smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1cc(=O)[n-]c(-c2ccc(CN(C)Cc3nc4ccccc4[nH]3)cc2)n1 ZINC000023214487 937155910 /nfs/dbraw/zinc/15/59/10/937155910.db2.gz QYNXQERNOWYZDS-UHFFFAOYSA-N -1 3 373.460 3.508 50 0 FHAAHM CC(C)Cc1cc(=O)[n-]c(-c2cccc(CN(C)Cc3ccoc3)c2)n1 ZINC000023581160 940744263 /nfs/dbraw/zinc/74/42/63/940744263.db2.gz DGLYOHCENXPGRR-UHFFFAOYSA-N -1 3 351.450 3.860 50 0 FHAAHM Cc1nn(-c2ccccc2)c2ncc(C(=O)Nc3cc(C)ccc3C)c([O-])c12 ZINC000010166781 204001355 /nfs/dbraw/zinc/00/13/55/204001355.db2.gz OQCMFBQQDOSNIZ-UHFFFAOYSA-N -1 3 372.428 3.891 50 0 FHAAHM CCOc1cc(/C=C2/SC(=O)N(c3ccc([O-])cc3)C2=O)ccc1O ZINC000002244901 204030638 /nfs/dbraw/zinc/03/06/38/204030638.db2.gz WMZFYAJFXCCOKB-MHWRWJLKSA-N -1 3 357.387 3.737 50 0 FHAAHM O=C1CC(N(O)c2ccccc2)=C([O-])N1c1c(Cl)cccc1Cl ZINC000002261745 204031824 /nfs/dbraw/zinc/03/18/24/204031824.db2.gz KDSQFJVFNDMYOF-CYBMUJFWSA-N -1 3 351.189 3.521 50 0 FHAAHM C[C@H](OC(=O)c1ccc([O-])cc1)C(=O)Nc1cccc(Cl)c1Cl ZINC000003284356 204086688 /nfs/dbraw/zinc/08/66/88/204086688.db2.gz YOWVOMMLIKFOON-VIFPVBQESA-N -1 3 354.189 3.883 50 0 FHAAHM O=S(=O)([N-]CCc1c[nH]c2ccccc12)c1ccccc1C(F)(F)F ZINC000002571113 204045643 /nfs/dbraw/zinc/04/56/43/204045643.db2.gz QPNXGIMADNPEJT-UHFFFAOYSA-N -1 3 368.380 3.708 50 0 FHAAHM CC(C)C(=O)Nc1ccc(Cc2ccc(NC(=O)C(C)C)c(O)c2)cc1[O-] ZINC000002849833 204062115 /nfs/dbraw/zinc/06/21/15/204062115.db2.gz ODWFOUCLSUPULM-UHFFFAOYSA-N -1 3 370.449 3.878 50 0 FHAAHM CCCCN1C(=S)S[C@H](N([O-])C(=O)NC2CCCCC2)C1(C)C ZINC000003991729 204117080 /nfs/dbraw/zinc/11/70/80/204117080.db2.gz RRMFBYUVPSIKJX-ZDUSSCGKSA-N -1 3 359.561 3.958 50 0 FHAAHM Cc1ccsc1C(=O)OCc1nc(=O)c2c3c(sc2[n-]1)C[C@@H](C)CC3 ZINC000003343335 204093685 /nfs/dbraw/zinc/09/36/85/204093685.db2.gz GVFJVDRHOFASNR-VIFPVBQESA-N -1 3 374.487 3.836 50 0 FHAAHM O=C(CSc1nnc([N-]c2ccccc2F)s1)N1CCCCCC1 ZINC000003343877 204093718 /nfs/dbraw/zinc/09/37/18/204093718.db2.gz JBIVIWUKRCEBGW-UHFFFAOYSA-N -1 3 366.487 3.916 50 0 FHAAHM Cc1ccsc1C(=O)OCc1nc(=O)c2c3c(sc2[n-]1)C[C@H](C)CC3 ZINC000003343337 204094081 /nfs/dbraw/zinc/09/40/81/204094081.db2.gz GVFJVDRHOFASNR-SECBINFHSA-N -1 3 374.487 3.836 50 0 FHAAHM C[C@H](OC(=O)c1ccc(Cl)cc1[O-])C(=O)NCCC1=CCCCC1 ZINC000003408174 204097542 /nfs/dbraw/zinc/09/75/42/204097542.db2.gz XMJXXJMKWLHVRX-LBPRGKRZSA-N -1 3 351.830 3.598 50 0 FHAAHM O=C(CSCc1ccccc1)N1NC2=C(CCCC2)[C@@]1([O-])C(F)(F)F ZINC000004742438 204159836 /nfs/dbraw/zinc/15/98/36/204159836.db2.gz QHSLZTTVFRCVMZ-CZUORRHYSA-N -1 3 372.412 3.559 50 0 FHAAHM O=c1cc(CSc2nc(-c3ccccc3)n[nH]2)c2ccc([O-])cc2o1 ZINC000004394882 204138408 /nfs/dbraw/zinc/13/84/08/204138408.db2.gz LVWUDCBUGXQVGY-UHFFFAOYSA-N -1 3 351.387 3.576 50 0 FHAAHM Cc1ccc(C(=O)NC(=Cc2ccccc2F)c2n[nH]c(=S)[n-]2)cc1 ZINC000004892041 204173767 /nfs/dbraw/zinc/17/37/67/204173767.db2.gz YACFEDPPODEEMK-GDNBJRDFSA-N -1 3 354.410 3.843 50 0 FHAAHM COc1cc(C(=O)Nc2ncccc2[O-])cc(Cl)c1OCC(C)C ZINC000005701418 204221963 /nfs/dbraw/zinc/22/19/63/204221963.db2.gz YCDDGKOTSVFDPU-UHFFFAOYSA-N -1 3 350.802 3.736 50 0 FHAAHM CCc1cc2c(CSc3nnc(SC)s3)cc(=O)oc2cc1[O-] ZINC000005872456 204227709 /nfs/dbraw/zinc/22/77/09/204227709.db2.gz IUZOJBMHNZWMKY-UHFFFAOYSA-N -1 3 366.489 3.927 50 0 FHAAHM C[C@@H](Sc1n[n-]c(-c2cccs2)n1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000006035418 204234442 /nfs/dbraw/zinc/23/44/42/204234442.db2.gz GYNVQZSFBBAOHH-NWDGAFQWSA-N -1 3 370.503 3.992 50 0 FHAAHM O=S(=O)([N-]c1cc2c(cc1Cl)OCCO2)c1ccccc1Cl ZINC000008877645 204347311 /nfs/dbraw/zinc/34/73/11/204347311.db2.gz FXTJYMWOUPGDGA-UHFFFAOYSA-N -1 3 360.218 3.565 50 0 FHAAHM O=C1C[C@@H](c2cccc(Cl)c2)c2c(=O)[n-]c(-c3ccccc3)nc2N1 ZINC000008856473 204347488 /nfs/dbraw/zinc/34/74/88/204347488.db2.gz MUNOGZUDHGAKOA-AWEZNQCLSA-N -1 3 351.793 3.564 50 0 FHAAHM Cc1cc(-c2ccc(S(=O)(=O)[N-]C[C@H](C)c3ccccc3)s2)on1 ZINC000009268951 204360117 /nfs/dbraw/zinc/36/01/17/204360117.db2.gz DPCHPEMYLZUXAK-LBPRGKRZSA-N -1 3 362.476 3.794 50 0 FHAAHM CC[C@@H](NC(=O)c1ccc2n[n-]nc2c1)c1ccc(Br)cc1 ZINC000009477013 204369208 /nfs/dbraw/zinc/36/92/08/204369208.db2.gz DAUPVQAHILKCDT-CYBMUJFWSA-N -1 3 359.227 3.602 50 0 FHAAHM CC(C)COc1ccc(C(=O)OCC(=O)[N-]c2cc(C(C)C)no2)cc1 ZINC000009535802 204372856 /nfs/dbraw/zinc/37/28/56/204372856.db2.gz WOSOJBHCALMAMD-UHFFFAOYSA-N -1 3 360.410 3.628 50 0 FHAAHM O=c1[n-]nc(SCc2nc3ccccc3s2)n1Cc1ccccc1 ZINC000009585006 204374957 /nfs/dbraw/zinc/37/49/57/204374957.db2.gz QKXOKPXWRHQKGC-UHFFFAOYSA-N -1 3 354.460 3.522 50 0 FHAAHM C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000036714269 204383561 /nfs/dbraw/zinc/38/35/61/204383561.db2.gz ZUTKHOGKBWCPMH-ZCFIWIBFSA-N -1 3 350.753 3.596 50 0 FHAAHM C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000036714269 204383565 /nfs/dbraw/zinc/38/35/65/204383565.db2.gz ZUTKHOGKBWCPMH-ZCFIWIBFSA-N -1 3 350.753 3.596 50 0 FHAAHM CCCc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C3CC3)cc2)cc1 ZINC000012583413 204477565 /nfs/dbraw/zinc/47/75/65/204477565.db2.gz VRFASNXMMNNFMH-UHFFFAOYSA-N -1 3 358.463 3.788 50 0 FHAAHM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)cc1 ZINC000015243170 204607415 /nfs/dbraw/zinc/60/74/15/204607415.db2.gz YPMJKQFGEDONPJ-UHFFFAOYSA-N -1 3 360.218 3.581 50 0 FHAAHM COc1ccc(-c2nnsc2C(=O)[N-]c2cc(F)c(F)c(F)c2)cc1 ZINC000036354662 205011668 /nfs/dbraw/zinc/01/16/68/205011668.db2.gz BKLFOCAMPDGSCF-UHFFFAOYSA-N -1 3 365.336 3.883 50 0 FHAAHM O=C1[N-]C(=O)/C(=C\c2ccc(OCc3cscn3)cc2)c2ccccc21 ZINC000040050369 205051874 /nfs/dbraw/zinc/05/18/74/205051874.db2.gz SSIWNMBXDILTLH-NVMNQCDNSA-N -1 3 362.410 3.533 50 0 FHAAHM O=S(=O)([N-]c1ccc(F)cc1Br)c1cc(F)cc(F)c1 ZINC000048655279 205165528 /nfs/dbraw/zinc/16/55/28/205165528.db2.gz ZQWPVEKNXJADLE-UHFFFAOYSA-N -1 3 366.158 3.667 50 0 FHAAHM CCCCc1ccc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)[n-]2)cc1 ZINC000057521112 205242753 /nfs/dbraw/zinc/24/27/53/205242753.db2.gz MRLVFTXGMRQHDC-UHFFFAOYSA-N -1 3 370.478 3.633 50 0 FHAAHM Cc1csc(-c2cc(S(=O)(=O)[N-]c3ccccc3F)c(C)n2C)n1 ZINC000064668217 205301573 /nfs/dbraw/zinc/30/15/73/205301573.db2.gz AUFUXRLKFHXFLD-UHFFFAOYSA-N -1 3 365.455 3.705 50 0 FHAAHM CCN(CC)[C@@H](CNc1ncnc2sc(C(=O)[O-])c(C)c21)c1ccco1 ZINC000067688453 205383848 /nfs/dbraw/zinc/38/38/48/205383848.db2.gz JQNUPYVUBAYTRR-LBPRGKRZSA-N -1 3 374.466 3.786 50 0 FHAAHM Cc1cccc(C(=O)N2CCc3[nH]nc(-c4ccc(Cl)cc4)c3C2)c1[O-] ZINC000067723281 205385403 /nfs/dbraw/zinc/38/54/03/205385403.db2.gz WABJEXLSOFHRPH-UHFFFAOYSA-N -1 3 367.836 3.943 50 0 FHAAHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccco2)cc1 ZINC000136436140 206130693 /nfs/dbraw/zinc/13/06/93/206130693.db2.gz NWAYJQLHBBIFSC-XUVXKRRUSA-N -1 3 374.396 3.639 50 0 FHAAHM CCCCNC(=O)N([O-])[C@H]1N(CCCC)C(=O)N(C2CCCC2)C1(C)C ZINC000005249346 206189503 /nfs/dbraw/zinc/18/95/03/206189503.db2.gz IHXYKFLAUYPIGB-MRXNPFEDSA-N -1 3 368.522 3.772 50 0 FHAAHM CCCO[C@@H]1CCCN(C(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)CC1 ZINC000170600685 206271657 /nfs/dbraw/zinc/27/16/57/206271657.db2.gz PEMGXGZNGWEVPS-CYBMUJFWSA-N -1 3 364.392 3.640 50 0 FHAAHM CCOc1cn(-c2ccc(F)cc2)nc1C(=O)[N-]c1cc(F)ccc1F ZINC000011694361 206285157 /nfs/dbraw/zinc/28/51/57/206285157.db2.gz JQQAGWLXUSRAGC-UHFFFAOYSA-N -1 3 361.323 3.941 50 0 FHAAHM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(N3CCCC3=O)cc2)c(C)c1 ZINC000011906566 206286707 /nfs/dbraw/zinc/28/67/07/206286707.db2.gz BSRIMWVWZMZNGY-UHFFFAOYSA-N -1 3 358.463 3.539 50 0 FHAAHM CCOC(=O)c1ccc(-c2c(C)[nH]nc2-c2cc(CC)c(O)cc2[O-])o1 ZINC000012341068 206289865 /nfs/dbraw/zinc/28/98/65/206289865.db2.gz UGRLNGSDESKVIV-UHFFFAOYSA-N -1 3 356.378 3.795 50 0 FHAAHM COc1ccc(CN2CCCC[C@@H]2CCc2ccccn2)cc1C(=O)[O-] ZINC000215064292 206344390 /nfs/dbraw/zinc/34/43/90/206344390.db2.gz ISWWXANYPNRIMP-GOSISDBHSA-N -1 3 354.450 3.776 50 0 FHAAHM COc1ccc(CN(C)Cc2ccc(OC)c3ncccc23)cc1C(=O)[O-] ZINC000215634604 206350465 /nfs/dbraw/zinc/35/04/65/206350465.db2.gz HVAFMWUHUKYNIW-UHFFFAOYSA-N -1 3 366.417 3.582 50 0 FHAAHM CC(C)c1cc(C(=O)N2CCC3(COC(=O)O3)CC2)c([O-])c(C(C)C)c1 ZINC000220172562 206396792 /nfs/dbraw/zinc/39/67/92/206396792.db2.gz WISVUTUEFIRDTL-UHFFFAOYSA-N -1 3 361.438 3.781 50 0 FHAAHM Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3ncccc3[O-])cc12 ZINC000022263494 220381568 /nfs/dbraw/zinc/38/15/68/220381568.db2.gz VDTGAPKVJYOZJQ-UHFFFAOYSA-N -1 3 350.403 3.748 50 0 FHAAHM Cc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccco1 ZINC000245309766 525221836 /nfs/dbraw/zinc/22/18/36/525221836.db2.gz GDRZUJHCHDPAKO-VAMGGRTRSA-N -1 3 374.396 3.639 50 0 FHAAHM Cc1c2ccc(C)cc2oc1C(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000091586615 525963153 /nfs/dbraw/zinc/96/31/53/525963153.db2.gz SZSWMNUOGLLISK-UHFFFAOYSA-N -1 3 361.405 3.502 50 0 FHAAHM Cc1c2ccc(C)cc2oc1C(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000091586615 525963160 /nfs/dbraw/zinc/96/31/60/525963160.db2.gz SZSWMNUOGLLISK-UHFFFAOYSA-N -1 3 361.405 3.502 50 0 FHAAHM Cc1ccc(-n2c(SCc3ccc(F)cc3)nc3c2nc[n-]c3=O)cc1 ZINC000012462155 560212212 /nfs/dbraw/zinc/21/22/12/560212212.db2.gz SXETUOKNFIUUAG-UHFFFAOYSA-N -1 3 366.421 3.849 50 0 biogenic,in-vitro FHAAHM O=C([O-])[C@@H](c1c[nH]c2ccccc21)N1CCN(c2cccc(Cl)c2)CC1 ZINC000012324473 568179871 /nfs/dbraw/zinc/17/98/71/568179871.db2.gz NGNJMFXYCUYTOK-LJQANCHMSA-N -1 3 369.852 3.769 50 0 FHAAHM O=S(=O)([N-]c1ccccc1Br)c1cccc2cccnc21 ZINC000000799260 570457045 /nfs/dbraw/zinc/45/70/45/570457045.db2.gz SKWPMLLBLRFMJW-UHFFFAOYSA-N -1 3 363.236 3.798 50 0 FHAAHM Cc1cc(C(=O)N2CCc3[nH]c(-c4ccc(F)cc4F)nc3C2)ccc1[O-] ZINC000096161452 570478132 /nfs/dbraw/zinc/47/81/32/570478132.db2.gz YJMWMNYEWCUBBB-UHFFFAOYSA-N -1 3 369.371 3.567 50 0 FHAAHM COc1ccc(S(=O)(=O)[N-]Cc2ccc(C)cc2)c(Cl)c1Cl ZINC000001128883 570482544 /nfs/dbraw/zinc/48/25/44/570482544.db2.gz XUDVRDVLHKDREW-UHFFFAOYSA-N -1 3 360.262 3.789 50 0 FHAAHM O=c1c2c3c(c[n-]c-2nn1-c1ccccc1)C(=O)C[C@H](c1ccc(F)cc1)C3 ZINC000100130371 570499829 /nfs/dbraw/zinc/49/98/29/570499829.db2.gz MBTDRCJQELHSLO-CQSZACIVSA-N -1 3 373.387 3.766 50 0 FHAAHM [O-]c1ccccc1C1=Nc2ncnn2[C@@H](c2ccc(Br)cc2)C1 ZINC000100701155 570506910 /nfs/dbraw/zinc/50/69/10/570506910.db2.gz HFGLOSSKYVCKOQ-OAHLLOKOSA-N -1 3 369.222 3.802 50 0 FHAAHM CCC(=O)N1CCCc2cc([N-]S(=O)(=O)c3ccc(C)c(C)c3)ccc21 ZINC000017248137 570747540 /nfs/dbraw/zinc/74/75/40/570747540.db2.gz CMHSFDRAQWTCQF-UHFFFAOYSA-N -1 3 372.490 3.793 50 0 FHAAHM CCN1c2ccc([N-]S(=O)(=O)c3ccc(C(C)C)cc3)cc2CC1=O ZINC000017288994 570748089 /nfs/dbraw/zinc/74/80/89/570748089.db2.gz DXVILNSUOQZWTF-UHFFFAOYSA-N -1 3 358.463 3.520 50 0 FHAAHM CCN(CC)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000014251986 570816273 /nfs/dbraw/zinc/81/62/73/570816273.db2.gz VARNLJFSOGMGBI-UHFFFAOYSA-N -1 3 366.870 3.623 50 0 FHAAHM O=C(N[C@@H]1CCSc2ccc(F)cc21)c1c[n-]c2ccccc2c1=O ZINC000032820962 570817522 /nfs/dbraw/zinc/81/75/22/570817522.db2.gz QKPJTPWBUXGNTI-MRXNPFEDSA-N -1 3 354.406 3.634 50 0 FHAAHM Cc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3CC(C)C)c1 ZINC000102726038 570836563 /nfs/dbraw/zinc/83/65/63/570836563.db2.gz KBXOHNGGERDOMT-VAMGGRTRSA-N -1 3 364.445 3.720 50 0 FHAAHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc(Cl)ccc3F)c2)n1 ZINC000047317368 570886033 /nfs/dbraw/zinc/88/60/33/570886033.db2.gz BCZUWNJCJMKAJV-UHFFFAOYSA-N -1 3 357.772 3.790 50 0 FHAAHM O=C(Nc1ccccc1[O-])[C@H](c1ccccc1)N1Cc2ccccc2C1=O ZINC000020737330 570924562 /nfs/dbraw/zinc/92/45/62/570924562.db2.gz RBEFZFWBHNDJCL-FQEVSTJZSA-N -1 3 358.397 3.728 50 0 FHAAHM CC(C)n1ncc2c1nc(-c1cccs1)cc2C(=O)[N-]c1nncs1 ZINC000021215769 570928908 /nfs/dbraw/zinc/92/89/08/570928908.db2.gz OTWLFKAZGXHCDI-UHFFFAOYSA-N -1 3 370.463 3.845 50 0 FHAAHM CCOC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000048356494 570950632 /nfs/dbraw/zinc/95/06/32/570950632.db2.gz YGZKKSHFLRNBCA-UHFFFAOYSA-N -1 3 352.387 3.503 50 0 FHAAHM O=C([N-]c1nc[nH]n1)c1sc2cccc(F)c2c1COc1ccccc1 ZINC000023141048 570956912 /nfs/dbraw/zinc/95/69/12/570956912.db2.gz BLZUWQCIXHSQIP-UHFFFAOYSA-N -1 3 368.393 3.990 50 0 FHAAHM Cc1nc(-c2ccccc2)[n-]c(=O)c1CCC(=O)N1c2ccccc2C[C@@H]1C ZINC000026927371 571009243 /nfs/dbraw/zinc/00/92/43/571009243.db2.gz USKXDKUZLWNXDF-HNNXBMFYSA-N -1 3 373.456 3.656 50 0 FHAAHM Cc1cc2oc(C(=O)[N-]c3onc4c3C[C@@H](C)CC4)cc(=O)c2cc1C ZINC000027748254 571020051 /nfs/dbraw/zinc/02/00/51/571020051.db2.gz OEHBLHZIHSMWAJ-JTQLQIEISA-N -1 3 352.390 3.775 50 0 FHAAHM C[C@H]([N-]C(=O)C(F)(F)c1ccccc1)c1ccc(Br)cn1 ZINC000225435106 571034945 /nfs/dbraw/zinc/03/49/45/571034945.db2.gz TYWVFZWJHHUYHY-JTQLQIEISA-N -1 3 355.182 3.813 50 0 FHAAHM Cc1cccc(-n2ccnc2SCC(=O)Nc2ccccc2[O-])c1C ZINC000012743010 571064280 /nfs/dbraw/zinc/06/42/80/571064280.db2.gz HXCHSHDJHGLQMX-UHFFFAOYSA-N -1 3 353.447 3.926 50 0 FHAAHM Cc1cc([N-]C(=O)[C@H](C)OC(=O)c2ccc3c(c2)Cc2ccccc2-3)on1 ZINC000046277322 571078520 /nfs/dbraw/zinc/07/85/20/571078520.db2.gz LGQIJVXCUWMQSX-ZDUSSCGKSA-N -1 3 362.385 3.738 50 0 FHAAHM Cc1nc(SCC(=O)Nc2ccccc2[O-])[nH]c1Cc1ccccc1 ZINC000012773573 571092937 /nfs/dbraw/zinc/09/29/37/571092937.db2.gz 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Cc1ccc(C(=O)N2CCc3[nH]nc(-c4ccc(Cl)cc4)c3C2)c([O-])c1 ZINC000067946950 571152091 /nfs/dbraw/zinc/15/20/91/571152091.db2.gz BSVYQPDKKBDNMU-UHFFFAOYSA-N -1 3 367.836 3.943 50 0 FHAAHM Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)Nc3ccccc3[O-])c12 ZINC000012943241 571153247 /nfs/dbraw/zinc/15/32/47/571153247.db2.gz IPSOACDURCPJII-UHFFFAOYSA-N -1 3 358.401 3.902 50 0 FHAAHM CC(C)(C)c1ccc(OCCNCc2c([O-])c3ccccc3oc2=O)cc1 ZINC000016323263 571161481 /nfs/dbraw/zinc/16/14/81/571161481.db2.gz UMZYSJZKLBELJL-UHFFFAOYSA-N -1 3 367.445 3.965 50 0 FHAAHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1ccccc1-c1ccccc1 ZINC000012535948 571176017 /nfs/dbraw/zinc/17/60/17/571176017.db2.gz YTLPYKJJIIFWCR-UHFFFAOYSA-N -1 3 366.442 3.977 50 0 FHAAHM CC(C)(C)c1cc(C(=O)N[C@H]2CCC[C@H]2Cc2ccc(F)cc2)[n-]c(=O)n1 ZINC000299755182 571191904 /nfs/dbraw/zinc/19/19/04/571191904.db2.gz CYXKMBHVIJQSPU-HOCLYGCPSA-N -1 3 371.456 3.760 50 0 FHAAHM O=C(NCCSC1CCCCC1)c1cccc(-c2cc(=O)[n-]cn2)c1 ZINC000299783954 571198836 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CCOC(=O)c1c(C)c(C(=O)OC(C)C)sc1[N-]C(=O)c1ccco1 ZINC000000959536 209384278 /nfs/dbraw/zinc/38/42/78/209384278.db2.gz DXFKXMMKAOTLTB-UHFFFAOYSA-N -1 3 365.407 3.644 50 0 FHAAHM COc1ccc(OC)c([C@H]2[N-]c3nonc3N=C3CC(C)(C)CC(=O)C32)c1 ZINC000102742078 209240565 /nfs/dbraw/zinc/24/05/65/209240565.db2.gz JKKUQCGAMGBGRT-MRXNPFEDSA-N -1 3 370.409 3.958 50 0 FHAAHM CCCC[C@@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C([O-])=C2ON1c1ccccc1 ZINC000102735781 209240218 /nfs/dbraw/zinc/24/02/18/209240218.db2.gz MVNVHGOJCFGFJL-GUDVDZBRSA-N -1 3 368.408 3.694 50 0 FHAAHM O=C1C[C@H](c2ccco2)CC2=Nc3nonc3[N-][C@H](c3ccc(O)cc3)C12 ZINC000102751571 209240274 /nfs/dbraw/zinc/24/02/74/209240274.db2.gz PMDCRLRZLHARNO-PIGZYNQJSA-N -1 3 364.361 3.997 50 0 FHAAHM CCC[C@@H]1[C@@H]2C(=O)N(c3c(C)cccc3C)C([O-])=C2ON1c1ccccc1 ZINC000101063882 209220433 /nfs/dbraw/zinc/22/04/33/209220433.db2.gz QSKYXFFJXIDPSS-HBFSDRIKSA-N -1 3 364.445 3.782 50 0 FHAAHM CC1=Nc2c(c(=O)[n-]n2[C@H]2CCOC(C)(C)C2)[C@H](c2ccc(O)cc2)S1 ZINC000096117470 209114650 /nfs/dbraw/zinc/11/46/50/209114650.db2.gz OINHZXXIAXFGON-BBRMVZONSA-N -1 3 373.478 3.898 50 0 FHAAHM CC1(C)Cc2ccccc2C(N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])=N1 ZINC000000816628 206834727 /nfs/dbraw/zinc/83/47/27/206834727.db2.gz VYWADWPICLYLCL-IBGZPJMESA-N -1 3 361.445 3.535 50 0 biogenic FHAAHM Cc1ccc(C(=O)N2NC3=C(CCCC3)[C@@]2([O-])C(F)(F)F)cc1Cl ZINC000004199265 207008418 /nfs/dbraw/zinc/00/84/18/207008418.db2.gz UDAUADKJEUEBMD-IAQYHMDHSA-N -1 3 360.763 3.901 50 0 FHAAHM Cc1ccc([N-]S(=O)(=O)c2cc3c4c(c2)CCCN4C(=O)[C@@H]3C)cc1C ZINC000004270479 207009129 /nfs/dbraw/zinc/00/91/29/207009129.db2.gz BKGFUJJZDBHJDT-CQSZACIVSA-N -1 3 370.474 3.501 50 0 FHAAHM CCCC1=C[C@]([O-])(C(F)(F)F)N(C(=O)COc2c(C)cc(C)cc2C)N1 ZINC000004600610 207032575 /nfs/dbraw/zinc/03/25/75/207032575.db2.gz KGNKBHOIEMYBTP-KRWDZBQOSA-N -1 3 372.387 3.630 50 0 FHAAHM Cc1c([O-])ccc2c(C)c(CCC(=O)NCc3ccc(F)cc3)c(=O)oc12 ZINC000004743367 207044274 /nfs/dbraw/zinc/04/42/74/207044274.db2.gz HWXZMDZGHHRUKX-UHFFFAOYSA-N -1 3 369.392 3.504 50 0 FHAAHM COc1ccc(-c2cc(C(=O)Nc3cc(Cl)ccc3[O-])no2)cc1OC ZINC000004880895 207058736 /nfs/dbraw/zinc/05/87/36/207058736.db2.gz ZFHWLUWYCCLCOB-UHFFFAOYSA-N -1 3 374.780 3.970 50 0 FHAAHM [O-]c1ccc2c(c1)Oc1ncn3nc(-c4ccco4)nc3c1[C@H]2c1ccco1 ZINC000005345937 207094948 /nfs/dbraw/zinc/09/49/48/207094948.db2.gz ZBXXJMDAEPULSO-MRXNPFEDSA-N -1 3 372.340 3.969 50 0 FHAAHM CCCOc1ccc([C@H]2SCC(=O)Nc3c2c(=O)[n-]n3C(C)C)cc1 ZINC000006073272 207128082 /nfs/dbraw/zinc/12/80/82/207128082.db2.gz SPGOCVIMUAHYKV-MRXNPFEDSA-N -1 3 361.467 3.970 50 0 FHAAHM Cc1cc(Cl)ccc1OCc1nc(SCC(=O)c2ccc[nH]2)n[n-]1 ZINC000006589406 207147702 /nfs/dbraw/zinc/14/77/02/207147702.db2.gz QGYKUERPUGNWLN-UHFFFAOYSA-N -1 3 362.842 3.649 50 0 FHAAHM COc1ccc(Nc2nc(COC(=O)c3ccc([O-])cc3O)cs2)cc1 ZINC000006534610 207144586 /nfs/dbraw/zinc/14/45/86/207144586.db2.gz YNXRFUOLSMIRND-UHFFFAOYSA-N -1 3 372.402 3.664 50 0 FHAAHM O=S(=O)([N-]CCc1ccc(C(F)(F)F)cc1)c1ccc(Cl)s1 ZINC000006847004 207171659 /nfs/dbraw/zinc/17/16/59/207171659.db2.gz IEHOUQFQYMLPSE-UHFFFAOYSA-N -1 3 369.817 3.941 50 0 FHAAHM CCc1nnc([N-]C(=O)c2c(C)nn(Cc3ccccc3)c2Cl)s1 ZINC000007347165 207193545 /nfs/dbraw/zinc/19/35/45/207193545.db2.gz ZUQNLSZYKZFZEQ-UHFFFAOYSA-N -1 3 361.858 3.559 50 0 FHAAHM Cc1cccc(C)c1NC(=O)[C@H](C)Sc1nc2ccccc2c(=O)[n-]1 ZINC000008919030 207251217 /nfs/dbraw/zinc/25/12/17/207251217.db2.gz XURXASLCQXLDOG-ZDUSSCGKSA-N -1 3 353.447 3.659 50 0 FHAAHM C[C@H](Sc1nc2ccccc2c(=O)[n-]1)C(=O)Nc1ccc(Cl)cc1 ZINC000009703415 207282436 /nfs/dbraw/zinc/28/24/36/207282436.db2.gz QHJKAVPBVQJMGX-JTQLQIEISA-N -1 3 359.838 3.696 50 0 FHAAHM O=S(=O)([N-][C@@H]1CCSc2c(F)cccc21)c1cc(F)cc(F)c1 ZINC000010518205 207301633 /nfs/dbraw/zinc/30/16/33/207301633.db2.gz AENNVCNFWBWGKC-CQSZACIVSA-N -1 3 359.394 3.619 50 0 FHAAHM COc1ccc(C(=O)NCCc2ccc(-c3csc(C)n3)s2)c([O-])c1 ZINC000012396410 207369432 /nfs/dbraw/zinc/36/94/32/207369432.db2.gz NZLOVFYBHGCNDI-UHFFFAOYSA-N -1 3 374.487 3.867 50 0 FHAAHM O=S(=O)([N-]c1ccc2nc(C(F)(F)F)[nH]c2c1)c1ccc(F)cc1 ZINC000033872033 208101339 /nfs/dbraw/zinc/10/13/39/208101339.db2.gz LTKMUCJCHFJWNP-UHFFFAOYSA-N -1 3 359.304 3.522 50 0 FHAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H]3C[C@@H]3C)cc2)cc1C ZINC000033026479 208066306 /nfs/dbraw/zinc/06/63/06/208066306.db2.gz HYQVEDHQCCBMNL-KSSFIOAISA-N -1 3 358.463 3.699 50 0 FHAAHM Cc1nnc([N-]C(=O)c2sc(COc3cccc(C)c3)nc2C)s1 ZINC000035538771 208130436 /nfs/dbraw/zinc/13/04/36/208130436.db2.gz RDJICXHUDSWENM-UHFFFAOYSA-N -1 3 360.464 3.751 50 0 FHAAHM O=S(=O)([N-]c1ccc(F)cc1F)c1ccc(Br)c(F)c1 ZINC000095067867 209018262 /nfs/dbraw/zinc/01/82/62/209018262.db2.gz RMDBRSKFOSKWRU-UHFFFAOYSA-N -1 3 366.158 3.667 50 0 FHAAHM COc1cccc(OCCN2CCC[C@@H](c3cccc(C(=O)[O-])c3)C2)c1 ZINC000095353581 209024510 /nfs/dbraw/zinc/02/45/10/209024510.db2.gz UAFFEVVCTIZELH-GOSISDBHSA-N -1 3 355.434 3.652 50 0 FHAAHM O=C(Nc1ccccc1[O-])c1ccn(-c2cccc(Br)c2)n1 ZINC000095389685 209045776 /nfs/dbraw/zinc/04/57/76/209045776.db2.gz DBEOIWVHPPUZMM-UHFFFAOYSA-N -1 3 358.195 3.593 50 0 FHAAHM COc1cccc(CN2CCC[C@@H](c3ccc(C(=O)[O-])cc3)C2)c1OC ZINC000095364676 209030974 /nfs/dbraw/zinc/03/09/74/209030974.db2.gz UCRBPBNCDFIZKS-QGZVFWFLSA-N -1 3 355.434 3.782 50 0 FHAAHM CCOC(=O)c1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)c([O-])c1 ZINC000095398742 209048008 /nfs/dbraw/zinc/04/80/08/209048008.db2.gz XYJFOPQYEJOMHI-UHFFFAOYSA-N -1 3 353.296 3.840 50 0 FHAAHM CC(C)c1cccc(N(C)Cc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)c1 ZINC000089893472 519841451 /nfs/dbraw/zinc/84/14/51/519841451.db2.gz LFKYYCTUMOBYAO-UHFFFAOYSA-N -1 3 373.460 3.869 50 0 FHAAHM Cc1nc(C)c(C(=O)[N-]c2nnc(SCc3cccs3)s2)o1 ZINC000079026255 526704442 /nfs/dbraw/zinc/70/44/42/526704442.db2.gz DSTQCZLNMMLGPQ-UHFFFAOYSA-N -1 3 352.466 3.749 50 0 FHAAHM Cc1cc(NC(=O)C(=S)[N-]Cc2ccccc2)ccc1Br ZINC000000625664 570439601 /nfs/dbraw/zinc/43/96/01/570439601.db2.gz MGXVOBSAAVASIC-UHFFFAOYSA-N -1 3 363.280 3.813 50 0 FHAAHM CC1(C)Cc2ccccc2C(N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])=N1 ZINC000000816629 570458328 /nfs/dbraw/zinc/45/83/28/570458328.db2.gz VYWADWPICLYLCL-LJQANCHMSA-N -1 3 361.445 3.535 50 0 biogenic FHAAHM CC(C)Cc1ccc([C@@H](C)NC(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1 ZINC000011659029 570496862 /nfs/dbraw/zinc/49/68/62/570496862.db2.gz URHUJOLISYUNPE-OAHLLOKOSA-N -1 3 374.506 3.748 50 0 FHAAHM CC(=O)Cc1nsc([N-]C(=O)c2ccc(-c3cccc(Cl)c3)o2)n1 ZINC000002709857 570527972 /nfs/dbraw/zinc/52/79/72/570527972.db2.gz JARXULFGFSTCKZ-UHFFFAOYSA-N -1 3 361.810 3.835 50 0 FHAAHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(Br)c(C)c2)cc1 ZINC000002843766 570536124 /nfs/dbraw/zinc/53/61/24/570536124.db2.gz FUOXBMBUROAHIO-UHFFFAOYSA-N -1 3 370.268 3.957 50 0 FHAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2C)cc1C ZINC000002883078 570542751 /nfs/dbraw/zinc/54/27/51/570542751.db2.gz SYOIHCQXIBTEIB-UHFFFAOYSA-N -1 3 370.268 3.875 50 0 FHAAHM Cc1cc([N-]C(=O)c2ccc(COc3c(F)c(F)cc(F)c3F)o2)no1 ZINC000002781587 570671395 /nfs/dbraw/zinc/67/13/95/570671395.db2.gz KOYWUUSRINYYAT-UHFFFAOYSA-N -1 3 370.258 3.964 50 0 FHAAHM CCN1c2ccc([N-]S(=O)(=O)c3ccc(C(C)C)cc3)cc2CCC1=O ZINC000017289183 570748174 /nfs/dbraw/zinc/74/81/74/570748174.db2.gz UKQAPDSYXYCTFA-UHFFFAOYSA-N -1 3 372.490 3.910 50 0 FHAAHM Cc1cc([N-]C(=O)c2nc(-c3cccs3)n(-c3cccc(F)c3)n2)no1 ZINC000012790737 570761962 /nfs/dbraw/zinc/76/19/62/570761962.db2.gz DIPGQLAFWKFVNY-UHFFFAOYSA-N -1 3 369.381 3.684 50 0 FHAAHM O=S(=O)([N-]CCc1c[nH]c2ccccc12)c1ccc(Cl)c(Cl)c1 ZINC000001048721 570763395 /nfs/dbraw/zinc/76/33/95/570763395.db2.gz VHSFCFQOMDPFDY-UHFFFAOYSA-N -1 3 369.273 3.996 50 0 FHAAHM O=c1nc(CSc2nnc(C3CC3)o2)[n-]c2scc(-c3ccco3)c21 ZINC000012803292 570763831 /nfs/dbraw/zinc/76/38/31/570763831.db2.gz YHMIKGHUXKQUFN-UHFFFAOYSA-N -1 3 372.431 3.797 50 0 FHAAHM CCOC(=O)c1sc2[n-]c(CSc3ccccc3)nc(=O)c2c1C ZINC000013637728 570781677 /nfs/dbraw/zinc/78/16/77/570781677.db2.gz ABIGKKMRHQHDCY-UHFFFAOYSA-N -1 3 360.460 3.762 50 0 FHAAHM O=c1[n-]c(CN2CCC(OCc3ccccc3)CC2)nc2ccsc21 ZINC000014076613 570803812 /nfs/dbraw/zinc/80/38/12/570803812.db2.gz QJPXVMFZRSPFNC-UHFFFAOYSA-N -1 3 355.463 3.578 50 0 FHAAHM O=S(=O)([N-]c1cc2c(cc1Cl)OCCO2)c1ccc(Cl)cc1 ZINC000014240152 570814717 /nfs/dbraw/zinc/81/47/17/570814717.db2.gz GLIHGOUHAQTTJH-UHFFFAOYSA-N -1 3 360.218 3.565 50 0 FHAAHM CC(=O)N[C@H](C)c1ccc(-c2csc([N-]C(=O)c3cc(C)no3)n2)cc1 ZINC000012048181 570888560 /nfs/dbraw/zinc/88/85/60/570888560.db2.gz HQNSZGWIIIPNSP-LLVKDONJSA-N -1 3 370.434 3.556 50 0 FHAAHM Cc1cc(S(=O)(=O)[N-]C2(c3noc(C)n3)CCCCCC2)c(C)s1 ZINC000024689330 570979692 /nfs/dbraw/zinc/97/96/92/570979692.db2.gz DNZLXDNKCLJSQK-UHFFFAOYSA-N -1 3 369.512 3.584 50 0 FHAAHM Cc1ccc(-n2ccnc2SCC(=O)Nc2ccccc2[O-])cc1C ZINC000012742531 571063888 /nfs/dbraw/zinc/06/38/88/571063888.db2.gz DECZPRCECVMCBU-UHFFFAOYSA-N -1 3 353.447 3.926 50 0 FHAAHM CCC[C@@H]1[C@@H]2C(=O)N(c3cccc(Cl)c3)C([O-])=C2ON1c1ccccc1 ZINC000226864283 571085549 /nfs/dbraw/zinc/08/55/49/571085549.db2.gz YQUPYKFFHHVBLL-FGTMMUONSA-N -1 3 370.836 3.819 50 0 FHAAHM CCCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)c3ccccc32)cc1OC 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COc1ccc([N-]C(NC(=O)C(C)C)(C(F)(F)F)C(F)(F)F)cc1 ZINC000012401196 207369782 /nfs/dbraw/zinc/36/97/82/207369782.db2.gz JXQAVWHPKUYJQD-UHFFFAOYSA-N -1 3 358.282 3.700 50 0 FHAAHM CC[C@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)cc2)ccc1C ZINC000012526023 207385299 /nfs/dbraw/zinc/38/52/99/207385299.db2.gz XHBFLUGXZPZXLL-HNNXBMFYSA-N -1 3 360.479 3.633 50 0 FHAAHM COc1ccc([O-])c(C(=O)NCc2ccc(-c3csc(C)n3)s2)c1 ZINC000012905358 207433923 /nfs/dbraw/zinc/43/39/23/207433923.db2.gz IFDJSNROHFMSMB-UHFFFAOYSA-N -1 3 360.460 3.824 50 0 FHAAHM Cc1nc(C)c(CCC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)c(=O)[n-]1 ZINC000013000015 207447072 /nfs/dbraw/zinc/44/70/72/207447072.db2.gz WFCZRPCWECBKAI-VIFPVBQESA-N -1 3 368.264 3.504 50 0 FHAAHM O=C(Nc1ccccc1[O-])c1nn(-c2ccc(F)cc2)c2c1CCCC2 ZINC000014780089 207527579 /nfs/dbraw/zinc/52/75/79/207527579.db2.gz RRKUPHJTEDSBJE-UHFFFAOYSA-N -1 3 351.381 3.848 50 0 FHAAHM O=C(NC[C@H](c1c(F)cccc1Cl)N1CCCC1)c1ccccc1[O-] ZINC000031896250 208019067 /nfs/dbraw/zinc/01/90/67/208019067.db2.gz MRFINVIIZNDFRB-MRXNPFEDSA-N -1 3 362.832 3.752 50 0 FHAAHM CCOc1cccc2cc([C@H](C)NC(=O)c3ccc4n[n-]nc4c3)oc21 ZINC000032744960 208039165 /nfs/dbraw/zinc/03/91/65/208039165.db2.gz SASYPRBKBHKTOE-NSHDSACASA-N -1 3 350.378 3.594 50 0 FHAAHM O=S(=O)([N-]CCCn1ccc2ccccc21)c1ccc(F)cc1Cl ZINC000032759042 208039303 /nfs/dbraw/zinc/03/93/03/208039303.db2.gz LDQXEKIYYUKZHU-UHFFFAOYSA-N -1 3 366.845 3.802 50 0 FHAAHM CCS(=O)(=O)[N-]c1ccc(-c2noc(/C=C/c3ccc(C)cc3)n2)cc1 ZINC000033276354 208081470 /nfs/dbraw/zinc/08/14/70/208081470.db2.gz YXHWURXRPCZPBO-MDWZMJQESA-N -1 3 369.446 3.977 50 0 FHAAHM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)cc2)cc1 ZINC000035212838 208118675 /nfs/dbraw/zinc/11/86/75/208118675.db2.gz XQABBHBFHWHMKF-UHFFFAOYSA-N -1 3 355.463 3.971 50 0 in-vitro FHAAHM COC(=O)c1cc([N-]C(=O)c2cc(-c3cccc(F)c3)no2)ccc1F ZINC000036760419 208173615 /nfs/dbraw/zinc/17/36/15/208173615.db2.gz BLVWPZJLPZXCBT-UHFFFAOYSA-N -1 3 358.300 3.659 50 0 FHAAHM COc1ccc(-c2csc3[n-]c(CN4CCCCC4)nc(=O)c23)cc1 ZINC000036203978 208149479 /nfs/dbraw/zinc/14/94/79/208149479.db2.gz ONHFRHWLDNUTFU-UHFFFAOYSA-N -1 3 355.463 3.646 50 0 FHAAHM O=c1[n-]cnc2c1nc(SCc1ccc(F)cc1)n2-c1ccccc1 ZINC000075346022 208193460 /nfs/dbraw/zinc/19/34/60/208193460.db2.gz LUKUECZLJYGKMW-UHFFFAOYSA-N -1 3 352.394 3.540 50 0 FHAAHM O=C([O-])[C@@H](c1ccc(F)cc1)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000095376156 209036796 /nfs/dbraw/zinc/03/67/96/209036796.db2.gz SAFFJXHFEVUOKZ-QGZVFWFLSA-N -1 3 363.816 3.588 50 0 FHAAHM O=c1[n-]n(C2CCCCC2)c2c1[C@H](c1cccc(O)c1)SCC(=O)N2 ZINC000095475356 209056842 /nfs/dbraw/zinc/05/68/42/209056842.db2.gz BNPMZFOTHNRHCR-INIZCTEOSA-N -1 3 359.451 3.811 50 0 FHAAHM COCCN1CCCc2ccc([N-]S(=O)(=O)c3ccc(C)c(C)c3)cc21 ZINC000035588227 136118221 /nfs/dbraw/zinc/11/82/21/136118221.db2.gz JKZGANVUVGGHCH-UHFFFAOYSA-N -1 3 374.506 3.503 50 0 FHAAHM O=c1cc([C@H]2CCCN(c3nccc4occc43)C2)nc(-c2ccccc2)[n-]1 ZINC000067674065 136137242 /nfs/dbraw/zinc/13/72/42/136137242.db2.gz RCZGKEJRZMIIDI-INIZCTEOSA-N -1 3 372.428 3.962 50 0 FHAAHM CC(C)(C)c1cc([N-]C(=O)COC(=O)c2cc(F)c(F)cc2Cl)on1 ZINC000009642684 263362322 /nfs/dbraw/zinc/36/23/22/263362322.db2.gz QSKRGUGHPBLAMG-UHFFFAOYSA-N -1 3 372.755 3.699 50 0 FHAAHM CN(Cc1ccoc1)Cc1ccc(-c2nc(-c3ccccn3)cc(=O)[n-]2)cc1 ZINC000020866300 523475090 /nfs/dbraw/zinc/47/50/90/523475090.db2.gz PTPJFJDAFYPYBZ-UHFFFAOYSA-N -1 3 372.428 3.724 50 0 FHAAHM O=C(NCc1cccc(Cn2cnc3ccccc32)c1)c1ccccc1[O-] ZINC000084500174 526717620 /nfs/dbraw/zinc/71/76/20/526717620.db2.gz VFEOMKSMHBPUBJ-UHFFFAOYSA-N -1 3 357.413 3.720 50 0 FHAAHM CCOc1ccc([C@H](c2sc3nc(C)nn3c2[O-])N2CCCCC2)cc1 ZINC000022626021 570455796 /nfs/dbraw/zinc/45/57/96/570455796.db2.gz GXLBHNANEFQCBX-MRXNPFEDSA-N -1 3 372.494 3.779 50 0 FHAAHM CC(=O)Cc1nsc([N-]C(=O)c2ccc(-c3ccccc3Cl)o2)n1 ZINC000000812143 570458013 /nfs/dbraw/zinc/45/80/13/570458013.db2.gz RDOQVOTZDDPBSG-UHFFFAOYSA-N -1 3 361.810 3.835 50 0 FHAAHM O=C(Nc1ccc(OC(F)(F)F)cc1)C(=S)[N-]Cc1ccccc1 ZINC000001040917 570475021 /nfs/dbraw/zinc/47/50/21/570475021.db2.gz RZKILVUNYSERGV-UHFFFAOYSA-N -1 3 354.353 3.641 50 0 FHAAHM CCc1nnc([N-]C(=O)c2cc(-c3ccccc3)nc3onc(C)c32)s1 ZINC000014208840 570519573 /nfs/dbraw/zinc/51/95/73/570519573.db2.gz HOEUNHMSQYRCMH-UHFFFAOYSA-N -1 3 365.418 3.864 50 0 FHAAHM COC(=O)CS[C@@H](C)c1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000023647137 570542698 /nfs/dbraw/zinc/54/26/98/570542698.db2.gz KFBJIZKSZSIJEP-JTQLQIEISA-N -1 3 360.460 3.619 50 0 FHAAHM O=C([O-])[C@H]1Cc2c3ccccc3[nH]c2[C@@H](c2cccc(C(F)(F)F)c2)N1 ZINC000003679019 570567685 /nfs/dbraw/zinc/56/76/85/570567685.db2.gz BCAAQHIVHZXLCQ-HZPDHXFCSA-N -1 3 360.335 3.875 50 0 biogenic FHAAHM O=C([O-])[C@@H]1Cc2c3ccccc3[nH]c2[C@H](c2cccc(Br)c2)N1 ZINC000004028121 570573170 /nfs/dbraw/zinc/57/31/70/570573170.db2.gz SZGJJVMTOLANFC-HOTGVXAUSA-N -1 3 371.234 3.619 50 0 biogenic FHAAHM COC(=O)c1c([N-]C(=O)c2ccc(Br)o2)sc2c1CCC2 ZINC000000997445 570763055 /nfs/dbraw/zinc/76/30/55/570763055.db2.gz PLJCCZKGKWZEFB-UHFFFAOYSA-N -1 3 370.224 3.631 50 0 FHAAHM Cc1ccc(-c2nc3ccc([N-]S(=O)(=O)c4ccccc4)cc3[nH]2)o1 ZINC000013108208 570773820 /nfs/dbraw/zinc/77/38/20/570773820.db2.gz YTSCLRTXBGENAR-UHFFFAOYSA-N -1 3 353.403 3.932 50 0 FHAAHM COC(=O)c1c(-c2ccc(OC)cc2)csc1[N-]C(=O)c1cc(C)on1 ZINC000013328644 570776859 /nfs/dbraw/zinc/77/68/59/570776859.db2.gz PSEKQEOADUWOQD-UHFFFAOYSA-N -1 3 372.402 3.759 50 0 FHAAHM COc1ccccc1CCNCc1ccc(-c2cccc(C(=O)[O-])c2)o1 ZINC000013719437 570786364 /nfs/dbraw/zinc/78/63/64/570786364.db2.gz HRXVATBMJSVATM-UHFFFAOYSA-N -1 3 351.402 3.986 50 0 FHAAHM COc1ccc(CCNc2nc(-c3ccc(O)cc3[O-])cs2)cc1OC ZINC000014093704 570805020 /nfs/dbraw/zinc/80/50/20/570805020.db2.gz JEZNOFDDJXEKFX-UHFFFAOYSA-N -1 3 372.446 3.893 50 0 FHAAHM Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)Nc2ccccc2[O-])cc1 ZINC000014181225 570810410 /nfs/dbraw/zinc/81/04/10/570810410.db2.gz UXXHNERRBVSFEB-UHFFFAOYSA-N -1 3 371.396 3.652 50 0 FHAAHM Cc1ccc2nc(Nc3nc(-c4ccc(F)cc4)cc(=O)[n-]3)nc(C)c2c1 ZINC000018223015 570815544 /nfs/dbraw/zinc/81/55/44/570815544.db2.gz TTYDMTOKMQAQDJ-UHFFFAOYSA-N -1 3 361.380 3.880 50 0 FHAAHM Cc1cccc(/C=C/C(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)c1 ZINC000012887412 570817136 /nfs/dbraw/zinc/81/71/36/570817136.db2.gz AZJAWKGGXOAQHI-MDZDMXLPSA-N -1 3 364.445 3.591 50 0 FHAAHM O=C(CSc1nnc(-c2ccco2)[n-]1)Nc1ccc(C(F)(F)F)cc1 ZINC000032873552 570828483 /nfs/dbraw/zinc/82/84/83/570828483.db2.gz QNSHSHZTJAPIGF-UHFFFAOYSA-N -1 3 368.340 3.814 50 0 FHAAHM O=C(CSc1nc(-c2ccco2)n[n-]1)Nc1ccc(C(F)(F)F)cc1 ZINC000032873552 570828484 /nfs/dbraw/zinc/82/84/84/570828484.db2.gz QNSHSHZTJAPIGF-UHFFFAOYSA-N -1 3 368.340 3.814 50 0 FHAAHM O=C(CSc1n[n-]c(-c2ccco2)n1)Nc1ccc(C(F)(F)F)cc1 ZINC000032873552 570828485 /nfs/dbraw/zinc/82/84/85/570828485.db2.gz QNSHSHZTJAPIGF-UHFFFAOYSA-N -1 3 368.340 3.814 50 0 FHAAHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)nc1)C12CC3CC(CC(C3)C1)C2 ZINC000016093370 570865036 /nfs/dbraw/zinc/86/50/36/570865036.db2.gz VCXBYXGNJSMJEF-SFCYXTAJSA-N -1 3 354.903 3.618 50 0 FHAAHM O=C1C[C@H](c2ccccc2Cl)c2c(=O)[n-]c(-c3ccccc3)nc2N1 ZINC000017045722 570865344 /nfs/dbraw/zinc/86/53/44/570865344.db2.gz FOVNHZIDQBAYSR-CYBMUJFWSA-N -1 3 351.793 3.564 50 0 FHAAHM C[C@]12CC3CC(C(=O)Nc4cccc(-c5nnn[n-]5)c4)(C1)C[C@@](C)(C3)C2 ZINC000017072949 570866185 /nfs/dbraw/zinc/86/61/85/570866185.db2.gz MCGRYYFWPHUMFL-GOSFSIBNSA-N -1 3 351.454 3.802 50 0 FHAAHM C[C@]12CC3CC(C(=O)Nc4cccc(-c5nn[n-]n5)c4)(C1)C[C@@](C)(C3)C2 ZINC000017072949 570866190 /nfs/dbraw/zinc/86/61/90/570866190.db2.gz MCGRYYFWPHUMFL-GOSFSIBNSA-N -1 3 351.454 3.802 50 0 FHAAHM Cc1csc(NC(=O)c2cc(=O)c(OCc3ccc(F)cc3)c[n-]2)n1 ZINC000012168746 570890413 /nfs/dbraw/zinc/89/04/13/570890413.db2.gz CJEKWSTTXPAWPZ-UHFFFAOYSA-N -1 3 359.382 3.523 50 0 FHAAHM CCOC(=O)c1sc([N-]C(=O)c2cc(-c3ccc(C)cc3)on2)nc1C ZINC000021149530 570928365 /nfs/dbraw/zinc/92/83/65/570928365.db2.gz MFSHPKBZTISTGN-UHFFFAOYSA-N -1 3 371.418 3.844 50 0 FHAAHM O=C(COc1ccc(C2SCCCS2)cc1)Nc1ncccc1[O-] ZINC000022264227 570942395 /nfs/dbraw/zinc/94/23/95/570942395.db2.gz MLWPHHKMZOZLBB-UHFFFAOYSA-N -1 3 362.476 3.673 50 0 FHAAHM CCc1cc(=O)[n-]c(-c2cccc(CN3CCC[C@@H]3c3ccccn3)c2)n1 ZINC000023398268 570963306 /nfs/dbraw/zinc/96/33/06/570963306.db2.gz NPQODOZEHOMHKU-HXUWFJFHSA-N -1 3 360.461 3.731 50 0 FHAAHM CCCc1ccc(S(=O)(=O)[N-]c2ccc(F)c(NC(C)=O)c2)cc1 ZINC000025510053 570996442 /nfs/dbraw/zinc/99/64/42/570996442.db2.gz JQHSTXZBTZCYSL-UHFFFAOYSA-N -1 3 350.415 3.537 50 0 FHAAHM O=C(NC[C@@H](c1ccco1)N1CCCC1)c1cc2ccccc2cc1[O-] ZINC000027333894 571011773 /nfs/dbraw/zinc/01/17/73/571011773.db2.gz DXXJAWQSDLHVMO-SFHVURJKSA-N -1 3 350.418 3.705 50 0 FHAAHM CC(C)c1ccc(C(=O)N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)c([O-])c1 ZINC000052900054 571047922 /nfs/dbraw/zinc/04/79/22/571047922.db2.gz DHZTZBKTTDKSAU-MRXNPFEDSA-N -1 3 372.509 3.626 50 0 FHAAHM COc1ccc(Br)cc1CN1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000294287243 571054830 /nfs/dbraw/zinc/05/48/30/571054830.db2.gz UUZYADLRIXJGLQ-GLQYFDAESA-N -1 3 368.271 3.675 50 0 FHAAHM O=S(=O)([N-]c1ccc2nc(-c3cccnc3)[nH]c2c1)c1ccc(F)cc1 ZINC000071279830 571063022 /nfs/dbraw/zinc/06/30/22/571063022.db2.gz PTBMQMRQYUTTIG-UHFFFAOYSA-N -1 3 368.393 3.565 50 0 FHAAHM C[C@@H]1CCC2=C(C1)[C@@]([O-])(C(F)(F)F)N(C(=O)c1ccc(Cl)cc1)N2 ZINC000245297623 571096703 /nfs/dbraw/zinc/09/67/03/571096703.db2.gz VHDNLZPAGIEZFC-MURWCNHISA-N -1 3 360.763 3.839 50 0 FHAAHM CC(C)n1[n-]c(=O)c2c1NC(=O)C[C@@H]2c1cccc(Br)c1 ZINC000071282280 571121180 /nfs/dbraw/zinc/12/11/80/571121180.db2.gz WWBZTRNYOGOCQK-LLVKDONJSA-N -1 3 350.216 3.643 50 0 FHAAHM CC(=O)c1sc2[n-]c(CN3CCC[C@H]3c3cccs3)nc(=O)c2c1C ZINC000058169308 571127039 /nfs/dbraw/zinc/12/70/39/571127039.db2.gz BGSOBLZCFQXNMO-LBPRGKRZSA-N -1 3 373.503 3.894 50 0 FHAAHM Cc1ccc2ncc(S(=O)(=O)c3cc(Cl)cc(Cl)c3)c([O-])c2c1 ZINC000015828802 571130008 /nfs/dbraw/zinc/13/00/08/571130008.db2.gz YSXUEDBOPXBBSK-UHFFFAOYSA-N -1 3 368.241 3.976 50 0 FHAAHM COc1ccc(OC)c(C(=O)CSc2n[n-]c(-c3cccs3)n2)c1 ZINC000012599388 571189092 /nfs/dbraw/zinc/18/90/92/571189092.db2.gz UFEMURLTOYNDSO-UHFFFAOYSA-N -1 3 361.448 3.525 50 0 FHAAHM CCN(CC)c1ccc(C(=O)Nc2ccc(NC(=O)OC)cc2)c([O-])c1 ZINC000054083937 571198940 /nfs/dbraw/zinc/19/89/40/571198940.db2.gz QXQIHDAXSWGTEI-UHFFFAOYSA-N -1 3 357.410 3.669 50 0 FHAAHM O=C([O-])[C@@H]1CN(Cc2cncn2C2CCCCC2)C[C@H]1c1ccc(F)cc1 ZINC000091595724 571241079 /nfs/dbraw/zinc/24/10/79/571241079.db2.gz RKDOVWLIRGKQGV-VQTJNVASSA-N -1 3 371.456 3.828 50 0 FHAAHM CCn1c2cc(C)ccc2c(CNCc2cccc(OC)c2)c1C(=O)[O-] ZINC000006795318 571246811 /nfs/dbraw/zinc/24/68/11/571246811.db2.gz NHQHWZGVEYNBQA-UHFFFAOYSA-N -1 3 352.434 3.966 50 0 FHAAHM Cc1noc(-c2ccc(S(=O)(=O)[N-]Cc3cccs3)s2)c1C ZINC000065031349 571250871 /nfs/dbraw/zinc/25/08/71/571250871.db2.gz CSTRUZQRTFMXND-UHFFFAOYSA-N -1 3 354.478 3.560 50 0 FHAAHM Cc1noc(-c2ccc(S(=O)(=O)[N-]C3CCC(C)CC3)s2)c1C ZINC000065031341 571250896 /nfs/dbraw/zinc/25/08/96/571250896.db2.gz VAXJKGKUOPRLJP-UHFFFAOYSA-N -1 3 354.497 3.877 50 0 FHAAHM CCN(CC)c1ccc(C(=O)N2CCc3[nH]c4ccccc4c3C2)c([O-])c1 ZINC000065043885 571251357 /nfs/dbraw/zinc/25/13/57/571251357.db2.gz VYMPQSJSSIJDFU-UHFFFAOYSA-N -1 3 363.461 3.918 50 0 FHAAHM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1cc(F)cc(Br)c1 ZINC000226346531 571277165 /nfs/dbraw/zinc/27/71/65/571277165.db2.gz GPGIQQHWVMEEET-CQDKDKBSSA-N -1 3 356.235 3.806 50 0 FHAAHM Cc1ccccc1NC1CCN(C(=O)c2cc(=O)c3ccccc3[n-]2)CC1 ZINC000253630181 571318908 /nfs/dbraw/zinc/31/89/08/571318908.db2.gz FSGUKKRXWJNROA-UHFFFAOYSA-N -1 3 361.445 3.966 50 0 FHAAHM CCc1c(OCCCCCC(C)(C)c2nnn[n-]2)cc(O)cc1C(C)=O ZINC000027644044 571319350 /nfs/dbraw/zinc/31/93/50/571319350.db2.gz VSDBVKWYFGKZPY-UHFFFAOYSA-N -1 3 360.458 3.587 50 0 in-vitro FHAAHM CCc1c(OCCCCCC(C)(C)c2nn[n-]n2)cc(O)cc1C(C)=O ZINC000027644044 571319351 /nfs/dbraw/zinc/31/93/51/571319351.db2.gz VSDBVKWYFGKZPY-UHFFFAOYSA-N -1 3 360.458 3.587 50 0 in-vitro FHAAHM COc1ccc(CC(=O)N2NC(CCC(C)C)=C[C@]2([O-])C(F)(F)F)cc1 ZINC000003905113 571353171 /nfs/dbraw/zinc/35/31/71/571353171.db2.gz ORYDRGSPBGYORR-KRWDZBQOSA-N -1 3 372.387 3.513 50 0 FHAAHM COc1cc(Cl)c(S(=O)(=O)[N-][C@H]2CCCC[C@H]2C)cc1Cl ZINC000001067753 219362793 /nfs/dbraw/zinc/36/27/93/219362793.db2.gz MTAXCWJKXXQESU-SKDRFNHKSA-N -1 3 352.283 3.859 50 0 FHAAHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1 ZINC000001058562 219360906 /nfs/dbraw/zinc/36/09/06/219360906.db2.gz ZPSXOHHFNASXIO-UHFFFAOYSA-N -1 3 359.234 3.617 50 0 FHAAHM COC(=O)[C@]([O-])(c1c2ccccc2n(C)c1-c1ccccc1)C(F)(F)F ZINC000002052707 209394180 /nfs/dbraw/zinc/39/41/80/209394180.db2.gz HNDDASPYCWSJAZ-GOSISDBHSA-N -1 3 363.335 3.768 50 0 FHAAHM O=C([O-])[C@@H]1Cc2c3ccccc3[nH]c2[C@H](c2ccc(Br)cc2)N1 ZINC000001510865 209392500 /nfs/dbraw/zinc/39/25/00/209392500.db2.gz FPBHUDMWBLCBLN-HOTGVXAUSA-N -1 3 371.234 3.619 50 0 biogenic FHAAHM Cc1ccccc1CN(Cc1ccccn1)C(=O)c1ccc2n[n-]nc2c1 ZINC000112288276 209333819 /nfs/dbraw/zinc/33/38/19/209333819.db2.gz OZYCMAZYBOPLME-UHFFFAOYSA-N -1 3 357.417 3.504 50 0 FHAAHM O=C(N[C@@H](c1ccccn1)C(F)(F)F)c1c[n-]c2c(F)cccc2c1=O ZINC000097468655 209182231 /nfs/dbraw/zinc/18/22/31/209182231.db2.gz LJUATMOHCREPGC-HNNXBMFYSA-N -1 3 365.286 3.508 50 0 FHAAHM C[C@@H](OC(=O)c1ccc([O-])cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000001178318 206864480 /nfs/dbraw/zinc/86/44/80/206864480.db2.gz GEKSBVWHFJDJQA-SECBINFHSA-N -1 3 354.189 3.883 50 0 FHAAHM O=c1c2ccccc2[n-]c(=S)n1C1CCN(Cc2ccccc2)CC1 ZINC000004846066 207054135 /nfs/dbraw/zinc/05/41/35/207054135.db2.gz OQRZZRXVTKYMIB-UHFFFAOYSA-N -1 3 351.475 3.896 50 0 FHAAHM CCS(=O)(=O)[N-]c1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000004842882 207054588 /nfs/dbraw/zinc/05/45/88/207054588.db2.gz DKJWCYCGFAKYKK-UHFFFAOYSA-N -1 3 372.368 3.719 50 0 FHAAHM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc(C(C)C)cc3)ccc21 ZINC000004884375 207058819 /nfs/dbraw/zinc/05/88/19/207058819.db2.gz ZMFRSAUGIPWUCA-UHFFFAOYSA-N -1 3 358.463 3.520 50 0 FHAAHM CSc1nnc(SCc2cc(=O)oc3c(C)c([O-])ccc23)s1 ZINC000005871879 207120157 /nfs/dbraw/zinc/12/01/57/207120157.db2.gz PORVOBSHQINIOD-UHFFFAOYSA-N -1 3 352.462 3.673 50 0 FHAAHM CCC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccc(CC)cc3)cc2C[C@@H]1C ZINC000006730053 207156802 /nfs/dbraw/zinc/15/68/02/207156802.db2.gz NXMQJQJZRZNEOY-AWEZNQCLSA-N -1 3 372.490 3.737 50 0 FHAAHM COc1ccc2c(CNCc3ccccc3Cl)c(C(=O)[O-])n(C)c2c1 ZINC000006794840 207166773 /nfs/dbraw/zinc/16/67/73/207166773.db2.gz SSKIUQDVYCFCBU-UHFFFAOYSA-N -1 3 358.825 3.828 50 0 FHAAHM COc1ccc2c(c1)[nH]c(C(=O)[O-])c2CNCc1ccc(OC(C)C)cc1 ZINC000006894416 207176242 /nfs/dbraw/zinc/17/62/42/207176242.db2.gz JPDBAHAULLSJDD-UHFFFAOYSA-N -1 3 368.433 3.952 50 0 FHAAHM CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3=O)cc2)cc1 ZINC000007612593 207198756 /nfs/dbraw/zinc/19/87/56/207198756.db2.gz LXUFPKCTSYTTHJ-UHFFFAOYSA-N -1 3 358.463 3.738 50 0 FHAAHM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc(N3CCCC3=O)cc2)c1C ZINC000007612580 207198912 /nfs/dbraw/zinc/19/89/12/207198912.db2.gz QZDNKDMMTXIGOY-UHFFFAOYSA-N -1 3 372.490 3.848 50 0 FHAAHM O=C(Nc1ccc(-c2cn3ccccc3n2)cc1)c1ccc2n[n-]nc2c1 ZINC000008725254 207245428 /nfs/dbraw/zinc/24/54/28/207245428.db2.gz CMFBNIRWMONUIW-UHFFFAOYSA-N -1 3 354.373 3.525 50 0 FHAAHM CCOc1cc(Cl)c(S(=O)(=O)[N-]Cc2ccccc2)cc1Cl ZINC000008714591 207243768 /nfs/dbraw/zinc/24/37/68/207243768.db2.gz KMTOOYXHVQCJHX-UHFFFAOYSA-N -1 3 360.262 3.871 50 0 FHAAHM CCn1c2cc(OC)ccc2c(CNCc2ccc(C)cc2)c1C(=O)[O-] ZINC000009532657 207275493 /nfs/dbraw/zinc/27/54/93/207275493.db2.gz IJHPYIRMDJBEKD-UHFFFAOYSA-N -1 3 352.434 3.966 50 0 FHAAHM CCc1ccc(NC(=O)Cc2nc(-c3ccc(O)cc3[O-])cs2)cc1 ZINC000009591359 207278806 /nfs/dbraw/zinc/27/88/06/207278806.db2.gz AVPBUSZNSDWBTR-UHFFFAOYSA-N -1 3 354.431 3.965 50 0 FHAAHM Cc1cc([N-]C(=O)[C@@H](C)OC(=O)Cc2ccc(-c3ccccc3)cc2)on1 ZINC000010999183 207308692 /nfs/dbraw/zinc/30/86/92/207308692.db2.gz UGKVAWFJIDCDRO-OAHLLOKOSA-N -1 3 364.401 3.763 50 0 FHAAHM COc1ccc2c(c1)CCc1cc(C(=O)Nc3ncccc3[O-])sc1-2 ZINC000022262626 207802213 /nfs/dbraw/zinc/80/22/13/207802213.db2.gz KCJYKKZPSBCTEU-UHFFFAOYSA-N -1 3 352.415 3.875 50 0 FHAAHM CCc1ccc([C@H](C)NC(=O)CSc2nnc(-c3ccco3)[n-]2)cc1 ZINC000032873573 208050752 /nfs/dbraw/zinc/05/07/52/208050752.db2.gz YFVNCSVXAWRRQL-LBPRGKRZSA-N -1 3 356.451 3.597 50 0 FHAAHM CCc1ccc([C@H](C)NC(=O)CSc2nc(-c3ccco3)n[n-]2)cc1 ZINC000032873573 208050755 /nfs/dbraw/zinc/05/07/55/208050755.db2.gz YFVNCSVXAWRRQL-LBPRGKRZSA-N -1 3 356.451 3.597 50 0 FHAAHM CCc1ccc([C@H](C)NC(=O)CSc2n[n-]c(-c3ccco3)n2)cc1 ZINC000032873573 208050759 /nfs/dbraw/zinc/05/07/59/208050759.db2.gz YFVNCSVXAWRRQL-LBPRGKRZSA-N -1 3 356.451 3.597 50 0 FHAAHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)-c2oncc2CO3)cc1C ZINC000033171232 208076133 /nfs/dbraw/zinc/07/61/33/208076133.db2.gz TZIKZPNZDDOTFH-UHFFFAOYSA-N -1 3 356.403 3.652 50 0 FHAAHM COCc1nnc([N-]C(=O)c2cc3c(s2)-c2ccccc2CC3)s1 ZINC000036360956 208160162 /nfs/dbraw/zinc/16/01/62/208160162.db2.gz UURGMDAFTAPSSC-UHFFFAOYSA-N -1 3 357.460 3.764 50 0 FHAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3cc(C)nc(C)n3)cc2)cc1 ZINC000040060511 208221264 /nfs/dbraw/zinc/22/12/64/208221264.db2.gz BCEGYDYHOHMTBD-UHFFFAOYSA-N -1 3 369.446 3.995 50 0 FHAAHM Cc1noc(C)c1CN1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000042743130 208296225 /nfs/dbraw/zinc/29/62/25/208296225.db2.gz IJYGRKSVZMRRQI-UHFFFAOYSA-N -1 3 363.845 3.501 50 0 FHAAHM CCSc1ccc([C@@H](C(=O)[O-])N2CCC(O)(c3ccccc3)CC2)cc1 ZINC000095384678 209041994 /nfs/dbraw/zinc/04/19/94/209041994.db2.gz FQHNKJHEAAZTAS-IBGZPJMESA-N -1 3 371.502 3.908 50 0 FHAAHM Cc1ccc([C@H](CNC(=O)c2ccc([O-])c(Cl)c2)N2CCCC2)cc1 ZINC000095392569 209047569 /nfs/dbraw/zinc/04/75/69/209047569.db2.gz UUQKHUDAISGMES-SFHVURJKSA-N -1 3 358.869 3.921 50 0 FHAAHM CCOc1ccc(-c2noc(CCC(=O)Nc3cccc([O-])c3F)n2)cc1 ZINC000095446725 209051597 /nfs/dbraw/zinc/05/15/97/209051597.db2.gz MEPXNONQAXHEEC-UHFFFAOYSA-N -1 3 371.368 3.551 50 0 FHAAHM O=C(c1ccc([O-])cc1)N1CCC(c2nccn2Cc2ccccc2)CC1 ZINC000082096882 526703908 /nfs/dbraw/zinc/70/39/08/526703908.db2.gz QDJKKZMUQSIHDF-UHFFFAOYSA-N -1 3 361.445 3.657 50 0 FHAAHM O=C(c1cccc([O-])c1)N1CCC[C@@H](c2nccn2Cc2ccccc2)C1 ZINC000082108169 526770435 /nfs/dbraw/zinc/77/04/35/526770435.db2.gz BXRMJQOICGOSOG-LJQANCHMSA-N -1 3 361.445 3.657 50 0 FHAAHM COc1ccc(C(=O)N2NC(C3CCCCC3)=C[C@]2([O-])C(F)(F)F)cc1 ZINC000000910622 570463687 /nfs/dbraw/zinc/46/36/87/570463687.db2.gz STVNJUQGTFNLIM-KRWDZBQOSA-N -1 3 370.371 3.728 50 0 FHAAHM CCOC(=O)c1cnc(SCC(=O)c2ccc(Cl)cc2Cl)[n-]1 ZINC000001038743 570474125 /nfs/dbraw/zinc/47/41/25/570474125.db2.gz ACEZJYWFUIVPKT-UHFFFAOYSA-N -1 3 359.234 3.868 50 0 FHAAHM O=C(CF)[N-][C@H](Nc1cccc(C(F)(F)F)c1)C(Cl)(Cl)Cl ZINC000002054615 570512259 /nfs/dbraw/zinc/51/22/59/570512259.db2.gz NQVXJSKTAQXBQQ-VIFPVBQESA-N -1 3 367.557 3.899 50 0 FHAAHM CCS(=O)(=O)[N-]c1c(C)nn(Cc2ccc(Cl)c(Cl)c2)c1C ZINC000014223241 570519962 /nfs/dbraw/zinc/51/99/62/570519962.db2.gz ICKCBPBJOYERTA-UHFFFAOYSA-N -1 3 362.282 3.617 50 0 FHAAHM CCCc1cc(C(=O)[N-]c2sc3c(c2C(=O)OCC)CCCC3)no1 ZINC000002498066 570522252 /nfs/dbraw/zinc/52/22/52/570522252.db2.gz LGXDYGODSUHMJM-UHFFFAOYSA-N -1 3 362.451 3.996 50 0 aggregator FHAAHM Cc1ccc(C(=O)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)c([O-])c1 ZINC000023529507 570540962 /nfs/dbraw/zinc/54/09/62/570540962.db2.gz WWQWNOBOYOQOJP-UHFFFAOYSA-N -1 3 367.232 3.718 50 0 FHAAHM O=C(CN1C(=O)c2ccccc2N[C@H]1c1ccccc1)Nc1ccccc1[O-] ZINC000061721003 570632426 /nfs/dbraw/zinc/63/24/26/570632426.db2.gz DUIKETJLVMGYDB-OAQYLSRUSA-N -1 3 373.412 3.597 50 0 FHAAHM O=C([N-]c1nnc(-c2cccs2)o1)c1ccc(Br)s1 ZINC000004330350 570702306 /nfs/dbraw/zinc/70/23/06/570702306.db2.gz SBCIHHICRHLREI-UHFFFAOYSA-N -1 3 356.226 3.874 50 0 FHAAHM Cc1nc(C)c(CC[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)s1 ZINC000004392311 570766947 /nfs/dbraw/zinc/76/69/47/570766947.db2.gz ACCMXJBCUBKSQQ-UHFFFAOYSA-N -1 3 365.307 3.588 50 0 FHAAHM Cc1nc(C)c(CCC(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)c(=O)[n-]1 ZINC000012984284 570770415 /nfs/dbraw/zinc/77/04/15/570770415.db2.gz ZGSQNQUZSDOYBB-VIFPVBQESA-N -1 3 368.264 3.504 50 0 FHAAHM CCS(=O)(=O)[N-]c1c(C)nn(Cc2ccc(Cl)cc2Cl)c1C ZINC000014223327 570813478 /nfs/dbraw/zinc/81/34/78/570813478.db2.gz HQRDFKVKHCFQAV-UHFFFAOYSA-N -1 3 362.282 3.617 50 0 FHAAHM Cc1cc([N-]C(=O)[C@H](C)OC(=O)c2csc(-c3ccc(C)cc3)n2)on1 ZINC000014572875 570819973 /nfs/dbraw/zinc/81/99/73/570819973.db2.gz VUCNNJFRYYBMDK-LBPRGKRZSA-N -1 3 371.418 3.599 50 0 FHAAHM CC(C)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc1 ZINC000016122126 570850618 /nfs/dbraw/zinc/85/06/18/570850618.db2.gz SFYSIZFXQRPSBJ-UHFFFAOYSA-N -1 3 358.463 3.571 50 0 FHAAHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(Cl)cc3F)c2)n1 ZINC000047317392 570885997 /nfs/dbraw/zinc/88/59/97/570885997.db2.gz RTBYQUHLKYROIA-UHFFFAOYSA-N -1 3 357.772 3.790 50 0 FHAAHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccc(OC(F)F)cc3)cc2)n1 ZINC000048354878 570950456 /nfs/dbraw/zinc/95/04/56/570950456.db2.gz JEQMXSHEQUJYEQ-UHFFFAOYSA-N -1 3 371.343 3.599 50 0 FHAAHM O=C([O-])c1cccc(-c2cn(C3CCN(Cc4cccs4)CC3)nn2)c1 ZINC000023379704 570962722 /nfs/dbraw/zinc/96/27/22/570962722.db2.gz FOLQELAJHONAQO-UHFFFAOYSA-N -1 3 368.462 3.542 50 0 FHAAHM Cc1cccc(NC(=O)c2cc(=O)c(OCc3ccccc3Cl)c[n-]2)n1 ZINC000049551452 570964155 /nfs/dbraw/zinc/96/41/55/570964155.db2.gz XGMRNTKSUSBURK-UHFFFAOYSA-N -1 3 369.808 3.563 50 0 FHAAHM Cc1ccccc1OCCN(C)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000029149634 571036823 /nfs/dbraw/zinc/03/68/23/571036823.db2.gz FLYOQQDGSFKZFT-UHFFFAOYSA-N -1 3 363.417 3.901 50 0 FHAAHM O=c1[n-]c(SCc2ccc(F)cc2)nc2c1cnn2-c1ccc(F)cc1 ZINC000008586399 571050971 /nfs/dbraw/zinc/05/09/71/571050971.db2.gz NSCIFUGELZRSPZ-UHFFFAOYSA-N -1 3 370.384 3.679 50 0 FHAAHM Cc1ccc(NCCC(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1Cl ZINC000016651823 571069821 /nfs/dbraw/zinc/06/98/21/571069821.db2.gz WSBCWHWERQMUSE-UHFFFAOYSA-N -1 3 366.870 3.705 50 0 FHAAHM CC(C)Cn1cncc1CN1CCC[C@@H](Cc2ccc(C(=O)[O-])cc2)C1 ZINC000072157254 571175402 /nfs/dbraw/zinc/17/54/02/571175402.db2.gz GKJOZCAKRHLWEN-SFHVURJKSA-N -1 3 355.482 3.692 50 0 FHAAHM Cc1nc(C2CCN(Cc3ccccc3C(F)(F)F)CC2)cc(=O)[n-]1 ZINC000072172749 571177718 /nfs/dbraw/zinc/17/77/18/571177718.db2.gz NNBGEFBUJWWCMY-UHFFFAOYSA-N -1 3 351.372 3.889 50 0 FHAAHM Cc1ccc(Sc2ccc(CN3CCc4[nH]cnc4[C@H]3C(=O)[O-])o2)cc1 ZINC000072423972 571193851 /nfs/dbraw/zinc/19/38/51/571193851.db2.gz XRCWPBWMZLLFRX-SFHVURJKSA-N -1 3 369.446 3.646 50 0 FHAAHM O=C(c1ccccc1-c1nnn[n-]1)N1CCCC[C@@H]1CCc1cccs1 ZINC000077406372 571210112 /nfs/dbraw/zinc/21/01/12/571210112.db2.gz CSJJLDSQLFLKTN-CQSZACIVSA-N -1 3 367.478 3.556 50 0 FHAAHM O=C(c1ccccc1-c1nn[n-]n1)N1CCCC[C@@H]1CCc1cccs1 ZINC000077406372 571210116 /nfs/dbraw/zinc/21/01/16/571210116.db2.gz CSJJLDSQLFLKTN-CQSZACIVSA-N -1 3 367.478 3.556 50 0 FHAAHM Cc1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)nn1 ZINC000082230628 571229739 /nfs/dbraw/zinc/22/97/39/571229739.db2.gz VKJYQUXPZGIKOU-UHFFFAOYSA-N -1 3 359.382 3.517 50 0 FHAAHM O=C(Nc1ccccc1[O-])/C(=C/c1cccs1)NC(=O)c1ccccc1 ZINC000033332341 571235736 /nfs/dbraw/zinc/23/57/36/571235736.db2.gz 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50 0 FHAAHM COc1cc(Cl)c(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2C)cc1Cl ZINC000001067750 219362446 /nfs/dbraw/zinc/36/24/46/219362446.db2.gz MTAXCWJKXXQESU-BXKDBHETSA-N -1 3 352.283 3.859 50 0 FHAAHM O=C(Nc1ccc(Oc2ccc3c(c2)C(=O)[N-]C3=O)cc1)c1cccs1 ZINC000001122703 219373599 /nfs/dbraw/zinc/37/35/99/219373599.db2.gz KALGAGKLTLMRNC-UHFFFAOYSA-N -1 3 364.382 3.676 50 0 FHAAHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3CC(C)C)cc1 ZINC000102733703 209241000 /nfs/dbraw/zinc/24/10/00/209241000.db2.gz ZUPSITHYXMCPQV-XUVXKRRUSA-N -1 3 364.445 3.720 50 0 FHAAHM CC1(C)CC(=O)C2C(=Nc3nonc3[N-][C@@H]2c2ccc3nccnc3c2)C1 ZINC000102752839 209241441 /nfs/dbraw/zinc/24/14/41/209241441.db2.gz LIAWXFQDQMAVOJ-MRXNPFEDSA-N -1 3 362.393 3.884 50 0 FHAAHM CC1=Nc2c(c(=O)[n-]n2[C@@H]2CCOC(C)(C)C2)[C@H](c2ccc(O)cc2)S1 ZINC000096117469 209114817 /nfs/dbraw/zinc/11/48/17/209114817.db2.gz OINHZXXIAXFGON-CJNGLKHVSA-N -1 3 373.478 3.898 50 0 FHAAHM O=C([O-])[C@@H]1Cc2c3ccccc3[nH]c2[C@H](c2cccc(C(F)(F)F)c2)N1 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351.428 3.853 50 0 FHAAHM CCCc1cc(=O)n2nc(NCc3c(Cl)cccc3Cl)[n-]c2n1 ZINC000008602301 207237742 /nfs/dbraw/zinc/23/77/42/207237742.db2.gz FHZOSYAJYRBVKM-UHFFFAOYSA-N -1 3 352.225 3.701 50 0 FHAAHM CC(C)n1cnnc1SCc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000009608359 207278213 /nfs/dbraw/zinc/27/82/13/207278213.db2.gz IUDXRYBUBPHNAG-UHFFFAOYSA-N -1 3 373.463 3.709 50 0 FHAAHM Cc1nc(-c2ccc(NC(=O)c3cccc(-c4nnn[n-]4)c3)cc2)cs1 ZINC000009596287 207278632 /nfs/dbraw/zinc/27/86/32/207278632.db2.gz XFFDOCNWRIINDX-UHFFFAOYSA-N -1 3 362.418 3.551 50 0 FHAAHM Cc1nc(-c2ccc(NC(=O)c3cccc(-c4nn[n-]n4)c3)cc2)cs1 ZINC000009596287 207278635 /nfs/dbraw/zinc/27/86/35/207278635.db2.gz XFFDOCNWRIINDX-UHFFFAOYSA-N -1 3 362.418 3.551 50 0 FHAAHM O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccc2n[n-]nc2c1 ZINC000009657591 207279842 /nfs/dbraw/zinc/27/98/42/207279842.db2.gz VCDORBSMKGTLCO-UHFFFAOYSA-N -1 3 355.810 3.987 50 0 FHAAHM CC[C@H](NC(=O)CCc1c(C)[nH]c(=S)[n-]c1=O)c1ccc(Cl)cc1 ZINC000010423803 207300308 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369.424 3.935 50 0 FHAAHM Cc1cc(C)cc([N-]S(=O)(=O)c2c(C)cc(N3CCCC3=O)cc2C)c1 ZINC000000643462 206820709 /nfs/dbraw/zinc/82/07/09/206820709.db2.gz RTGNHLMPKAHYLX-UHFFFAOYSA-N -1 3 372.490 3.848 50 0 FHAAHM Cc1c([O-])ccc2c(C)c(CC(=O)NCc3ccccc3Cl)c(=O)oc12 ZINC000004742753 207044957 /nfs/dbraw/zinc/04/49/57/207044957.db2.gz CDDJGTNBNUQEBU-UHFFFAOYSA-N -1 3 371.820 3.628 50 0 FHAAHM Cc1c([O-])ccc2c(C)c(CC(=O)NCc3cccc(Cl)c3)c(=O)oc12 ZINC000004742750 207045383 /nfs/dbraw/zinc/04/53/83/207045383.db2.gz PPOKLDMPLKJVNM-UHFFFAOYSA-N -1 3 371.820 3.628 50 0 FHAAHM O=C([O-])[C@@H](CC(=O)Nc1cccc(Cl)c1Cl)NCc1ccccc1 ZINC000005041356 207075233 /nfs/dbraw/zinc/07/52/33/207075233.db2.gz WLPLXLGSSQGVMW-CQSZACIVSA-N -1 3 367.232 3.565 50 0 FHAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C3CCCC3)cc2)cc1 ZINC000005392723 207098679 /nfs/dbraw/zinc/09/86/79/207098679.db2.gz PSZRHDJCVLFZBE-UHFFFAOYSA-N -1 3 358.463 3.925 50 0 FHAAHM CCc1ccc(-n2c(Cn3nc(C(F)(F)F)cc3C)n[n-]c2=S)cc1 ZINC000005422096 207099400 /nfs/dbraw/zinc/09/94/00/207099400.db2.gz MMDRUAYDQKRTRA-UHFFFAOYSA-N -1 3 367.400 3.690 50 0 FHAAHM CCC(CC)n1[n-]c(=O)c2c1NC(=O)CS[C@@H]2c1ccccc1OC ZINC000005642677 207111021 /nfs/dbraw/zinc/11/10/21/207111021.db2.gz HDHQIQYHDQAJRS-MRXNPFEDSA-N -1 3 361.467 3.733 50 0 FHAAHM CCCCn1c(=O)[n-]c(=O)c2c(C(F)(F)F)cc(-c3cccs3)nc21 ZINC000006935400 207178827 /nfs/dbraw/zinc/17/88/27/207178827.db2.gz HRTSSALBIJVUOA-UHFFFAOYSA-N -1 3 369.368 3.632 50 0 FHAAHM COc1ccc(Br)cc1CN(C)C(=O)c1cc(C)ccc1[O-] ZINC000006993544 207183211 /nfs/dbraw/zinc/18/32/11/207183211.db2.gz KWKCASJYOWRXDY-UHFFFAOYSA-N -1 3 364.239 3.744 50 0 FHAAHM Cc1ccc(CNC(=O)[C@@H](C)Sc2n[n-]c(-c3cccs3)n2)cc1 ZINC000008704556 207241562 /nfs/dbraw/zinc/24/15/62/207241562.db2.gz UQQJXEJQTUFMGX-GFCCVEGCSA-N -1 3 358.492 3.639 50 0 FHAAHM COc1ccc(-c2cc([N-]C(=O)COc3cccc(C)c3C)on2)cc1 ZINC000009304874 207264894 /nfs/dbraw/zinc/26/48/94/207264894.db2.gz XYKTYDLPZIEABV-UHFFFAOYSA-N -1 3 352.390 3.985 50 0 FHAAHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)cc2)cc1 ZINC000010112660 207294786 /nfs/dbraw/zinc/29/47/86/207294786.db2.gz QBECRPQQJXLTAK-UHFFFAOYSA-N -1 3 374.462 3.767 50 0 FHAAHM Cc1[nH]c(=S)[n-]c(=O)c1CCC(=O)N[C@@H](CC(C)C)c1ccccc1 ZINC000011237593 207311653 /nfs/dbraw/zinc/31/16/53/207311653.db2.gz BFOWDZLTSISRTH-INIZCTEOSA-N -1 3 359.495 3.577 50 0 FHAAHM Cc1cc(C)c2c(=O)[n-]c(SCC(=O)c3c[nH]c4ccccc43)nc2n1 ZINC000011847542 207326421 /nfs/dbraw/zinc/32/64/21/207326421.db2.gz XQEJWAOAIQSGRY-UHFFFAOYSA-N -1 3 364.430 3.804 50 0 FHAAHM CC(=O)c1cccc(NC(=O)c2cc(=O)c(OCc3ccccc3)c[n-]2)c1 ZINC000012168410 207345126 /nfs/dbraw/zinc/34/51/26/207345126.db2.gz PCKYEEQBSKRLQM-UHFFFAOYSA-N -1 3 362.385 3.821 50 0 FHAAHM O=C1[N-]C(=O)/C(=C/c2ccc(-n3cnc4ccccc43)cc2)c2ccccc21 ZINC000032820141 208047432 /nfs/dbraw/zinc/04/74/32/208047432.db2.gz NYHGIKBQJNNZAC-CPNJWEJPSA-N -1 3 365.392 3.836 50 0 FHAAHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc3c(c2)-c2oncc2CO3)c1 ZINC000033171227 208075692 /nfs/dbraw/zinc/07/56/92/208075692.db2.gz HVHVSEPNCZXZKA-UHFFFAOYSA-N -1 3 356.403 3.652 50 0 FHAAHM COc1ccc(C(=O)N2CC=C(c3c[nH]c4cc(F)ccc43)CC2)c([O-])c1 ZINC000047294535 208376383 /nfs/dbraw/zinc/37/63/83/208376383.db2.gz DASUZTJZWAULDH-UHFFFAOYSA-N -1 3 366.392 3.951 50 0 FHAAHM Cc1ccc([O-])c(C(=O)N2C[C@H]3CC[C@@H]2CN(Cc2ccc(F)cc2)C3)c1 ZINC000095392375 209048177 /nfs/dbraw/zinc/04/81/77/209048177.db2.gz KYLGKVDTWMPNRI-PKOBYXMFSA-N -1 3 368.452 3.576 50 0 FHAAHM CCc1nnc([N-]C(=O)c2sc(Cc3ccc(F)cc3)nc2C)s1 ZINC000095949111 209087933 /nfs/dbraw/zinc/08/79/33/209087933.db2.gz PRNKSHXBLUAJJO-UHFFFAOYSA-N -1 3 362.455 3.848 50 0 FHAAHM CCN1c2ccc([N-]S(=O)(=O)c3c(C)cc(C)cc3C)cc2CCC1=O ZINC000017289147 132884901 /nfs/dbraw/zinc/88/49/01/132884901.db2.gz QPEWKWUAWHDKNO-UHFFFAOYSA-N -1 3 372.490 3.712 50 0 FHAAHM O=C(N[C@H](c1ccccn1)C(F)(F)F)c1c[n-]c2c(F)cccc2c1=O ZINC000097468657 222183296 /nfs/dbraw/zinc/18/32/96/222183296.db2.gz LJUATMOHCREPGC-OAHLLOKOSA-N -1 3 365.286 3.508 50 0 FHAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2C)cc1 ZINC000000634218 570441546 /nfs/dbraw/zinc/44/15/46/570441546.db2.gz VKEUKQXRNCGHDI-UHFFFAOYSA-N -1 3 356.241 3.567 50 0 FHAAHM O=C(CCCc1ccccc1)N1NC2=C(CCCC2)[C@]1([O-])C(F)(F)F ZINC000001212319 570493158 /nfs/dbraw/zinc/49/31/58/570493158.db2.gz YHFVRAOXHJFOJX-PBHICJAKSA-N -1 3 354.372 3.649 50 0 FHAAHM O=C([N-]n1c(=O)c2ccccc2nc1-c1ccccc1)c1cccc(F)c1 ZINC000002308299 570518821 /nfs/dbraw/zinc/51/88/21/570518821.db2.gz KUTKIAUFLPAABT-UHFFFAOYSA-N -1 3 359.360 3.587 50 0 FHAAHM COc1ccc(N[C@H](C)c2ccc(Cl)cc2)cc1[N-]S(C)(=O)=O ZINC000078671635 570525109 /nfs/dbraw/zinc/52/51/09/570525109.db2.gz MUUJEFAMBPFVFB-LLVKDONJSA-N -1 3 354.859 3.893 50 0 FHAAHM CCC(=O)N1CCCc2cc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)ccc21 ZINC000004885041 570554017 /nfs/dbraw/zinc/55/40/17/570554017.db2.gz AKCJSSQUINKEPL-UHFFFAOYSA-N -1 3 372.490 3.793 50 0 FHAAHM O=C(Nc1ncc(Cc2cccc(Cl)c2)s1)c1ccc2n[n-]nc2c1 ZINC000012016516 570604004 /nfs/dbraw/zinc/60/40/04/570604004.db2.gz JHWFYPSWDKWHRY-UHFFFAOYSA-N -1 3 369.837 3.911 50 0 FHAAHM Cc1noc([C@@H]2CCCN2C(=O)c2ccc(-c3cccc(F)c3[O-])cc2)n1 ZINC000426602541 570617904 /nfs/dbraw/zinc/61/79/04/570617904.db2.gz QXGJIDUXNVVGGT-KRWDZBQOSA-N -1 3 367.380 3.867 50 0 FHAAHM O=C(Nc1nccs1)c1cc(=O)c(OCc2ccc(Cl)cc2)c[n-]1 ZINC000061719528 570632472 /nfs/dbraw/zinc/63/24/72/570632472.db2.gz ZBMFGZGTXDEFRZ-UHFFFAOYSA-N -1 3 361.810 3.728 50 0 FHAAHM Cc1ccc(SCc2cc(=O)[n-]c(N3CCc4ccccc4C3)n2)cc1 ZINC000009087111 570691436 /nfs/dbraw/zinc/69/14/36/570691436.db2.gz RQICZAWLZUBQIO-UHFFFAOYSA-N -1 3 363.486 3.933 50 0 FHAAHM CCc1ccc([N-]S(=O)(=O)c2ccc(OC)c(Br)c2)cc1 ZINC000001139273 570763761 /nfs/dbraw/zinc/76/37/61/570763761.db2.gz SNUNLLAVZOEEOF-UHFFFAOYSA-N -1 3 370.268 3.821 50 0 FHAAHM COc1ccc(C)cc1NC(=O)[C@@H](C)Sc1n[n-]c(-c2cccs2)n1 ZINC000014122713 570806993 /nfs/dbraw/zinc/80/69/93/570806993.db2.gz YSRONWHZKSINHO-LLVKDONJSA-N -1 3 374.491 3.970 50 0 FHAAHM O=C1Nc2ccccc2C1(c1ccc([O-])c(F)c1)c1ccc(O)c(F)c1 ZINC000015017005 570829690 /nfs/dbraw/zinc/82/96/90/570829690.db2.gz UDUWVSAYUKWTSI-UHFFFAOYSA-N -1 3 353.324 3.663 50 0 FHAAHM Cc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccco1 ZINC000102761325 570838181 /nfs/dbraw/zinc/83/81/81/570838181.db2.gz GDRZUJHCHDPAKO-HSALFYBXSA-N -1 3 374.396 3.639 50 0 FHAAHM CCCCNC(=O)N([O-])[C@@H]1N(CCCC)C(=O)N(C2CCCC2)C1(C)C ZINC000005249350 570975830 /nfs/dbraw/zinc/97/58/30/570975830.db2.gz IHXYKFLAUYPIGB-INIZCTEOSA-N -1 3 368.522 3.772 50 0 FHAAHM C[C@@H](OC(=O)c1cc([O-])ccc1C(F)(F)F)C(=O)Nc1ccccc1 ZINC000225841043 571073118 /nfs/dbraw/zinc/07/31/18/571073118.db2.gz YASNDQAFPLNMDQ-SNVBAGLBSA-N -1 3 353.296 3.595 50 0 FHAAHM O=C1CCSc2ccc(S(=O)(=O)[N-]c3ccccc3Cl)cc2N1 ZINC000015728434 571111218 /nfs/dbraw/zinc/11/12/18/571111218.db2.gz YKMDQRUQAXZDSR-UHFFFAOYSA-N -1 3 368.867 3.575 50 0 FHAAHM CC[C@@H](CO)N(Cc1cccs1)Cc1ccc(OC)c([O-])c1Cl ZINC000055392793 571120286 /nfs/dbraw/zinc/12/02/86/571120286.db2.gz OZDCXVAGTNIWPC-ZDUSSCGKSA-N -1 3 355.887 3.889 50 0 FHAAHM Cc1sc2[n-]c([C@H](C)OC(=O)C=C(C3CC3)C3CC3)nc(=O)c2c1C ZINC000052151308 571140702 /nfs/dbraw/zinc/14/07/02/571140702.db2.gz QJUNSYRQMNCTBK-JTQLQIEISA-N -1 3 358.463 3.952 50 0 FHAAHM O=C(NCc1cccnc1Oc1ccc(F)c(F)c1)c1ccccc1[O-] ZINC000067541543 571147254 /nfs/dbraw/zinc/14/72/54/571147254.db2.gz UELJCMOIRXEOTH-UHFFFAOYSA-N -1 3 356.328 3.788 50 0 FHAAHM Cc1cccc(C(=O)NCc2cccnc2Oc2ccccc2F)c1[O-] ZINC000067934971 571152086 /nfs/dbraw/zinc/15/20/86/571152086.db2.gz YVMIZNGGMZTBCZ-UHFFFAOYSA-N -1 3 352.365 3.957 50 0 FHAAHM O=C(c1c([O-])cccc1O)N1CCC[C@@H](CCc2ccc(F)c(F)c2)C1 ZINC000071750531 571165012 /nfs/dbraw/zinc/16/50/12/571165012.db2.gz MDLGEKUMXXXUPL-AWEZNQCLSA-N -1 3 361.388 3.861 50 0 FHAAHM O=C(c1c([O-])cccc1O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000071752047 571165029 /nfs/dbraw/zinc/16/50/29/571165029.db2.gz NBWAGKAUMOHWTC-OAHLLOKOSA-N -1 3 368.216 3.618 50 0 FHAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2C)cc1Br ZINC000006542726 571208516 /nfs/dbraw/zinc/20/85/16/571208516.db2.gz BGFZAAHEJGJLAL-UHFFFAOYSA-N -1 3 374.231 3.706 50 0 FHAAHM Cc1cc2c(cc1S(=O)(=O)[N-]c1cccc(Cl)c1C)OCCN2C ZINC000006792550 571246728 /nfs/dbraw/zinc/24/67/28/571246728.db2.gz IXARLWZKTDNIPA-UHFFFAOYSA-N -1 3 366.870 3.586 50 0 FHAAHM C[C@H](CNC(=O)[C@H](C)OC(=O)c1ccc(Cl)cc1[O-])c1ccccc1 ZINC000007199494 571263042 /nfs/dbraw/zinc/26/30/42/571263042.db2.gz CLJYPJFVHUJQBL-OLZOCXBDSA-N -1 3 361.825 3.511 50 0 FHAAHM CC[C@@H](C)CN(C)C(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000170594493 571266215 /nfs/dbraw/zinc/26/62/15/571266215.db2.gz OXEQPHAOKGQLLO-SNVBAGLBSA-N -1 3 351.244 3.821 50 0 FHAAHM O=C([O-])CCCCCCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000170612906 571267892 /nfs/dbraw/zinc/26/78/92/571267892.db2.gz RETJTOKPCFAXSX-UHFFFAOYSA-N -1 3 363.439 3.843 50 0 FHAAHM O=C(Nc1cccc(C(F)(F)F)c1)Nc1cc(F)ccc1-c1nnn[n-]1 ZINC000170620139 571268809 /nfs/dbraw/zinc/26/88/09/571268809.db2.gz AHMJCUBZMBTWPP-UHFFFAOYSA-N -1 3 366.278 3.669 50 0 FHAAHM O=C(Nc1cccc(C(F)(F)F)c1)Nc1cc(F)ccc1-c1nn[n-]n1 ZINC000170620139 571268811 /nfs/dbraw/zinc/26/88/11/571268811.db2.gz AHMJCUBZMBTWPP-UHFFFAOYSA-N -1 3 366.278 3.669 50 0 FHAAHM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1ccc(Br)c(F)c1 ZINC000225612059 571277101 /nfs/dbraw/zinc/27/71/01/571277101.db2.gz UJXXUTCNKOJRIE-UGFHNGPFSA-N -1 3 356.235 3.806 50 0 FHAAHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2F)cc1OCC ZINC000007927757 571294538 /nfs/dbraw/zinc/29/45/38/571294538.db2.gz QJHUDWBLVBMQHU-UHFFFAOYSA-N -1 3 357.378 3.563 50 0 FHAAHM O=C1O[C@H]([N-]c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(Cl)=C1Cl ZINC000048552379 571309051 /nfs/dbraw/zinc/30/90/51/571309051.db2.gz BSZVPNNTDWPWED-VIFPVBQESA-N -1 3 357.071 3.598 50 0 FHAAHM O=C([N-]c1cc(Br)cnc1Cl)c1scnc1Cl ZINC000253420431 571312878 /nfs/dbraw/zinc/31/28/78/571312878.db2.gz JBPXOYRVQLQWQX-UHFFFAOYSA-N -1 3 353.028 3.860 50 0 FHAAHM CC(C)n1[n-]c(=O)c2c1NC(=O)CS[C@H]2c1c[nH]nc1-c1ccccc1 ZINC000079484379 571327589 /nfs/dbraw/zinc/32/75/89/571327589.db2.gz CJCIAXZZJSRDAY-INIZCTEOSA-N -1 3 369.450 3.984 50 0 FHAAHM O=C([N-]c1nnc(-c2ccc3c(c2)CCCC3)o1)c1cnc2ccccc2n1 ZINC000056906044 571342251 /nfs/dbraw/zinc/34/22/51/571342251.db2.gz QIFXSYINJFGCQO-UHFFFAOYSA-N -1 3 371.400 3.811 50 0 FHAAHM CCc1cc2c(CN(CCOC)Cc3ccccc3)cc(=O)oc2cc1[O-] ZINC000057435072 571343390 /nfs/dbraw/zinc/34/33/90/571343390.db2.gz FJNVOTDASCLYFY-UHFFFAOYSA-N -1 3 367.445 3.710 50 0 FHAAHM O=C(COC(=O)c1ccc([O-])cc1)Nc1ccc(Oc2ccccc2)cc1 ZINC000003271654 571346476 /nfs/dbraw/zinc/34/64/76/571346476.db2.gz NYIFJYYSBKPMGA-UHFFFAOYSA-N -1 3 363.369 3.980 50 0 FHAAHM C[C@@H](OC(=O)c1ccc(Cl)cc1[O-])C(=O)NCCC1=CCCCC1 ZINC000003408175 571349189 /nfs/dbraw/zinc/34/91/89/571349189.db2.gz XMJXXJMKWLHVRX-GFCCVEGCSA-N -1 3 351.830 3.598 50 0 FHAAHM Cc1nc(COc2ccc(C=Cc3nc4c(c(=O)[n-]3)CCCC4)cc2)no1 ZINC000606443824 938997700 /nfs/dbraw/zinc/99/77/00/938997700.db2.gz KSQVVSBPKHFHEU-FLIBITNWSA-N -1 3 364.405 3.502 50 0 FHAAHM O=C(c1ccc(Cl)cc1)N1NC2=C(CCCCC2)[C@]1([O-])C(F)(F)F ZINC000000706721 210263551 /nfs/dbraw/zinc/26/35/51/210263551.db2.gz PZAQDYRVAPYLOS-DOMZBBRYSA-N -1 3 360.763 3.983 50 0 FHAAHM COc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1OC ZINC000000656993 210258014 /nfs/dbraw/zinc/25/80/14/210258014.db2.gz DUBFURZBBCTIOR-UHFFFAOYSA-N -1 3 362.234 3.811 50 0 FHAAHM CCOC(=O)c1sc2[n-]c(Cc3ccc(Cl)cc3)nc(=O)c2c1C ZINC000000634211 210255347 /nfs/dbraw/zinc/25/53/47/210255347.db2.gz ZBZNPOOAAQJFDM-UHFFFAOYSA-N -1 3 362.838 3.714 50 0 FHAAHM COc1ccc(Br)cc1CN1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000294287237 210101574 /nfs/dbraw/zinc/10/15/74/210101574.db2.gz UUZYADLRIXJGLQ-DFBGVHRSSA-N -1 3 368.271 3.675 50 0 FHAAHM CSc1ccc(NC(=O)N2CCC[C@H](c3cc(=O)[n-]c(C)n3)C2)cc1 ZINC000299768284 210017429 /nfs/dbraw/zinc/01/74/29/210017429.db2.gz LQNYCWJSWZWXTK-ZDUSSCGKSA-N -1 3 358.467 3.624 50 0 FHAAHM COc1ccc(/C=C2\SC(=O)N(c3ccc([O-])cc3)C2=O)c(OC)c1 ZINC000013786904 220094511 /nfs/dbraw/zinc/09/45/11/220094511.db2.gz GISLDFRTPFYHND-SXGWCWSVSA-N -1 3 357.387 3.650 50 0 FHAAHM 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COc1ccc(OC)c(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)c1 ZINC000001111838 210318443 /nfs/dbraw/zinc/31/84/43/210318443.db2.gz AOBQMGIILLCUKU-UHFFFAOYSA-N -1 3 362.234 3.811 50 0 FHAAHM O=c1nc(-c2coc3ccccc3c2=O)[n-]c2sc3c(c21)CCCC3 ZINC000001076012 210312745 /nfs/dbraw/zinc/31/27/45/210312745.db2.gz KFDWAGUUGLFHSD-UHFFFAOYSA-N -1 3 350.399 3.637 50 0 FHAAHM O=C(Nc1nc(-c2ccc[nH]2)cs1)c1c[n-]nc1-c1ccc(F)cc1 ZINC000021448750 220358496 /nfs/dbraw/zinc/35/84/96/220358496.db2.gz RFLPTEJSNIYGCB-UHFFFAOYSA-N -1 3 353.382 3.920 50 0 FHAAHM Cc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)Nc1ccccc1[O-] ZINC000022024249 220374343 /nfs/dbraw/zinc/37/43/43/220374343.db2.gz NCMRNNXJCRKXBI-UHFFFAOYSA-N -1 3 352.438 3.906 50 0 FHAAHM CCOc1cccc2cc(C(=O)[N-]c3nnc(-c4csc(C)n4)o3)oc21 ZINC000049029270 221016482 /nfs/dbraw/zinc/01/64/82/221016482.db2.gz BCMNMZHNSYAHPG-UHFFFAOYSA-N -1 3 370.390 3.899 50 0 FHAAHM CCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)CN3C(C)=O)cc1 ZINC000065020807 221163873 /nfs/dbraw/zinc/16/38/73/221163873.db2.gz 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Cc1ccc(C(=O)N2NC3=C(CCCC3)[C@@]2([O-])C(F)(F)F)cc1Cl ZINC000004199267 571356826 /nfs/dbraw/zinc/35/68/26/571356826.db2.gz UDAUADKJEUEBMD-XHDPSFHLSA-N -1 3 360.763 3.901 50 0 FHAAHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1 ZINC000000854675 219331998 /nfs/dbraw/zinc/33/19/98/219331998.db2.gz ZSJQTBHPNGGCPM-UHFFFAOYSA-N -1 3 359.234 3.753 50 0 FHAAHM COc1ccc(C(=O)N2NC(C3CCCCC3)=C[C@@]2([O-])C(F)(F)F)cc1 ZINC000000910624 219340540 /nfs/dbraw/zinc/34/05/40/219340540.db2.gz STVNJUQGTFNLIM-QGZVFWFLSA-N -1 3 370.371 3.728 50 0 FHAAHM CCOC(=O)c1c(C)c(C(C)=O)sc1[N-]C(=O)c1c(F)cccc1F ZINC000001054404 219359704 /nfs/dbraw/zinc/35/97/04/219359704.db2.gz XJPLQQMTXYHXSM-UHFFFAOYSA-N -1 3 367.373 3.966 50 0 FHAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(Cc3ccncc3)cc2)cc1C ZINC000001076459 219365224 /nfs/dbraw/zinc/36/52/24/219365224.db2.gz LYDYWZOPPDRVBM-UHFFFAOYSA-N -1 3 368.458 3.790 50 0 FHAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccco3)cc2)c(C)c1 ZINC000001155058 219382538 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Cc1ccc(NC(=O)CN2C(=S)N=NC2c2ccc(Cl)cc2)c([O-])c1 ZINC000012784526 220028946 /nfs/dbraw/zinc/02/89/46/220028946.db2.gz LRXONZAHJOOUSB-UHFFFAOYSA-N -1 3 374.853 3.540 50 0 FHAAHM CCn1c(SCC(=O)Nc2ccccc2C)nnc1-c1ccccc1[O-] ZINC000013124593 220058506 /nfs/dbraw/zinc/05/85/06/220058506.db2.gz XLDRCIRQXNSSNY-UHFFFAOYSA-N -1 3 368.462 3.710 50 0 FHAAHM Cc1nc(-c2cccc(NC(=O)c3ccc(-c4nnn[n-]4)cc3)c2)cs1 ZINC000014077393 220103918 /nfs/dbraw/zinc/10/39/18/220103918.db2.gz YKPJXPZVZUNNCA-UHFFFAOYSA-N -1 3 362.418 3.551 50 0 FHAAHM Cc1nc(-c2cccc(NC(=O)c3ccc(-c4nn[n-]n4)cc3)c2)cs1 ZINC000014077393 220103920 /nfs/dbraw/zinc/10/39/20/220103920.db2.gz YKPJXPZVZUNNCA-UHFFFAOYSA-N -1 3 362.418 3.551 50 0 FHAAHM CCCn1c(=O)[n-]nc1SCc1cc(-c2ccc(Cl)cc2)no1 ZINC000014120046 220107606 /nfs/dbraw/zinc/10/76/06/220107606.db2.gz VLNFJPZXCJWFHG-UHFFFAOYSA-N -1 3 350.831 3.994 50 0 FHAAHM C[C@H]1CN(Cn2nc(-c3ccc(Cl)cc3Cl)[n-]c2=S)CCO1 ZINC000014137965 220109648 /nfs/dbraw/zinc/10/96/48/220109648.db2.gz KXHMFSWVAXQXIL-VIFPVBQESA-N -1 3 359.282 3.593 50 0 FHAAHM CN(Cc1cnn(-c2ccccc2)c1)Cn1[n-]c(C(C)(C)C)nc1=S ZINC000014160768 220110384 /nfs/dbraw/zinc/11/03/84/220110384.db2.gz AJTMRISMWNQXPV-UHFFFAOYSA-N -1 3 356.499 3.513 50 0 FHAAHM COc1cccc(CN(C)Cn2nc(-c3ccccc3)[n-]c2=S)c1OC ZINC000014201143 220116895 /nfs/dbraw/zinc/11/68/95/220116895.db2.gz ZVBQXNQYZQWUGJ-UHFFFAOYSA-N -1 3 370.478 3.714 50 0 FHAAHM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(N(C)C(C)=O)cc2)cc1 ZINC000014257255 220120964 /nfs/dbraw/zinc/12/09/64/220120964.db2.gz ARSHPZJBECBUHM-CQSZACIVSA-N -1 3 360.479 3.984 50 0 FHAAHM [O-]c1ccccc1C1N=NC(=S)N1c1ccc(OC(F)(F)F)cc1 ZINC000020745086 220340373 /nfs/dbraw/zinc/34/03/73/220340373.db2.gz CKVAYFDPBFGHDW-UHFFFAOYSA-N -1 3 353.325 3.827 50 0 FHAAHM Cc1noc2nc(C3CC3)cc(C(=O)[N-]c3nnc(CC(C)C)s3)c12 ZINC000021996853 220372844 /nfs/dbraw/zinc/37/28/44/220372844.db2.gz AZKMBHWWWBVUQO-UHFFFAOYSA-N -1 3 357.439 3.711 50 0 FHAAHM Cc1nc(-c2cc(S(=O)(=O)[N-]c3ccccc3Cl)c(C)s2)no1 ZINC000035539189 220789160 /nfs/dbraw/zinc/78/91/60/220789160.db2.gz XOSXUYPJTSPUPY-UHFFFAOYSA-N -1 3 369.855 3.869 50 0 FHAAHM CCc1ccc(CN(C)Cc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)cc1 ZINC000048274805 221004460 /nfs/dbraw/zinc/00/44/60/221004460.db2.gz DEFIIIQDOPNIDY-UHFFFAOYSA-N -1 3 373.460 3.716 50 0 FHAAHM Cc1sc2[n-]c([C@@H](C)OC(=O)C=C(C3CC3)C3CC3)nc(=O)c2c1C ZINC000052151304 221036748 /nfs/dbraw/zinc/03/67/48/221036748.db2.gz QJUNSYRQMNCTBK-SNVBAGLBSA-N -1 3 358.463 3.952 50 0 FHAAHM Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc(Cl)s2)c([O-])c1 ZINC000055141212 221060122 /nfs/dbraw/zinc/06/01/22/221060122.db2.gz HYFRUNJCOYJGHT-LBPRGKRZSA-N -1 3 364.854 3.659 50 0 FHAAHM CO[N-]C(=O)/C=C\c1c(C)nn(Cc2ccc(Cl)cc2Cl)c1Cl ZINC000053720486 221048238 /nfs/dbraw/zinc/04/82/38/221048238.db2.gz CXFYPZFRQKLLFQ-WAYWQWQTSA-N -1 3 374.655 3.891 50 0 FHAAHM CN(Cc1ccco1)Cc1nc(=O)c2cc(-c3ccccc3)sc2[n-]1 ZINC000057327253 221086661 /nfs/dbraw/zinc/08/66/61/221086661.db2.gz NNCCEZLNYVICAT-UHFFFAOYSA-N -1 3 351.431 3.877 50 0 FHAAHM COc1cc(CN(CCO)Cc2ccc(SC)cc2)cc(Cl)c1[O-] ZINC000055384167 221068462 /nfs/dbraw/zinc/06/84/62/221068462.db2.gz VOMMBSYJKOCWGF-UHFFFAOYSA-N -1 3 367.898 3.771 50 0 FHAAHM CC(C)c1nnc(SCc2noc(-c3ccccc3[O-])n2)n1C1CC1 ZINC000058202781 221106158 /nfs/dbraw/zinc/10/61/58/221106158.db2.gz XGOKXTPPDFJSSR-UHFFFAOYSA-N -1 3 357.439 3.784 50 0 FHAAHM CC(C)c1nnc(NC(=O)c2cc(=O)c(OCc3ccccc3)c[n-]2)s1 ZINC000061718963 221134897 /nfs/dbraw/zinc/13/48/97/221134897.db2.gz AYLWQCFIXSTKDD-UHFFFAOYSA-N -1 3 370.434 3.593 50 0 FHAAHM O=S(=O)([N-]C1(c2ccc(Cl)cc2)CCC1)c1cc(F)cc(F)c1 ZINC000058356786 221115460 /nfs/dbraw/zinc/11/54/60/221115460.db2.gz LFCGEPKXRZGDJA-UHFFFAOYSA-N -1 3 357.809 3.976 50 0 FHAAHM Cc1ccc(NC(=O)CCCc2nc(-c3ccc(F)cc3)no2)c([O-])c1 ZINC000058818933 221123007 /nfs/dbraw/zinc/12/30/07/221123007.db2.gz CNRYUUJTZOPLOJ-UHFFFAOYSA-N -1 3 355.369 3.851 50 0 FHAAHM COc1cc(C(=O)N2CCC[C@]3(C=Cc4ccccc4O3)CC2)ccc1[O-] ZINC000065394156 221210316 /nfs/dbraw/zinc/21/03/16/221210316.db2.gz LJIMTACFIMEWCD-QFIPXVFZSA-N -1 3 365.429 3.872 50 0 FHAAHM Cc1cc(C(=O)NCc2cccnc2Oc2ccccc2F)ccc1[O-] ZINC000067851844 221295103 /nfs/dbraw/zinc/29/51/03/221295103.db2.gz LLDJPBRGGNZADS-UHFFFAOYSA-N -1 3 352.365 3.957 50 0 FHAAHM O=S(=O)([N-]C[C@@H](O)c1cccc2ccccc21)c1ccc(Cl)s1 ZINC000070636111 221332701 /nfs/dbraw/zinc/33/27/01/221332701.db2.gz NBKMGBYULLXNEL-CQSZACIVSA-N -1 3 367.879 3.567 50 0 FHAAHM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc2c(cc1C)N(C)CCO2 ZINC000006792054 132835358 /nfs/dbraw/zinc/83/53/58/132835358.db2.gz KNPJIOKUSBRUJM-UHFFFAOYSA-N -1 3 366.870 3.586 50 0 FHAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3CC(C)C)cc1 ZINC000008840834 132844036 /nfs/dbraw/zinc/84/40/36/132844036.db2.gz OJXITRGUAJQZFC-UHFFFAOYSA-N -1 3 372.490 3.731 50 0 FHAAHM COCCN1CCCc2ccc([N-]S(=O)(=O)c3cc(C)ccc3C)cc21 ZINC000035588249 136118266 /nfs/dbraw/zinc/11/82/66/136118266.db2.gz JOPSVPVKJJBREU-UHFFFAOYSA-N -1 3 374.506 3.503 50 0 FHAAHM C=Cc1cccc(CN2CCC(Oc3cccc(F)c3)(C(=O)[O-])CC2)c1 ZINC000072474862 221547604 /nfs/dbraw/zinc/54/76/04/221547604.db2.gz KLLHTVZIDWPXOH-UHFFFAOYSA-N -1 3 355.409 3.967 50 0 FHAAHM O=C(N[C@@H]1CCCc2c1cnn2-c1cc(F)cc(F)c1)c1ccccc1[O-] ZINC000091779422 221794851 /nfs/dbraw/zinc/79/48/51/221794851.db2.gz VRKOGVTYLKCABE-QGZVFWFLSA-N -1 3 369.371 3.664 50 0 FHAAHM O=c1c2c3c(c[n-]c-2nn1-c1ccccc1)C(=O)C[C@H](c1ccccc1)C3 ZINC000100130350 222235464 /nfs/dbraw/zinc/23/54/64/222235464.db2.gz FBLFVABZKQPNEV-OAHLLOKOSA-N -1 3 355.397 3.627 50 0 FHAAHM C[C@H]1C(=O)Nc2ccc(C(=O)CSc3n[n-]c(-c4cccs4)n3)cc21 ZINC000103319433 222333926 /nfs/dbraw/zinc/33/39/26/222333926.db2.gz KBIGTUWRIALFOU-SECBINFHSA-N -1 3 370.459 3.564 50 0 FHAAHM CS(=O)(=O)[N-]c1ccccc1NC(=O)Cc1c(Cl)cccc1Cl ZINC000024881894 263387820 /nfs/dbraw/zinc/38/78/20/263387820.db2.gz ADTBKUJIVAEQNZ-UHFFFAOYSA-N -1 3 373.261 3.546 50 0 FHAAHM CCCn1c(=O)[n-]nc1S[C@@H](C(=O)Nc1ccccc1Cl)C(C)C ZINC000032325610 263393720 /nfs/dbraw/zinc/39/37/20/263393720.db2.gz TVQVKQUGIJDZQK-CYBMUJFWSA-N -1 3 368.890 3.803 50 0 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571352716 /nfs/dbraw/zinc/35/27/16/571352716.db2.gz BOQORGOBSLXSTO-UHFFFAOYSA-N -1 3 366.421 3.849 50 0 FHAAHM CCOc1cc([C@H]2NC(=O)c3ccccc3N2)cc(Br)c1[O-] ZINC000004108247 571355357 /nfs/dbraw/zinc/35/53/57/571355357.db2.gz RQKTZTDTTBJYSR-OAHLLOKOSA-N -1 3 363.211 3.982 50 0 FHAAHM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1)C1CCC1 ZINC000008290730 571360261 /nfs/dbraw/zinc/36/02/61/571360261.db2.gz WZVIHQSOBPLSLA-UHFFFAOYSA-N -1 3 364.854 3.879 50 0 FHAAHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CCC(c2cc[nH]n2)CC1 ZINC000177416104 940185909 /nfs/dbraw/zinc/18/59/09/940185909.db2.gz RPRZKRRRUQSGBS-UHFFFAOYSA-N -1 3 363.417 3.927 50 0 FHAAHM Cc1c([O-])ccc2c(C)c(CCC(=O)Nc3ccc(F)cc3F)c(=O)oc12 ZINC000009486755 219881351 /nfs/dbraw/zinc/88/13/51/219881351.db2.gz YVLKOGNUWCSMEW-UHFFFAOYSA-N -1 3 373.355 3.965 50 0 FHAAHM C[C@@H](Sc1ncccn1)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000012567812 220008517 /nfs/dbraw/zinc/00/85/17/220008517.db2.gz HNLHLODQWPKRMY-SECBINFHSA-N -1 3 356.432 3.888 50 0 FHAAHM 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C[C@H](Sc1n[n-]c(-c2cccs2)n1)C(=O)N1CCCc2ccccc21 ZINC000009482579 571110634 /nfs/dbraw/zinc/11/06/34/571110634.db2.gz LXLSLWHKZYVCSY-LBPRGKRZSA-N -1 3 370.503 3.993 50 0 FHAAHM O=C(Nc1ncccc1[O-])c1csc(COc2ccc(Cl)cc2)n1 ZINC000012822655 571124115 /nfs/dbraw/zinc/12/41/15/571124115.db2.gz HQJRZMRQAAOYFH-UHFFFAOYSA-N -1 3 361.810 3.728 50 0 FHAAHM Cc1cccc(Cn2[n-]ccc2=NC(=O)CSc2cc(F)ccc2F)c1 ZINC000252470030 571131072 /nfs/dbraw/zinc/13/10/72/571131072.db2.gz NPXFXDIHSLXXCL-UHFFFAOYSA-N -1 3 373.428 3.671 50 0 FHAAHM O=C(NC([N-]c1ccccc1)(C(F)(F)F)C(F)(F)F)c1cccnc1 ZINC000001042117 571144783 /nfs/dbraw/zinc/14/47/83/571144783.db2.gz UIRMYBCMMNHANW-UHFFFAOYSA-N -1 3 363.261 3.744 50 0 FHAAHM Cc1ccc(-c2cn[nH]c2[C@@H]2CCCN(C(=O)c3ccc([O-])cn3)C2)cc1 ZINC000067540515 571147083 /nfs/dbraw/zinc/14/70/83/571147083.db2.gz JBMRZAPQMVUNHZ-MRXNPFEDSA-N -1 3 362.433 3.506 50 0 FHAAHM CC(C)CCNC(=O)[C@H](C)Sc1nc2cc(Cl)ccc2c(=O)[n-]1 ZINC000074784184 571151446 /nfs/dbraw/zinc/15/14/46/571151446.db2.gz 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Cc1cnccc1-c1ccc(C(=O)N2CCC[C@H](c3cc(=O)[n-]cn3)C2)cc1 ZINC000426420048 571222527 /nfs/dbraw/zinc/22/25/27/571222527.db2.gz IGGUXYFNBZKOQJ-SFHVURJKSA-N -1 3 374.444 3.572 50 0 FHAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccc(C)nn3)cc2)cc1 ZINC000082230531 571229711 /nfs/dbraw/zinc/22/97/11/571229711.db2.gz GBQOJPIKRLBEMK-UHFFFAOYSA-N -1 3 355.419 3.687 50 0 FHAAHM O=C(Cc1ccc(Cl)cc1)N1NC2=C(CCCC2)[C@]1([O-])C(F)(F)F ZINC000033327062 571234662 /nfs/dbraw/zinc/23/46/62/571234662.db2.gz ZVKYFIOWQJNGCK-WFASDCNBSA-N -1 3 360.763 3.522 50 0 FHAAHM CCOc1ccc(CNCc2c3ccc(OC)cc3n(C)c2C(=O)[O-])cc1 ZINC000006795088 571246891 /nfs/dbraw/zinc/24/68/91/571246891.db2.gz CRYDVYFQSKSYPC-UHFFFAOYSA-N -1 3 368.433 3.574 50 0 FHAAHM Cc1nc2sc([C@@H](c3cccc(F)c3)N3CCC[C@@H](C)C3)c([O-])n2n1 ZINC000036383558 571251120 /nfs/dbraw/zinc/25/11/20/571251120.db2.gz MSZYVBDUAHETNH-IAQYHMDHSA-N -1 3 360.458 3.765 50 0 FHAAHM CCOC(=O)c1sc2[n-]c([C@@H](C)Nc3ccccc3)nc(=O)c2c1C ZINC000007002400 571257021 /nfs/dbraw/zinc/25/70/21/571257021.db2.gz NCHRUONLLRIOKM-LLVKDONJSA-N -1 3 357.435 3.643 50 0 FHAAHM Cc1ccc(OCC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC000007215766 571263152 /nfs/dbraw/zinc/26/31/52/571263152.db2.gz QKBZDJFEYVOOAT-UHFFFAOYSA-N -1 3 360.262 3.659 50 0 FHAAHM CCN(C(=O)c1cnc2c(c(C)nn2-c2ccccc2)c1[O-])c1ccccc1 ZINC000007423999 571265340 /nfs/dbraw/zinc/26/53/40/571265340.db2.gz JCLREEIVLWMJIS-UHFFFAOYSA-N -1 3 372.428 3.689 50 0 FHAAHM O=C(Cc1cccc([O-])c1F)Nc1cccc(COC[C@@H]2CCCCO2)c1 ZINC000170596775 571266552 /nfs/dbraw/zinc/26/65/52/571266552.db2.gz YJWGCSAYSRQELA-SFHVURJKSA-N -1 3 373.424 3.798 50 0 FHAAHM O=C(Cc1cccc2ccccc21)[N-]OCc1ccc(-n2ccnc2)cc1 ZINC000170619706 571268693 /nfs/dbraw/zinc/26/86/93/571268693.db2.gz HHQCPDDZBSEUSN-UHFFFAOYSA-N -1 3 357.413 3.816 50 0 FHAAHM O=C([O-])[C@@H]1Cc2c3ccccc3[nH]c2[C@@H](c2ccc(Br)cc2)N1 ZINC000001510860 571293272 /nfs/dbraw/zinc/29/32/72/571293272.db2.gz FPBHUDMWBLCBLN-JKSUJKDBSA-N -1 3 371.234 3.619 50 0 biogenic FHAAHM CC(C)n1[n-]c(=O)c2c1NC(=O)CS[C@@H]2c1c[nH]nc1-c1ccccc1 ZINC000079484383 571327571 /nfs/dbraw/zinc/32/75/71/571327571.db2.gz CJCIAXZZJSRDAY-MRXNPFEDSA-N -1 3 369.450 3.984 50 0 FHAAHM Cc1ccc(-c2csc3[n-]c(Cc4cncn4C)nc(=O)c23)cc1C ZINC000095466452 571330457 /nfs/dbraw/zinc/33/04/57/571330457.db2.gz TVBCOPWUAFWCCA-UHFFFAOYSA-N -1 3 350.447 3.593 50 0 FHAAHM CCOC(=O)c1sc2[n-]c(Cc3ccccc3Cl)nc(=O)c2c1C ZINC000002641068 571339828 /nfs/dbraw/zinc/33/98/28/571339828.db2.gz PZHHHGCNVSPTNV-UHFFFAOYSA-N -1 3 362.838 3.714 50 0 FHAAHM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(Cn3cncn3)cc2)cc1 ZINC000031776448 571353598 /nfs/dbraw/zinc/35/35/98/571353598.db2.gz YDJHINOPNQCBHI-HNNXBMFYSA-N -1 3 370.478 3.641 50 0 FHAAHM CCOc1ccc(C(=O)C[C@H](NCc2ccc(Cl)cc2)C(=O)[O-])cc1 ZINC000004118355 571355528 /nfs/dbraw/zinc/35/55/28/571355528.db2.gz GVOKZGXPOGZLJY-KRWDZBQOSA-N -1 3 361.825 3.555 50 0 FHAAHM COc1ccccc1C(=O)CSc1n[n-]c(COc2ccc(C)cc2)n1 ZINC000008036313 571358541 /nfs/dbraw/zinc/35/85/41/571358541.db2.gz KOJWNIJBFQNXCP-UHFFFAOYSA-N -1 3 369.446 3.676 50 0 FHAAHM O=C(C[C@H]1C=CCC1)Nc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000008050213 571358695 /nfs/dbraw/zinc/35/86/95/571358695.db2.gz AWROGRPJABMTIZ-AWEZNQCLSA-N -1 3 374.437 3.921 50 0 FHAAHM O=C(Nc1cc(Cl)ccc1[O-])[C@@H]1CC(c2ccccc2Cl)=NO1 ZINC000000814987 219325597 /nfs/dbraw/zinc/32/55/97/219325597.db2.gz APAZPLLCXLGTPQ-HNNXBMFYSA-N -1 3 351.189 3.831 50 0 FHAAHM Cc1cc(S(=O)(=O)[N-]Cc2ccc3c(c2)OCO3)c(Cl)cc1Cl ZINC000000911363 219339632 /nfs/dbraw/zinc/33/96/32/219339632.db2.gz GNVRNLKAGOXOFT-UHFFFAOYSA-N -1 3 374.245 3.509 50 0 FHAAHM COc1ccc([N-]S(=O)(=O)c2ccc(OC)c(Cl)c2)cc1Cl ZINC000001065913 219362991 /nfs/dbraw/zinc/36/29/91/219362991.db2.gz MTOKLXYPHFRVRP-UHFFFAOYSA-N -1 3 362.234 3.811 50 0 FHAAHM COc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(Cl)c1Cl ZINC000001067754 219363225 /nfs/dbraw/zinc/36/32/25/219363225.db2.gz MBWSDWDEOHOADN-UHFFFAOYSA-N -1 3 350.198 3.942 50 0 FHAAHM CSc1ccccc1[N-]C(=O)c1cc2c(nc3ccccn3c2=O)s1 ZINC000001059129 219360434 /nfs/dbraw/zinc/36/04/34/219360434.db2.gz YTXHDQHTRLAAON-UHFFFAOYSA-N -1 3 367.455 3.883 50 0 FHAAHM Cc1cc([N-]C(=O)c2cc(Br)c(Br)s2)no1 ZINC000012729462 220022264 /nfs/dbraw/zinc/02/22/64/220022264.db2.gz PXOFNULSKSFELE-UHFFFAOYSA-N -1 3 366.034 3.822 50 0 FHAAHM COc1ccc(OC)c(NC(=O)c2cc(-c3cc(Cl)ccc3[O-])[nH]n2)c1 ZINC000013127044 220058943 /nfs/dbraw/zinc/05/89/43/220058943.db2.gz GYXCJQQZYAKBBN-UHFFFAOYSA-N -1 3 373.796 3.705 50 0 aggregator FHAAHM COc1ccc(OC)c(NC(=O)c2cc(-c3cc(Cl)ccc3[O-])n[nH]2)c1 ZINC000013127044 220058945 /nfs/dbraw/zinc/05/89/45/220058945.db2.gz GYXCJQQZYAKBBN-UHFFFAOYSA-N -1 3 373.796 3.705 50 0 aggregator FHAAHM Cc1nc(-c2ccccc2)nc(SCCN2CCCCC2)c1C(=O)[O-] ZINC000013625577 220079094 /nfs/dbraw/zinc/07/90/94/220079094.db2.gz WIOAAUSNHQSKAM-UHFFFAOYSA-N -1 3 357.479 3.728 50 0 FHAAHM O=c1[n-]nc(-c2ccccc2)c2nn(-c3ccc(Br)cc3)cc21 ZINC000013637222 220080340 /nfs/dbraw/zinc/08/03/40/220080340.db2.gz DJPAINHDZJKATQ-UHFFFAOYSA-N -1 3 367.206 3.951 50 0 FHAAHM COC(=O)c1cc(-c2ccccc2)sc1[N-]C(=S)n1cc(C)cn1 ZINC000017073800 220204199 /nfs/dbraw/zinc/20/41/99/220204199.db2.gz CNYQNWVMXLBWLX-UHFFFAOYSA-N -1 3 357.460 3.952 50 0 FHAAHM CCOC(=O)c1c(CN(CC)CC)oc2cc(Br)c([O-])cc21 ZINC000019857058 220301893 /nfs/dbraw/zinc/30/18/93/220301893.db2.gz YRBZKPKZJNRCEW-UHFFFAOYSA-N -1 3 370.243 3.919 50 0 aggregator FHAAHM C[C@@H]1CCC2=C(C1)[C@@]([O-])(C(F)(F)F)N(C(=O)c1ccc(Cl)cc1)N2 ZINC000020034118 220309732 /nfs/dbraw/zinc/30/97/32/220309732.db2.gz VHDNLZPAGIEZFC-DDHOLCJHSA-N -1 3 360.763 3.839 50 0 FHAAHM Cc1cccc([O-])c1NC(=O)c1cccn2c(Cc3ccccc3)nnc12 ZINC000021723583 220365137 /nfs/dbraw/zinc/36/51/37/220365137.db2.gz UANQJRUYMOTHMU-UHFFFAOYSA-N -1 3 358.401 3.586 50 0 FHAAHM CCc1nnc([N-]C(=O)c2sc(NC(=O)c3ccco3)cc2C)s1 ZINC000021289453 220356115 /nfs/dbraw/zinc/35/61/15/220356115.db2.gz PTYQLVSHUDCDBX-UHFFFAOYSA-N -1 3 362.436 3.568 50 0 FHAAHM COC(=O)CSCc1nc(=O)c2c([n-]1)sc(C)c2-c1ccc(C)cc1 ZINC000021244619 220356580 /nfs/dbraw/zinc/35/65/80/220356580.db2.gz XCMHLQVMPNHGCM-UHFFFAOYSA-N -1 3 374.487 3.675 50 0 FHAAHM CCC[C@H](C)NC(=O)c1sc2[n-]c(Cc3ccccc3)nc(=O)c2c1C ZINC000022461840 220387330 /nfs/dbraw/zinc/38/73/30/220387330.db2.gz HETUPFBMLLVRQF-LBPRGKRZSA-N -1 3 369.490 3.802 50 0 FHAAHM Cc1ccc(Cl)cc1[N-]S(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C ZINC000033813038 220750514 /nfs/dbraw/zinc/75/05/14/220750514.db2.gz HLESWYGLMRRXHI-SJCJKPOMSA-N -1 3 355.887 3.786 50 0 FHAAHM Cc1ccc(OC[C@H]2CCCN(Cc3ccccc3OCC(=O)[O-])C2)cc1 ZINC000055198120 221061122 /nfs/dbraw/zinc/06/11/22/221061122.db2.gz USIAUZKEPYXVNW-SFHVURJKSA-N -1 3 369.461 3.749 50 0 FHAAHM Cc1cc([N-]C(=O)[C@H](C)Nc2cccc(NC(=O)c3ccccc3)c2)on1 ZINC000056174505 221077945 /nfs/dbraw/zinc/07/79/45/221077945.db2.gz IQQGRZPHFFNUDT-AWEZNQCLSA-N -1 3 364.405 3.674 50 0 FHAAHM COc1cccc(F)c1C(=O)[N-]c1nnc(Cc2ccccc2C)s1 ZINC000055360895 221066960 /nfs/dbraw/zinc/06/69/60/221066960.db2.gz OODOWPVQRFFBBW-UHFFFAOYSA-N -1 3 357.410 3.837 50 0 FHAAHM Cc1nn(C)c(C)c1[C@@H]1CC(=O)Nc2c1c(=O)[n-]n2C1CCCCCC1 ZINC000071279785 221336853 /nfs/dbraw/zinc/33/68/53/221336853.db2.gz QAZBRQXMXXSOCM-AWEZNQCLSA-N -1 3 357.458 3.546 50 0 FHAAHM COc1ccc([C@@H]2CC(=O)Nc3c2c(=O)[n-]n3C2CCCCC2)cc1OC ZINC000071282085 221338164 /nfs/dbraw/zinc/33/81/64/221338164.db2.gz FVFDLNRXENNPMW-AWEZNQCLSA-N -1 3 371.437 3.822 50 0 FHAAHM COc1ccc([C@@H]2CC(=O)Nc3c2c(=O)[n-]n3C2CCCCC2)cc1O ZINC000071280374 221338486 /nfs/dbraw/zinc/33/84/86/221338486.db2.gz RDWVBDHYDBRMHN-ZDUSSCGKSA-N -1 3 357.410 3.519 50 0 FHAAHM CCOc1ccc([C@@H](C)NC(=O)Nc2cccc3n[n-]nc32)cc1OCC ZINC000096160549 222059290 /nfs/dbraw/zinc/05/92/90/222059290.db2.gz JZRXRPWOXURFLX-GFCCVEGCSA-N -1 3 369.425 3.638 50 0 FHAAHM CCCC[C@@H]1[C@H]2C(=O)N(c3ccccc3C)C([O-])=C2ON1c1ccccc1 ZINC000102727387 222305635 /nfs/dbraw/zinc/30/56/35/222305635.db2.gz SXZFTHLDQXMSFV-VAMGGRTRSA-N -1 3 364.445 3.864 50 0 FHAAHM Cc1c(Cl)ccc(S(=O)(=O)[N-]Cc2ccc3c(c2)OCO3)c1Cl ZINC000000643252 263141373 /nfs/dbraw/zinc/14/13/73/263141373.db2.gz NXTDBNZDUPDJCJ-UHFFFAOYSA-N -1 3 374.245 3.509 50 0 FHAAHM Cc1ccc(CSc2nc(-c3ccc(C)cc3)nc3cc(=O)[n-]n32)cc1 ZINC000009640723 263362255 /nfs/dbraw/zinc/36/22/55/263362255.db2.gz JBGZIZIQXHPWAV-UHFFFAOYSA-N -1 3 362.458 3.994 50 0 FHAAHM Cc1nc([C@H]2CCCN(C(=O)Nc3cc(F)ccc3Cl)C2)cc(=O)[n-]1 ZINC000299794494 534501971 /nfs/dbraw/zinc/50/19/71/534501971.db2.gz IXIAXLDZZRBHHI-NSHDSACASA-N -1 3 364.808 3.695 50 0 FHAAHM COc1cc(CN2CCC[C@@H](C)C2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC000219329213 568290065 /nfs/dbraw/zinc/29/00/65/568290065.db2.gz FMCDEDDEAYUSHU-CQSZACIVSA-N -1 3 359.422 3.797 50 0 FHAAHM CC(C)Cc1cc(C(=O)N2CCCCC[C@H]2c2cccc(F)c2)[n-]c(=O)n1 ZINC000223506482 568662867 /nfs/dbraw/zinc/66/28/67/568662867.db2.gz JKJFFUQOHNCPIO-IBGZPJMESA-N -1 3 371.456 3.865 50 0 FHAAHM O=C(N[C@H]1CCCc2c1cnn2-c1cc(F)cc(F)c1)c1ccccc1[O-] ZINC000091779425 570438552 /nfs/dbraw/zinc/43/85/52/570438552.db2.gz VRKOGVTYLKCABE-KRWDZBQOSA-N -1 3 369.371 3.664 50 0 FHAAHM COc1ccc([C@@H](C(=O)[O-])N(C)Cc2ccnc3ccccc23)c(OC)c1 ZINC000095370870 570456080 /nfs/dbraw/zinc/45/60/80/570456080.db2.gz VCEFSVOCHNHGCI-FQEVSTJZSA-N -1 3 366.417 3.510 50 0 FHAAHM COc1ccc([C@H](C(=O)[O-])N(C)Cc2ccnc3ccccc23)c(OC)c1 ZINC000095370871 570456138 /nfs/dbraw/zinc/45/61/38/570456138.db2.gz VCEFSVOCHNHGCI-HXUWFJFHSA-N -1 3 366.417 3.510 50 0 FHAAHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000001171548 570487287 /nfs/dbraw/zinc/48/72/87/570487287.db2.gz HUWPRVNKSVACQM-UHFFFAOYSA-N -1 3 356.241 3.649 50 0 FHAAHM O=C([O-])[C@@H]1Cc2c3ccccc3[nH]c2[C@@H](c2cccc(C(F)(F)F)c2)N1 ZINC000002109515 570514613 /nfs/dbraw/zinc/51/46/13/570514613.db2.gz BCAAQHIVHZXLCQ-JKSUJKDBSA-N -1 3 360.335 3.875 50 0 biogenic FHAAHM COc1ccc(OC)c(-c2cc(C(=O)[N-]c3ccc(F)cc3F)no2)c1 ZINC000003908360 570571774 /nfs/dbraw/zinc/57/17/74/570571774.db2.gz VTRUILOKEMKRGY-UHFFFAOYSA-N -1 3 360.316 3.889 50 0 FHAAHM Cc1nn(C)c2sc(C(=O)[N-]c3nnc(-c4ccccc4)s3)cc12 ZINC000011806419 570595467 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