188004 570550846 /nfs/dbraw/zinc/55/08/46/570550846.db2.gz BFGWQLGNYJRIQK-UHFFFAOYSA-N -1 3 392.908 3.561 40 0 GHABHM O=C1[C@@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@@H]2c1cccs1 ZINC000101996587 570718378 /nfs/dbraw/zinc/71/83/78/570718378.db2.gz CTKZRGNTAQNXDM-OTWHNJEPSA-N -1 3 376.437 3.799 40 0 GHABHM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3cc(Cl)ccc3Cl)ccc21 ZINC000006073655 570737802 /nfs/dbraw/zinc/73/78/02/570737802.db2.gz BXYHRQXBDOXTEE-UHFFFAOYSA-N -1 3 385.272 3.703 40 0 GHABHM Cc1cc(NC(=S)NC(=O)c2cccc(F)c2)cc(Br)c1[O-] ZINC000226243698 570935526 /nfs/dbraw/zinc/93/55/26/570935526.db2.gz NVBVMZITUVAYRY-UHFFFAOYSA-N -1 3 383.242 3.729 40 0 GHABHM COc1ccc(CN2CCCC[C@H]2c2cc(=O)[n-]c(-c3ccccn3)n2)cc1 ZINC000019555281 210260722 /nfs/dbraw/zinc/26/07/22/210260722.db2.gz YMVHCQYSFWURBL-FQEVSTJZSA-N -1 3 376.460 3.568 40 0 GHABHM CC(C)c1nc(C[C@@H](NC(=O)c2cccc(F)c2)c2ccc(F)cc2)cc(=O)[n-]1 ZINC000019453526 210251495 /nfs/dbraw/zinc/25/14/95/210251495.db2.gz WGWMVQQHQBASMY-LJQANCHMSA-N -1 3 397.425 3.885 40 0 GHABHM C[C@@H]1CCC2=C(C1)[C@]([O-])(C(F)(F)F)N(C(=O)CSCc1ccccc1)N2 ZINC000409350979 231194766 /nfs/dbraw/zinc/19/47/66/231194766.db2.gz VCZPOHDCTFAKND-MRRJBJDNSA-N -1 3 386.439 3.805 40 0 GHABHM Cn1cncc1-c1cccc(C2CCN(Cc3cccc(C(=O)[O-])c3)CC2)n1 ZINC000257327446 212026912 /nfs/dbraw/zinc/02/69/12/212026912.db2.gz XBKFJWOHOVKUTN-UHFFFAOYSA-N -1 3 376.460 3.560 40 0 GHABHM C[C@H]1C[C@H]1C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(C1CCCCC1)C2 ZINC000096319726 211332502 /nfs/dbraw/zinc/33/25/02/211332502.db2.gz JCOVILCFVSITPQ-QKYXUNIQSA-N -1 3 398.551 3.583 40 0 GHABHM Cc1nc2c(c([N-]c3nccs3)n1)CN(C(=O)CCc1ccccc1)CC2 ZINC000072380810 211107078 /nfs/dbraw/zinc/10/70/78/211107078.db2.gz TWMZCCMQSQUEGY-UHFFFAOYSA-N -1 3 379.489 3.503 40 0 GHABHM CCOC(=O)c1c(C)c(C(=O)CC)sc1[N-]C(=O)c1cc(C2CC2)on1 ZINC000020572802 210347567 /nfs/dbraw/zinc/34/75/67/210347567.db2.gz KAROUZWKRAAUCX-UHFFFAOYSA-N -1 3 376.434 3.944 40 0 GHABHM CC(C)c1ccc(CCNC(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)cc1 ZINC000020459568 210337328 /nfs/dbraw/zinc/33/73/28/210337328.db2.gz DUTROQROOXSQKU-UHFFFAOYSA-N -1 3 394.924 3.807 40 0 GHABHM Cc1ccc([C@@H](C)NC(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)c(C)c1 ZINC000020034933 210312403 /nfs/dbraw/zinc/31/24/03/210312403.db2.gz KEQXUEXACHYKCR-CYBMUJFWSA-N -1 3 380.897 3.819 40 0 GHABHM O=C(Cc1cnc(-c2ccc(Cl)cc2)[n-]c1=O)N[C@@H]1CCCc2ccccc21 ZINC000019937734 210309415 /nfs/dbraw/zinc/30/94/15/210309415.db2.gz IEOCJMURUXOZLC-LJQANCHMSA-N -1 3 393.874 3.827 40 0 GHABHM CC(C)CNC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2F)cc1 ZINC000408598368 528050246 /nfs/dbraw/zinc/05/02/46/528050246.db2.gz ZMLLVCIGXLZTBZ-UHFFFAOYSA-N -1 3 383.420 3.543 40 0 GHABHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)c(Cl)c1 ZINC000216255594 570298021 /nfs/dbraw/zinc/29/80/21/570298021.db2.gz MAEMBENVHHLQPO-UHFFFAOYSA-N -1 3 392.786 3.983 40 0 GHABHM O=S(=O)(Cc1ccc(Cl)c(Cl)c1)[N-]Cc1nc(-c2ccccc2)no1 ZINC000223647070 570476784 /nfs/dbraw/zinc/47/67/84/570476784.db2.gz GAVNPFNJMFKGLC-UHFFFAOYSA-N -1 3 398.271 3.663 40 0 GHABHM COc1ccc(Br)cc1S(=O)(=O)[N-]CCCc1ccc(C)cc1 ZINC000225620488 570595271 /nfs/dbraw/zinc/59/52/71/570595271.db2.gz GSMREBOVUZKXGO-UHFFFAOYSA-N -1 3 398.322 3.677 40 0 GHABHM CC(C)(C)[C@@H]1CCC2=C(C1)[C@@](O)(C(F)(F)F)N(C(=O)c1ccccc1[O-])N2 ZINC000409103634 570698328 /nfs/dbraw/zinc/69/83/28/570698328.db2.gz DQSWRRAAEPVBHN-AEDCBLDQSA-N -1 3 384.398 3.917 40 0 GHABHM O=C(NC(=S)N=c1[nH]c2ccc([O-])cc2s1)c1ccc(Cl)c(Cl)c1 ZINC000017081420 570919409 /nfs/dbraw/zinc/91/94/09/570919409.db2.gz KTCQIFHYHOZFNR-UHFFFAOYSA-N -1 3 398.296 3.857 40 0 GHABHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(NC(C)=O)c2)cc1C(C)C ZINC000193441165 570938132 /nfs/dbraw/zinc/93/81/32/570938132.db2.gz MUJXLRIYGDKVCA-UHFFFAOYSA-N -1 3 376.478 3.886 40 0 GHABHM COC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C(C)C)cc2)cc1Cl ZINC000006347294 856379793 /nfs/dbraw/zinc/37/97/93/856379793.db2.gz FXWYWVDIPGHGGR-UHFFFAOYSA-N -1 3 397.880 3.816 40 0 GHABHM N[C@@H](c1nc(-c2cc(Br)ccc2[O-])n[nH]1)c1ccc(Cl)cc1 ZINC000095533993 860614303 /nfs/dbraw/zinc/61/43/03/860614303.db2.gz SZGPTYOCIUKHFI-CYBMUJFWSA-N -1 3 379.645 3.641 40 0 GHABHM COc1ccc([C@H](Cc2cc(=O)[n-]c(C3CCC3)n2)NC(=O)C2CCCC2)cc1 ZINC000019553288 210262414 /nfs/dbraw/zinc/26/24/14/210262414.db2.gz RCGSJWGNBYAFIJ-FQEVSTJZSA-N -1 3 395.503 3.636 40 0 GHABHM C[C@@H]1CC[C@@H]2[C@@H](C1)c1c([O-])c(C(=O)N3CCCN(C)CC3)ccc1OC2(C)C ZINC000257216293 212004577 /nfs/dbraw/zinc/00/45/77/212004577.db2.gz CTWNSZRVLUPMIY-KBAYOESNSA-N -1 3 386.536 3.861 40 0 GHABHM Cc1noc([C@]2(C)CCCN(Cc3ccc(-c4ccccc4C(=O)[O-])o3)C2)n1 ZINC000257210281 212003686 /nfs/dbraw/zinc/00/36/86/212003686.db2.gz BTYLJCDLIFKYGO-OAQYLSRUSA-N -1 3 381.432 3.890 40 0 GHABHM COc1cccc(-c2cc(C(=O)[N-]c3nc(-c4cn(C)nc4C)cs3)on2)c1 ZINC000019718583 210289467 /nfs/dbraw/zinc/28/94/67/210289467.db2.gz MKPPXMNRSLNIGG-UHFFFAOYSA-N -1 3 395.444 3.768 40 0 GHABHM O=C(CSc1n[n-]c(COc2ccc(Cl)cc2)n1)Nc1ccc(F)cc1 ZINC000021112684 570291696 /nfs/dbraw/zinc/29/16/96/570291696.db2.gz NKFJCFUSSDPSPQ-UHFFFAOYSA-N -1 3 392.843 3.907 40 0 GHABHM CC(C)CCc1cc(=O)[n-]c(N2CCN(c3cccc(C(F)(F)F)c3)CC2)n1 ZINC000022448994 570317202 /nfs/dbraw/zinc/31/72/02/570317202.db2.gz DLTRBGTWUSADSR-UHFFFAOYSA-N -1 3 394.441 3.704 40 0 GHABHM COC(=O)c1cc([N-]S(=O)(=O)c2cc(C)c(OC)cc2C)ccc1Cl ZINC000224131600 570500195 /nfs/dbraw/zinc/50/01/95/570500195.db2.gz MXBNJXZLMCITRY-UHFFFAOYSA-N -1 3 383.853 3.553 40 0 GHABHM O=C(Nc1ccccc1[O-])C1C(=O)C(=O)N(c2ccccc2)[C@H]1c1ccccc1 ZINC000033752600 570528564 /nfs/dbraw/zinc/52/85/64/570528564.db2.gz PWHYCWFYWKYDMW-FQEVSTJZSA-N -1 3 386.407 3.931 40 0 GHABHM Cc1ccc(CC(=O)N2CCC[C@@H](c3nc(-c4ccccn4)cc(=O)[n-]3)C2)cc1 ZINC000012256780 570631390 /nfs/dbraw/zinc/63/13/90/570631390.db2.gz DAFSWYDSUMVIKA-GOSISDBHSA-N -1 3 388.471 3.501 40 0 GHABHM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3cccc(Cl)c3Cl)ccc21 ZINC000006073656 570737787 /nfs/dbraw/zinc/73/77/87/570737787.db2.gz GQEGCCUUCMBMRE-UHFFFAOYSA-N -1 3 385.272 3.703 40 0 GHABHM O=C(COc1ccccc1)[N-]C(=S)Nc1nc2ccc(Cl)cc2s1 ZINC000006885400 570753042 /nfs/dbraw/zinc/75/30/42/570753042.db2.gz CDKJNDUPSRKTGN-UHFFFAOYSA-N -1 3 377.878 3.842 40 0 GHABHM O=S(=O)([N-]c1ccc(N2CCCC2)cc1)c1ccc(Br)cc1 ZINC000016098906 570910132 /nfs/dbraw/zinc/91/01/32/570910132.db2.gz KDTMBTGZKAMZOB-UHFFFAOYSA-N -1 3 381.295 3.850 40 0 GHABHM O=C(NC(=S)N=c1[nH]c2ccc([O-])cc2s1)c1ccc(Cl)cc1Cl ZINC000017081418 570919026 /nfs/dbraw/zinc/91/90/26/570919026.db2.gz ROOCHMJRQQASTF-UHFFFAOYSA-N -1 3 398.296 3.857 40 0 GHABHM Cc1ccc(OCc2ccc(C(=O)Nc3ccc4c(c3)C(=O)[N-]C4=O)cc2)cc1 ZINC000006479690 856381594 /nfs/dbraw/zinc/38/15/94/856381594.db2.gz KPGWUZAUTWAHLZ-UHFFFAOYSA-N -1 3 386.407 3.710 40 0 GHABHM O=C(Cc1ccccc1F)N1CCCC[C@H]1c1nc(-c2ccsc2)cc(=O)[n-]1 ZINC000019348145 210244871 /nfs/dbraw/zinc/24/48/71/210244871.db2.gz SRXGLGQELBFNDL-SFHVURJKSA-N -1 3 397.475 3.934 40 0 GHABHM Cc1cc(C)c(OCC(=O)N2NC3=C(CCC[C@H]3C)[C@@]2([O-])C(F)(F)F)c(C)c1 ZINC000409179760 231175344 /nfs/dbraw/zinc/17/53/44/231175344.db2.gz NQMSSJSJKABNBS-KPAZRMRSSA-N -1 3 398.425 3.876 40 0 GHABHM O=c1cc(C[C@@H](NCc2cccnc2)c2ccc(F)cc2)nc(C2CCC2)[n-]1 ZINC000019339686 210241271 /nfs/dbraw/zinc/24/12/71/210241271.db2.gz IDJAGNMYSXUWBK-HXUWFJFHSA-N -1 3 378.451 3.645 40 0 GHABHM O=c1[n-]c(N2CCCCC2)nc2c1CCN(Cc1ccc(Cl)c(Cl)c1)C2 ZINC000019292974 210239866 /nfs/dbraw/zinc/23/98/66/210239866.db2.gz CPSPTGZJJIUKEQ-UHFFFAOYSA-N -1 3 393.318 3.625 40 0 GHABHM Cc1nc([C@@H](Cc2c[nH]c3ccccc23)NCc2ccc(F)cc2)cc(=O)[n-]1 ZINC000019285165 210234781 /nfs/dbraw/zinc/23/47/81/210234781.db2.gz ZSNOYKJJTYAAEC-HXUWFJFHSA-N -1 3 376.435 3.772 40 0 GHABHM CCC(=O)N(c1ccccc1)C1(C(=O)[O-])CCN(CCc2ccccc2)CC1 ZINC000002244176 209352856 /nfs/dbraw/zinc/35/28/56/209352856.db2.gz OMCWIVZSDHKRRQ-UHFFFAOYSA-N -1 3 380.488 3.592 40 0 GHABHM Cc1ccc(C2=NN(C(=O)c3cccc(C)c3[O-])[C@@](O)(C(F)(F)F)C2)cc1 ZINC000000910732 209278302 /nfs/dbraw/zinc/27/83/02/209278302.db2.gz DFXCDYCGABHIFR-SFHVURJKSA-N -1 3 378.350 3.510 40 0 GHABHM O=C1[C@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@H]2c1ccccc1 ZINC000100917673 211392845 /nfs/dbraw/zinc/39/28/45/211392845.db2.gz MPPRMKQPZPPZQF-HKBOAZHASA-N -1 3 388.398 3.877 40 0 GHABHM O=C(c1ccc(Cl)cc1)N1CCC[C@@H](c2ccnc([N-]c3cnccn3)n2)C1 ZINC000072377549 211104749 /nfs/dbraw/zinc/10/47/49/211104749.db2.gz ZLIKTWZXYDPOGB-OAHLLOKOSA-N -1 3 394.866 3.683 40 0 GHABHM COc1ccc(F)cc1S(=O)(=O)[N-][C@@H](C)c1cccc(Br)c1 ZINC000020030063 210312124 /nfs/dbraw/zinc/31/21/24/210312124.db2.gz MJDFYQIHUARAGF-JTQLQIEISA-N -1 3 388.258 3.636 40 0 GHABHM CC(C)(C)[C@@H]1CCC2=C(C1)[C@@]([O-])(C(F)(F)F)N(C(=O)COc1ccccc1)N2 ZINC000409085629 526648140 /nfs/dbraw/zinc/64/81/40/526648140.db2.gz DZOWTCIRSRTAIJ-ZXYWRSMDSA-N -1 3 398.425 3.977 40 0 GHABHM CCC(=O)Nc1cc(S(=O)(=O)[N-]c2c(C)cccc2CC)ccc1OC ZINC000408697927 528424312 /nfs/dbraw/zinc/42/43/12/528424312.db2.gz MWGDXRGFOKJTPY-UHFFFAOYSA-N -1 3 376.478 3.715 40 0 GHABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2F)cc1C(=O)N1CCCCC1 ZINC000007604451 570429710 /nfs/dbraw/zinc/42/97/10/570429710.db2.gz RHAKZABONZJXDH-UHFFFAOYSA-N -1 3 394.443 3.700 40 0 GHABHM O=S(=O)(Cc1c(F)cccc1Cl)[N-]CCOc1ccc(Cl)cc1 ZINC000224180818 570502613 /nfs/dbraw/zinc/50/26/13/570502613.db2.gz KYERUUPACQTKFQ-UHFFFAOYSA-N -1 3 378.252 3.631 40 0 GHABHM CCS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)cc1 ZINC000224958465 570539877 /nfs/dbraw/zinc/53/98/77/570539877.db2.gz HLIRYXDYHQTLSG-UHFFFAOYSA-N -1 3 387.505 3.691 40 0 GHABHM O=C([N-]n1c(=O)c2ccc(Cl)cc2nc1-c1cccs1)c1ccncc1 ZINC000035315594 570551564 /nfs/dbraw/zinc/55/15/64/570551564.db2.gz LHSZVTYQZSWCHD-UHFFFAOYSA-N -1 3 382.832 3.557 40 0 GHABHM O=c1c2c3c(c[n-]c-2nn1-c1nc2ccccc2o1)C(=O)C[C@@H](c1ccccc1)C3 ZINC000013639627 570862886 /nfs/dbraw/zinc/86/28/86/570862886.db2.gz AYPVPVNRGVGDHO-AWEZNQCLSA-N -1 3 396.406 3.768 40 0 GHABHM C[C@@H]1CCC2=C(C1)[C@]([O-])(C(F)(F)F)N(C(=O)CSCc1ccccc1)N2 ZINC000409350977 231194888 /nfs/dbraw/zinc/19/48/88/231194888.db2.gz VCZPOHDCTFAKND-IFIJOSMWSA-N -1 3 386.439 3.805 40 0 GHABHM Cc1cccc(-n2nc3[n-]cc4c(c-3c2=O)C[C@@H](c2cccs2)CC4=O)c1 ZINC000013611297 210072141 /nfs/dbraw/zinc/07/21/41/210072141.db2.gz NRFNKVHPWJNNSE-CYBMUJFWSA-N -1 3 375.453 3.996 40 0 GHABHM CC(C)(C)OC(=O)N[C@H]1CCCN([C@H](C(=O)[O-])c2ccc3ccccc3c2)C1 ZINC000095627605 211282828 /nfs/dbraw/zinc/28/28/28/211282828.db2.gz NYKMXWYQTZZMKF-OALUTQOASA-N -1 3 384.476 3.955 40 0 GHABHM Cc1ccc([C@@H](NC(=O)c2ccc([N-]S(C)(=O)=O)cc2)c2ccccc2)cc1 ZINC000020045320 210314838 /nfs/dbraw/zinc/31/48/38/210314838.db2.gz AWGJZYGOQXODMR-NRFANRHFSA-N -1 3 394.496 3.886 40 0 GHABHM CC(C)c1ccc(CCNC(=O)c2ccc([N-]S(C)(=O)=O)c(Cl)c2)cc1 ZINC000019934475 210308580 /nfs/dbraw/zinc/30/85/80/210308580.db2.gz KKORUAMTUWOCKC-UHFFFAOYSA-N -1 3 394.924 3.807 40 0 GHABHM CN(Cc1ccc(Cl)cc1)C(=O)c1ccc([N-]S(C)(=O)=O)c(Cl)c1 ZINC000216256555 570297997 /nfs/dbraw/zinc/29/79/97/570297997.db2.gz ACGNOQODQAPMRU-UHFFFAOYSA-N -1 3 387.288 3.637 40 0 GHABHM CCCC1=C[C@]([O-])(C(F)(F)F)N(C(=O)c2cccc(Br)c2)N1 ZINC000032138920 570509971 /nfs/dbraw/zinc/50/99/71/570509971.db2.gz RSCICMJRUKGCLN-ZDUSSCGKSA-N -1 3 379.176 3.702 40 0 GHABHM CCc1ccc([C@@]2(O)C=C(C(F)(F)F)NN2C(=O)c2ccccc2[O-])cc1 ZINC000000783869 570709543 /nfs/dbraw/zinc/70/95/43/570709543.db2.gz LWUKVCGJQBUSRO-SFHVURJKSA-N -1 3 378.350 3.564 40 0 GHABHM COc1ccc(OC[C@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000010543585 570791833 /nfs/dbraw/zinc/79/18/33/570791833.db2.gz AJYCLKLBPRCBAT-NSHDSACASA-N -1 3 390.288 3.748 40 0 GHABHM CCOc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc(Cl)c1[O-] ZINC000006958695 856387033 /nfs/dbraw/zinc/38/70/33/856387033.db2.gz FKJSGFUUUWBYQV-CXUHLZMHSA-N -1 3 386.835 3.846 40 0 GHABHM COc1cc(C(=S)N2CCN(Cc3ccccc3)CC2)cc(Cl)c1[O-] ZINC000008109285 856399304 /nfs/dbraw/zinc/39/93/04/856399304.db2.gz PRJOLLJKWQGVTM-UHFFFAOYSA-N -1 3 376.909 3.548 40 0 GHABHM O=c1cc(C[C@@H](NCc2ccncc2)c2ccc(F)cc2)nc(C2CCC2)[n-]1 ZINC000019332477 210242430 /nfs/dbraw/zinc/24/24/30/210242430.db2.gz RIEQZGPFWQZDAJ-HXUWFJFHSA-N -1 3 378.451 3.645 40 0 GHABHM CCn1c(SCC(=O)N2CCCCC2)nnc1-c1cc2ccccc2cc1[O-] ZINC000000896742 209278020 /nfs/dbraw/zinc/27/80/20/209278020.db2.gz BVLUNDVKBMTZKF-UHFFFAOYSA-N -1 3 396.516 3.928 40 0 GHABHM CCn1c2cc(Cl)c(S(=O)(=O)[N-]c3ccccc3Cl)cc2oc1=O ZINC000223362671 211831022 /nfs/dbraw/zinc/83/10/22/211831022.db2.gz VRXJDDWHFOBIHO-UHFFFAOYSA-N -1 3 387.244 3.722 40 0 GHABHM CCOC(=O)Nc1cc(S(=O)(=O)[N-]c2c(C)cccc2CC)ccc1OC ZINC000408585060 529107255 /nfs/dbraw/zinc/10/72/55/529107255.db2.gz BLLNSBNBUQOXDU-UHFFFAOYSA-N -1 3 392.477 3.935 40 0 GHABHM CCOC(=O)Nc1cc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C)ccc1OC ZINC000408586249 529107724 /nfs/dbraw/zinc/10/77/24/529107724.db2.gz MTODFQRSLSTZBA-UHFFFAOYSA-N -1 3 392.477 3.990 40 0 GHABHM O=C([O-])c1cccc(CN2C[C@@H](c3ccccc3F)[C@]3(C2)CCCCC(=O)N3)c1 ZINC000585261668 570228349 /nfs/dbraw/zinc/22/83/49/570228349.db2.gz AFIHPWJFZILKQR-WMZHIEFXSA-N -1 3 396.462 3.552 40 0 GHABHM COc1ccc([C@H](c2c([O-])c3ccccc3oc2=O)N2CCCC2)c(OC)c1 ZINC000104241849 570299768 /nfs/dbraw/zinc/29/97/68/570299768.db2.gz BPCIYXKSFOCOMQ-HXUWFJFHSA-N -1 3 381.428 3.701 40 0 GHABHM CC[C@H](NC(=O)c1ccc([N-]S(C)(=O)=O)cc1)c1ccc2c(c1)CCCC2 ZINC000223054561 570440278 /nfs/dbraw/zinc/44/02/78/570440278.db2.gz JZAQHIJRPDRAII-FQEVSTJZSA-N -1 3 386.517 3.818 40 0 GHABHM Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1 ZINC000006352386 570477881 /nfs/dbraw/zinc/47/78/81/570477881.db2.gz LFCFRGUESYMPNS-UHFFFAOYSA-N -1 3 396.468 3.813 40 0 GHABHM Cc1ccc(CNC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)cc1 ZINC000006449063 570480393 /nfs/dbraw/zinc/48/03/93/570480393.db2.gz GAIGPBHRLFJNAW-UHFFFAOYSA-N -1 3 398.459 3.865 40 0 GHABHM COc1ccc([C@@H](CC(C)C)NC(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1 ZINC000030847428 570497729 /nfs/dbraw/zinc/49/77/29/570497729.db2.gz BQDHPUSUEYOMHO-LJQANCHMSA-N -1 3 390.505 3.584 40 0 GHABHM CCC1=C[C@]([O-])(C(F)(F)F)N(C(=O)COc2ccc(Cl)cc2Cl)N1 ZINC000032100038 570508335 /nfs/dbraw/zinc/50/83/35/570508335.db2.gz BMVLSEWJCYWLDR-ZDUSSCGKSA-N -1 3 385.169 3.621 40 0 GHABHM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1C ZINC000224599266 570520187 /nfs/dbraw/zinc/52/01/87/570520187.db2.gz ICWVCKPPZGOCNL-WOJBJXKFSA-N -1 3 378.501 3.920 40 0 GHABHM COc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C(C)C)cc1NC(C)=O ZINC000016130587 856419782 /nfs/dbraw/zinc/41/97/82/856419782.db2.gz OQEBOXHALDOANL-UHFFFAOYSA-N -1 3 376.478 3.886 40 0 GHABHM O=S(=O)(Cc1ccc(Cl)cc1)[N-]Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000169884584 883343576 /nfs/dbraw/zinc/34/35/76/883343576.db2.gz BIAUHBJTQJZFMU-UHFFFAOYSA-N -1 3 398.271 3.663 40 0 GHABHM O=c1cc(C[C@@H](NCc2ccccc2)c2ccccc2)nc(-c2ccccn2)[n-]1 ZINC000019372689 210247052 /nfs/dbraw/zinc/24/70/52/210247052.db2.gz MFVKFGCGCATWQV-JOCHJYFZSA-N -1 3 382.467 3.906 40 0 GHABHM Cc1cc(Cl)cc(OCC(=O)N2NC3=C(CCCC3)[C@]2([O-])C(F)(F)F)c1 ZINC000409188776 231176087 /nfs/dbraw/zinc/17/60/87/231176087.db2.gz GFZLWYJUSOPABB-CJNGLKHVSA-N -1 3 390.789 3.667 40 0 GHABHM O=c1[n-]c(-c2cccnc2)nc2c1CCN(Cc1cccc(Cl)c1Cl)C2 ZINC000019292622 210239552 /nfs/dbraw/zinc/23/95/52/210239552.db2.gz KVKOYCBAURAETM-UHFFFAOYSA-N -1 3 387.270 3.697 40 0 GHABHM Cc1cc(C)nc([N-]c2cncc([C@@H]3CCCN(C(=O)c4ccccc4)C3)n2)n1 ZINC000072354328 211098144 /nfs/dbraw/zinc/09/81/44/211098144.db2.gz AZCAQWKHFYOZIJ-GOSISDBHSA-N -1 3 388.475 3.647 40 0 GHABHM O=C(Cc1cnc(-c2ccc(Cl)cc2)[n-]c1=O)Nc1ccc(F)cc1F ZINC000019937628 210308683 /nfs/dbraw/zinc/30/86/83/210308683.db2.gz YVIRTXVXZOXLCN-UHFFFAOYSA-N -1 3 375.762 3.550 40 0 GHABHM COc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1[O-] ZINC000409088879 533471246 /nfs/dbraw/zinc/47/12/46/533471246.db2.gz LZJDMYJVWOKMMT-AWNIVKPZSA-N -1 3 379.199 3.805 40 0 GHABHM CCN(CC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1 ZINC000408560190 528046656 /nfs/dbraw/zinc/04/66/56/528046656.db2.gz CLPLMGGIDAJRAK-UHFFFAOYSA-N -1 3 375.494 3.978 40 0 GHABHM CCOc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc(Cl)c1[O-] ZINC000409244899 528194232 /nfs/dbraw/zinc/19/42/32/528194232.db2.gz KEMVCGXMIKVAQD-CXUHLZMHSA-N -1 3 386.835 3.846 40 0 GHABHM COc1ccc(NC(=O)c2cc([N-]S(C)(=O)=O)ccc2Cl)cc1Cl ZINC000022511937 570318966 /nfs/dbraw/zinc/31/89/66/570318966.db2.gz UVFOBGPYVVKFLS-UHFFFAOYSA-N -1 3 389.260 3.626 40 0 GHABHM CCc1ccc(CC)c(CNC(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)c1 ZINC000223702425 570479784 /nfs/dbraw/zinc/47/97/84/570479784.db2.gz AJFFRVQOSDYJKO-UHFFFAOYSA-N -1 3 394.924 3.766 40 0 GHABHM COc1ccccc1OCC[N-]S(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000224214067 570503800 /nfs/dbraw/zinc/50/38/00/570503800.db2.gz QHAVOOAGNOUOLP-UHFFFAOYSA-N -1 3 390.288 3.500 40 0 GHABHM CCOC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(OC)c(C)c2C)c1 ZINC000224637586 570521868 /nfs/dbraw/zinc/52/18/68/570521868.db2.gz WRSJIMKRWDOFMF-UHFFFAOYSA-N -1 3 377.462 3.598 40 0 GHABHM Cc1ccc(CC(=O)N2CCC[C@H](c3nc(-c4ccccn4)cc(=O)[n-]3)C2)cc1 ZINC000012256783 570631462 /nfs/dbraw/zinc/63/14/62/570631462.db2.gz DAFSWYDSUMVIKA-SFHVURJKSA-N -1 3 388.471 3.501 40 0 GHABHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccccc3Br)c2)n1 ZINC000058319161 570727016 /nfs/dbraw/zinc/72/70/16/570727016.db2.gz MHHDWEWARAFNKF-UHFFFAOYSA-N -1 3 384.233 3.760 40 0 GHABHM CCN(CC)C(=O)CSc1nnc(-c2cc3ccccc3cc2[O-])n1CC ZINC000018099782 570922416 /nfs/dbraw/zinc/92/24/16/570922416.db2.gz VVRVXVFZSWROHR-UHFFFAOYSA-N -1 3 384.505 3.784 40 0 GHABHM Cc1nn(C(C)C)c(C)c1CN1CCC(c2cc(=O)[n-]c(N3CCCC3)n2)CC1 ZINC000019577449 210267744 /nfs/dbraw/zinc/26/77/44/210267744.db2.gz DRRYLWVDMGFINA-UHFFFAOYSA-N -1 3 398.555 3.556 40 0 GHABHM COc1cccc(CN[C@H](Cc2c[nH]c3ccccc23)c2cc(=O)[n-]c(C)n2)c1 ZINC000019285174 210235695 /nfs/dbraw/zinc/23/56/95/210235695.db2.gz WQUFVJLSOHQKCE-OAQYLSRUSA-N -1 3 388.471 3.642 40 0 GHABHM Cc1nc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)C2CCCCC2)cc(=O)[n-]1 ZINC000019240970 210235115 /nfs/dbraw/zinc/23/51/15/210235115.db2.gz IALHGSZJZXGEHZ-LJQANCHMSA-N -1 3 378.476 3.540 40 0 GHABHM O=C(NC1CCCC1)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000019932480 210309428 /nfs/dbraw/zinc/30/94/28/210309428.db2.gz KRDMKNUQEHINPO-UHFFFAOYSA-N -1 3 378.881 3.813 40 0 GHABHM O=C(CSCc1ccccc1)N1NC2=C(CCCCC2)[C@@]1([O-])C(F)(F)F ZINC000409356016 534667473 /nfs/dbraw/zinc/66/74/73/534667473.db2.gz DPNOENHIWAFDMS-RHSMWYFYSA-N -1 3 386.439 3.949 40 0 GHABHM CC(C)C1=C[C@@]([O-])(C(F)(F)F)N(C(=O)c2ccccc2Br)N1 ZINC000409061946 527625857 /nfs/dbraw/zinc/62/58/57/527625857.db2.gz KJRSDQIJYQWWKT-CYBMUJFWSA-N -1 3 379.176 3.558 40 0 GHABHM CCC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)ccc1OC ZINC000408697529 528425265 /nfs/dbraw/zinc/42/52/65/528425265.db2.gz KEEDPALJZJEUCC-UHFFFAOYSA-N -1 3 382.869 3.806 40 0 GHABHM O=C1[C@@H]2C(=C([O-])N1c1ccccc1F)ON(c1ccccc1)[C@@H]2c1ccccc1 ZINC000005092586 570223018 /nfs/dbraw/zinc/22/30/18/570223018.db2.gz IMEVDSRFMICGCF-HBMCJLEFSA-N -1 3 388.398 3.877 40 0 GHABHM Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc([N-]S(C)(=O)=O)c(Cl)c2)c1 ZINC000030863489 570499606 /nfs/dbraw/zinc/49/96/06/570499606.db2.gz WOPNOSVFNAOMKZ-CYBMUJFWSA-N -1 3 380.897 3.819 40 0 GHABHM COc1cccc(-c2nnc([N-]C(=O)c3cnc(C(C)(C)C)nc3)s2)c1OC ZINC000012196002 570623224 /nfs/dbraw/zinc/62/32/24/570623224.db2.gz KUMRWTKJSPWJIG-UHFFFAOYSA-N -1 3 399.476 3.562 40 0 GHABHM COc1ccc(-c2cc(=O)[n-]c(NC(=N)Nc3cccc(Cl)c3C)n2)cc1 ZINC000017078389 570917629 /nfs/dbraw/zinc/91/76/29/570917629.db2.gz HNZYHTNYOPPHHA-UHFFFAOYSA-N -1 3 383.839 3.866 40 0 GHABHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)OC)c(C)c2)cc1 ZINC000006323665 856378368 /nfs/dbraw/zinc/37/83/68/856378368.db2.gz XIZSSDUNZXCHLX-UHFFFAOYSA-N -1 3 391.489 3.690 40 0 GHABHM COCCn1c(-c2ccc([O-])c(C(N)=O)c2)cs/c1=N/c1cc(C)ccc1C ZINC000102962731 884661840 /nfs/dbraw/zinc/66/18/40/884661840.db2.gz QGFSUXKZXZMTFO-XTQSDGFTSA-N -1 3 397.500 3.517 40 0 GHABHM COc1ccc(CN2CCCC[C@H]2c2cc(=O)[n-]c(-c3cccnc3)n2)cc1 ZINC000019555287 210262454 /nfs/dbraw/zinc/26/24/54/210262454.db2.gz COXQSZRFGKYBDL-FQEVSTJZSA-N -1 3 376.460 3.568 40 0 GHABHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1C(=O)N1CCCC1 ZINC000408596217 231072729 /nfs/dbraw/zinc/07/27/29/231072729.db2.gz RSKAZRAMBBASAJ-UHFFFAOYSA-N -1 3 378.881 3.685 40 0 GHABHM Cc1cc(C)cc(OCC(=O)N2NC(CCC(C)C)=C[C@]2([O-])C(F)(F)F)c1 ZINC000408956573 231134793 /nfs/dbraw/zinc/13/47/93/231134793.db2.gz RHSKNZLMUGKEIK-SFHVURJKSA-N -1 3 386.414 3.958 40 0 GHABHM CC(C)c1nnc([N-]C(=O)c2cc3nc(C4CC4)cc(C(F)(F)F)n3n2)s1 ZINC000001365209 209322149 /nfs/dbraw/zinc/32/21/49/209322149.db2.gz USIJWGVSOCQXLO-UHFFFAOYSA-N -1 3 396.398 3.853 40 0 GHABHM Nc1nccc([C@H]2CCCN(Cc3ccc(-c4ccccc4C(=O)[O-])cc3)C2)n1 ZINC000257308302 212021552 /nfs/dbraw/zinc/02/15/52/212021552.db2.gz TWFZIXZUHVLJQT-SFHVURJKSA-N -1 3 388.471 3.804 40 0 GHABHM CC(C)(C)c1ccc(OCC(=O)[O-])c(CN2CC[C@@]3(C)C[C@H](O)CC[C@@H]23)c1 ZINC000257278864 212016816 /nfs/dbraw/zinc/01/68/16/212016816.db2.gz ODYPPPRJXZMKPW-JUXOCIIHSA-N -1 3 375.509 3.573 40 0 GHABHM CCc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccco2)cc1 ZINC000101178767 211396184 /nfs/dbraw/zinc/39/61/84/211396184.db2.gz MBEIPAAIJONRMZ-HBMCJLEFSA-N -1 3 388.423 3.893 40 0 GHABHM CCOc1ccccc1NC(=O)Cc1cnc(-c2ccc(Cl)cc2)[n-]c1=O ZINC000019937640 210308379 /nfs/dbraw/zinc/30/83/79/210308379.db2.gz NDHMYMLWHNGBFD-UHFFFAOYSA-N -1 3 383.835 3.670 40 0 GHABHM CCn1c2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3Cl)cc2oc1=O ZINC000019936772 210308388 /nfs/dbraw/zinc/30/83/88/210308388.db2.gz AKXGIDOYDVAAGR-UHFFFAOYSA-N -1 3 387.244 3.722 40 0 GHABHM C[C@@H]1CC[C@@H]2C(C)(C)[C@H](O)CC[C@@]2(C)[C@@]12Cc1c(c3c(cc1[O-])CNC3=O)O2 ZINC000604381404 570352148 /nfs/dbraw/zinc/35/21/48/570352148.db2.gz NSKHZIOXIKSFER-UJOQUQSGSA-N -1 3 385.504 3.543 40 0 biogenic,in-vitro GHABHM COCCCn1c(-c2ccc([O-])c(C(N)=O)c2)cs/c1=N\c1ccc(C)cc1 ZINC000014093581 570392903 /nfs/dbraw/zinc/39/29/03/570392903.db2.gz SFHBPQYMRKANDW-LNVKXUELSA-N -1 3 397.500 3.598 40 0 GHABHM O=C(c1ccc([O-])cc1)N1N=C(c2ccc(Cl)cc2)C[C@@]1(O)C(F)(F)F ZINC000032101179 570508274 /nfs/dbraw/zinc/50/82/74/570508274.db2.gz QIHSDHIITYPNSY-MRXNPFEDSA-N -1 3 384.741 3.547 40 0 GHABHM Cc1cc(NC(=S)NC(=O)c2ccc(F)cc2)cc(Br)c1[O-] ZINC000226243757 570935676 /nfs/dbraw/zinc/93/56/76/570935676.db2.gz BWIJWHIIFADKTI-UHFFFAOYSA-N -1 3 383.242 3.729 40 0 GHABHM COc1ccc(CN2CCCC[C@@H]2c2cc(=O)[n-]c(-c3ccccn3)n2)cc1 ZINC000019555278 210261981 /nfs/dbraw/zinc/26/19/81/210261981.db2.gz YMVHCQYSFWURBL-HXUWFJFHSA-N -1 3 376.460 3.568 40 0 GHABHM Cc1cccc(CN2C(=O)N/C(=C/c3cc(Br)ccc3[O-])C2=O)c1 ZINC000409245710 231186721 /nfs/dbraw/zinc/18/67/21/231186721.db2.gz XZACJVKJXLUTAM-OQLLNIDSSA-N -1 3 387.233 3.556 40 0 GHABHM O=C(CSc1n[n-]c(COc2ccccc2F)n1)Nc1cccc(Cl)c1 ZINC000409387003 231199846 /nfs/dbraw/zinc/19/98/46/231199846.db2.gz YMNKFJFRNOEIPE-UHFFFAOYSA-N -1 3 392.843 3.907 40 0 GHABHM O=C(Cc1ccc(F)cc1)N1CCCC[C@H]1c1nc(-c2ccsc2)cc(=O)[n-]1 ZINC000019333320 210241287 /nfs/dbraw/zinc/24/12/87/210241287.db2.gz YQAYIYRWBJNHDK-SFHVURJKSA-N -1 3 397.475 3.934 40 0 GHABHM Cc1cccc(C)c1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccncc1 ZINC000013115719 210050902 /nfs/dbraw/zinc/05/09/02/210050902.db2.gz ISIBQCTYOALSME-BVSLBCMMSA-N -1 3 399.450 3.750 40 0 GHABHM CC(C)(C)OC(=O)N1CCCN([C@@H](C(=O)[O-])c2ccc3ccccc3c2)CC1 ZINC000002527344 209368710 /nfs/dbraw/zinc/36/87/10/209368710.db2.gz MAKZZXDCBWXPEM-LJQANCHMSA-N -1 3 384.476 3.908 40 0 GHABHM CCCCC[C@]1(O)CCN(C(=O)c2ccc([O-])cc2)C[C@@H]1Oc1ccccc1 ZINC000257321914 212024379 /nfs/dbraw/zinc/02/43/79/212024379.db2.gz WDVHSMLALCQTJA-GMAHTHKFSA-N -1 3 383.488 3.997 40 0 GHABHM O=C([O-])COc1ccccc1CN1C[C@@H]2CC[C@H](Oc3cccc(F)c3)[C@@H]2C1 ZINC000257211464 212002928 /nfs/dbraw/zinc/00/29/28/212002928.db2.gz BYYSQYOJJBWHLH-DLVCFXQMSA-N -1 3 385.435 3.579 40 0 GHABHM O=c1cc(C2CCN(Cc3cccc(F)c3F)CC2)nc(-c2ccncc2)[n-]1 ZINC000072392725 211109939 /nfs/dbraw/zinc/10/99/39/211109939.db2.gz ZAVZCWUCGRBSNR-UHFFFAOYSA-N -1 3 382.414 3.902 40 0 GHABHM COc1ccc(CN2CCCC[C@@H]2c2ccnc([N-]c3cnccn3)n2)cc1 ZINC000072377442 211105507 /nfs/dbraw/zinc/10/55/07/211105507.db2.gz QGSCIPUMUVMOKZ-LJQANCHMSA-N -1 3 376.464 3.746 40 0 GHABHM COc1ccccc1[C@@H](C)NC(=O)Cc1cnc(-c2ccc(Cl)cc2)[n-]c1=O ZINC000019937732 210308869 /nfs/dbraw/zinc/30/88/69/210308869.db2.gz IVLNZIKTWFQDCI-CYBMUJFWSA-N -1 3 397.862 3.519 40 0 GHABHM Cc1ccc(C(C)C)c(OCC(=O)N2NC(C(C)C)=C[C@]2([O-])C(F)(F)F)c1 ZINC000409053730 533634991 /nfs/dbraw/zinc/63/49/91/533634991.db2.gz HIWWBFKBIOBVGI-SFHVURJKSA-N -1 3 386.414 3.992 40 0 GHABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)NCC(C)C)cc2)cc1 ZINC000408598165 528555206 /nfs/dbraw/zinc/55/52/06/528555206.db2.gz XOKPZUCTIOSATE-UHFFFAOYSA-N -1 3 391.493 3.664 40 0 GHABHM CC(C)(C)OC(=O)N[C@H]1CCCN([C@@H](C(=O)[O-])c2ccc3ccccc3c2)C1 ZINC000215747751 570291335 /nfs/dbraw/zinc/29/13/35/570291335.db2.gz NYKMXWYQTZZMKF-RBUKOAKNSA-N -1 3 384.476 3.955 40 0 GHABHM Cc1ccccc1CS(=O)(=O)[N-]Cc1nc(-c2ccc(C(C)C)cc2)no1 ZINC000223624834 570474957 /nfs/dbraw/zinc/47/49/57/570474957.db2.gz TWLWUUHMCLAFKC-UHFFFAOYSA-N -1 3 385.489 3.788 40 0 GHABHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H]1CC2(CCCCC2)Oc2ccccc21 ZINC000224209189 570503868 /nfs/dbraw/zinc/50/38/68/570503868.db2.gz AAVCIFRLTKDGRD-MRXNPFEDSA-N -1 3 376.478 3.796 40 0 GHABHM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(N3CCCCC3)cc2)ccc1C ZINC000224977480 570540850 /nfs/dbraw/zinc/54/08/50/570540850.db2.gz OBSAJDQGCDWLSX-UHFFFAOYSA-N -1 3 388.489 3.573 40 0 GHABHM Cc1ccc(C(=O)NC(=S)N=c2[nH]c3ccc([O-])cc3s2)c(Cl)c1 ZINC000017077304 570916855 /nfs/dbraw/zinc/91/68/55/570916855.db2.gz XCTPDXLHGLHTPY-UHFFFAOYSA-N -1 3 377.878 3.512 40 0 GHABHM Cc1ccc(C(=O)NC(=S)Nc2cc(C)c([O-])c(Br)c2)cc1 ZINC000226243583 570935708 /nfs/dbraw/zinc/93/57/08/570935708.db2.gz IBIYRRVIAUKXOE-UHFFFAOYSA-N -1 3 379.279 3.898 40 0 GHABHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2C)[C@@H]3c2ccco2)cc1 ZINC000004166033 570966948 /nfs/dbraw/zinc/96/69/48/570966948.db2.gz GNDIHGXIRKDVMJ-NJYVYQBISA-N -1 3 388.423 3.948 40 0 GHABHM COc1ccccc1CN1CCCC[C@H]1c1cc(=O)[n-]c(-c2ccncc2)n1 ZINC000019570410 210267535 /nfs/dbraw/zinc/26/75/35/210267535.db2.gz AMEZFZOSTQYMQG-IBGZPJMESA-N -1 3 376.460 3.980 40 0 GHABHM O=C(CCc1ccccc1)N1CCC(c2nc(-c3ccsc3)cc(=O)[n-]2)CC1 ZINC000019370688 210245533 /nfs/dbraw/zinc/24/55/33/210245533.db2.gz UCLRKVVXAIGWPH-UHFFFAOYSA-N -1 3 393.512 3.837 40 0 GHABHM O=c1cc([C@@H]2CCCCN2Cc2c(F)cccc2F)nc(-c2ccncc2)[n-]1 ZINC000019292651 210239764 /nfs/dbraw/zinc/23/97/64/210239764.db2.gz BSWQBCHLMYHUNN-IBGZPJMESA-N -1 3 382.414 3.837 40 0 GHABHM Cc1ccccc1CS(=O)(=O)[N-]Cc1nc(-c2ccc(C(C)(C)C)cc2)no1 ZINC000223624898 211838799 /nfs/dbraw/zinc/83/87/99/211838799.db2.gz VWCDUSBNLPHPNE-UHFFFAOYSA-N -1 3 399.516 3.962 40 0 GHABHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3CCC)cc1 ZINC000100531053 211386068 /nfs/dbraw/zinc/38/60/68/211386068.db2.gz GQPKHYLBDZZBAC-HKBOAZHASA-N -1 3 394.471 3.954 40 0 GHABHM CC(C)(C)OC(=O)N[C@@H]1CCCN([C@H](C(=O)[O-])c2ccc3ccccc3c2)C1 ZINC000095627604 211282646 /nfs/dbraw/zinc/28/26/46/211282646.db2.gz NYKMXWYQTZZMKF-MOPGFXCFSA-N -1 3 384.476 3.955 40 0 GHABHM COc1ccc(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)cc1Cl ZINC000020462474 210337928 /nfs/dbraw/zinc/33/79/28/210337928.db2.gz MOHCMEQGKOZTCI-UHFFFAOYSA-N -1 3 389.260 3.626 40 0 GHABHM CC[C@@H](NC(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl)c1ccc(OC)cc1 ZINC000020046989 210314493 /nfs/dbraw/zinc/31/44/93/210314493.db2.gz BYUNIWBZQMEWBM-QGZVFWFLSA-N -1 3 396.896 3.601 40 0 GHABHM CCOC(=O)c1sc(Nc2nc(-c3ccc(Cl)cc3)cc(=O)[n-]2)nc1C ZINC000019819596 210300219 /nfs/dbraw/zinc/30/02/19/210300219.db2.gz IHUZHLIAVWTRPJ-UHFFFAOYSA-N -1 3 390.852 3.776 40 0 GHABHM Cc1c(-c2csc([N-]C(=O)c3cc(-c4ccc(F)cc4)no3)n2)cnn1C ZINC000019656049 210278065 /nfs/dbraw/zinc/27/80/65/210278065.db2.gz VDWBBSPNTCTITB-UHFFFAOYSA-N -1 3 383.408 3.898 40 0 GHABHM CCCCCCc1c(C)nc(N2CCN(c3ccccc3OC)CC2)[n-]c1=O ZINC000014608486 136201741 /nfs/dbraw/zinc/20/17/41/136201741.db2.gz FPHHKPBSDCYJPI-UHFFFAOYSA-N -1 3 384.524 3.536 40 0 GHABHM Cc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2Cl)cc1C(N)=O ZINC000408554636 534211422 /nfs/dbraw/zinc/21/14/22/534211422.db2.gz CWYRBDCFYNUJOR-UHFFFAOYSA-N -1 3 392.786 3.567 40 0 GHABHM CC(C)C1=C[C@@]([O-])(C(F)(F)F)N(C(=O)COc2ccc(Cl)cc2Cl)N1 ZINC000409058598 527626281 /nfs/dbraw/zinc/62/62/81/527626281.db2.gz TWAADENKKZLABR-CQSZACIVSA-N -1 3 399.196 3.867 40 0 GHABHM CCOC(=O)Nc1cc(S(=O)(=O)[N-]c2cc(C)ccc2C)ccc1OC ZINC000408585641 529107569 /nfs/dbraw/zinc/10/75/69/529107569.db2.gz HKMUYOGLLXFYJA-UHFFFAOYSA-N -1 3 378.450 3.681 40 0 GHABHM Cc1ccccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000006235040 570473029 /nfs/dbraw/zinc/47/30/29/570473029.db2.gz XWEASHYBWBLIJS-UHFFFAOYSA-N -1 3 396.468 3.813 40 0 GHABHM Cn1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c1 ZINC000224884666 570536415 /nfs/dbraw/zinc/53/64/15/570536415.db2.gz GNOXMTPANRGCAE-QZTJIDSGSA-N -1 3 384.892 3.956 40 0 GHABHM COc1ccc(CN2CCC(c3nc(-c4ccccn4)cc(=O)[n-]3)CC2)c(F)c1 ZINC000012328144 570643717 /nfs/dbraw/zinc/64/37/17/570643717.db2.gz HHDWFNAMXRLFSB-UHFFFAOYSA-N -1 3 394.450 3.772 40 0 GHABHM O=S(=O)(Cc1ccc(Cl)cc1)[N-]Cc1nc(-c2ccccc2Cl)no1 ZINC000169884514 883343244 /nfs/dbraw/zinc/34/32/44/883343244.db2.gz YGFKHLAKFQDNMB-UHFFFAOYSA-N -1 3 398.271 3.663 40 0 GHABHM COc1ccc(CN2CCCC[C@H]2c2cc(=O)[n-]c(-c3ccncc3)n2)cc1 ZINC000019555293 210261985 /nfs/dbraw/zinc/26/19/85/210261985.db2.gz KJRNURKZTIJBJN-FQEVSTJZSA-N -1 3 376.460 3.568 40 0 GHABHM Cc1c[nH]c(-c2cc(C3CCN(Cc4cccc(C(=O)[O-])c4)CC3)nc(C)n2)n1 ZINC000257250781 212011355 /nfs/dbraw/zinc/01/13/55/212011355.db2.gz JNZAKIDYFVWVTC-UHFFFAOYSA-N -1 3 391.475 3.561 40 0 GHABHM CC(C)Oc1ccc(NC(=O)c2ccc([N-]S(C)(=O)=O)c(Cl)c2)cc1 ZINC000020456631 210338434 /nfs/dbraw/zinc/33/84/34/210338434.db2.gz ULJWMXQRWREHMZ-UHFFFAOYSA-N -1 3 382.869 3.751 40 0 GHABHM COc1ccc(-c2cc(C(=O)[N-]c3nc(-c4cnn(C)c4C)cs3)on2)cc1 ZINC000019660466 210279825 /nfs/dbraw/zinc/27/98/25/210279825.db2.gz QEGCDCZTJNUXGT-UHFFFAOYSA-N -1 3 395.444 3.768 40 0 GHABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)N3CCCCC3)cc2)cc1 ZINC000408594462 534188842 /nfs/dbraw/zinc/18/88/42/534188842.db2.gz SFRRCZJBXXWSDT-UHFFFAOYSA-N -1 3 389.477 3.514 40 0 GHABHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@H]2c1ccco1 ZINC000101997226 570264445 /nfs/dbraw/zinc/26/44/45/570264445.db2.gz ZFLJYOAQDAVHEY-FHWLQOOXSA-N -1 3 394.814 3.984 40 0 GHABHM Cc1cccc(C)c1NC(=O)CSc1nnc([N-]C(=O)c2ccco2)s1 ZINC000035311583 570466682 /nfs/dbraw/zinc/46/66/82/570466682.db2.gz LIHJDRKUEPEMAO-UHFFFAOYSA-N -1 3 388.474 3.731 40 0 GHABHM O=S(=O)(Cc1cccc(Cl)c1)[N-]Cc1nc(-c2cccc(Cl)c2)no1 ZINC000223628522 570475429 /nfs/dbraw/zinc/47/54/29/570475429.db2.gz AYJXOWZFMABFSG-UHFFFAOYSA-N -1 3 398.271 3.663 40 0 GHABHM COC(=O)c1c(C)c(C(=O)Nc2ccccc2)sc1[N-]C(=O)c1ccco1 ZINC000000870721 570501429 /nfs/dbraw/zinc/50/14/29/570501429.db2.gz LOUUTPWQAQYNGM-UHFFFAOYSA-N -1 3 384.413 3.941 40 0 GHABHM O=C(Nc1ccccc1[O-])C1C(=O)C(=O)N(c2ccccc2)[C@@H]1c1ccccc1 ZINC000033752599 570528828 /nfs/dbraw/zinc/52/88/28/570528828.db2.gz PWHYCWFYWKYDMW-HXUWFJFHSA-N -1 3 386.407 3.931 40 0 GHABHM COc1ccccc1N1CCN(CCc2ccc3c(Cl)ccc([O-])c3n2)CC1 ZINC000059474707 570657470 /nfs/dbraw/zinc/65/74/70/570657470.db2.gz ONZWAHNKHXDROA-UHFFFAOYSA-N -1 3 397.906 3.967 40 0 GHABHM CC(=O)[N-]C(=O)c1ccc(-c2ccc(Br)cc2Br)o1 ZINC000085346733 570922951 /nfs/dbraw/zinc/92/29/51/570922951.db2.gz ZNFNOPUUWFKTNG-UHFFFAOYSA-N -1 3 387.027 3.748 40 0 GHABHM CCc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccco2)cc1 ZINC000004301408 570971451 /nfs/dbraw/zinc/97/14/51/570971451.db2.gz MBEIPAAIJONRMZ-HKBOAZHASA-N -1 3 388.423 3.893 40 0 GHABHM COc1cccc(CN2CCCC[C@@H]2c2cc(=O)[n-]c(-c3cccnc3)n2)c1 ZINC000019565227 210264982 /nfs/dbraw/zinc/26/49/82/210264982.db2.gz AYRHASJNQBFAIH-HXUWFJFHSA-N -1 3 376.460 3.980 40 0 GHABHM COc1ccc(CN2CCCC[C@@H]2c2cc(=O)[n-]c(-c3ccncc3)n2)cc1 ZINC000019555290 210262258 /nfs/dbraw/zinc/26/22/58/210262258.db2.gz KJRNURKZTIJBJN-HXUWFJFHSA-N -1 3 376.460 3.568 40 0 GHABHM O=C(Cc1ccsc1)N1CCC(c2nc(-c3ccsc3)cc(=O)[n-]2)CC1 ZINC000019406421 210248942 /nfs/dbraw/zinc/24/89/42/210248942.db2.gz ITXCMYUKROCUBR-UHFFFAOYSA-N -1 3 385.514 3.509 40 0 GHABHM O=Cc1cc(Br)c(Sc2nnc(COc3ccccc3)[n-]2)o1 ZINC000408553914 231058867 /nfs/dbraw/zinc/05/88/67/231058867.db2.gz RMRNIYDLMIDYQR-UHFFFAOYSA-N -1 3 380.223 3.703 40 0 GHABHM O=Cc1cc(Br)c(Sc2nc(COc3ccccc3)n[n-]2)o1 ZINC000408553914 231058871 /nfs/dbraw/zinc/05/88/71/231058871.db2.gz RMRNIYDLMIDYQR-UHFFFAOYSA-N -1 3 380.223 3.703 40 0 GHABHM O=Cc1cc(Br)c(Sc2n[n-]c(COc3ccccc3)n2)o1 ZINC000408553914 231058874 /nfs/dbraw/zinc/05/88/74/231058874.db2.gz RMRNIYDLMIDYQR-UHFFFAOYSA-N -1 3 380.223 3.703 40 0 GHABHM O=C(Cc1ccccc1F)N1CCCC[C@@H]1c1nc(-c2ccsc2)cc(=O)[n-]1 ZINC000019348147 210244095 /nfs/dbraw/zinc/24/40/95/210244095.db2.gz SRXGLGQELBFNDL-GOSISDBHSA-N -1 3 397.475 3.934 40 0 GHABHM O=C(CC1CCCC1)N[C@H](Cc1cc(=O)[n-]c(C2CC2)n1)c1ccc(F)cc1 ZINC000019332436 210242576 /nfs/dbraw/zinc/24/25/76/210242576.db2.gz HOJKPAAVNLQDMD-LJQANCHMSA-N -1 3 383.467 3.767 40 0 GHABHM O=C(CC1CCCC1)N[C@@H](Cc1cc(=O)[n-]c(C2CC2)n1)c1ccc(F)cc1 ZINC000019332440 210241821 /nfs/dbraw/zinc/24/18/21/210241821.db2.gz HOJKPAAVNLQDMD-IBGZPJMESA-N -1 3 383.467 3.767 40 0 GHABHM Cc1nnc([C@]2(C)CCCN(Cc3ccc(-c4ccccc4C(=O)[O-])o3)C2)o1 ZINC000257298733 212020064 /nfs/dbraw/zinc/02/00/64/212020064.db2.gz RNBQORJXQCTQMO-OAQYLSRUSA-N -1 3 381.432 3.890 40 0 GHABHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@H](C)CCc1ccccc1 ZINC000007375148 209143844 /nfs/dbraw/zinc/14/38/44/209143844.db2.gz CRUYCNRIJTWKRN-CYBMUJFWSA-N -1 3 398.322 3.757 40 0 GHABHM CCn1c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3Cl)cc2oc1=O ZINC000019936773 210309319 /nfs/dbraw/zinc/30/93/19/210309319.db2.gz DNMSMRVIARTTET-UHFFFAOYSA-N -1 3 387.244 3.722 40 0 GHABHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(CC)cc2)cc1NC(=O)CC ZINC000408697701 528587533 /nfs/dbraw/zinc/58/75/33/528587533.db2.gz LEZCLVREFQAPJV-UHFFFAOYSA-N -1 3 376.478 3.797 40 0 GHABHM Cc1ccc(-n2c(O)c3n(-c4ccccc4)[n-]c(-c4ccco4)c-3c2=O)cc1C ZINC000101460699 570283495 /nfs/dbraw/zinc/28/34/95/570283495.db2.gz DUAZFZNBTWKWRO-TZIWHRDSSA-N -1 3 385.423 3.679 40 0 GHABHM CS(=O)(=O)[N-]c1ccc(Cl)c(C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000022525558 570320109 /nfs/dbraw/zinc/32/01/09/570320109.db2.gz KOLQEEGBRLTPKJ-UHFFFAOYSA-N -1 3 392.786 3.983 40 0 GHABHM O=C([N-]n1c(=O)c2ccccc2nc1Cc1cccs1)c1ccc(F)c(F)c1 ZINC000004891235 570415727 /nfs/dbraw/zinc/41/57/27/570415727.db2.gz ISKKOLCOVRCFQR-UHFFFAOYSA-N -1 3 397.406 3.711 40 0 GHABHM Cc1noc(C)c1S(=O)(=O)[N-]CCSCc1ccc(Cl)c(Cl)c1 ZINC000222719741 570422226 /nfs/dbraw/zinc/42/22/26/570422226.db2.gz XEHXPWCIHLNWRD-UHFFFAOYSA-N -1 3 395.333 3.810 40 0 GHABHM CNC(=O)/C=C/c1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1 ZINC000223288989 570456248 /nfs/dbraw/zinc/45/62/48/570456248.db2.gz GTCXTUHEOJJBJB-JXMROGBWSA-N -1 3 385.272 3.553 40 0 GHABHM O=C(Cc1nc2c(c(=O)[n-]1)[C@H]1CCCC[C@@H]1S2)Nc1ccc(Cl)cc1 ZINC000006448257 570480237 /nfs/dbraw/zinc/48/02/37/570480237.db2.gz LWIPSMDAUJHFOB-STQMWFEESA-N -1 3 375.881 3.736 40 0 GHABHM O=C([N-]C(=S)Nc1ccccc1N1CCCCC1)C(Cl)(Cl)Cl ZINC000006615686 570484820 /nfs/dbraw/zinc/48/48/20/570484820.db2.gz NNVGXJIRKBZZEA-UHFFFAOYSA-N -1 3 380.728 3.860 40 0 GHABHM Cn1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c1 ZINC000224884780 570536464 /nfs/dbraw/zinc/53/64/64/570536464.db2.gz GNOXMTPANRGCAE-ROUUACIJSA-N -1 3 384.892 3.956 40 0 GHABHM O=C(CC1CCCCC1)N1CCC(c2nc(-c3ccncc3)cc(=O)[n-]2)CC1 ZINC000012256549 570630893 /nfs/dbraw/zinc/63/08/93/570630893.db2.gz JAKUDJFSWGXWRY-UHFFFAOYSA-N -1 3 380.492 3.921 40 0 GHABHM O=C(CCC1CCCC1)N1CCC[C@H](c2nc(-c3ccncc3)cc(=O)[n-]2)C1 ZINC000012256862 570631436 /nfs/dbraw/zinc/63/14/36/570631436.db2.gz YTNUFRLPVNLYEQ-SFHVURJKSA-N -1 3 380.492 3.921 40 0 GHABHM CC[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)c(Cl)c1 ZINC000044883214 570638612 /nfs/dbraw/zinc/63/86/12/570638612.db2.gz BOBLZQYGPATSBR-CYBMUJFWSA-N -1 3 380.897 3.978 40 0 GHABHM COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]Cc2cccc3ccccc32)c1 ZINC000063764466 570750256 /nfs/dbraw/zinc/75/02/56/570750256.db2.gz NWHLZOSIUSBYLV-UHFFFAOYSA-N -1 3 389.860 3.758 40 0 GHABHM COc1ccc(C(=O)NC(=S)Nc2cc(C)c([O-])c(Br)c2)cc1 ZINC000226243976 570935596 /nfs/dbraw/zinc/93/55/96/570935596.db2.gz NBCSUPKCQKLBIO-UHFFFAOYSA-N -1 3 395.278 3.599 40 0 GHABHM CCCC(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(C1CCCCC1)C2 ZINC000019501408 210254465 /nfs/dbraw/zinc/25/44/65/210254465.db2.gz CRORMQISPTWTOL-LJQANCHMSA-N -1 3 386.540 3.727 40 0 GHABHM O=C(CSc1n[n-]c(-c2ccccn2)n1)c1ccc(Br)cc1 ZINC000408581574 231067160 /nfs/dbraw/zinc/06/71/60/231067160.db2.gz IZGZEPKBCKBULT-UHFFFAOYSA-N -1 3 375.251 3.604 40 0 GHABHM Cc1cc(C)cc(OCC(=O)N2NC3=C(CCCCC3)[C@]2([O-])C(F)(F)F)c1 ZINC000408949753 231133967 /nfs/dbraw/zinc/13/39/67/231133967.db2.gz FZBBYHNEKBPJCP-YJBOKZPZSA-N -1 3 384.398 3.712 40 0 GHABHM C=Cn1ncc(CN2CCC(c3cc(=O)[n-]c(-c4cccc(C)c4)n3)CC2)c1C ZINC000019235535 210232815 /nfs/dbraw/zinc/23/28/15/210232815.db2.gz CQDUJOVFHSVTOM-UHFFFAOYSA-N -1 3 389.503 3.730 40 0 GHABHM CCOC(=O)c1cccc([N-]S(=O)(=O)Cc2c(F)cccc2Cl)c1C ZINC000013632284 210073485 /nfs/dbraw/zinc/07/34/85/210073485.db2.gz HRTNOWOLPAMIJC-UHFFFAOYSA-N -1 3 385.844 3.906 40 0 GHABHM O=c1cc(-c2ccccn2)nc(C2CCN(Cc3ccc(F)c(F)c3)CC2)[n-]1 ZINC000013267958 210057154 /nfs/dbraw/zinc/05/71/54/210057154.db2.gz ZQQLPQUDZFYKSM-UHFFFAOYSA-N -1 3 382.414 3.902 40 0 GHABHM CC(C)[C@@H](NCc1ccc(F)cc1)c1cc(=O)n2[n-]c(C3CCOCC3)cc2n1 ZINC000100769450 211391206 /nfs/dbraw/zinc/39/12/06/211391206.db2.gz GWTUNJIXEYWSKI-JOCHJYFZSA-N -1 3 398.482 3.955 40 0 GHABHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(Br)cc3)c2)n1 ZINC000047318291 210840364 /nfs/dbraw/zinc/84/03/64/210840364.db2.gz IUGQSBRRAVTSAG-UHFFFAOYSA-N -1 3 384.233 3.760 40 0 GHABHM O=C(Cc1cnc(-c2ccc(Cl)cc2)[n-]c1=O)NCc1ccc(Cl)cc1 ZINC000019937577 210309279 /nfs/dbraw/zinc/30/92/79/210309279.db2.gz YRKNVGQNAIKEKL-UHFFFAOYSA-N -1 3 388.254 3.603 40 0 GHABHM Cc1ccccc1-c1cc(=O)[n-]c(N2CCN(c3ccc(Cl)cc3)CC2)n1 ZINC000014608490 136201603 /nfs/dbraw/zinc/20/16/03/136201603.db2.gz PMTZYVFUCYTWBV-UHFFFAOYSA-N -1 3 380.879 3.725 40 0 GHABHM O=C(CSCc1ccccc1)N1NC2=C(CCCCC2)[C@]1([O-])C(F)(F)F ZINC000409356024 534668432 /nfs/dbraw/zinc/66/84/32/534668432.db2.gz DPNOENHIWAFDMS-YOEHRIQHSA-N -1 3 386.439 3.949 40 0 GHABHM CC(C)(C)[C@@H]1CCC2=C(C1)[C@](O)(C(F)(F)F)N(C(=O)c1cccc([O-])c1)N2 ZINC000409098683 526648224 /nfs/dbraw/zinc/64/82/24/526648224.db2.gz JHYCOBQUJZSHJX-DFHBCGBQSA-N -1 3 384.398 3.917 40 0 GHABHM CCOC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1OCC ZINC000408587184 529107441 /nfs/dbraw/zinc/10/74/41/529107441.db2.gz RZPREAAQUDTYDE-UHFFFAOYSA-N -1 3 382.413 3.594 40 0 GHABHM COc1ccc(S(=O)(=O)[N-]CCSC2CCCC2)c(Cl)c1Cl ZINC000223829927 570486263 /nfs/dbraw/zinc/48/62/63/570486263.db2.gz UXGLJVAAUDYKSU-UHFFFAOYSA-N -1 3 384.350 3.956 40 0 GHABHM COc1ccc([C@H](CC(C)C)NC(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1 ZINC000030847433 570497865 /nfs/dbraw/zinc/49/78/65/570497865.db2.gz BQDHPUSUEYOMHO-IBGZPJMESA-N -1 3 390.505 3.584 40 0 GHABHM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1C ZINC000224599314 570520164 /nfs/dbraw/zinc/52/01/64/570520164.db2.gz ICWVCKPPZGOCNL-UXHICEINSA-N -1 3 378.501 3.920 40 0 GHABHM Cc1cccc(CC(=O)N2CCC[C@@H](c3nc(-c4ccncc4)cc(=O)[n-]3)C2)c1 ZINC000012256935 570631546 /nfs/dbraw/zinc/63/15/46/570631546.db2.gz PVLOJADQCNMDQG-LJQANCHMSA-N -1 3 388.471 3.501 40 0 GHABHM CC[C@H](NC(=O)c1ccc([N-]S(C)(=O)=O)c(Cl)c1)c1ccc(C)cc1 ZINC000044846382 570635271 /nfs/dbraw/zinc/63/52/71/570635271.db2.gz FBSAINNKZGVHQH-INIZCTEOSA-N -1 3 380.897 3.901 40 0 GHABHM CC[C@H](C)N1C(=O)S/C(=C/c2cc(Br)c([O-])c(OC)c2)C1=O ZINC000409010082 570693103 /nfs/dbraw/zinc/69/31/03/570693103.db2.gz JLCYAECFZQWXOJ-OTIXFSKASA-N -1 3 386.267 3.998 40 0 GHABHM Cc1cc(NC(=S)NC(=O)c2ccccc2F)cc(Br)c1[O-] ZINC000226243685 570935577 /nfs/dbraw/zinc/93/55/77/570935577.db2.gz PLYKVRBYGKCZQI-UHFFFAOYSA-N -1 3 383.242 3.729 40 0 GHABHM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCCC3)c2)c(C)c1 ZINC000408598158 231074347 /nfs/dbraw/zinc/07/43/47/231074347.db2.gz XMYNZYLUXZNINL-UHFFFAOYSA-N -1 3 386.517 3.957 40 0 GHABHM O=C(CSc1n[n-]c(COc2ccccc2F)n1)Nc1ccccc1Cl ZINC000409384992 231198670 /nfs/dbraw/zinc/19/86/70/231198670.db2.gz HCRZFUHMEFBMQL-UHFFFAOYSA-N -1 3 392.843 3.907 40 0 GHABHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccncc2)c(C)c1 ZINC000013115720 221261675 /nfs/dbraw/zinc/26/16/75/221261675.db2.gz FVAZHGFOSSHRCS-FKBYEOEOSA-N -1 3 399.450 3.750 40 0 GHABHM CC(C)C1=C[C@]([O-])(C(F)(F)F)N(C(=O)COc2ccc(Cl)cc2Cl)N1 ZINC000409058597 527626256 /nfs/dbraw/zinc/62/62/56/527626256.db2.gz TWAADENKKZLABR-AWEZNQCLSA-N -1 3 399.196 3.867 40 0 GHABHM Cc1[n-]n(-c2ccccc2)c(=O)c1[C@@H](c1ccc2c(c1)OCO2)N1CCCCC1 ZINC000103702612 528152616 /nfs/dbraw/zinc/15/26/16/528152616.db2.gz PUJSOUOYRDPRTO-FGZHOGPDSA-N -1 3 391.471 3.981 40 0 GHABHM CCOc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1NC(=O)CC ZINC000408696916 528587543 /nfs/dbraw/zinc/58/75/43/528587543.db2.gz GEHYVXBUMPQFCF-UHFFFAOYSA-N -1 3 376.478 3.851 40 0 GHABHM CCOC(=O)Nc1cc(S(=O)(=O)[N-]c2ccccc2CC)ccc1OC ZINC000408585685 529107161 /nfs/dbraw/zinc/10/71/61/529107161.db2.gz IDLBLUFPAVOKDU-UHFFFAOYSA-N -1 3 378.450 3.627 40 0 GHABHM CCOc1ccc([C@H](C)NC(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)cc1 ZINC000020490720 570263084 /nfs/dbraw/zinc/26/30/84/570263084.db2.gz WZUXMSIRLJEUTG-LBPRGKRZSA-N -1 3 396.896 3.601 40 0 GHABHM Cc1ccc(CS(=O)(=O)[N-]Cc2nc(-c3ccc(C(C)(C)C)cc3)no2)cc1 ZINC000223626487 570475485 /nfs/dbraw/zinc/47/54/85/570475485.db2.gz UQZPROAAQYJASE-UHFFFAOYSA-N -1 3 399.516 3.962 40 0 GHABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(SC)c(NC(C)=O)c2)cc1 ZINC000223742578 570482552 /nfs/dbraw/zinc/48/25/52/570482552.db2.gz NDHKOEYOUJOMEK-UHFFFAOYSA-N -1 3 380.491 3.566 40 0 GHABHM COc1ccc(Cl)cc1S(=O)(=O)[N-]CCOc1ccc(C)c(Cl)c1 ZINC000224189703 570503099 /nfs/dbraw/zinc/50/30/99/570503099.db2.gz HAVWRBBPZRPFPH-UHFFFAOYSA-N -1 3 390.288 3.668 40 0 GHABHM CCOC(=O)c1cc([N-]S(=O)(=O)c2c(C)cc(OC)cc2C)ccc1Cl ZINC000224548601 570517632 /nfs/dbraw/zinc/51/76/32/570517632.db2.gz WYGAGAWHRXWUIB-UHFFFAOYSA-N -1 3 397.880 3.943 40 0 GHABHM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1C ZINC000224599404 570520044 /nfs/dbraw/zinc/52/00/44/570520044.db2.gz ICWVCKPPZGOCNL-PMACEKPBSA-N -1 3 378.501 3.920 40 0 GHABHM CCc1cc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)ccc1OC ZINC000224894059 570536875 /nfs/dbraw/zinc/53/68/75/570536875.db2.gz MATHZPDYCKKLPG-UHFFFAOYSA-N -1 3 375.368 3.957 40 0 GHABHM O=C1[C@H]2C(=C([O-])N1c1ccccc1F)ON(c1ccccc1)[C@@H]2c1ccccc1 ZINC000101026861 570603384 /nfs/dbraw/zinc/60/33/84/570603384.db2.gz IMEVDSRFMICGCF-NJYVYQBISA-N -1 3 388.398 3.877 40 0 GHABHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccncc2)c(C)c1 ZINC000101057376 570616926 /nfs/dbraw/zinc/61/69/26/570616926.db2.gz FVAZHGFOSSHRCS-FSSWDIPSSA-N -1 3 399.450 3.750 40 0 GHABHM CCNC(=O)c1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)cs1 ZINC000006681618 570671924 /nfs/dbraw/zinc/67/19/24/570671924.db2.gz PGSJBDCFVOKPAY-UHFFFAOYSA-N -1 3 379.290 3.605 40 0 GHABHM Cc1cccc(C)c1NC(=O)C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000007304479 570757894 /nfs/dbraw/zinc/75/78/94/570757894.db2.gz DNSGXSYIMNJCSA-UHFFFAOYSA-N -1 3 387.288 3.527 40 0 GHABHM CCOc1ccc(NC(=N)Nc2nc(C)c(Cc3ccccc3)c(=O)[n-]2)cc1 ZINC000017077209 570916388 /nfs/dbraw/zinc/91/63/88/570916388.db2.gz JTJMTDKFSQCAQC-UHFFFAOYSA-N -1 3 377.448 3.527 40 0 GHABHM Cc1ccc(C(=O)NC(=S)N=c2[nH]c3ccc([O-])cc3s2)cc1Cl ZINC000017077303 570916849 /nfs/dbraw/zinc/91/68/49/570916849.db2.gz AWHJSICWFDRFLL-UHFFFAOYSA-N -1 3 377.878 3.512 40 0 GHABHM CCCCOC(=O)c1ccc2[nH]c(=NC(=S)[N-]C(=O)C(C)(C)C)sc2c1 ZINC000020411591 570945939 /nfs/dbraw/zinc/94/59/39/570945939.db2.gz SNGLITRQYXGCOS-UHFFFAOYSA-N -1 3 393.534 3.534 40 0 GHABHM O=c1cc([C@H]2CCCCN2Cc2c(F)cccc2F)nc(-c2ccncc2)[n-]1 ZINC000019292652 570972857 /nfs/dbraw/zinc/97/28/57/570972857.db2.gz BSWQBCHLMYHUNN-LJQANCHMSA-N -1 3 382.414 3.837 40 0 GHABHM COc1cccc(CN2CCCC[C@@H]2c2cc(=O)[n-]c(-c3ccccn3)n2)c1 ZINC000019565221 571007600 /nfs/dbraw/zinc/00/76/00/571007600.db2.gz KDBHYXYYMMXAKC-HXUWFJFHSA-N -1 3 376.460 3.980 40 0 GHABHM Cc1cccc(N2C[C@H](c3cc(=O)[n-]c(N4CCC[C@@H](C)C4)n3)CC2=O)c1C ZINC000253603645 871896049 /nfs/dbraw/zinc/89/60/49/871896049.db2.gz IXXSWFWJYPTZNN-RHSMWYFYSA-N -1 3 380.492 3.556 40 0 GHABHM Cc1cc(C)cc(OCC(=O)N2NC(CCC(C)C)=C[C@@]2([O-])C(F)(F)F)c1 ZINC000408956562 231135105 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383.414 3.997 40 0 GHABHM CCOC(=O)COc1ccc(S(=O)(=O)[N-]c2c(CC)cccc2CC)cc1 ZINC000006362078 570362909 /nfs/dbraw/zinc/36/29/09/570362909.db2.gz ADGRIKBDFHJJAC-UHFFFAOYSA-N -1 3 391.489 3.554 40 0 GHABHM CCCN1C(=O)S/C(=C/c2cc(Br)c([O-])c(OCC)c2)C1=O ZINC000006654758 570380116 /nfs/dbraw/zinc/38/01/16/570380116.db2.gz MTDGMHTVANTLGP-XYOKQWHBSA-N -1 3 386.267 4.000 40 0 GHABHM CCOC(=O)c1cccc([N-]S(=O)(=O)c2c(C)cc(OC)cc2C)c1C ZINC000223471737 570467991 /nfs/dbraw/zinc/46/79/91/570467991.db2.gz CJUGNJLWMDNVEQ-UHFFFAOYSA-N -1 3 377.462 3.598 40 0 GHABHM COc1ccc(Cl)cc1S(=O)(=O)[N-]CCOc1cccc2ccccc21 ZINC000223576375 570472424 /nfs/dbraw/zinc/47/24/24/570472424.db2.gz USNHLQGHROUQMR-UHFFFAOYSA-N -1 3 391.876 3.859 40 0 GHABHM CC[C@@H](NC(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl)c1ccc(C)cc1 ZINC000030755147 570495244 /nfs/dbraw/zinc/49/52/44/570495244.db2.gz SSPSUKRFIXAVIV-QGZVFWFLSA-N -1 3 380.897 3.901 40 0 GHABHM CC[C@H](NC(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl)c1ccc(C)cc1 ZINC000030755149 570495257 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GHABHM Cc1cc(C)c(OCC(=O)N2NC3=C(CCC[C@H]3C)[C@@]2([O-])C(F)(F)F)c(C)c1 ZINC000409179771 231175674 /nfs/dbraw/zinc/17/56/74/231175674.db2.gz NQMSSJSJKABNBS-XFHNUULXSA-N -1 3 398.425 3.876 40 0 GHABHM CNc1ncccc1CN1CCC[C@H](c2cc(=O)[n-]c(-c3cccs3)n2)C1 ZINC000012326629 221182917 /nfs/dbraw/zinc/18/29/17/221182917.db2.gz VHNUXGQUTJGPOA-AWEZNQCLSA-N -1 3 381.505 3.727 40 0 GHABHM O=C(CC1CCCCC1)N1CCC(c2nc(-c3cccnc3)cc(=O)[n-]2)CC1 ZINC000012234374 221171683 /nfs/dbraw/zinc/17/16/83/221171683.db2.gz XWPGJIAZABVKRU-UHFFFAOYSA-N -1 3 380.492 3.921 40 0 GHABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(-n3cc(Br)cn3)cc2)cc1 ZINC000027918187 221661988 /nfs/dbraw/zinc/66/19/88/221661988.db2.gz RTJCOQHIDLSUHB-UHFFFAOYSA-N -1 3 392.278 3.744 40 0 GHABHM CCN(CC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2F)cc1 ZINC000408596612 528047033 /nfs/dbraw/zinc/04/70/33/528047033.db2.gz XEDGKFWOQQYLKQ-UHFFFAOYSA-N -1 3 383.420 3.639 40 0 GHABHM CCOc1ccc(S(=O)(=O)[N-]c2cc(C)cc(C)c2)cc1NC(=O)CC ZINC000408698063 528588184 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O=S(=O)(Cc1c(F)cccc1Cl)[N-]CCOc1ccccc1Cl ZINC000224180896 570502735 /nfs/dbraw/zinc/50/27/35/570502735.db2.gz SLZZKOORECVNAY-UHFFFAOYSA-N -1 3 378.252 3.631 40 0 GHABHM Cc1cc(OCC(=O)N2NC(CC(C)C)=C[C@]2([O-])C(F)(F)F)ccc1Cl ZINC000032100749 570508479 /nfs/dbraw/zinc/50/84/79/570508479.db2.gz OLSMNYLGFFHSNO-INIZCTEOSA-N -1 3 392.805 3.913 40 0 GHABHM CC[C@@H](NC(=O)c1ccc([N-]S(C)(=O)=O)c(Cl)c1)c1ccc(C)cc1 ZINC000044846385 570635343 /nfs/dbraw/zinc/63/53/43/570635343.db2.gz FBSAINNKZGVHQH-MRXNPFEDSA-N -1 3 380.897 3.901 40 0 GHABHM Cc1nc(N2CCN(c3ccccc3)CC2)[n-]c(=O)c1Cc1ccccc1Cl ZINC000007496444 570759586 /nfs/dbraw/zinc/75/95/86/570759586.db2.gz NNTZTZYKXLRHHZ-UHFFFAOYSA-N -1 3 394.906 3.649 40 0 GHABHM COc1ccccc1C(=O)NC(=S)Nc1cc(C)c([O-])c(Br)c1 ZINC000226243850 570935495 /nfs/dbraw/zinc/93/54/95/570935495.db2.gz UIYHZKGJYLEDHN-UHFFFAOYSA-N -1 3 395.278 3.599 40 0 GHABHM CCCC(=O)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(C1CCCCC1)C2 ZINC000019501409 570992956 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384.398 3.917 40 0 GHABHM CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)ccc1C ZINC000408606870 528227110 /nfs/dbraw/zinc/22/71/10/528227110.db2.gz PDHBJHGSFDAAMJ-UHFFFAOYSA-N -1 3 387.288 3.852 40 0 GHABHM CCC(=O)Nc1cc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C)ccc1OC ZINC000408699372 528424722 /nfs/dbraw/zinc/42/47/22/528424722.db2.gz WMNLZAPDGQYDPD-UHFFFAOYSA-N -1 3 376.478 3.770 40 0 GHABHM CCC(C)(C)[C@@H]1CCC2=C(C1)[C@]([O-])(C(F)(F)F)N(C(=O)c1ccncc1)N2 ZINC000409352393 528595401 /nfs/dbraw/zinc/59/54/01/528595401.db2.gz YSDQEZCFTNNIMK-GLJUWKHASA-N -1 3 383.414 3.997 40 0 GHABHM C[C@@H]1C[C@H]1C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(C1CCCCC1)C2 ZINC000096319725 570229025 /nfs/dbraw/zinc/22/90/25/570229025.db2.gz JCOVILCFVSITPQ-XFQXTVEOSA-N -1 3 398.551 3.583 40 0 GHABHM COc1ccc([C@H](C)NC(=O)Cc2cnc(-c3ccc(Cl)cc3)[n-]c2=O)cc1 ZINC000019937729 570231976 /nfs/dbraw/zinc/23/19/76/570231976.db2.gz UUTNGVQEHYOIMV-ZDUSSCGKSA-N -1 3 397.862 3.519 40 0 GHABHM Cc1ccc([C@H](NC(=O)c2ccc([N-]S(C)(=O)=O)cc2)c2ccccc2)cc1 ZINC000020045324 570237391 /nfs/dbraw/zinc/23/73/91/570237391.db2.gz AWGJZYGOQXODMR-OAQYLSRUSA-N -1 3 394.496 3.886 40 0 GHABHM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)cc2)ccc1C ZINC000223824631 570485762 /nfs/dbraw/zinc/48/57/62/570485762.db2.gz KMDYITJOVKCDGC-UHFFFAOYSA-N -1 3 389.473 3.904 40 0 GHABHM O=C(c1ccc([O-])cc1)N1N=C(c2ccc(Cl)cc2)C[C@]1(O)C(F)(F)F ZINC000032101181 570508405 /nfs/dbraw/zinc/50/84/05/570508405.db2.gz QIHSDHIITYPNSY-INIZCTEOSA-N -1 3 384.741 3.547 40 0 GHABHM O=C(c1ccccc1)N1CCc2cc(S(=O)(=O)[N-]c3ccccc3F)ccc21 ZINC000028206569 570528324 /nfs/dbraw/zinc/52/83/24/570528324.db2.gz XQNAOHZQVZLFSG-UHFFFAOYSA-N -1 3 396.443 3.829 40 0 GHABHM CCn1c2ccc([N-]S(=O)(=O)c3ccc(OC)c(C)c3C)cc2sc1=O ZINC000225125469 570550493 /nfs/dbraw/zinc/55/04/93/570550493.db2.gz WNAZCTJNDQFXLY-UHFFFAOYSA-N -1 3 392.502 3.509 40 0 GHABHM C[C@@H]1CCC[C@H](C)N1C(=O)CSc1nnc([N-]C(=O)c2cccs2)s1 ZINC000004410388 570629238 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Cc1cccc(NC(=O)C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1C ZINC000016085396 856420429 /nfs/dbraw/zinc/42/04/29/856420429.db2.gz XKHQIMYEZIKHKM-UHFFFAOYSA-N -1 3 387.288 3.527 40 0 GHABHM O=C([O-])[C@@H](Cc1ccc(Cl)c(Cl)c1)N1CCN(c2ccccc2)CC1 ZINC000225146316 231033441 /nfs/dbraw/zinc/03/34/41/231033441.db2.gz ZKKWENPPIGGLNE-GOSISDBHSA-N -1 3 379.287 3.811 40 0 GHABHM O=Cc1ccc(-c2ccc(Cl)c(C(=O)OCC(=O)Nc3ccccc3[O-])c2)o1 ZINC000408599075 231074313 /nfs/dbraw/zinc/07/43/13/231074313.db2.gz DLWORCVNDRIPLW-UHFFFAOYSA-N -1 3 399.786 3.914 40 0 GHABHM O=S(=O)([N-]CCSC1CCCCC1)c1ccc(Br)s1 ZINC000409172738 231174944 /nfs/dbraw/zinc/17/49/44/231174944.db2.gz HRNBLMQTVZDNLZ-UHFFFAOYSA-N -1 3 384.386 3.855 40 0 GHABHM O=C(COc1ccc(F)cc1)N1NC(C2CCCCC2)=C[C@@]1([O-])C(F)(F)F ZINC000409346783 231194038 /nfs/dbraw/zinc/19/40/38/231194038.db2.gz PNAQCDSRVKNNJS-QGZVFWFLSA-N -1 3 388.361 3.624 40 0 GHABHM CNC(=O)/C=C/c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1 ZINC000223289081 222630247 /nfs/dbraw/zinc/63/02/47/222630247.db2.gz GXUIZLFHBJZGDP-RUDMXATFSA-N -1 3 385.272 3.553 40 0 GHABHM O=S(=O)([N-]Cc1ccc(OCc2ccc(F)cc2)cc1)c1cccs1 ZINC000223703965 222640103 /nfs/dbraw/zinc/64/01/03/222640103.db2.gz PYWCWEXZRMEPSK-UHFFFAOYSA-N -1 3 377.462 3.945 40 0 GHABHM C[C@@H]1CC[C@@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@]12Cc1c(c3c(cc1[O-])C(=O)NC3)O2 ZINC000013367837 221266951 /nfs/dbraw/zinc/26/69/51/221266951.db2.gz ZSVLMDBFFSSVAK-WFBUDIMJSA-N -1 3 385.504 3.543 40 0 biogenic,in-vitro GHABHM COc1ccc(C)cc1NC(=O)Cc1cnc(-c2ccc(Cl)cc2)[n-]c1=O ZINC000019937649 570231861 /nfs/dbraw/zinc/23/18/61/570231861.db2.gz NCSSXBTWSWVPFC-UHFFFAOYSA-N -1 3 383.835 3.589 40 0 GHABHM C[C@H](CCc1ccccc1)NC(=O)Cc1cnc(-c2ccc(Cl)cc2)[n-]c1=O ZINC000019937714 570232156 /nfs/dbraw/zinc/23/21/56/570232156.db2.gz MTUZIGIFKHRMAM-OAHLLOKOSA-N -1 3 395.890 3.770 40 0 GHABHM CS(=O)(=O)[N-]c1ccc(C(=O)N[C@H]2CCCc3ccccc32)c(Cl)c1 ZINC000020461887 570260735 /nfs/dbraw/zinc/26/07/35/570260735.db2.gz WKCFGQJVGYPXQB-KRWDZBQOSA-N -1 3 378.881 3.519 40 0 GHABHM COc1ccc([C@@H](c2c([O-])c3ccccc3oc2=O)N2CCCC2)c(OC)c1 ZINC000104241845 570299812 /nfs/dbraw/zinc/29/98/12/570299812.db2.gz BPCIYXKSFOCOMQ-FQEVSTJZSA-N -1 3 381.428 3.701 40 0 GHABHM O=C(NCc1ccco1)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000022508770 570318702 /nfs/dbraw/zinc/31/87/02/570318702.db2.gz PJUPEPKXCVPJKS-UHFFFAOYSA-N -1 3 390.848 3.664 40 0 GHABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CC(C)(C)Oc2ccccc21 ZINC000223942348 570491475 /nfs/dbraw/zinc/49/14/75/570491475.db2.gz DXNYDGYTOWOYAL-CQSZACIVSA-N -1 3 381.881 3.929 40 0 GHABHM CCCC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)c2cccc(Br)c2)N1 ZINC000032138922 570509920 /nfs/dbraw/zinc/50/99/20/570509920.db2.gz RSCICMJRUKGCLN-CYBMUJFWSA-N -1 3 379.176 3.702 40 0 GHABHM O=C1[C@H]2C(=C([O-])N1c1ccccc1F)ON(c1ccccc1)[C@H]2c1ccccc1 ZINC000101026864 570603317 /nfs/dbraw/zinc/60/33/17/570603317.db2.gz IMEVDSRFMICGCF-HKBOAZHASA-N -1 3 388.398 3.877 40 0 GHABHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@@H](C)c1ccc(C)cc1 ZINC000033898823 570647235 /nfs/dbraw/zinc/64/72/35/570647235.db2.gz VWUOEVFLYZLZHR-LBPRGKRZSA-N -1 3 384.295 3.806 40 0 GHABHM O=C([O-])c1ccccc1-c1ccc(CN2CCC[C@@H](Cc3ncccn3)C2)o1 ZINC000585177732 570714089 /nfs/dbraw/zinc/71/40/89/570714089.db2.gz CCVKHRDWGNOIAW-INIZCTEOSA-N -1 3 377.444 3.890 40 0 GHABHM Cc1cc(NC(=O)c2cncc(Br)c2)cc(Br)c1[O-] ZINC000226243447 222705806 /nfs/dbraw/zinc/70/58/06/222705806.db2.gz UDSQOVRPKOOQJQ-UHFFFAOYSA-N -1 3 386.043 3.873 40 0 GHABHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@H](C)c1ccccc1C ZINC000016087432 221357024 /nfs/dbraw/zinc/35/70/24/221357024.db2.gz VONQGTOOUIJCDB-GFCCVEGCSA-N -1 3 384.295 3.806 40 0 GHABHM Cc1cccc(CC(=O)N[C@@H](Cc2cc(=O)[n-]c(C)n2)c2ccc(Cl)cc2)c1 ZINC000019234836 221401730 /nfs/dbraw/zinc/40/17/30/221401730.db2.gz DTCORNLDDNQHOM-FQEVSTJZSA-N -1 3 395.890 3.683 40 0 GHABHM COC(=O)COc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C(C)C)cc1C ZINC000408584430 533562778 /nfs/dbraw/zinc/56/27/78/533562778.db2.gz PRCQODSAXWHACK-UHFFFAOYSA-N -1 3 391.489 3.779 40 0 GHABHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1NC(=O)CC ZINC000408696894 528588138 /nfs/dbraw/zinc/58/81/38/528588138.db2.gz FVSTYWPPENXVRB-UHFFFAOYSA-N -1 3 376.478 3.851 40 0 GHABHM Cc1noc(C)c1S(=O)(=O)[N-]CCSCc1c(Cl)cccc1Cl ZINC000107467254 570310001 /nfs/dbraw/zinc/31/00/01/570310001.db2.gz ORJGONAWCACPLD-UHFFFAOYSA-N -1 3 395.333 3.810 40 0 GHABHM Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)c1 ZINC000022533424 570320682 /nfs/dbraw/zinc/32/06/82/570320682.db2.gz UBGXIJPTIBPBME-CYBMUJFWSA-N -1 3 380.897 3.819 40 0 GHABHM C[C@H](NC(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl)c1ccc2c(c1)CCC2 ZINC000223217291 570450731 /nfs/dbraw/zinc/45/07/31/570450731.db2.gz AKFKCKLSSPXLTL-LBPRGKRZSA-N -1 3 392.908 3.691 40 0 GHABHM O=C(Cc1nc2c(c(=O)[n-]1)[C@@H]1CCCC[C@@H]1S2)Nc1ccc(Cl)cc1 ZINC000006448261 570480269 /nfs/dbraw/zinc/48/02/69/570480269.db2.gz LWIPSMDAUJHFOB-OLZOCXBDSA-N -1 3 375.881 3.736 40 0 GHABHM O=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000223960512 570491796 /nfs/dbraw/zinc/49/17/96/570491796.db2.gz HFJFZYPHBZMHSQ-IQUTYRLHSA-N -1 3 388.464 3.545 40 0 GHABHM CCN(CC)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)c(Cl)c1 ZINC000030847660 570497740 /nfs/dbraw/zinc/49/77/40/570497740.db2.gz LBPARQWERJPCKL-UHFFFAOYSA-N -1 3 380.897 3.931 40 0 GHABHM Cc1cc(C(=O)Nc2ccc(Cc3ccncc3)cc2)ccc1[N-]S(C)(=O)=O ZINC000224087726 570498024 /nfs/dbraw/zinc/49/80/24/570498024.db2.gz VQCOBNDVPMATFH-UHFFFAOYSA-N -1 3 395.484 3.605 40 0 GHABHM COc1ccc([N-]S(=O)(=O)c2cc(C(C)C)c(OC)cc2C)cc1OC ZINC000225460964 570576622 /nfs/dbraw/zinc/57/66/22/570576622.db2.gz QAMHQHAQGKWGMP-UHFFFAOYSA-N -1 3 379.478 3.945 40 0 GHABHM CC(C)N(C(=O)CSc1nnc([N-]C(=O)c2cccs2)s1)C(C)C ZINC000004905228 570647507 /nfs/dbraw/zinc/64/75/07/570647507.db2.gz UYRACWRLUKTCEO-UHFFFAOYSA-N -1 3 384.552 3.589 40 0 GHABHM CC1(C)Oc2ccccc2[C@H]2OCC3(CN(C(=O)c4ccc([O-])cc4)C3)C[C@@H]21 ZINC000257220042 570762680 /nfs/dbraw/zinc/76/26/80/570762680.db2.gz DJGSNZALYOJKIG-AZUAARDMSA-N -1 3 379.456 3.783 40 0 GHABHM Cc1nc([C@@H]2CC[N@H+](Cc3ccc(-c4ccccc4C(=O)[O-])cc3)C2)cc(=O)[n-]1 ZINC000257270776 570773449 /nfs/dbraw/zinc/77/34/49/570773449.db2.gz MVPXGJIZJJSWDB-GOSISDBHSA-N -1 3 389.455 3.845 40 0 GHABHM CCNC(=O)c1cc(S(=O)(=O)[N-]c2c(C)cccc2C(C)C)ccc1OC ZINC000013681106 570773434 /nfs/dbraw/zinc/77/34/34/570773434.db2.gz BIFYPVYZXAOSHE-UHFFFAOYSA-N -1 3 390.505 3.678 40 0 GHABHM Cc1nc([C@@H]2CC[N@@H+](Cc3ccc(-c4ccccc4C(=O)[O-])cc3)C2)cc(=O)[n-]1 ZINC000257270776 570773452 /nfs/dbraw/zinc/77/34/52/570773452.db2.gz MVPXGJIZJJSWDB-GOSISDBHSA-N -1 3 389.455 3.845 40 0 GHABHM CC(C)(C)c1ccc(C(=O)NC(=S)N=c2[nH]c3ccc([O-])cc3s2)cc1 ZINC000017078727 570917707 /nfs/dbraw/zinc/91/77/07/570917707.db2.gz ZTZZTJMPKKLLOU-UHFFFAOYSA-N -1 3 385.514 3.848 40 0 GHABHM O=c1[n-]c(-c2ccncc2)nc2c1CCN(CC1(c3ccc(Cl)cc3)CC1)C2 ZINC000019332793 570975569 /nfs/dbraw/zinc/97/55/69/570975569.db2.gz JUXYSFSZEOBKOX-UHFFFAOYSA-N -1 3 392.890 3.575 40 0 GHABHM O=C(N[C@H](Cc1cc(=O)[n-]c(C2CC2)n1)c1ccccc1)c1cccc(F)c1 ZINC000019369280 570980696 /nfs/dbraw/zinc/98/06/96/570980696.db2.gz VRJXNRLVLOGZCR-LJQANCHMSA-N -1 3 377.419 3.500 40 0 GHABHM CC(C)c1nc(C[C@H](NC(=O)Cc2ccccc2)c2ccccc2)cc(=O)[n-]1 ZINC000019453568 570986076 /nfs/dbraw/zinc/98/60/76/570986076.db2.gz RQJYFWAOSRLBSS-FQEVSTJZSA-N -1 3 375.472 3.536 40 0 GHABHM Cc1ccc(C(=O)[N-]N2C(=O)/C(=C/c3ccccn3)SC2=S)c(Cl)c1 ZINC000006965024 856389129 /nfs/dbraw/zinc/38/91/29/856389129.db2.gz HZVCAVOMUBSFOU-ZROIWOOFSA-N -1 3 389.889 3.590 40 0 GHABHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)NCC(C)C)cc1 ZINC000408584400 231067750 /nfs/dbraw/zinc/06/77/50/231067750.db2.gz PJQDYLUGEUQRFO-UHFFFAOYSA-N -1 3 375.494 3.882 40 0 GHABHM Cc1ccc(C2=NN(C(=O)c3cccc(C)c3[O-])[C@](O)(C(F)(F)F)C2)cc1 ZINC000000910734 212194154 /nfs/dbraw/zinc/19/41/54/212194154.db2.gz DFXCDYCGABHIFR-GOSISDBHSA-N -1 3 378.350 3.510 40 0 GHABHM COc1ccc(Br)cc1S(=O)(=O)[N-]Cc1ccc(Cl)cc1 ZINC000016088982 221357696 /nfs/dbraw/zinc/35/76/96/221357696.db2.gz HTXICHBTDXWPAZ-UHFFFAOYSA-N -1 3 390.686 3.590 40 0 GHABHM O=C(CN1C(=O)S/C(=C\C=C\c2ccccc2)C1=O)Nc1ccccc1[O-] ZINC000016711941 221369602 /nfs/dbraw/zinc/36/96/02/221369602.db2.gz ORAFPFXVNNVFAP-NPDFUIFFSA-N -1 3 380.425 3.623 40 0 GHABHM CC1CCN(c2nc3c(c(=O)[n-]2)CCN(Cc2cnc4ccccc4c2)C3)CC1 ZINC000072335474 136168419 /nfs/dbraw/zinc/16/84/19/136168419.db2.gz QYHIILHPJVBZIU-UHFFFAOYSA-N -1 3 389.503 3.525 40 0 GHABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC)c(NC(=O)CC)c2)cc1 ZINC000408697042 528555943 /nfs/dbraw/zinc/55/59/43/528555943.db2.gz GLDDSKIPWHHEMZ-UHFFFAOYSA-N -1 3 392.477 3.633 40 0 GHABHM CCOc1ccc(S(=O)(=O)[N-]c2c(CC)cccc2CC)cc1NC(C)=O ZINC000408553968 528587405 /nfs/dbraw/zinc/58/74/05/528587405.db2.gz AMNLHDIWWWFMBN-UHFFFAOYSA-N -1 3 390.505 3.969 40 0 GHABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCC(C)C)cc2Cl)cc1 ZINC000020453312 570257887 /nfs/dbraw/zinc/25/78/87/570257887.db2.gz QCIMHFVLTZMXPA-UHFFFAOYSA-N -1 3 380.897 3.835 40 0 GHABHM CCc1ccc(-n2c(O)c3n(-c4ccccc4)[n-]c(-c4ccco4)c-3c2=O)cc1 ZINC000101460712 570283542 /nfs/dbraw/zinc/28/35/42/570283542.db2.gz JEXBYCCOIRVSBY-FPOVZHCZSA-N -1 3 385.423 3.625 40 0 GHABHM CCC(C)(C)NC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(OC)cc2)c1 ZINC000224062674 570496821 /nfs/dbraw/zinc/49/68/21/570496821.db2.gz YPVYZDIEFPKTOA-UHFFFAOYSA-N -1 3 390.505 3.723 40 0 GHABHM Cc1ccc(OCC[N-]S(=O)(=O)Cc2c(F)cccc2Cl)cc1Cl ZINC000224152098 570501180 /nfs/dbraw/zinc/50/11/80/570501180.db2.gz FWGJBPISAOVADW-UHFFFAOYSA-N -1 3 392.279 3.939 40 0 GHABHM CCCc1ccc(OCC[N-]S(=O)(=O)c2cc(Cl)ccc2OC)cc1 ZINC000225196870 570555355 /nfs/dbraw/zinc/55/53/55/570555355.db2.gz GLWLPMGPLFTQCS-UHFFFAOYSA-N -1 3 383.897 3.658 40 0 GHABHM Cc1cc(C(=O)N2CCC[C@H]2c2ncc(Cc3cccc(Cl)c3)o2)[n-]c(=O)n1 ZINC000257218742 570762811 /nfs/dbraw/zinc/76/28/11/570762811.db2.gz DEGVHETYNGGELW-KRWDZBQOSA-N -1 3 398.850 3.700 40 0 GHABHM Nc1nccc([C@@H]2CCCN(Cc3ccc(-c4ccccc4C(=O)[O-])cc3)C2)n1 ZINC000257308301 570779416 /nfs/dbraw/zinc/77/94/16/570779416.db2.gz TWFZIXZUHVLJQT-GOSISDBHSA-N -1 3 388.471 3.804 40 0 GHABHM Cn1cnnc1C1CCN(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)CC1 ZINC000257325599 570781997 /nfs/dbraw/zinc/78/19/97/570781997.db2.gz WTRBOTODBAZGNZ-UHFFFAOYSA-N -1 3 376.460 3.560 40 0 GHABHM Cc1ccc(C(=O)N[C@@H](Cc2cc(=O)[n-]c(C3CC3)n2)c2ccc(F)cc2)s1 ZINC000019217076 570961876 /nfs/dbraw/zinc/96/18/76/570961876.db2.gz OGIWPYMEUAGPFD-KRWDZBQOSA-N -1 3 397.475 3.870 40 0 GHABHM O=C(COc1ccccc1)N1CCCC[C@@H]1c1nc(-c2ccsc2)cc(=O)[n-]1 ZINC000019373451 570981622 /nfs/dbraw/zinc/98/16/22/570981622.db2.gz CRNFKOFSBVCWMH-GOSISDBHSA-N -1 3 395.484 3.631 40 0 GHABHM CC(C)(C)OC(=O)N1CCCN([C@H](C(=O)[O-])c2ccc3ccccc3c2)CC1 ZINC000090635862 570998165 /nfs/dbraw/zinc/99/81/65/570998165.db2.gz MAKZZXDCBWXPEM-IBGZPJMESA-N -1 3 384.476 3.908 40 0 GHABHM CCN(CC)c1ccc2cc(C(=O)[N-]C(=O)Oc3ccccc3)c(=O)oc2c1 ZINC000001614351 212251027 /nfs/dbraw/zinc/25/10/27/212251027.db2.gz KBUBZCZGTCSBIA-UHFFFAOYSA-N -1 3 380.400 3.568 40 0 GHABHM COc1ccc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C)cc1C(=O)NC(C)C ZINC000010009018 221095105 /nfs/dbraw/zinc/09/51/05/221095105.db2.gz LRDNZVHWHLXVPL-UHFFFAOYSA-N -1 3 390.505 3.559 40 0 GHABHM COc1ccc(CC[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1OC ZINC000016093375 221357104 /nfs/dbraw/zinc/35/71/04/221357104.db2.gz UAZHANUJXZEKQU-UHFFFAOYSA-N -1 3 390.288 3.532 40 0 GHABHM COc1ccc(C)cc1CN1CCC[C@H]1c1nc(-c2ccccn2)cc(=O)[n-]1 ZINC000019133491 221398870 /nfs/dbraw/zinc/39/88/70/221398870.db2.gz QXNFWICIWBSPDX-IBGZPJMESA-N -1 3 376.460 3.898 40 0 GHABHM Cc1cc(CN2CCc3nc(-c4cccnc4)[n-]c(=O)c3C2)c(C)n1C1CC1 ZINC000072339860 222230171 /nfs/dbraw/zinc/23/01/71/222230171.db2.gz FRGIBFINAFRSMC-UHFFFAOYSA-N -1 3 375.476 3.556 40 0 GHABHM O=C(c1ccc(Cl)cc1)N1CCC[C@@H]1c1ccnc([N-]c2cnccn2)n1 ZINC000072377546 222245375 /nfs/dbraw/zinc/24/53/75/222245375.db2.gz XITXDTALGAPOKQ-MRXNPFEDSA-N -1 3 380.839 3.641 40 0 GHABHM CCOC(=O)COc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C(C)C)cc1 ZINC000408585520 528847100 /nfs/dbraw/zinc/84/71/00/528847100.db2.gz ZBIIEJFKMAABST-UHFFFAOYSA-N -1 3 391.489 3.861 40 0 GHABHM CCOc1ccccc1C[N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000022529964 570320764 /nfs/dbraw/zinc/32/07/64/570320764.db2.gz SORPVTYWCTYHJN-UHFFFAOYSA-N -1 3 390.288 3.879 40 0 GHABHM CC1=C[C@]([O-])(C(F)(F)F)N(C(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)N1 ZINC000032099988 570508422 /nfs/dbraw/zinc/50/84/22/570508422.db2.gz ASCFZBHWZLEXAH-OQPBUACISA-N -1 3 385.169 3.620 40 0 GHABHM CC1=C[C@]([O-])(C(F)(F)F)N(C(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)N1 ZINC000032099990 570508470 /nfs/dbraw/zinc/50/84/70/570508470.db2.gz ASCFZBHWZLEXAH-SDBXPKJASA-N -1 3 385.169 3.620 40 0 GHABHM COc1ccc(Cl)cc1NC(=O)c1ccc([N-]S(C)(=O)=O)c(Cl)c1 ZINC000038756477 570582697 /nfs/dbraw/zinc/58/26/97/570582697.db2.gz HYASWUDSRKXLTG-UHFFFAOYSA-N -1 3 389.260 3.626 40 0 GHABHM Cc1cc(C(=O)N2CCCC[C@H]2c2ncc(Cc3cccc(F)c3)o2)[n-]c(=O)n1 ZINC000257245735 570769392 /nfs/dbraw/zinc/76/93/92/570769392.db2.gz IQWRWELAIMOGMP-SFHVURJKSA-N -1 3 396.422 3.576 40 0 GHABHM O=C(Cc1cccs1)N1CCC(c2nc(-c3ccsc3)cc(=O)[n-]2)CC1 ZINC000019343172 570977119 /nfs/dbraw/zinc/97/71/19/570977119.db2.gz SKARTUUYBQJSST-UHFFFAOYSA-N -1 3 385.514 3.509 40 0 GHABHM O=C(N[C@@H](Cc1cc(=O)[n-]c(C2CC2)n1)c1ccccc1)c1cccc(F)c1 ZINC000019369282 570980553 /nfs/dbraw/zinc/98/05/53/570980553.db2.gz VRJXNRLVLOGZCR-IBGZPJMESA-N -1 3 377.419 3.500 40 0 GHABHM CC(C)Oc1ccc(CN2CC[C@@H](c3nc(-c4cccnc4)cc(=O)[n-]3)C2)cc1 ZINC000019450578 570984812 /nfs/dbraw/zinc/98/48/12/570984812.db2.gz AITRSFFJMMJJPY-LJQANCHMSA-N -1 3 390.487 3.609 40 0 GHABHM Cc1ccc(OCC(=O)N2NC3=C(CCC[C@H]3C)[C@@]2([O-])C(F)(F)F)cc1C ZINC000409179475 231175278 /nfs/dbraw/zinc/17/52/78/231175278.db2.gz OVDFLCGWCNAISM-HNJNHCNJSA-N -1 3 384.398 3.568 40 0 GHABHM Cc1ccc(OCC(=O)N2NC(C3CCCCC3)=C[C@]2([O-])C(F)(F)F)cc1 ZINC000409362356 231195349 /nfs/dbraw/zinc/19/53/49/231195349.db2.gz UZJQOQVEGFAPFR-SFHVURJKSA-N -1 3 384.398 3.793 40 0 GHABHM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(OC)c(C)c2C)ccc1Cl ZINC000223824333 222643147 /nfs/dbraw/zinc/64/31/47/222643147.db2.gz ISMRNLIREQHCLR-UHFFFAOYSA-N -1 3 383.853 3.553 40 0 GHABHM CCCn1c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3F)cc2sc1=O ZINC000225724940 222693291 /nfs/dbraw/zinc/69/32/91/222693291.db2.gz OSRNDRYAYTUJHX-UHFFFAOYSA-N -1 3 384.429 3.552 40 0 GHABHM Cc1cccc(-n2nc3[n-]cc4c(c-3c2=O)C[C@H](c2cccs2)CC4=O)c1 ZINC000013611293 221276753 /nfs/dbraw/zinc/27/67/53/221276753.db2.gz NRFNKVHPWJNNSE-ZDUSSCGKSA-N -1 3 375.453 3.996 40 0 GHABHM O=c1c2c3c(c[n-]c-2nn1-c1ccccc1)C(=O)C[C@H](c1cc(F)cc(F)c1)C3 ZINC000013611281 221277045 /nfs/dbraw/zinc/27/70/45/221277045.db2.gz ZEXISUMBIXWEDO-CYBMUJFWSA-N -1 3 391.377 3.905 40 0 GHABHM CC(C)C1=C[C@@]([O-])(C(F)(F)F)N(C(=O)c2cccc(Br)c2)N1 ZINC000409066184 527626199 /nfs/dbraw/zinc/62/61/99/527626199.db2.gz HKYDAICOAGLYNF-CYBMUJFWSA-N -1 3 379.176 3.558 40 0 GHABHM CCOc1cc(/C=C2\SC(=O)N(C(C)C)C2=O)cc(Br)c1[O-] ZINC000409054455 528197091 /nfs/dbraw/zinc/19/70/91/528197091.db2.gz AENJDQKIAUHTNY-GHXNOFRVSA-N -1 3 386.267 3.998 40 0 GHABHM CCC(C)(C)[C@@H]1CCC2=C(C1)[C@@]([O-])(C(F)(F)F)N(C(=O)c1ccncc1)N2 ZINC000409352397 528595674 /nfs/dbraw/zinc/59/56/74/528595674.db2.gz YSDQEZCFTNNIMK-HBUWYVDXSA-N -1 3 383.414 3.997 40 0 GHABHM O=C([O-])C[C@@H]1CCN(Cc2cccc(F)c2)C[C@@H]1Cc1nc2cc(F)ccc2[nH]1 ZINC000514288633 560034288 /nfs/dbraw/zinc/03/42/88/560034288.db2.gz JKRGCMVFVLYIMA-HOTGVXAUSA-N -1 3 399.441 3.997 40 0 biogenic,in-vitro GHABHM O=C(Cc1cnc(-c2ccc(Cl)cc2)[n-]c1=O)Nc1c(F)cccc1F ZINC000019937629 570232167 /nfs/dbraw/zinc/23/21/67/570232167.db2.gz BVYOLNFSRIGQGF-UHFFFAOYSA-N -1 3 375.762 3.550 40 0 GHABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)COc1ccc(C)c(C)c1 ZINC000223251322 570453198 /nfs/dbraw/zinc/45/31/98/570453198.db2.gz YXKGFWHXIQEMHA-CQSZACIVSA-N -1 3 383.897 3.711 40 0 GHABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1 ZINC000006553247 570747339 /nfs/dbraw/zinc/74/73/39/570747339.db2.gz KQIXBAWOIAACAH-UHFFFAOYSA-N -1 3 382.441 3.748 40 0 GHABHM COc1ccc(S(=O)(=O)[N-]CCOc2ccc(C)cc2)c(Cl)c1Cl ZINC000010544246 570792497 /nfs/dbraw/zinc/79/24/97/570792497.db2.gz KTFUNUVGTIKCFO-UHFFFAOYSA-N -1 3 390.288 3.668 40 0 GHABHM COc1cccc(C(=O)N2CCCC[C@H]2c2nc(-c3ccsc3)cc(=O)[n-]2)c1 ZINC000019564512 571006956 /nfs/dbraw/zinc/00/69/56/571006956.db2.gz LFSQJEUIIANPCA-SFHVURJKSA-N -1 3 395.484 3.874 40 0 GHABHM N[C@H](c1nc(-c2cc(Br)ccc2[O-])n[nH]1)c1ccc(Cl)cc1 ZINC000095533992 860614102 /nfs/dbraw/zinc/61/41/02/860614102.db2.gz SZGPTYOCIUKHFI-ZDUSSCGKSA-N -1 3 379.645 3.641 40 0 GHABHM COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccc(C(C)C)cc2)c1 ZINC000223901454 222646201 /nfs/dbraw/zinc/64/62/01/222646201.db2.gz SDHCKTMMKGURDU-UHFFFAOYSA-N -1 3 381.881 3.729 40 0 GHABHM CCOc1c(Br)cc(CNCc2ccc(C(=O)[O-])cc2)cc1OC ZINC000008253355 221033494 /nfs/dbraw/zinc/03/34/94/221033494.db2.gz DGQTUZAZSKKLMI-UHFFFAOYSA-N -1 3 394.265 3.844 40 0 GHABHM CCOC(=O)[C@H](C)Sc1nnc(-c2ccccc2[O-])n1Cc1ccccc1 ZINC000013123833 221261750 /nfs/dbraw/zinc/26/17/50/221261750.db2.gz ADMQIRCNQFXFEE-AWEZNQCLSA-N -1 3 383.473 3.743 40 0 GHABHM CC(C)(C)[C@@H]1CCC2=C(C1)[C@@]([O-])(C(F)(F)F)N(C(=O)COc1ccccc1)N2 ZINC000409085624 526647565 /nfs/dbraw/zinc/64/75/65/526647565.db2.gz DZOWTCIRSRTAIJ-FRIZHTMISA-N -1 3 398.425 3.977 40 0 GHABHM COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C)c2ccc3c(c2)CCC3)c1 ZINC000223248142 570452769 /nfs/dbraw/zinc/45/27/69/570452769.db2.gz DYWAKTAHIUHGCJ-LBPRGKRZSA-N -1 3 393.892 3.655 40 0 GHABHM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)c1C ZINC000223663116 570477551 /nfs/dbraw/zinc/47/75/51/570477551.db2.gz WQTSEWRAULZMJY-UHFFFAOYSA-N -1 3 389.473 3.686 40 0 GHABHM COc1cccc(OCC[N-]S(=O)(=O)Cc2c(Cl)cccc2Cl)c1 ZINC000224214291 570503712 /nfs/dbraw/zinc/50/37/12/570503712.db2.gz IGWKCEZMKVOMNT-UHFFFAOYSA-N -1 3 390.288 3.500 40 0 GHABHM Cn1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1cc(Cl)ccc1[O-] ZINC000224875665 570535977 /nfs/dbraw/zinc/53/59/77/570535977.db2.gz RHNFQHPGQVDJOP-MSOLQXFVSA-N -1 3 384.892 3.956 40 0 GHABHM CCOC(=O)c1cc([N-]S(=O)(=O)c2ccc(OC)c(C)c2C)ccc1Cl ZINC000225237101 570558624 /nfs/dbraw/zinc/55/86/24/570558624.db2.gz XZPYIGAWRWUGGP-UHFFFAOYSA-N -1 3 397.880 3.943 40 0 GHABHM O=S(=O)([N-]CCCN1CCc2ccccc21)c1cc(Cl)ccc1Cl ZINC000013670962 570770541 /nfs/dbraw/zinc/77/05/41/570770541.db2.gz RAHAWXSWBJFUCD-UHFFFAOYSA-N -1 3 385.316 3.725 40 0 GHABHM Cc1cccc(C(=O)NC(=S)Nc2cc(C)c([O-])c(Br)c2)c1 ZINC000226243573 570935499 /nfs/dbraw/zinc/93/54/99/570935499.db2.gz PBKLDFKHJTXYAP-UHFFFAOYSA-N -1 3 379.279 3.898 40 0 GHABHM CC(C)Oc1ccc(CN2CC[C@H](c3cc(=O)[n-]c(-c4ccccn4)n3)C2)cc1 ZINC000019450572 570985083 /nfs/dbraw/zinc/98/50/83/570985083.db2.gz MICKLBNNBLSUCG-SFHVURJKSA-N -1 3 390.487 3.609 40 0 GHABHM COc1ccc(C(=O)N2CCC(c3nc(-c4ccsc4)cc(=O)[n-]3)CC2)cc1 ZINC000019553072 571001982 /nfs/dbraw/zinc/00/19/82/571001982.db2.gz LYBVYPSRVBTIHD-UHFFFAOYSA-N -1 3 395.484 3.527 40 0 GHABHM Cc1nc([C@H]2CCCN2C(=O)C[C@@H]2C=CCC2)[n-]c(=O)c1Cc1ccccc1 ZINC000019579204 571012801 /nfs/dbraw/zinc/01/28/01/571012801.db2.gz BWJXRTSGRFDDKW-UYAOXDASSA-N -1 3 377.488 3.689 40 0 GHABHM COc1ccc(-c2nc3ccc(Cl)cn3c2CN2CCC(C(=O)[O-])CC2)cc1 ZINC000002528850 861266797 /nfs/dbraw/zinc/26/67/97/861266797.db2.gz MYIRIRBBZBNKOT-UHFFFAOYSA-N -1 3 399.878 3.960 40 0 GHABHM Cc1cc(Cl)cc(OCC(=O)N2NC3=C(CCCC3)[C@@]2([O-])C(F)(F)F)c1 ZINC000409188779 231176404 /nfs/dbraw/zinc/17/64/04/231176404.db2.gz GFZLWYJUSOPABB-XJKSGUPXSA-N -1 3 390.789 3.667 40 0 GHABHM Cc1cc(Cl)cc(OCC(=O)N2NC3=C(CCCC3)[C@@]2([O-])C(F)(F)F)c1 ZINC000409188777 231176482 /nfs/dbraw/zinc/17/64/82/231176482.db2.gz GFZLWYJUSOPABB-CZUORRHYSA-N -1 3 390.789 3.667 40 0 GHABHM Cc1cc2c(cc1S(=O)(=O)[N-]c1cc(Cl)ccc1Cl)oc(=O)n2C ZINC000223335413 222629914 /nfs/dbraw/zinc/62/99/14/222629914.db2.gz DRIYQANWEYWVMV-UHFFFAOYSA-N -1 3 387.244 3.548 40 0 GHABHM Cn1ncc2c1CCc1sc([N-]C(=O)c3nsc(Cl)c3Cl)nc1-2 ZINC000012291885 221174073 /nfs/dbraw/zinc/17/40/73/221174073.db2.gz IKCZPCCUKSBYEB-UHFFFAOYSA-N -1 3 386.289 3.658 40 0 GHABHM CCNC(=O)c1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)ccc1C ZINC000408610789 528226448 /nfs/dbraw/zinc/22/64/48/528226448.db2.gz VXDIUXMPBNTXPO-UHFFFAOYSA-N -1 3 387.288 3.852 40 0 GHABHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1NC(=O)CC ZINC000408697139 528587475 /nfs/dbraw/zinc/58/74/75/528587475.db2.gz HWNUECIZOPQALO-UHFFFAOYSA-N -1 3 376.478 3.851 40 0 GHABHM CCOC(=O)Nc1cc(S(=O)(=O)[N-]c2ccccc2C)ccc1OCC ZINC000408586631 529107054 /nfs/dbraw/zinc/10/70/54/529107054.db2.gz PJJRWUVJCQTURO-UHFFFAOYSA-N -1 3 378.450 3.763 40 0 GHABHM CCn1c2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3Cl)cc2oc1=O ZINC000019936774 570231813 /nfs/dbraw/zinc/23/18/13/570231813.db2.gz KXTHLOPTBCCJLQ-UHFFFAOYSA-N -1 3 387.244 3.722 40 0 GHABHM CS(=O)(=O)[N-]c1ccc(C(=O)N[C@H]2CCCc3ccccc32)cc1Cl ZINC000020495109 570264309 /nfs/dbraw/zinc/26/43/09/570264309.db2.gz XYMFLJPYUXEBAQ-INIZCTEOSA-N -1 3 378.881 3.519 40 0 GHABHM CCc1ccc(-n2c(O)c3n(-c4ccccc4)[n-]c(-c4ccco4)c-3c2=O)cc1 ZINC000101460714 570283523 /nfs/dbraw/zinc/28/35/23/570283523.db2.gz JEXBYCCOIRVSBY-CTNGQTDRSA-N -1 3 385.423 3.625 40 0 GHABHM Cc1ccc(NC(=O)CSc2nnc([N-]C(=O)c3ccco3)s2)cc1C ZINC000035312390 570467406 /nfs/dbraw/zinc/46/74/06/570467406.db2.gz RLXWRGITSZBAIG-UHFFFAOYSA-N -1 3 388.474 3.731 40 0 GHABHM CCc1ccc([C@@H](C)NC(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)cc1 ZINC000224745425 570528698 /nfs/dbraw/zinc/52/86/98/570528698.db2.gz LTZVHLUTDMBFQZ-GFCCVEGCSA-N -1 3 380.897 3.765 40 0 GHABHM C[C@H]1CCC[C@H](C)N1C(=O)CSc1nnc([N-]C(=O)c2cccs2)s1 ZINC000004410390 570629247 /nfs/dbraw/zinc/62/92/47/570629247.db2.gz FTZCRFSVPYTWDD-QWRGUYRKSA-N -1 3 396.563 3.734 40 0 GHABHM O=C([O-])c1ccccc1-c1ccc(CN2CC(c3[nH]nc4ncccc43)C2)cc1 ZINC000257222883 570763142 /nfs/dbraw/zinc/76/31/42/570763142.db2.gz DUZFISXAOAHTTL-UHFFFAOYSA-N -1 3 384.439 3.923 40 0 GHABHM O=c1[n-]c(-c2cccnc2)nc2c1CCN(Cc1ccc(Cl)cc1Cl)C2 ZINC000019340092 570976993 /nfs/dbraw/zinc/97/69/93/570976993.db2.gz YBURYNQRQGECKN-UHFFFAOYSA-N -1 3 387.270 3.697 40 0 GHABHM O=c1cc(C[C@H](NCc2ccccc2)c2ccccc2)nc(-c2ccccn2)[n-]1 ZINC000019372690 570981071 /nfs/dbraw/zinc/98/10/71/570981071.db2.gz MFVKFGCGCATWQV-QFIPXVFZSA-N -1 3 382.467 3.906 40 0 GHABHM Cc1ncsc1C(=O)N1CCCC[C@@H]1c1nc(-c2ccsc2)cc(=O)[n-]1 ZINC000019562169 571005811 /nfs/dbraw/zinc/00/58/11/571005811.db2.gz GDMKQCQYIXSWQD-CQSZACIVSA-N -1 3 386.502 3.631 40 0 GHABHM Cc1nc([C@@H]2CCCN2C(=O)C[C@@H]2C=CCC2)[n-]c(=O)c1Cc1ccccc1 ZINC000019579201 571012767 /nfs/dbraw/zinc/01/27/67/571012767.db2.gz BWJXRTSGRFDDKW-QUCCMNQESA-N -1 3 377.488 3.689 40 0 GHABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2F)cc1)N1CCCCC1 ZINC000408592843 231070785 /nfs/dbraw/zinc/07/07/85/231070785.db2.gz OWKMHXIJAOVMQR-UHFFFAOYSA-N -1 3 395.431 3.783 40 0 GHABHM COc1ccc(NCc2cc(I)c([O-])c(OC)c2)cc1 ZINC000409111528 534186399 /nfs/dbraw/zinc/18/63/99/534186399.db2.gz JFIXUPLGWBNFAE-UHFFFAOYSA-N -1 3 385.201 3.626 40 0 GHABHM O=C(CSCc1ccccc1)N1NC2=C(CCCCC2)[C@]1([O-])C(F)(F)F ZINC000409356013 534668389 /nfs/dbraw/zinc/66/83/89/534668389.db2.gz DPNOENHIWAFDMS-PBHICJAKSA-N -1 3 386.439 3.949 40 0 GHABHM O=C1[C@@H]2C(=C([O-])N1c1ccccc1F)ON(c1ccccc1)[C@H]2c1ccccc1 ZINC000005092588 570222990 /nfs/dbraw/zinc/22/29/90/570222990.db2.gz IMEVDSRFMICGCF-ACRUOGEOSA-N -1 3 388.398 3.877 40 0 GHABHM COc1ccc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C)cc1N1CCCC1=O ZINC000020108218 570240337 /nfs/dbraw/zinc/24/03/37/570240337.db2.gz YZTXINZWNGPKET-UHFFFAOYSA-N -1 3 388.489 3.548 40 0 GHABHM CC(C)Oc1cccc(NC(=O)c2ccc([N-]S(C)(=O)=O)c(Cl)c2)c1 ZINC000022516489 570319250 /nfs/dbraw/zinc/31/92/50/570319250.db2.gz UHTCOVRLEIPMQA-UHFFFAOYSA-N -1 3 382.869 3.751 40 0 GHABHM CCOC(=O)c1ccc2[nH]c(-c3cc(Br)c([O-])c(OC)c3)nc2c1 ZINC000085398426 570320672 /nfs/dbraw/zinc/32/06/72/570320672.db2.gz KNFIUFFBQWRRJT-UHFFFAOYSA-N -1 3 391.221 3.883 40 0 GHABHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)cc1OC ZINC000223659516 570477484 /nfs/dbraw/zinc/47/74/84/570477484.db2.gz IGFRSCNUAZQAHH-UHFFFAOYSA-N -1 3 377.462 3.608 40 0 GHABHM CCOC(=O)c1cccc([N-]S(=O)(=O)c2cc(C)c(OC)cc2C)c1C ZINC000225031645 570544610 /nfs/dbraw/zinc/54/46/10/570544610.db2.gz LPEURQUPJLUXQE-UHFFFAOYSA-N -1 3 377.462 3.598 40 0 GHABHM C[C@@H]1CC[C@@H]2[C@@H](C1)c1c([O-])c(C(=O)NCc3cn(C)cn3)ccc1OC2(C)C ZINC000257227878 570764761 /nfs/dbraw/zinc/76/47/61/570764761.db2.gz FRIUWFYVJLNZQY-KBRIMQKVSA-N -1 3 383.492 3.747 40 0 GHABHM COc1cccc(C(=O)NC(=S)Nc2cc(C)c([O-])c(Br)c2)c1 ZINC000226243863 570935647 /nfs/dbraw/zinc/93/56/47/570935647.db2.gz KCGPFKQLCRJDTR-UHFFFAOYSA-N -1 3 395.278 3.599 40 0 GHABHM COc1cccc(CN[C@@H](Cc2c[nH]c3ccccc23)c2cc(=O)[n-]c(C)n2)c1 ZINC000019285172 570969225 /nfs/dbraw/zinc/96/92/25/570969225.db2.gz WQUFVJLSOHQKCE-NRFANRHFSA-N -1 3 388.471 3.642 40 0 GHABHM O=Cc1cc(Br)c(Sc2nnc(COc3ccccc3F)[n-]2)o1 ZINC000408550225 231057226 /nfs/dbraw/zinc/05/72/26/231057226.db2.gz BRTSADSHDJGNLJ-UHFFFAOYSA-N -1 3 398.213 3.842 40 0 GHABHM O=Cc1cc(Br)c(Sc2nc(COc3ccccc3F)n[n-]2)o1 ZINC000408550225 231057229 /nfs/dbraw/zinc/05/72/29/231057229.db2.gz BRTSADSHDJGNLJ-UHFFFAOYSA-N -1 3 398.213 3.842 40 0 GHABHM O=Cc1cc(Br)c(Sc2n[n-]c(COc3ccccc3F)n2)o1 ZINC000408550225 231057233 /nfs/dbraw/zinc/05/72/33/231057233.db2.gz BRTSADSHDJGNLJ-UHFFFAOYSA-N -1 3 398.213 3.842 40 0 GHABHM CCOC(=O)c1cccc([N-]S(=O)(=O)Cc2ccc(Br)cc2)c1 ZINC000010112278 221097647 /nfs/dbraw/zinc/09/76/47/221097647.db2.gz IRUMEYYDALFIJH-UHFFFAOYSA-N -1 3 398.278 3.568 40 0 GHABHM O=C(CCc1ccccc1)N1CCC[C@H](c2nc(-c3ccncc3)cc(=O)[n-]2)C1 ZINC000012256838 221172863 /nfs/dbraw/zinc/17/28/63/221172863.db2.gz KNJRLJROCRZKQT-IBGZPJMESA-N -1 3 388.471 3.583 40 0 GHABHM CC(C)(C)[C@@H]1CCC2=C(C1)[C@](O)(C(F)(F)F)N(C(=O)c1cccc([O-])c1)N2 ZINC000409098684 526647997 /nfs/dbraw/zinc/64/79/97/526647997.db2.gz JHYCOBQUJZSHJX-IAISJRAMSA-N -1 3 384.398 3.917 40 0 GHABHM CCN(CC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000408562712 528046916 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GHABHM Cc1nc([C@]2(C)CCCN(Cc3ccccc3OCC(=O)[O-])C2)c2sccn12 ZINC000257221960 570763079 /nfs/dbraw/zinc/76/30/79/570763079.db2.gz DRHIZHMUOZKDDD-OAQYLSRUSA-N -1 3 399.516 3.721 40 0 GHABHM Cc1cc(C(=O)N2CCC[C@H]2c2ncc(Cc3ccccc3Cl)o2)[n-]c(=O)n1 ZINC000257266343 570772508 /nfs/dbraw/zinc/77/25/08/570772508.db2.gz MCPAYARDBGFEFB-KRWDZBQOSA-N -1 3 398.850 3.700 40 0 GHABHM CCOc1ccc(CN2CCCC[C@@H]2c2cc(=O)[n-]c(-c3cccnc3)n2)cc1 ZINC000019533266 570999829 /nfs/dbraw/zinc/99/98/29/570999829.db2.gz BCTVJMDFHXEUTE-OAQYLSRUSA-N -1 3 390.487 3.958 40 0 GHABHM COc1ccc(C(=O)N2CCCC[C@H]2c2nc(-c3ccsc3)cc(=O)[n-]2)cc1 ZINC000019553102 571001940 /nfs/dbraw/zinc/00/19/40/571001940.db2.gz ILHIZTOGUBOPLC-SFHVURJKSA-N -1 3 395.484 3.874 40 0 GHABHM CCc1ccc(C2=NN(C(=O)c3cccc(C)c3[O-])[C@](O)(C(F)(F)F)C2)cc1 ZINC000409100977 529618851 /nfs/dbraw/zinc/61/88/51/529618851.db2.gz WGEIJSFJMPGWPX-LJQANCHMSA-N -1 3 392.377 3.764 40 0 GHABHM CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2)ccc1C ZINC000408600390 529932565 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3.999 40 0 GHABHM Cc1cccc(N(C)S(=O)(=O)c2csc(C(=O)[N-]c3nccs3)c2)c1 ZINC000006681187 570675304 /nfs/dbraw/zinc/67/53/04/570675304.db2.gz AJWXBKVTBKKCLI-UHFFFAOYSA-N -1 3 393.515 3.590 40 0 GHABHM COC(=O)c1[nH]c2ccccc2c1/C=C1\SC(=O)N(c2ccc([O-])cc2)C1=O ZINC000256055359 570758185 /nfs/dbraw/zinc/75/81/85/570758185.db2.gz CZGNQBOCHWWZDE-YBEGLDIGSA-N -1 3 394.408 3.901 40 0 GHABHM COc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1NC(C)=O ZINC000007405335 570758764 /nfs/dbraw/zinc/75/87/64/570758764.db2.gz KBTHPYJXLCYTOE-UHFFFAOYSA-N -1 3 389.260 3.761 40 0 GHABHM O=C([O-])c1cccc(CN2C[C@@H](c3ccc(F)cc3)[C@]3(C2)CCCCC(=O)N3)c1 ZINC000257266890 570772604 /nfs/dbraw/zinc/77/26/04/570772604.db2.gz MEZZPCFHXKBQTD-NZQKXSOJSA-N -1 3 396.462 3.552 40 0 GHABHM O=C(NC(=S)N=c1[nH]c2ccc([O-])cc2s1)c1ccc2ccccc2c1 ZINC000017077588 570916784 /nfs/dbraw/zinc/91/67/84/570916784.db2.gz BKIKLYFAFIMRKX-UHFFFAOYSA-N -1 3 379.466 3.704 40 0 GHABHM O=C(NC(=S)N=c1[nH]c2ccc([O-])cc2s1)c1cccc2ccccc21 ZINC000017077589 570916911 /nfs/dbraw/zinc/91/69/11/570916911.db2.gz FMKGGIKRBFIYRQ-UHFFFAOYSA-N -1 3 379.466 3.704 40 0 GHABHM O=c1cc(C[C@H](NCc2cccnc2)c2ccc(F)cc2)nc(C2CCC2)[n-]1 ZINC000019339690 570977207 /nfs/dbraw/zinc/97/72/07/570977207.db2.gz IDJAGNMYSXUWBK-FQEVSTJZSA-N -1 3 378.451 3.645 40 0 GHABHM CC(C)Oc1cccc(CN2CC[C@H](c3cc(=O)[n-]c(-c4ccccn4)n3)C2)c1 ZINC000019450822 570985485 /nfs/dbraw/zinc/98/54/85/570985485.db2.gz AGYZUKXYROATOO-SFHVURJKSA-N -1 3 390.487 3.609 40 0 GHABHM COc1ccc(CN2CCC[C@H]2c2nc(-c3ccccn3)cc(=O)[n-]2)c(OC)c1 ZINC000019552316 571001481 /nfs/dbraw/zinc/00/14/81/571001481.db2.gz FUBBGAJLYWYARD-IBGZPJMESA-N -1 3 392.459 3.599 40 0 GHABHM C/C(C=N[N-]C(=O)c1nc2nc(C)cc(C)n2n1)=C/c1ccc(C(C)C)cc1 ZINC000006189313 571073640 /nfs/dbraw/zinc/07/36/40/571073640.db2.gz KTVXUBOEJXGOAZ-UHXXLRDVSA-N -1 3 376.464 3.684 40 0 GHABHM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1C ZINC000224599356 222658436 /nfs/dbraw/zinc/65/84/36/222658436.db2.gz ICWVCKPPZGOCNL-VQTJNVASSA-N -1 3 378.501 3.920 40 0 GHABHM COc1ccc(Cl)cc1NC(=N)Nc1nc(C)c(Cc2ccccc2)c(=O)[n-]1 ZINC000010156490 221098893 /nfs/dbraw/zinc/09/88/93/221098893.db2.gz SAXYUIKZDCZESY-UHFFFAOYSA-N -1 3 397.866 3.790 40 0 GHABHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(CC(=O)N3CCCC3)cc2)c(C)c1 ZINC000013848706 221291668 /nfs/dbraw/zinc/29/16/68/221291668.db2.gz XRFYDQOHBKWYDP-UHFFFAOYSA-N -1 3 386.517 3.578 40 0 GHABHM Cc1ccccc1CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000018833915 221393094 /nfs/dbraw/zinc/39/30/94/221393094.db2.gz ZQAZIWGLJGXUAK-UHFFFAOYSA-N -1 3 398.459 3.865 40 0 GHABHM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)cc1N1CCCC1=O ZINC000044849871 221955177 /nfs/dbraw/zinc/95/51/77/221955177.db2.gz WDRCKDKALXBJCN-UHFFFAOYSA-N -1 3 394.880 3.585 40 0 GHABHM CCOc1ccc(CN2CCC[C@H](c3cc(=O)[n-]c(-c4ccccn4)n3)C2)cc1 ZINC000072393204 222251037 /nfs/dbraw/zinc/25/10/37/222251037.db2.gz LOUJEJPEDPEJNE-SFHVURJKSA-N -1 3 390.487 3.610 40 0 GHABHM Cc1ccc(-n2c(O)c3n(-c4ccccc4)[n-]c(-c4ccco4)c-3c2=O)cc1C ZINC000101460691 570283537 /nfs/dbraw/zinc/28/35/37/570283537.db2.gz DUAZFZNBTWKWRO-FPOVZHCZSA-N -1 3 385.423 3.679 40 0 GHABHM CC(C)(C)OC(=O)N[C@@H]1CCCN([C@@H](C(=O)[O-])c2ccc3ccccc3c2)C1 ZINC000215747702 570291354 /nfs/dbraw/zinc/29/13/54/570291354.db2.gz NYKMXWYQTZZMKF-RTBURBONSA-N -1 3 384.476 3.955 40 0 GHABHM COC(=O)c1ccc(CSc2n[n-]c(COc3ccc(Cl)cc3)n2)o1 ZINC000021261948 570296362 /nfs/dbraw/zinc/29/63/62/570296362.db2.gz ZYWMCRYJWDGKFB-UHFFFAOYSA-N -1 3 379.825 3.709 40 0 GHABHM CCOc1ccc([C@H]2N[C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1OCC ZINC000005466657 570440846 /nfs/dbraw/zinc/44/08/46/570440846.db2.gz OYELXQOPWRAXOG-FXAWDEMLSA-N -1 3 380.444 3.654 40 0 GHABHM Cc1ccc(CS(=O)(=O)[N-]Cc2nc(-c3ccc(C(C)C)cc3)no2)cc1 ZINC000223626400 570475494 /nfs/dbraw/zinc/47/54/94/570475494.db2.gz BTHCAWWOZFVSDA-UHFFFAOYSA-N -1 3 385.489 3.788 40 0 GHABHM COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3=O)c(C)c2)c(C)c1C ZINC000223949368 570491312 /nfs/dbraw/zinc/49/13/12/570491312.db2.gz KZQWZBGFDVWRFY-UHFFFAOYSA-N -1 3 388.489 3.548 40 0 GHABHM COc1ccc([N-]S(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)cc1Cl ZINC000030754004 570494740 /nfs/dbraw/zinc/49/47/40/570494740.db2.gz AYYGXADYMSFCNP-UHFFFAOYSA-N -1 3 394.880 3.585 40 0 GHABHM CCC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc(OC(C)C)cc3)ccc21 ZINC000225050217 570545227 /nfs/dbraw/zinc/54/52/27/570545227.db2.gz WWUNRXPDXRUDHP-UHFFFAOYSA-N -1 3 388.489 3.574 40 0 GHABHM Cc1ccc(SCCNC(=O)c2ccc([N-]S(C)(=O)=O)c(Cl)c2)cc1 ZINC000044883464 570638623 /nfs/dbraw/zinc/63/86/23/570638623.db2.gz LAUDEMBTSLBDND-UHFFFAOYSA-N -1 3 398.937 3.542 40 0 GHABHM CNC(=O)c1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)c(C)s1 ZINC000006679992 570674528 /nfs/dbraw/zinc/67/45/28/570674528.db2.gz TYERTJSNMQJXIJ-UHFFFAOYSA-N -1 3 379.290 3.524 40 0 GHABHM CCc1nnc([N-]c2cccc([C@@H]3CN(CCc4ccccc4)CCO3)n2)s1 ZINC000257219528 570762790 /nfs/dbraw/zinc/76/27/90/570762790.db2.gz DHCINUBVPUIVAR-SFHVURJKSA-N -1 3 395.532 3.855 40 0 GHABHM O=C([O-])COc1ccc(CN2C[C@@H]3CC[C@H](Oc4cccc(F)c4)[C@@H]3C2)cc1 ZINC000257301614 570778556 /nfs/dbraw/zinc/77/85/56/570778556.db2.gz RZDHXFCWVXDYFU-DQLDELGASA-N -1 3 385.435 3.579 40 0 GHABHM COc1cc(C(=O)Nc2cc(C)c([O-])c(Br)c2)cc(OC)c1OC ZINC000226242765 570935221 /nfs/dbraw/zinc/93/52/21/570935221.db2.gz LGQOPZFMJMKIRG-UHFFFAOYSA-N -1 3 396.237 3.741 40 0 GHABHM CCn1cc(-c2cc(C(=O)[N-]c3nc4cc(OC)ccc4s3)on2)c(C)n1 ZINC000019524731 570996959 /nfs/dbraw/zinc/99/69/59/570996959.db2.gz PEBXFRVUPHJXPA-UHFFFAOYSA-N -1 3 383.433 3.737 40 0 GHABHM Cc1nc([C@H]2CCCN2C(=O)C[C@H]2C=CCC2)[n-]c(=O)c1Cc1ccccc1 ZINC000019579197 571012499 /nfs/dbraw/zinc/01/24/99/571012499.db2.gz BWJXRTSGRFDDKW-AZUAARDMSA-N -1 3 377.488 3.689 40 0 GHABHM Cc1ccc(OCC(=O)N2NC(C3CCCCC3)=C[C@@]2([O-])C(F)(F)F)cc1 ZINC000409362351 231195372 /nfs/dbraw/zinc/19/53/72/231195372.db2.gz UZJQOQVEGFAPFR-GOSISDBHSA-N -1 3 384.398 3.793 40 0 GHABHM O=C(N[C@H]1C[C@H]2CC[C@@H]1C2)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000223960566 222647434 /nfs/dbraw/zinc/64/74/34/222647434.db2.gz HFJFZYPHBZMHSQ-KSMMKXTCSA-N -1 3 388.464 3.545 40 0 GHABHM O=S(=O)([N-]c1cc2nn(-c3ccccc3)nc2cc1Cl)c1ccccc1 ZINC000020610907 221505535 /nfs/dbraw/zinc/50/55/35/221505535.db2.gz MHYVROWZSJYSDY-UHFFFAOYSA-N -1 3 384.848 3.875 40 0 GHABHM O=c1cc(C2CCN(Cc3ccc(F)c(F)c3)CC2)nc(-c2ccncc2)[n-]1 ZINC000072392714 222249522 /nfs/dbraw/zinc/24/95/22/222249522.db2.gz JIUDIFHIOZZWER-UHFFFAOYSA-N -1 3 382.414 3.902 40 0 GHABHM Cc1nc2c(c(=O)[n-]1)[C@H](c1c(F)cccc1Cl)c1cc3c(cc1O2)OCO3 ZINC000072408135 222255659 /nfs/dbraw/zinc/25/56/59/222255659.db2.gz CRXVQUGMZZRQGZ-HNNXBMFYSA-N -1 3 386.766 3.885 40 0 GHABHM CCC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(C(C)C)cc2)ccc1OC ZINC000408698880 528424510 /nfs/dbraw/zinc/42/45/10/528424510.db2.gz SNWBGALDGMPUEG-UHFFFAOYSA-N -1 3 376.478 3.968 40 0 GHABHM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)sc(=O)n3C(C)C)cc1 ZINC000225144191 528589439 /nfs/dbraw/zinc/58/94/39/528589439.db2.gz YAZZILWYTKETEP-UHFFFAOYSA-N -1 3 392.502 3.843 40 0 GHABHM COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3=O)cc2)cc1C(C)C ZINC000223654004 570477021 /nfs/dbraw/zinc/47/70/21/570477021.db2.gz BQZGWTXGEYZPSA-UHFFFAOYSA-N -1 3 388.489 3.746 40 0 GHABHM CC(C)C[C@]1(O)CCN(C(=O)c2ccc([O-])cc2)C[C@@H]1Oc1cccc(F)c1 ZINC000257247631 570769363 /nfs/dbraw/zinc/76/93/63/570769363.db2.gz IZVPPHXHFSAXKS-RBBKRZOGSA-N -1 3 387.451 3.602 40 0 GHABHM Cc1nnc([C@@]2(C)CCCN(Cc3ccc(-c4ccccc4C(=O)[O-])o3)C2)o1 ZINC000257298732 570777870 /nfs/dbraw/zinc/77/78/70/570777870.db2.gz RNBQORJXQCTQMO-NRFANRHFSA-N -1 3 381.432 3.890 40 0 GHABHM Cc1cccc(CC(=O)N[C@H](Cc2cc(=O)[n-]c(C)n2)c2ccc(Cl)cc2)c1 ZINC000019234837 570965358 /nfs/dbraw/zinc/96/53/58/570965358.db2.gz DTCORNLDDNQHOM-HXUWFJFHSA-N -1 3 395.890 3.683 40 0 GHABHM Cc1nc([C@@H]2CCCN2C(=O)C[C@H]2C=CCC2)[n-]c(=O)c1Cc1ccccc1 ZINC000019579194 571012718 /nfs/dbraw/zinc/01/27/18/571012718.db2.gz BWJXRTSGRFDDKW-ICSRJNTNSA-N -1 3 377.488 3.689 40 0 GHABHM