smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H](N[C@@H](C)c1ncc(C(=O)[O-])s1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000686274722 976104056 /nfs/dbraw/zinc/10/40/56/976104056.db2.gz LMISLFMUYBGIQF-ZJUUUORDSA-N -1 3 355.460 2.747 10 0 FFAEHM C[C@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)Cc1ccccc1C(=O)[O-] ZINC000716174592 977810572 /nfs/dbraw/zinc/81/05/72/977810572.db2.gz KBJYNNWEJIXFTO-JXFKEZNVSA-N -1 3 366.461 2.954 10 0 FFAEHM CC1(C)C=Cc2c(cc([O-])c3c2O[C@@H](c2ccc(O)cc2)[C@H](O)C3=O)O1 ZINC000014887154 206312054 /nfs/dbraw/zinc/31/20/54/206312054.db2.gz CXIZZLWYTVCYIE-MSOLQXFVSA-N -1 3 354.358 2.959 10 0 biogenic FFAEHM Cn1c2c(nc1[C@@H]1CCCN1C(=O)c1cc(F)cc3[n-]nnc31)CCCC2 ZINC000286281139 257029189 /nfs/dbraw/zinc/02/91/89/257029189.db2.gz UOTYJBOUMKWTAF-INIZCTEOSA-N -1 3 368.416 2.687 10 0 FFAEHM Cn1c2c(nc1[C@@H]1CCCN1C(=O)c1cc(F)cc3nn[n-]c31)CCCC2 ZINC000286281139 257029190 /nfs/dbraw/zinc/02/91/90/257029190.db2.gz UOTYJBOUMKWTAF-INIZCTEOSA-N -1 3 368.416 2.687 10 0 FFAEHM Cn1c2c(nc1[C@@H]1CCCN1C(=O)c1cc(F)cc3n[n-]nc31)CCCC2 ZINC000286281139 257029191 /nfs/dbraw/zinc/02/91/91/257029191.db2.gz UOTYJBOUMKWTAF-INIZCTEOSA-N -1 3 368.416 2.687 10 0 FFAEHM Cc1ccccc1-c1cc(=NC(=O)[C@H]2CCCN2C(=O)C2CCCC2)[nH][n-]1 ZINC000329368077 258136396 /nfs/dbraw/zinc/13/63/96/258136396.db2.gz JCWBHUHEGPRYRJ-GOSISDBHSA-N -1 3 366.465 2.927 10 0 FFAEHM COCc1cc(=O)[n-]c(-c2ccccc2CN(C)CCc2ccccn2)n1 ZINC000023505795 507357463 /nfs/dbraw/zinc/35/74/63/507357463.db2.gz ZZIYBSZILVNFBA-UHFFFAOYSA-N -1 3 364.449 2.653 10 0 FFAEHM N[C@H]1CN(Cc2cccc(C(=O)[O-])c2)C(=O)C[C@@H]1c1ccccc1Cl ZINC000072232743 507771102 /nfs/dbraw/zinc/77/11/02/507771102.db2.gz XGOHTVZLQJSPLU-WBVHZDCISA-N -1 3 358.825 2.882 10 0 FFAEHM CC1(C)Cc2ccc(C(=O)N3CCC(Nc4cccnn4)CC3)c([O-])c2O1 ZINC000109639011 507973924 /nfs/dbraw/zinc/97/39/24/507973924.db2.gz PZUNLCNDYJBVDE-UHFFFAOYSA-N -1 3 368.437 2.612 10 0 FFAEHM O=C(Cn1ccc2ccc(Cl)cc21)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000109875951 507994104 /nfs/dbraw/zinc/99/41/04/507994104.db2.gz PUJGSXWDBDOHFG-UHFFFAOYSA-N -1 3 366.812 2.791 10 0 FFAEHM O=C(Cn1ccc2ccc(Cl)cc21)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000109875951 507994108 /nfs/dbraw/zinc/99/41/08/507994108.db2.gz PUJGSXWDBDOHFG-UHFFFAOYSA-N -1 3 366.812 2.791 10 0 FFAEHM COCC(=O)N(Cc1nc(C)c(Cc2cccc(C)c2)c(=O)[n-]1)CC(C)C ZINC000096317878 508213680 /nfs/dbraw/zinc/21/36/80/508213680.db2.gz ZGLUZKWFRHZDIE-UHFFFAOYSA-N -1 3 371.481 2.609 10 0 FFAEHM COc1cc(OC)cc([C@H]2CCN([C@@H](C)C(=O)[N-]c3cc(C)no3)C2)c1 ZINC000083403167 508243700 /nfs/dbraw/zinc/24/37/00/508243700.db2.gz BQXDJVPUCIMONF-KBPBESRZSA-N -1 3 359.426 2.817 10 0 FFAEHM CCc1csc([C@H]2CCCN(C(=O)c3ccc4c(c3)C(=O)[N-]C4=O)C2)n1 ZINC000113440304 508268017 /nfs/dbraw/zinc/26/80/17/508268017.db2.gz IUTWBYKYYPRRDR-LBPRGKRZSA-N -1 3 369.446 2.609 10 0 FFAEHM COc1cc(Cl)c(S(=O)(=O)[N-][C@@H](C)[C@H]2CCCO2)cc1Cl ZINC000105617285 508378942 /nfs/dbraw/zinc/37/89/42/508378942.db2.gz NXSYDYNQSSICLY-GZMMTYOYSA-N -1 3 354.255 2.848 10 0 FFAEHM O=C(c1c[n-]c2ccccc2c1=O)N1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000157282673 508546679 /nfs/dbraw/zinc/54/66/79/508546679.db2.gz KPNKZAXIOGSPCF-DYVFJYSZSA-N -1 3 352.390 2.849 10 0 FFAEHM CC(C)n1cnc(S(=O)(=O)[N-][C@@H](C)c2cccc(-n3ccnc3)c2)c1 ZINC000153671260 508622714 /nfs/dbraw/zinc/62/27/14/508622714.db2.gz YAHICIUAERHINF-AWEZNQCLSA-N -1 3 359.455 2.689 10 0 FFAEHM COc1ccccc1C[C@H]1CCCN1C(=O)c1cnc2c(cnn2C)c1[O-] ZINC000179462560 509455822 /nfs/dbraw/zinc/45/58/22/509455822.db2.gz JZFNQUZOLVVGBD-CQSZACIVSA-N -1 3 366.421 2.530 10 0 FFAEHM CCOC(=O)[C@@H]([N-]S(=O)(=O)c1ccccc1)c1ccc(Cl)cc1 ZINC000192991150 509728033 /nfs/dbraw/zinc/72/80/33/509728033.db2.gz FVDXEZKNCACZDT-HNNXBMFYSA-N -1 3 353.827 2.923 10 0 FFAEHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000253556104 509897063 /nfs/dbraw/zinc/89/70/63/509897063.db2.gz FXTWFXMZMKFGIY-RDJZCZTQSA-N -1 3 368.481 2.963 10 0 FFAEHM CO[C@H]1C[C@@H](c2nc(C)no2)N(Cc2cc([O-])ccc2Br)C1 ZINC000190155718 509974567 /nfs/dbraw/zinc/97/45/67/509974567.db2.gz MJGCZVDKYBWVRB-JSGCOSHPSA-N -1 3 368.231 2.808 10 0 FFAEHM O=C(c1cc(Oc2ccccc2)ccc1[O-])N1CC[C@H](N2CCOCC2)C1 ZINC000177419755 510049090 /nfs/dbraw/zinc/04/90/90/510049090.db2.gz UVEATVVFANRRHO-INIZCTEOSA-N -1 3 368.433 2.731 10 0 FFAEHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)[C@H]2C[C@@H]2C2CCCCC2)CC1 ZINC000175305061 510578635 /nfs/dbraw/zinc/57/86/35/510578635.db2.gz VXYLGKOKGHVMBN-MOPGFXCFSA-N -1 3 356.466 2.893 10 0 FFAEHM O=C(c1ccccc1[O-])N1CCN(C(=O)[C@H]2C[C@H]2C2CCCCC2)CC1 ZINC000175363805 510610224 /nfs/dbraw/zinc/61/02/24/510610224.db2.gz JRHNTFGEBSXDMV-ROUUACIJSA-N -1 3 356.466 2.893 10 0 FFAEHM Cc1ccsc1[C@@H]1C[C@H]1C(=O)Nc1ccc(C[C@@H]2NC(=O)[N-]C2=O)cc1 ZINC000247255755 510854467 /nfs/dbraw/zinc/85/44/67/510854467.db2.gz XJPUFXYCBWLMSB-KFWWJZLASA-N -1 3 369.446 2.549 10 0 FFAEHM C[C@@H]1COC[C@@H](C)N1C(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000408192872 513017900 /nfs/dbraw/zinc/01/79/00/513017900.db2.gz ANUYYGHAKPVHDU-NXEZZACHSA-N -1 3 365.227 2.540 10 0 FFAEHM C[C@@H]1COC[C@@H](C)N1C(=O)c1cnc2ccc(Br)cc2c1[O-] ZINC000408192872 513017903 /nfs/dbraw/zinc/01/79/03/513017903.db2.gz ANUYYGHAKPVHDU-NXEZZACHSA-N -1 3 365.227 2.540 10 0 FFAEHM CC(C)(C)OC(=O)N1CC[C@@]2(C1)C[C@@H](N)c1c(F)cc(C(=O)[O-])cc1O2 ZINC000725259620 570523439 /nfs/dbraw/zinc/52/34/39/570523439.db2.gz HUBQFDONQKSSEC-XIKOKIGWSA-N -1 3 366.389 2.686 10 0 FFAEHM C[C@@H](N[C@@H]1C[C@@H](C(=O)[O-])C[C@@H]1n1cc(C(C)(C)C)nn1)c1ccccn1 ZINC000685942187 571102920 /nfs/dbraw/zinc/10/29/20/571102920.db2.gz FVILYQLWVRCQBH-XOUADPBQSA-N -1 3 357.458 2.726 10 0 FFAEHM C[C@H](OC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C)c1nc2ccccc2s1 ZINC000153899255 728790796 /nfs/dbraw/zinc/79/07/96/728790796.db2.gz JCEVCGMWLJDANJ-GWCFXTLKSA-N -1 3 370.496 2.864 10 0 FFAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]CC1(c2ccccc2C)CC1 ZINC000102414797 728490632 /nfs/dbraw/zinc/49/06/32/728490632.db2.gz MXNKJLXJAFPNCU-UHFFFAOYSA-N -1 3 353.875 2.700 10 0 FFAEHM C[C@H]1CN(Cc2ccc(I)cc2)C[C@]1(C)C(=O)[O-] ZINC000710163058 977488439 /nfs/dbraw/zinc/48/84/39/977488439.db2.gz VWGNBTUBMDSJQB-HZMBPMFUSA-N -1 3 359.207 2.834 10 0 FFAEHM Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3ccc(=O)[nH]n3)c2)c(C)c1 ZINC000057819856 249589343 /nfs/dbraw/zinc/58/93/43/249589343.db2.gz UOMQRGKGXJVYMU-UHFFFAOYSA-N -1 3 355.419 2.855 10 0 FFAEHM O=c1[n-]c(N2CCN(c3cccc(C(F)(F)F)c3)CC2)nc2c1CCC2 ZINC000057343018 132376364 /nfs/dbraw/zinc/37/63/64/132376364.db2.gz HFCBSSXBYJMOLU-UHFFFAOYSA-N -1 3 364.371 2.604 10 0 FFAEHM Cc1cc(S(=O)(=O)[N-][C@H](C)[C@H]2CCCO2)sc1Br ZINC000094442914 508171753 /nfs/dbraw/zinc/17/17/53/508171753.db2.gz FIFGSWCWJWOQRZ-RKDXNWHRSA-N -1 3 354.291 2.665 10 0 FFAEHM CCn1cnc(S(=O)(=O)[N-][C@H](C)c2cccc(Br)c2)c1 ZINC000081685170 508204104 /nfs/dbraw/zinc/20/41/04/508204104.db2.gz DFEJVUHWSLCBQZ-SNVBAGLBSA-N -1 3 358.261 2.705 10 0 FFAEHM C[C@@H]1COC[C@@H](C)N1C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000077138317 508280334 /nfs/dbraw/zinc/28/03/34/508280334.db2.gz UVUMBSAZUXONME-NXEZZACHSA-N -1 3 365.227 2.952 10 0 FFAEHM Cc1cc(NC(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)ccc1F ZINC000103100478 508296236 /nfs/dbraw/zinc/29/62/36/508296236.db2.gz HTKYIZJEWCNDKF-NSHDSACASA-N -1 3 354.378 2.579 10 0 FFAEHM Cc1ccc([C@@H]2CCCCN2C(=O)C[N-]S(=O)(=O)c2cccs2)o1 ZINC000129132421 508688672 /nfs/dbraw/zinc/68/86/72/508688672.db2.gz STVAXNRVWMGGRW-ZDUSSCGKSA-N -1 3 368.480 2.682 10 0 FFAEHM Cc1cnn(CCNC(=O)c2cc(OCc3ccccc3)ccc2[O-])c1 ZINC000131586711 508952280 /nfs/dbraw/zinc/95/22/80/508952280.db2.gz GRHBQOMKAMLORX-UHFFFAOYSA-N -1 3 351.406 2.906 10 0 FFAEHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCCC[C@@H]2c2ccc(C)o2)c(C)o1 ZINC000176169533 509358600 /nfs/dbraw/zinc/35/86/00/509358600.db2.gz QASORGXLKACBQW-CQSZACIVSA-N -1 3 366.439 2.765 10 0 FFAEHM COc1ccc([C@H]2CCCN2C(=O)c2cnc3c(cnn3C)c2[O-])cc1 ZINC000179398683 509421349 /nfs/dbraw/zinc/42/13/49/509421349.db2.gz GTPJYBRACHKJBM-MRXNPFEDSA-N -1 3 352.394 2.660 10 0 FFAEHM Cn1ncc2c1ncc(C(=O)N1CCC(Cc3cccc(F)c3)CC1)c2[O-] ZINC000179437062 509441666 /nfs/dbraw/zinc/44/16/66/509441666.db2.gz SUMFWJXCFSDYJL-UHFFFAOYSA-N -1 3 368.412 2.908 10 0 FFAEHM Cn1ncc2c1ncc(C(=O)N1CC[C@H](CSc3ccccc3)C1)c2[O-] ZINC000179523814 509495833 /nfs/dbraw/zinc/49/58/33/509495833.db2.gz PSYNOGAABHDNBA-ZDUSSCGKSA-N -1 3 368.462 2.928 10 0 FFAEHM O=S(=O)(CCc1cccs1)[N-]C1(c2noc(C3CC3)n2)CCCC1 ZINC000189692050 509706085 /nfs/dbraw/zinc/70/60/85/509706085.db2.gz AYWWTXPUZMSCQH-UHFFFAOYSA-N -1 3 367.496 2.940 10 0 FFAEHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@H]3C[C@H]3C)c2)cc1 ZINC000171065495 509917521 /nfs/dbraw/zinc/91/75/21/509917521.db2.gz VTSLBJQTVHRYCO-ACJLOTCBSA-N -1 3 374.462 2.943 10 0 FFAEHM C[C@@H]1C[C@H](C(=O)NCC[N-]S(=O)(=O)c2cccs2)CC(C)(C)C1 ZINC000180509313 509960222 /nfs/dbraw/zinc/96/02/22/509960222.db2.gz AVQHOEIPTJURCS-OLZOCXBDSA-N -1 3 358.529 2.605 10 0 FFAEHM COc1ccc(N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)cc1[N-]S(C)(=O)=O ZINC000245610879 510036817 /nfs/dbraw/zinc/03/68/17/510036817.db2.gz VGBNOWGLZYVBOU-IAOVAPTHSA-N -1 3 366.483 2.826 10 0 FFAEHM Cc1ccc(S(=O)(=O)[N-][C@H]2CCCn3nc(C(C)C)nc32)c(Cl)n1 ZINC000193938657 510138268 /nfs/dbraw/zinc/13/82/68/510138268.db2.gz KAVMSNFARHIDOM-NSHDSACASA-N -1 3 369.878 2.572 10 0 FFAEHM CCc1nc(C2([N-]S(=O)(=O)Cc3cccc(OC)c3)CCCC2)no1 ZINC000177606845 510158257 /nfs/dbraw/zinc/15/82/57/510158257.db2.gz XEWFNINIZNJOLD-UHFFFAOYSA-N -1 3 365.455 2.530 10 0 FFAEHM C[C@@H](C(=O)Nc1ccc(OC(F)F)cc1)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000262190614 510205296 /nfs/dbraw/zinc/20/52/96/510205296.db2.gz QZOAVEUREKAZIH-OAVHHTNSSA-N -1 3 368.380 2.802 10 0 FFAEHM CCCCOc1ccc(C(=O)N[C@@H](C)c2nnc3n2CCCC3)c([O-])c1 ZINC000190676963 510280441 /nfs/dbraw/zinc/28/04/41/510280441.db2.gz SIXPIYPSULRQOT-ZDUSSCGKSA-N -1 3 358.442 2.990 10 0 FFAEHM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)N2CCN3CCCC[C@@H]3C2)c1 ZINC000195064521 510655242 /nfs/dbraw/zinc/65/52/42/510655242.db2.gz AYXDRLBZPHAPBD-MRXNPFEDSA-N -1 3 371.510 2.613 10 0 FFAEHM C[C@@H]1OCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000282498366 511001331 /nfs/dbraw/zinc/00/13/31/511001331.db2.gz GEVRLTHXQVHVEL-XVKPBYJWSA-N -1 3 354.653 2.558 10 0 FFAEHM Nc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCC[C@H]1C[C@H]1CCCc2ccccc21 ZINC000365140941 511281304 /nfs/dbraw/zinc/28/13/04/511281304.db2.gz XTIFGFGWHZDKFF-KGLIPLIRSA-N -1 3 368.437 2.585 10 0 FFAEHM [O-]c1cc(I)c(F)c(I)c1 ZINC000307628037 511767605 /nfs/dbraw/zinc/76/76/05/511767605.db2.gz SHEVXWPVBJKRQT-UHFFFAOYSA-N -1 3 363.895 2.741 10 0 FFAEHM C[C@@H]1CC(C[N-]S(=O)(=O)c2ccc(Br)s2)C[C@@H](C)O1 ZINC000546267073 517622119 /nfs/dbraw/zinc/62/21/19/517622119.db2.gz YNWCBQUBVCJDLK-RKDXNWHRSA-N -1 3 368.318 2.993 10 0 FFAEHM C[C@H](N[C@@H]1C[C@@H](C(=O)[O-])C[C@@H]1n1cc(C(C)(C)C)nn1)c1ccccn1 ZINC000685942184 571102960 /nfs/dbraw/zinc/10/29/60/571102960.db2.gz FVILYQLWVRCQBH-XNISGKROSA-N -1 3 357.458 2.726 10 0 FFAEHM Cc1nccn1C[C@@H]1CCCN1Cn1[n-]c(-c2ccccn2)nc1=S ZINC000176076666 729108181 /nfs/dbraw/zinc/10/81/81/729108181.db2.gz OJJXQOZFKYFLMD-AWEZNQCLSA-N -1 3 355.471 2.630 10 0 FFAEHM O=C([O-])C1=CC[C@H](NC(=O)NC[C@@H]2CCCCN2Cc2ccccc2)C1 ZINC000694925951 976743544 /nfs/dbraw/zinc/74/35/44/976743544.db2.gz JARPXNVOZCOWSI-ROUUACIJSA-N -1 3 357.454 2.514 10 0 FFAEHM CC(C)[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1ccc(F)c(F)c1 ZINC000002465054 204039973 /nfs/dbraw/zinc/03/99/73/204039973.db2.gz PNSWORJCBIFTKM-CQSZACIVSA-N -1 3 374.434 2.968 10 0 FFAEHM CCC[C@@H](C(=O)OC)[C@@H]([N-]S(=O)(=O)c1ccc(C)cc1)C(F)(F)F ZINC000071792945 205448003 /nfs/dbraw/zinc/44/80/03/205448003.db2.gz ARHJVYCYNALILN-CHWSQXEVSA-N -1 3 367.389 2.794 10 0 FFAEHM Cc1nc(C(C)C)sc1C(=O)Nc1cccc([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000107626009 206021292 /nfs/dbraw/zinc/02/12/92/206021292.db2.gz LXYMAXRLLZWXSQ-SFHVURJKSA-N -1 3 372.450 2.882 10 0 FFAEHM C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)c1cc(F)c([O-])c(F)c1 ZINC000186815846 251269197 /nfs/dbraw/zinc/26/91/97/251269197.db2.gz DXGMESHRBBYYFV-PXAZEXFGSA-N -1 3 361.392 2.706 10 0 FFAEHM CCSc1n[n-]c(=NC(=O)N2CCN(C3CCC(C)CC3)CC2)s1 ZINC000329352555 258136162 /nfs/dbraw/zinc/13/61/62/258136162.db2.gz XPSDOSHBHWRQGS-UHFFFAOYSA-N -1 3 369.560 2.800 10 0 FFAEHM Cc1ccccc1-c1cc(=NC(=O)[C@@H]2CCCN2C(=O)C2CCCC2)[nH][n-]1 ZINC000329368078 258136393 /nfs/dbraw/zinc/13/63/93/258136393.db2.gz JCWBHUHEGPRYRJ-SFHVURJKSA-N -1 3 366.465 2.927 10 0 FFAEHM C/C=C\COC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(Cl)c([O-])c(OC)c1 ZINC000033398647 506357693 /nfs/dbraw/zinc/35/76/93/506357693.db2.gz ZIACBWRDQIKEGG-WSNITJDQSA-N -1 3 366.801 2.801 10 0 FFAEHM CC(C)COC(=O)N1CCN(c2cncc(-c3ccccc3[O-])n2)CC1 ZINC000035077772 506376701 /nfs/dbraw/zinc/37/67/01/506376701.db2.gz IOFWGOCXNGUAGY-UHFFFAOYSA-N -1 3 356.426 2.764 10 0 FFAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1S(C)(=O)=O)c1cccc(Cl)c1 ZINC000044299861 506831247 /nfs/dbraw/zinc/83/12/47/506831247.db2.gz SHEREHCCEFJILH-NSHDSACASA-N -1 3 373.883 2.783 10 0 FFAEHM Cc1ccccc1[C@H](C)NC(=O)CCn1[n-]c(=O)c2ccccc2c1=O ZINC000022976830 507323377 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Cn1ccnc1[C@@H](O)[C@@H]1CCCN(C(=O)c2ccc3c(c2[O-])CCCC3)C1 ZINC000183344473 509727696 /nfs/dbraw/zinc/72/76/96/509727696.db2.gz DNGBDYFIFDLNRQ-QAPCUYQASA-N -1 3 369.465 2.590 10 0 FFAEHM C[C@H](NC(=O)c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1)c1cccc(Cl)c1 ZINC000176933198 509773864 /nfs/dbraw/zinc/77/38/64/509773864.db2.gz HWPUVGXSORYGIM-WLRWDXFRSA-N -1 3 371.824 2.886 10 0 FFAEHM Cc1ccc(C(=O)NCCC(=O)Nc2cccc(-c3ncon3)c2)c([O-])c1 ZINC000170830660 509798631 /nfs/dbraw/zinc/79/86/31/509798631.db2.gz ZQXUPOGOYUKZCR-UHFFFAOYSA-N -1 3 366.377 2.509 10 0 FFAEHM CC(C)N1C[C@@H](C)[C@@H]([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)C1 ZINC000173884658 509834831 /nfs/dbraw/zinc/83/48/31/509834831.db2.gz NIGYHBOECJOOTN-MFKMUULPSA-N -1 3 368.396 2.852 10 0 FFAEHM CC(C)(C)OC(=O)[C@@H]1CCN([C@@H](C(=O)[O-])c2cc3ccccc3[nH]2)[C@H](N)C1 ZINC000255004199 509913562 /nfs/dbraw/zinc/91/35/62/509913562.db2.gz SOFZLINMLZKSCE-XOKHGSTOSA-N -1 3 373.453 2.632 10 0 FFAEHM CCCCOc1ccc(C(=O)N[C@@H]2CCCN(c3cccnn3)C2)c([O-])c1 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/nfs/dbraw/zinc/08/23/69/509082369.db2.gz JVGNDAOSMHNKTE-OAHLLOKOSA-N -1 3 369.465 2.574 10 0 FFAEHM O=S(=O)(Cc1ncc(-c2ccccc2Cl)o1)c1nc(C2CC2)n[n-]1 ZINC000172870721 509283004 /nfs/dbraw/zinc/28/30/04/509283004.db2.gz KZVVCXOFPAGPMS-UHFFFAOYSA-N -1 3 364.814 2.964 10 0 FFAEHM O=S(=O)(Cc1ncc(-c2ccccc2Cl)o1)c1nnc(C2CC2)[n-]1 ZINC000172870721 509283005 /nfs/dbraw/zinc/28/30/05/509283005.db2.gz KZVVCXOFPAGPMS-UHFFFAOYSA-N -1 3 364.814 2.964 10 0 FFAEHM CCc1nc(C2([N-]S(=O)(=O)Cc3ccccc3F)CCCC2)no1 ZINC000177607373 510158399 /nfs/dbraw/zinc/15/83/99/510158399.db2.gz HBPXGGZVZYHMPK-UHFFFAOYSA-N -1 3 353.419 2.660 10 0 FFAEHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1cccc(C)c1F)c1ccccc1 ZINC000181193335 510294798 /nfs/dbraw/zinc/29/47/98/510294798.db2.gz DIAYFSOWADZULC-CQSZACIVSA-N -1 3 351.399 2.717 10 0 FFAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2ccc(C(C)C)cc2)cn1 ZINC000184751675 510499986 /nfs/dbraw/zinc/49/99/86/510499986.db2.gz KNSKUVQTCANWCD-ZDUSSCGKSA-N -1 3 361.467 2.604 10 0 FFAEHM CCOC(=O)[C@H](NC(=O)c1ccc2n[n-]nc2c1)c1ccc(Cl)cc1 ZINC000194763059 510516276 /nfs/dbraw/zinc/51/62/76/510516276.db2.gz JZBFVLJUZFEWLT-OAHLLOKOSA-N -1 3 358.785 2.646 10 0 FFAEHM CCc1nnc([C@@H]2CN(Cc3cc([O-])cc(C(F)(F)F)c3)CCO2)o1 ZINC000291539706 511237719 /nfs/dbraw/zinc/23/77/19/511237719.db2.gz LDVOFJDZYIRENV-ZDUSSCGKSA-N -1 3 357.332 2.930 10 0 FFAEHM Cc1nnc([N-]C(=O)c2sccc2I)s1 ZINC000307222206 511765852 /nfs/dbraw/zinc/76/58/52/511765852.db2.gz JJOFCHVYBBYVOS-UHFFFAOYSA-N -1 3 351.194 2.765 10 0 FFAEHM Cn1c2c(nc1[C@H]1CCCN1C(=O)c1ccc3n[n-]nc3c1)CCCC2 ZINC000284591917 511784331 /nfs/dbraw/zinc/78/43/31/511784331.db2.gz KQPXRSYJQKNYPW-QGZVFWFLSA-N -1 3 350.426 2.548 10 0 FFAEHM C[C@@H]1CN2CCCC[C@H]2CN1C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000408150234 513009543 /nfs/dbraw/zinc/00/95/43/513009543.db2.gz PLIAYHJHMXGFTI-YPMHNXCESA-N -1 3 361.392 2.505 10 0 FFAEHM COC(=O)c1c([O-])ccc(Br)c1I ZINC000575712054 518251974 /nfs/dbraw/zinc/25/19/74/518251974.db2.gz DBKLNTLCFQASTC-UHFFFAOYSA-N -1 3 356.941 2.546 10 0 FFAEHM Cc1nc([C@@H]2CCCN2C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)cs1 ZINC000186900343 729370190 /nfs/dbraw/zinc/37/01/90/729370190.db2.gz NGMRZMCLCWVELO-AWEZNQCLSA-N -1 3 356.407 2.704 10 0 FFAEHM CC1(C)C=Cc2c(cc([O-])c3c2O[C@@H](c2ccc(O)cc2)[C@@H](O)C3=O)O1 ZINC000014887157 220135253 /nfs/dbraw/zinc/13/52/53/220135253.db2.gz CXIZZLWYTVCYIE-ROUUACIJSA-N -1 3 354.358 2.959 10 0 biogenic FFAEHM CCC1CCC(NC(=O)N2CCN(C(=O)c3cccc([O-])c3)CC2)CC1 ZINC000101607729 250082425 /nfs/dbraw/zinc/08/24/25/250082425.db2.gz DVXNXRPKSADFIB-UHFFFAOYSA-N -1 3 359.470 2.828 10 0 FFAEHM O=C(CCC1CCOCC1)N=c1cc2ccc(Br)cn2[n-]1 ZINC000328758893 258119986 /nfs/dbraw/zinc/11/99/86/258119986.db2.gz WALDKVSZMOUQEX-UHFFFAOYSA-N -1 3 352.232 2.664 10 0 FFAEHM CC(C)[C@@H]1N(C(=O)c2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)C[C@]12CCCO2 ZINC000329454897 258139110 /nfs/dbraw/zinc/13/91/10/258139110.db2.gz MUEYOAZYDXFFFS-CWFSZBLJSA-N -1 3 371.437 2.816 10 0 FFAEHM O=C(C[N-]S(=O)(=O)c1cccs1)Nc1cc(Cl)ccc1Cl ZINC000016084606 507072191 /nfs/dbraw/zinc/07/21/91/507072191.db2.gz MEUFKIFIDGFRNN-UHFFFAOYSA-N -1 3 365.263 2.972 10 0 FFAEHM CC(=O)Oc1cc([O-])c2c(c1)O[C@H](c1ccccc1)[C@@H](OC(C)=O)C2=O ZINC000096023669 508203247 /nfs/dbraw/zinc/20/32/47/508203247.db2.gz JHHPBJCBJRYFGP-MOPGFXCFSA-N -1 3 356.330 2.566 10 0 biogenic FFAEHM COc1ccc([O-])c(C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)c1 ZINC000123423459 508684066 /nfs/dbraw/zinc/68/40/66/508684066.db2.gz UVZMPDRXIVSIMN-UHFFFAOYSA-N -1 3 360.454 2.656 10 0 FFAEHM CCOc1ccccc1C(F)(F)C(=O)[N-][C@H]1CCCn2nc(CC)nc21 ZINC000153991081 508693864 /nfs/dbraw/zinc/69/38/64/508693864.db2.gz WFLOWZPPQWVCPL-ZDUSSCGKSA-N -1 3 364.396 2.982 10 0 FFAEHM COc1cc(Cl)c(S(=O)(=O)[N-][C@H]2CCCC[C@H]2O)cc1Cl ZINC000158538320 508719058 /nfs/dbraw/zinc/71/90/58/508719058.db2.gz WDGZLDXGNAHAIJ-WDEREUQCSA-N -1 3 354.255 2.584 10 0 FFAEHM Cn1ncc2c1ncc(C(=O)N1CCC[C@](C)(c3ccccc3)C1)c2[O-] ZINC000119251114 508757400 /nfs/dbraw/zinc/75/74/00/508757400.db2.gz XOGWRKGFUJDMPY-FQEVSTJZSA-N -1 3 350.422 2.868 10 0 FFAEHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000125397273 508977361 /nfs/dbraw/zinc/97/73/61/508977361.db2.gz YRVTUNOETJNDSR-INIZCTEOSA-N -1 3 353.353 2.908 10 0 FFAEHM Cc1cnc([C@@H](C)[N-]S(=O)(=O)c2ccc(F)cc2Br)o1 ZINC000226555823 509400399 /nfs/dbraw/zinc/40/03/99/509400399.db2.gz XSFJBYKPSGKQQK-MRVPVSSYSA-N -1 3 363.208 2.924 10 0 FFAEHM CCn1cnnc1[C@H]1CCCN(C(=O)c2ccc3c(c2[O-])CCCC3)C1 ZINC000186179713 509562143 /nfs/dbraw/zinc/56/21/43/509562143.db2.gz JLIDDHZOTLTHGV-HNNXBMFYSA-N -1 3 354.454 2.902 10 0 FFAEHM C[C@@H](CN(C)Cc1ccccc1)NC(=O)CSc1n[n-]c(=S)s1 ZINC000179722345 509589819 /nfs/dbraw/zinc/58/98/19/509589819.db2.gz GVOZADVMBAWFCY-NSHDSACASA-N -1 3 368.553 2.556 10 0 FFAEHM CC(C)c1nc2n(n1)C[C@@H](NC(=O)c1cc([O-])ccc1C(F)(F)F)CC2 ZINC000193510451 509945784 /nfs/dbraw/zinc/94/57/84/509945784.db2.gz ZKJRLUQOMBCELL-JTQLQIEISA-N -1 3 368.359 2.871 10 0 FFAEHM CCc1nc(C2([N-]S(=O)(=O)Cc3ccc(C)c(F)c3)CCCC2)no1 ZINC000184180388 510178105 /nfs/dbraw/zinc/17/81/05/510178105.db2.gz MTSMMWKSDWECKN-UHFFFAOYSA-N -1 3 367.446 2.968 10 0 FFAEHM Cc1ccc(C(=O)NCCC(=O)N[C@@H](C)COCc2ccccc2)c([O-])c1 ZINC000174588952 510195358 /nfs/dbraw/zinc/19/53/58/510195358.db2.gz NXLVRGCJNVVNAO-INIZCTEOSA-N -1 3 370.449 2.542 10 0 FFAEHM CCN1CCC[C@@H]1CN(C)C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000194252803 510279262 /nfs/dbraw/zinc/27/92/62/510279262.db2.gz UZDIHYJYPIMLQP-OAHLLOKOSA-N -1 3 362.861 2.788 10 0 FFAEHM CC[C@H]1CN2CCC[C@H]2CN1C(=O)c1nn(-c2ccc(F)cc2C)cc1[O-] ZINC000246306863 510417196 /nfs/dbraw/zinc/41/71/96/510417196.db2.gz CFLLVSHSHQPOOU-HOTGVXAUSA-N -1 3 372.444 2.724 10 0 FFAEHM Cc1nnc([C@@H]([N-]C(=O)C(F)(F)c2ncccc2C)c2ccccc2)[nH]1 ZINC000194551883 510420410 /nfs/dbraw/zinc/42/04/10/510420410.db2.gz BHMVPASLISTYMZ-AWEZNQCLSA-N -1 3 357.364 2.814 10 0 FFAEHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)[C@H]2C[C@H]2C2CCCCC2)CC1 ZINC000175305111 510579066 /nfs/dbraw/zinc/57/90/66/510579066.db2.gz VXYLGKOKGHVMBN-OALUTQOASA-N -1 3 356.466 2.893 10 0 FFAEHM CCc1ccc(C(=O)N2CCCN(Cc3noc(C4CC4)n3)CC2)c([O-])c1 ZINC000191698337 510791297 /nfs/dbraw/zinc/79/12/97/510791297.db2.gz PKVADSDLMPRSEX-UHFFFAOYSA-N -1 3 370.453 2.563 10 0 FFAEHM Cc1ccc(-c2cnccn2)cc1-n1c([O-])c(CC(F)(F)F)[nH]c1=O ZINC000370563643 512994836 /nfs/dbraw/zinc/99/48/36/512994836.db2.gz LTKRJKTYQFDLAQ-NSHDSACASA-N -1 3 350.300 2.829 10 0 FFAEHM C[C@H]1CN(C(=O)c2c[n-]c3ccc(Br)cc3c2=O)CCS1 ZINC000408351493 513050473 /nfs/dbraw/zinc/05/04/73/513050473.db2.gz FOTGAYDNNIMTKP-VIFPVBQESA-N -1 3 367.268 2.868 10 0 FFAEHM O=C(c1cc2c(cc1[O-])CCCC2)N1CCOC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000408409271 513061480 /nfs/dbraw/zinc/06/14/80/513061480.db2.gz WCBSOYNXIGLYRG-UHOSZYNNSA-N -1 3 359.466 2.663 10 0 FFAEHM CC(C)(C)OC(=O)[C@@H]1CCN([C@H](C(=O)[O-])c2cc3ccccc3o2)[C@H](N)C1 ZINC000090624495 518852621 /nfs/dbraw/zinc/85/26/21/518852621.db2.gz UTMJURDXNNRIHO-COXVUDFISA-N -1 3 374.437 2.897 10 0 FFAEHM C[C@H](CN(C)C(=O)N[C@H]1CCCCCN(Cc2ccccc2)C1)C(=O)[O-] ZINC000635520970 522333184 /nfs/dbraw/zinc/33/31/84/522333184.db2.gz LFAPFQHJNFVZKF-AEFFLSMTSA-N -1 3 361.486 2.793 10 0 FFAEHM O=C1CCC(=O)N1c1ccccc1[N-]S(=O)(=O)/C=C\c1ccccc1 ZINC000255329564 729636669 /nfs/dbraw/zinc/63/66/69/729636669.db2.gz VJMAZKCAIOFBMB-SEYXRHQNSA-N -1 3 356.403 2.753 10 0 FFAEHM C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)NCC(C)(C)CC(=O)[O-] ZINC000720897346 978079233 /nfs/dbraw/zinc/07/92/33/978079233.db2.gz ZCFMDOWFIZPEQY-MRXNPFEDSA-N -1 3 361.486 2.793 10 0 FFAEHM CN(C(=O)NCC(C)(C)CC(=O)[O-])[C@H]1CCCN(Cc2ccccc2)C1 ZINC000720909170 978082579 /nfs/dbraw/zinc/08/25/79/978082579.db2.gz WAZOIOSFURSMRM-KRWDZBQOSA-N -1 3 361.486 2.793 10 0 FFAEHM CCOC(=O)c1sc2[n-]c(=O)n(-c3cccc(Cl)c3)c(=O)c2c1C ZINC000020100196 211267232 /nfs/dbraw/zinc/26/72/32/211267232.db2.gz LTTFNWLYVOIVFC-UHFFFAOYSA-N -1 3 364.810 2.879 10 0 FFAEHM COc1ccc(C(=O)N2CCCC[C@@H]2c2nnc3n2CCCC3)c([O-])c1 ZINC000092424633 249986425 /nfs/dbraw/zinc/98/64/25/249986425.db2.gz VJXLDFWCKVIQSH-OAHLLOKOSA-N -1 3 356.426 2.696 10 0 FFAEHM COc1cc(C(=O)N2CCC[C@H]2c2c(C)nn(C)c2C)cc(OC)c1[O-] ZINC000153052626 251095343 /nfs/dbraw/zinc/09/53/43/251095343.db2.gz VCSCPMDWQRPKIP-AWEZNQCLSA-N -1 3 359.426 2.737 10 0 FFAEHM Cc1nc(S(=O)(=O)Cc2nnc(C(C)C)n2C)[n-]c1-c1ccccc1 ZINC000186839922 251273482 /nfs/dbraw/zinc/27/34/82/251273482.db2.gz UBCCGNPOKVDTEO-UHFFFAOYSA-N -1 3 359.455 2.611 10 0 FFAEHM Cc1[n-]c(S(=O)(=O)Cc2nnc(C(C)C)n2C)nc1-c1ccccc1 ZINC000186839922 251273485 /nfs/dbraw/zinc/27/34/85/251273485.db2.gz UBCCGNPOKVDTEO-UHFFFAOYSA-N -1 3 359.455 2.611 10 0 FFAEHM CC1(C)C[C@@H]([N-]S(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)C(C)(C)O1 ZINC000252830779 251314090 /nfs/dbraw/zinc/31/40/90/251314090.db2.gz ROROBLYIIGNPAT-JCGVRSQUSA-N -1 3 357.516 2.647 10 0 FFAEHM O=C(C[C@@H]1CCCCNC1=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000328661379 258116972 /nfs/dbraw/zinc/11/69/72/258116972.db2.gz AENHCPXLPVNQOG-JTQLQIEISA-N -1 3 365.231 2.604 10 0 FFAEHM O=C(c1csc(=NC2CC2)[n-]1)N1CCN[C@H](c2cccc(Cl)c2)C1 ZINC000328678671 258117588 /nfs/dbraw/zinc/11/75/88/258117588.db2.gz MNMYVDRNGWSYRN-AWEZNQCLSA-N -1 3 362.886 2.579 10 0 FFAEHM CC(C)COC(=O)N1CCN(c2cc(-c3ccccc3[O-])ncn2)CC1 ZINC000035077744 506375453 /nfs/dbraw/zinc/37/54/53/506375453.db2.gz AFOCAXSJJPPVOK-UHFFFAOYSA-N -1 3 356.426 2.764 10 0 FFAEHM Cc1nc(C)c(CCC(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)c(=O)[n-]1 ZINC000012540905 506874734 /nfs/dbraw/zinc/87/47/34/506874734.db2.gz KNRACMSDAUXQAX-QGZVFWFLSA-N -1 3 365.437 2.559 10 0 FFAEHM C[C@@H](NC(=O)c1c[n-]c2ccccc2c1=O)c1ccc2c(c1)OCCO2 ZINC000025868384 507539524 /nfs/dbraw/zinc/53/95/24/507539524.db2.gz MMLLGEHDDYVILE-GFCCVEGCSA-N -1 3 350.374 2.790 10 0 FFAEHM Cc1noc(C)c1S(=O)(=O)[N-]CCc1nc(-c2ccccc2)oc1C ZINC000062576138 507675860 /nfs/dbraw/zinc/67/58/60/507675860.db2.gz YNZOBJCMWGIUCG-UHFFFAOYSA-N -1 3 361.423 2.776 10 0 FFAEHM O=C(c1nn(-c2ccccc2F)cc1[O-])N1CCCC[C@H](N2CCCC2)C1 ZINC000107779492 507866844 /nfs/dbraw/zinc/86/68/44/507866844.db2.gz GRWVFURBLLEFJH-HNNXBMFYSA-N -1 3 372.444 2.808 10 0 FFAEHM O=C(C[C@H](O)c1ccccc1)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000091031249 507944110 /nfs/dbraw/zinc/94/41/10/507944110.db2.gz DQCFTGVDIPNWLM-IBGZPJMESA-N -1 3 368.433 2.693 10 0 FFAEHM C[C@]1(C(=O)NCCNC(=O)c2ccc([O-])cc2)CCCc2ccccc21 ZINC000101644750 508251923 /nfs/dbraw/zinc/25/19/23/508251923.db2.gz MIVSXDCZCPAXGN-NRFANRHFSA-N -1 3 352.434 2.532 10 0 FFAEHM Cc1ccccc1[C@H](C)NC(=O)c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000157395822 508561523 /nfs/dbraw/zinc/56/15/23/508561523.db2.gz DQCXUFVYVOTCPA-RBZFPXEDSA-N -1 3 351.406 2.541 10 0 FFAEHM COCCN1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C[C@@H]1C ZINC000117425273 508597342 /nfs/dbraw/zinc/59/73/42/508597342.db2.gz MCPPUTJCVIPICL-KRWDZBQOSA-N -1 3 368.477 2.776 10 0 FFAEHM Cc1ccc([C@H](C)NC(=O)[C@@H](C)[N-]S(=O)(=O)c2cccs2)cc1F ZINC000131022292 508877864 /nfs/dbraw/zinc/87/78/64/508877864.db2.gz GBHOQPXQHHDVPP-NWDGAFQWSA-N -1 3 370.471 2.740 10 0 FFAEHM CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000248243223 509262683 /nfs/dbraw/zinc/26/26/83/509262683.db2.gz FTWLLCWCOGEAKA-KOLCDFICSA-N -1 3 369.347 2.607 10 0 FFAEHM CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000248243223 509262691 /nfs/dbraw/zinc/26/26/91/509262691.db2.gz FTWLLCWCOGEAKA-KOLCDFICSA-N -1 3 369.347 2.607 10 0 FFAEHM Cn1ncc2c1ncc(C(=O)N1CCO[C@@H](c3ccc(Cl)cc3)C1)c2[O-] ZINC000179442251 509445063 /nfs/dbraw/zinc/44/50/63/509445063.db2.gz XTMIWZHKVWDHLJ-OAHLLOKOSA-N -1 3 372.812 2.541 10 0 FFAEHM Cc1cc(=O)[n-]c([C@H](C)N2C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]3C2)n1 ZINC000248715528 509449175 /nfs/dbraw/zinc/44/91/75/509449175.db2.gz DSNZJMLXYYQXSS-BYNSBNAKSA-N -1 3 362.474 2.787 10 0 FFAEHM COc1ccccc1C[C@@H]1CCCN1C(=O)c1cnc2c(cnn2C)c1[O-] ZINC000179462567 509456023 /nfs/dbraw/zinc/45/60/23/509456023.db2.gz JZFNQUZOLVVGBD-AWEZNQCLSA-N -1 3 366.421 2.530 10 0 FFAEHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N1CCCC[C@@H]1c1nccs1 ZINC000177023910 509823618 /nfs/dbraw/zinc/82/36/18/509823618.db2.gz RRPFDHYGUNWNMF-CYBMUJFWSA-N -1 3 356.407 2.786 10 0 FFAEHM C[C@@H]1CN(C2CCN(C(=O)c3ccc(C(F)(F)F)cc3[O-])CC2)CCO1 ZINC000180411190 509912209 /nfs/dbraw/zinc/91/22/09/509912209.db2.gz GATQIRLNKHJQME-GFCCVEGCSA-N -1 3 372.387 2.736 10 0 FFAEHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H]3C[C@@H]3C)ccc2C)cc1 ZINC000171065527 509918347 /nfs/dbraw/zinc/91/83/47/509918347.db2.gz MEOSASWAHWJGJB-SUMWQHHRSA-N -1 3 374.462 2.943 10 0 FFAEHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@@H]3C[C@@H]3C)c2)cc1 ZINC000171065480 509918532 /nfs/dbraw/zinc/91/85/32/509918532.db2.gz VTSLBJQTVHRYCO-SCLBCKFNSA-N -1 3 374.462 2.943 10 0 FFAEHM O=S(=O)(Cc1ccccc1C(F)(F)F)[N-][C@H]1Cc2ccccc2[C@@H]1O ZINC000178718648 510737710 /nfs/dbraw/zinc/73/77/10/510737710.db2.gz RWQULXHUPRJQMW-HOTGVXAUSA-N -1 3 371.380 2.783 10 0 FFAEHM C[C@]1(c2cccc(NC(=O)[C@@H]3C[C@H]3C3CCCCC3)c2)NC(=O)[N-]C1=O ZINC000247047152 510815213 /nfs/dbraw/zinc/81/52/13/510815213.db2.gz RUOKUPBAJHLDDK-RZQQEMMASA-N -1 3 355.438 2.896 10 0 FFAEHM COc1cc(Cc2nnn[n-]2)cc(Br)c1OCC(F)(F)F ZINC000408498938 513081796 /nfs/dbraw/zinc/08/17/96/513081796.db2.gz LVCADONDPQYXQW-UHFFFAOYSA-N -1 3 367.125 2.503 10 0 FFAEHM COc1cc(Cc2nn[n-]n2)cc(Br)c1OCC(F)(F)F ZINC000408498938 513081800 /nfs/dbraw/zinc/08/18/00/513081800.db2.gz LVCADONDPQYXQW-UHFFFAOYSA-N -1 3 367.125 2.503 10 0 FFAEHM O=C([O-])[C@]12CN(C(=O)N[C@@H]3CCN(Cc4ccccc4)C3)C[C@H]1CCCC2 ZINC000715786103 977785734 /nfs/dbraw/zinc/78/57/34/977785734.db2.gz BMHILBBDTPBSKJ-DBXWQHBBSA-N -1 3 371.481 2.547 10 0 FFAEHM C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000716165350 977808378 /nfs/dbraw/zinc/80/83/78/977808378.db2.gz OUVTWFJQLFRWMG-OWYHZJEWSA-N -1 3 358.482 2.904 10 0 FFAEHM O=c1[nH]c(-c2ccc([O-])cc2)nc2ccc(I)cc12 ZINC000035050257 210245429 /nfs/dbraw/zinc/24/54/29/210245429.db2.gz AYAUYOFZSHVAIF-UHFFFAOYSA-N -1 3 364.142 2.900 10 0 FFAEHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H]3CC(=O)Nc4ccccc43)c2)n1 ZINC000047317244 210191234 /nfs/dbraw/zinc/19/12/34/210191234.db2.gz MXOPJGOJDIJNRM-INIZCTEOSA-N -1 3 374.400 2.810 10 0 FFAEHM COc1cc(-c2cc(O)c3c(=O)c(OC)c(OC)c([O-])c-3o2)ccc1O ZINC000013660192 220081326 /nfs/dbraw/zinc/08/13/26/220081326.db2.gz CSDGLNFYKPCMSZ-UHFFFAOYSA-N -1 3 360.318 2.603 10 0 biogenic FFAEHM Cc1nc2ccc(S(=O)(=O)[N-][C@]3(C(F)(F)F)CCOC3)cc2s1 ZINC000330293476 258160894 /nfs/dbraw/zinc/16/08/94/258160894.db2.gz DSJUZYUIKVKCIG-GFCCVEGCSA-N -1 3 366.386 2.604 10 0 FFAEHM COc1cc2c(cc1[N-]S(=O)(=O)N1CCCCCC1)NC(=O)CC2 ZINC000329843778 258148697 /nfs/dbraw/zinc/14/86/97/258148697.db2.gz XLJIQFUCCAPJJP-UHFFFAOYSA-N -1 3 353.444 2.762 10 0 FFAEHM O=C(c1ccc(Br)cc1[O-])N1CCCC[C@H]1c1nnc[nH]1 ZINC000182102520 510759214 /nfs/dbraw/zinc/75/92/14/510759214.db2.gz NCVVFGFKDITWDH-NSHDSACASA-N -1 3 351.204 2.640 10 0 FFAEHM C[C@H]1OCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000282498348 511001146 /nfs/dbraw/zinc/00/11/46/511001146.db2.gz GEVRLTHXQVHVEL-GMSGAONNSA-N -1 3 354.653 2.558 10 0 FFAEHM Cc1nc2n(n1)CCC[C@H]2[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000081073886 508132556 /nfs/dbraw/zinc/13/25/56/508132556.db2.gz NCNFKFCMMFUJOW-LLVKDONJSA-N -1 3 361.254 2.707 10 0 FFAEHM O=C(NCc1ccc([O-])c(F)c1)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000156445920 508422103 /nfs/dbraw/zinc/42/21/03/508422103.db2.gz LSHVLJCHJAAAMC-VIFPVBQESA-N -1 3 357.307 2.695 10 0 FFAEHM Cc1cc(C)cc([C@H]2CCN(C(=O)c3cnc4c(cnn4C)c3[O-])C2)c1 ZINC000133773502 508447549 /nfs/dbraw/zinc/44/75/49/508447549.db2.gz PXHRHEYDCRRQRI-AWEZNQCLSA-N -1 3 350.422 2.920 10 0 FFAEHM Cn1ncc2c1ncc(C(=O)N[C@@H](c1nccs1)c1ccccc1)c2[O-] ZINC000119221066 508751627 /nfs/dbraw/zinc/75/16/27/508751627.db2.gz HPOJAUCKYSHLSX-CQSZACIVSA-N -1 3 365.418 2.650 10 0 FFAEHM Cc1cc(F)cc2c(=O)c(C(=O)N3CCC[C@@H]3c3cnn(C)c3)c[n-]c12 ZINC000132591999 509049672 /nfs/dbraw/zinc/04/96/72/509049672.db2.gz YGMAROBWFXTNIC-MRXNPFEDSA-N -1 3 354.385 2.686 10 0 FFAEHM CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000132937255 509094531 /nfs/dbraw/zinc/09/45/31/509094531.db2.gz ZYPGFJZAEMFQFG-UGSOOPFHSA-N -1 3 358.413 2.992 10 0 FFAEHM Cc1ccc(N2CCC([N-]S(=O)(=O)c3cc(F)cc(F)c3)CC2)nc1 ZINC000173209422 509456979 /nfs/dbraw/zinc/45/69/79/509456979.db2.gz KIFLYMHWGHGNFR-UHFFFAOYSA-N -1 3 367.421 2.616 10 0 FFAEHM O=C(NCc1ccc([O-])c(F)c1)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000183037513 509559890 /nfs/dbraw/zinc/55/98/90/509559890.db2.gz BEZNDYUJWSWJED-OAHLLOKOSA-N -1 3 373.432 2.896 10 0 FFAEHM Cc1cccc(C(=O)NC[C@H](c2cccs2)N2CCO[C@H](C)C2)c1[O-] ZINC000176595994 509602637 /nfs/dbraw/zinc/60/26/37/509602637.db2.gz LZYSVDCYOVCARF-GDBMZVCRSA-N -1 3 360.479 2.954 10 0 FFAEHM CCc1nc(C2([N-]S(=O)(=O)Cc3cccc(F)c3)CCCC2)no1 ZINC000177606884 510158226 /nfs/dbraw/zinc/15/82/26/510158226.db2.gz NAKBNADWLACGSN-UHFFFAOYSA-N -1 3 353.419 2.660 10 0 FFAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](C)c2ccc3ccccc3c2)cn1 ZINC000184765885 510506595 /nfs/dbraw/zinc/50/65/95/510506595.db2.gz VDYRCGJBPOABJO-CYBMUJFWSA-N -1 3 369.446 2.634 10 0 FFAEHM C[C@H]1CN([C@@H](C[N-]S(=O)(=O)c2cccs2)c2cccs2)CCO1 ZINC000175225656 510542091 /nfs/dbraw/zinc/54/20/91/510542091.db2.gz REROIRNCSWLSFK-STQMWFEESA-N -1 3 372.537 2.550 10 0 FFAEHM CN(CC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2ccccc2[O-])CC1 ZINC000191589894 510740532 /nfs/dbraw/zinc/74/05/32/510740532.db2.gz WOXWFSQTVKYPLG-OAHLLOKOSA-N -1 3 362.470 2.660 10 0 FFAEHM CC(C)(C)[C@H](O)C[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000324644514 511838396 /nfs/dbraw/zinc/83/83/96/511838396.db2.gz YLRKVDLQFFSQFJ-LLVKDONJSA-N -1 3 370.696 2.788 10 0 FFAEHM Cc1cc(C(=O)[O-])cc2c1[C@@H](N)C[C@@]1(CCN(C(=O)OC(C)(C)C)C1)O2 ZINC000725259896 570524093 /nfs/dbraw/zinc/52/40/93/570524093.db2.gz KGYAXRDQSDWYKR-ORAYPTAESA-N -1 3 362.426 2.855 10 0 FFAEHM CCOC(=O)[C@@H]([N-]S(=O)(=O)CCCCCl)c1ccc(Cl)cc1 ZINC000192990618 729465226 /nfs/dbraw/zinc/46/52/26/729465226.db2.gz ILGRDHLKBHYUNA-ZDUSSCGKSA-N -1 3 368.282 2.883 10 0 FFAEHM O=C([O-])C[C@H](CNC(=O)NC[C@H]1CCCCN1Cc1ccccc1)C1CC1 ZINC000690536045 976317891 /nfs/dbraw/zinc/31/78/91/976317891.db2.gz UHLVXKXECUKPFB-RTBURBONSA-N -1 3 373.497 2.841 10 0 FFAEHM O=C([O-])[C@]12CCC[C@H]1CN(Cc1cccc(I)c1)C2 ZINC000701517448 977021991 /nfs/dbraw/zinc/02/19/91/977021991.db2.gz KXWGBQJMHKYCHD-WFASDCNBSA-N -1 3 371.218 2.978 10 0 FFAEHM C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1F)c1ccc(-n2cncn2)cc1 ZINC000007701169 210092816 /nfs/dbraw/zinc/09/28/16/210092816.db2.gz RSNUNJRROZHGNW-LLVKDONJSA-N -1 3 364.377 2.585 10 0 FFAEHM C[C@]1(O)CCOC[C@@H]1[C@H]1CCCN1C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000285480524 256988075 /nfs/dbraw/zinc/98/80/75/256988075.db2.gz RZRFVHGHXRNWBH-OPYAIIAOSA-N -1 3 359.466 2.663 10 0 FFAEHM CC1(C)Cc2ccc(C(=O)Nc3ccc(N4CCOCC4)nc3)c([O-])c2O1 ZINC000333063281 258247605 /nfs/dbraw/zinc/24/76/05/258247605.db2.gz NMYBXZUHAXDCGX-UHFFFAOYSA-N -1 3 369.421 2.590 10 0 FFAEHM Cc1nnc([C@H]2CCCCN2C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)[nH]1 ZINC000333111071 258250595 /nfs/dbraw/zinc/25/05/95/258250595.db2.gz XPHMXPZLPFHAAZ-CQSZACIVSA-N -1 3 356.426 2.900 10 0 FFAEHM CCc1cc2c(CN3CC[C@H](c4cnn(C)c4)C3)cc(=O)oc2cc1[O-] ZINC000116311519 508496660 /nfs/dbraw/zinc/49/66/60/508496660.db2.gz YYFINSOHZUGNFW-AWEZNQCLSA-N -1 3 353.422 2.784 10 0 FFAEHM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1cnc2c(cnn2C)c1[O-] ZINC000119271206 508761914 /nfs/dbraw/zinc/76/19/14/508761914.db2.gz FPIZQZZDKYXTCG-YPMHNXCESA-N -1 3 354.385 2.831 10 0 FFAEHM O=C(N[C@H]1CCCN(c2cccnn2)C1)c1cc([O-])ccc1C(F)(F)F ZINC000189041086 509384232 /nfs/dbraw/zinc/38/42/32/509384232.db2.gz BESMPLACXOZZCQ-NSHDSACASA-N -1 3 366.343 2.600 10 0 FFAEHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(Br)c1)[C@H]1CCCO1 ZINC000192187083 509393722 /nfs/dbraw/zinc/39/37/22/509393722.db2.gz UDEDGLRNRPVDJU-PRHODGIISA-N -1 3 368.680 2.948 10 0 FFAEHM Cc1cccc2c(=O)c(C(=O)N[C@H](C)c3nnc4n3CCCC4)c[n-]c12 ZINC000164994596 509550420 /nfs/dbraw/zinc/55/04/20/509550420.db2.gz GYAAPDWMBRWDFP-GFCCVEGCSA-N -1 3 351.410 2.668 10 0 FFAEHM Cc1cc(=O)[n-]c([C@H](C)N2C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)n1 ZINC000192783752 509643642 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C[C@H](NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)c1cccc(Br)c1 ZINC000104142358 508328657 /nfs/dbraw/zinc/32/86/57/508328657.db2.gz OOZWZRCGFOWQJN-VIFPVBQESA-N -1 3 373.206 2.824 10 0 FFAEHM Cn1ncc2c1ncc(C(=O)N1CC[C@H](Oc3cccc(Cl)c3)C1)c2[O-] ZINC000119443067 508796912 /nfs/dbraw/zinc/79/69/12/508796912.db2.gz PLEVFVKFMXKOAK-ZDUSSCGKSA-N -1 3 372.812 2.621 10 0 FFAEHM C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C1CC2(C1)NC(=O)[N-]C2=O ZINC000154972514 508894850 /nfs/dbraw/zinc/89/48/50/508894850.db2.gz YJAVGWLUEVRYTJ-PAEJTOOSSA-N -1 3 370.236 2.501 10 0 FFAEHM Cn1ccnc1C[C@@H]1CCCN(C(=O)c2c([O-])cnc3ccccc32)C1 ZINC000150923472 508923261 /nfs/dbraw/zinc/92/32/61/508923261.db2.gz BRZFWDXHTIPUIS-AWEZNQCLSA-N -1 3 350.422 2.769 10 0 FFAEHM COc1ccc([C@@H]2CCCN2C(=O)c2cnc3c(cnn3C)c2[O-])cc1 ZINC000179398693 509421397 /nfs/dbraw/zinc/42/13/97/509421397.db2.gz GTPJYBRACHKJBM-INIZCTEOSA-N -1 3 352.394 2.660 10 0 FFAEHM Cc1ccc(NC(=O)[C@@H]2CCCN([C@H](C)c3nc(C)cc(=O)[n-]3)C2)nc1 ZINC000248713275 509448182 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10 0 FFAEHM CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000174210254 510003420 /nfs/dbraw/zinc/00/34/20/510003420.db2.gz HGAMQSKVMATWIS-QWHCGFSZSA-N -1 3 352.406 2.841 10 0 FFAEHM C[C@](O)(C[N-]S(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C)C1CCCCC1 ZINC000190367697 510088993 /nfs/dbraw/zinc/08/89/93/510088993.db2.gz KIEAXCVOVWXSGC-SNRMKQJTSA-N -1 3 371.543 2.633 10 0 FFAEHM COCCOc1ccc(F)cc1S(=O)(=O)[N-][C@H](C)c1ccc(C)o1 ZINC000190461318 510142997 /nfs/dbraw/zinc/14/29/97/510142997.db2.gz NUMHUAHIJHTUOE-GFCCVEGCSA-N -1 3 357.403 2.792 10 0 FFAEHM Cc1c([O-])ccc2c(CN3CCO[C@H](c4nccs4)C3)cc(=O)oc12 ZINC000171666816 510294504 /nfs/dbraw/zinc/29/45/04/510294504.db2.gz PYJQNQAVQKPVBV-HNNXBMFYSA-N -1 3 358.419 2.837 10 0 FFAEHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc4c(c3)NC(=O)C4)c2)n1 ZINC000190707831 510298115 /nfs/dbraw/zinc/29/81/15/510298115.db2.gz IZLDECDRMHSHIS-UHFFFAOYSA-N -1 3 374.400 2.746 10 0 FFAEHM CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(=O)Nc2nnc(-c3ccco3)[n-]2)C1 ZINC000175225537 510542022 /nfs/dbraw/zinc/54/20/22/510542022.db2.gz IXOCHXCNLCYMPH-GHMZBOCLSA-N -1 3 361.402 2.697 10 0 FFAEHM CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(=O)Nc2nc(-c3ccco3)n[n-]2)C1 ZINC000175225537 510542027 /nfs/dbraw/zinc/54/20/27/510542027.db2.gz IXOCHXCNLCYMPH-GHMZBOCLSA-N -1 3 361.402 2.697 10 0 FFAEHM CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(=O)Nc2n[n-]c(-c3ccco3)n2)C1 ZINC000175225537 510542034 /nfs/dbraw/zinc/54/20/34/510542034.db2.gz IXOCHXCNLCYMPH-GHMZBOCLSA-N -1 3 361.402 2.697 10 0 FFAEHM CO[C@@H]1CCC[C@@H]1[C@H]1COCCN1C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000284818631 511883636 /nfs/dbraw/zinc/88/36/36/511883636.db2.gz ADIXUSQBIIHVKH-YVWKXTFCSA-N -1 3 359.466 2.927 10 0 FFAEHM C[C@@H]1N(C(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)CCC12CCOCC2 ZINC000408157065 513010834 /nfs/dbraw/zinc/01/08/34/513010834.db2.gz GUIPKTZPYUHHMN-NSHDSACASA-N -1 3 362.376 2.838 10 0 FFAEHM COC(=O)c1c([O-])cc(Br)cc1I ZINC000575713130 518253422 /nfs/dbraw/zinc/25/34/22/518253422.db2.gz WMEDEDXBVOLTRE-UHFFFAOYSA-N -1 3 356.941 2.546 10 0 FFAEHM CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000724048876 944642113 /nfs/dbraw/zinc/64/21/13/944642113.db2.gz PEASGQSWMNDYKM-SWLSCSKDSA-N -1 3 358.446 2.972 10 0 FFAEHM CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000724048876 944642120 /nfs/dbraw/zinc/64/21/20/944642120.db2.gz PEASGQSWMNDYKM-SWLSCSKDSA-N -1 3 358.446 2.972 10 0 FFAEHM Cc1ccc2c([O-])c(C(=O)N3CCc4c(nc(C(C)C)n4C)C3)cnc2n1 ZINC000112725615 960135124 /nfs/dbraw/zinc/13/51/24/960135124.db2.gz FEZGZGPRFWQTGD-UHFFFAOYSA-N -1 3 365.437 2.699 10 0 FFAEHM C[C@@H]1[C@H](NC(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)CCN1Cc1ccccc1 ZINC000701585632 977027045 /nfs/dbraw/zinc/02/70/45/977027045.db2.gz UFEOXXHJUIMUNQ-HVSHLEFESA-N -1 3 371.481 2.546 10 0 FFAEHM CC1(C)C=Cc2c(cc([O-])c3c2O[C@H](c2ccc(O)cc2)[C@H](O)C3=O)O1 ZINC000014887147 206312631 /nfs/dbraw/zinc/31/26/31/206312631.db2.gz CXIZZLWYTVCYIE-QZTJIDSGSA-N -1 3 354.358 2.959 10 0 biogenic FFAEHM COc1cccc(N2CC[C@H](C[N-]S(=O)(=O)c3cccs3)C2)c1 ZINC000102414647 250109318 /nfs/dbraw/zinc/10/93/18/250109318.db2.gz LCQJYJCSUKTLKT-CYBMUJFWSA-N -1 3 352.481 2.562 10 0 FFAEHM C[C@H]1OCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1 ZINC000330225597 258159116 /nfs/dbraw/zinc/15/91/16/258159116.db2.gz TYUFQMJORBVVST-RISCZKNCSA-N -1 3 359.875 2.975 10 0 FFAEHM C[C@H]1CC[C@H](CCC(=O)N=c2cc3ccc(Br)cn3[n-]2)O1 ZINC000328757671 258120061 /nfs/dbraw/zinc/12/00/61/258120061.db2.gz VEQIXQCKQRKHEZ-GXFFZTMASA-N -1 3 352.232 2.805 10 0 FFAEHM C[C@H]1Oc2ccccc2[C@H]1[N-]S(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C ZINC000329357963 258136346 /nfs/dbraw/zinc/13/63/46/258136346.db2.gz ASJRQAMXRBZRTL-RLHHIGHOSA-N -1 3 363.479 2.823 10 0 FFAEHM O=C1[C@H]([N-]S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)CCN1c1ccccc1Cl ZINC000333092050 258249317 /nfs/dbraw/zinc/24/93/17/258249317.db2.gz BDMKLLNODAJEBU-FAXLKDOZSA-N -1 3 368.886 2.553 10 0 FFAEHM O=S(=O)([N-][C@@H]1CCC[C@H](O)C1)c1ccc(Br)cc1Cl ZINC000040447140 506485277 /nfs/dbraw/zinc/48/52/77/506485277.db2.gz ABVVJTYTNDSWDD-ZJUUUORDSA-N -1 3 368.680 2.684 10 0 FFAEHM COc1cc(C[C@@H]2COc3c(C)c([O-])c(C)c(O)c3C2=O)cc(OC)c1O ZINC000013485146 506943404 /nfs/dbraw/zinc/94/34/04/506943404.db2.gz JYKPEDLHLKPUKC-GFCCVEGCSA-N -1 3 374.389 2.871 10 0 FFAEHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1F)c1ccccc1 ZINC000070826280 507644834 /nfs/dbraw/zinc/64/48/34/507644834.db2.gz ULPXXGXXVCOJFB-CQSZACIVSA-N -1 3 355.362 2.548 10 0 FFAEHM COc1cc([O-])c(OC)c(Br)c1I ZINC000072232961 507770837 /nfs/dbraw/zinc/77/08/37/507770837.db2.gz UJCWNCAASGHMOY-UHFFFAOYSA-N -1 3 358.957 2.777 10 0 FFAEHM CCCO[C@@H]1CCCN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])CC1 ZINC000108461776 507895446 /nfs/dbraw/zinc/89/54/46/507895446.db2.gz VXEXGKXVTGEBCP-AEFFLSMTSA-N -1 3 374.481 2.805 10 0 FFAEHM O=C(N[C@@H]1CCCn2ncnc21)c1cc(OCc2ccccc2)ccc1[O-] ZINC000092425924 508070124 /nfs/dbraw/zinc/07/01/24/508070124.db2.gz NXUJRHGPSOZMAQ-QGZVFWFLSA-N -1 3 364.405 2.828 10 0 FFAEHM O=C(Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)[C@H]1CNC(=O)C1 ZINC000093095048 508120717 /nfs/dbraw/zinc/12/07/17/508120717.db2.gz KCXYOSYLOWCFIB-SNVBAGLBSA-N -1 3 353.403 2.744 10 0 FFAEHM CC(C)C(=O)C[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000086515975 508327640 /nfs/dbraw/zinc/32/76/40/508327640.db2.gz SHAYLDCVMMYAMX-UHFFFAOYSA-N -1 3 354.653 2.606 10 0 FFAEHM O=C(Cc1cccs1)[N-]n1nc(C(F)(F)F)c2ccccc2c1=O ZINC000117115418 508579933 /nfs/dbraw/zinc/57/99/33/508579933.db2.gz WRBHYCBYXYXAQT-UHFFFAOYSA-N -1 3 353.325 2.790 10 0 FFAEHM Cc1nc(C)c(CCC(=O)N[C@@H](Cc2ccccc2)C(F)(F)F)c(=O)[n-]1 ZINC000128835212 508649230 /nfs/dbraw/zinc/64/92/30/508649230.db2.gz CBQBQFMMDXINJK-HNNXBMFYSA-N -1 3 367.371 2.609 10 0 FFAEHM Cc1nc2n(n1)CCC[C@H]2[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000123451203 508689500 /nfs/dbraw/zinc/68/95/00/508689500.db2.gz ZFWVVRPOSKVGNN-GFCCVEGCSA-N -1 3 358.826 2.501 10 0 FFAEHM O=c1[n-]c(CN2CC[C@]3(O)CCCC[C@@H]3C2)nc2c3ccccc3oc21 ZINC000140386850 508804211 /nfs/dbraw/zinc/80/42/11/508804211.db2.gz JQIJNQGKTPHZCB-ZUOKHONESA-N -1 3 353.422 2.796 10 0 FFAEHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2CCCc3cc(F)ccc32)oc1C ZINC000119576490 508821270 /nfs/dbraw/zinc/82/12/70/508821270.db2.gz NDKDQDKQFKUCMX-OAHLLOKOSA-N -1 3 367.398 2.870 10 0 FFAEHM COc1cccc(C(=O)N2CCCC[C@H]2c2nnc3n2CCCC3)c1[O-] ZINC000132773996 509072847 /nfs/dbraw/zinc/07/28/47/509072847.db2.gz HNAOQHTWJPBMDJ-AWEZNQCLSA-N -1 3 356.426 2.696 10 0 FFAEHM CC(C)C[C@@H](C)S(=O)(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000156247580 509149915 /nfs/dbraw/zinc/14/99/15/509149915.db2.gz HPBMMVPEPIPZCC-CQSZACIVSA-N -1 3 368.499 2.807 10 0 FFAEHM CCC1CCC(NC(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)CC1 ZINC000121629460 509179694 /nfs/dbraw/zinc/17/96/94/509179694.db2.gz JNCIOUHDAXWEML-HSBZDZAISA-N -1 3 356.463 2.578 10 0 FFAEHM CCN1CCN(C[C@@H](C)CNC(=O)c2ccc(Cl)c(Cl)c2[O-])CC1 ZINC000163094247 509338778 /nfs/dbraw/zinc/33/87/78/509338778.db2.gz ZYIFTNKIAZVWSU-LBPRGKRZSA-N -1 3 374.312 2.702 10 0 FFAEHM Cc1cc(F)cc2c(=O)c(C(=O)N3CC[C@H](Oc4cccnc4)C3)c[n-]c12 ZINC000163533455 509388976 /nfs/dbraw/zinc/38/89/76/509388976.db2.gz IRGKMJGQRIBNMG-HNNXBMFYSA-N -1 3 367.380 2.664 10 0 FFAEHM Cn1ncc2c1ncc(C(=O)N1CCn3cccc3[C@@H]1c1ccccc1)c2[O-] ZINC000179447275 509448313 /nfs/dbraw/zinc/44/83/13/509448313.db2.gz KEFWMQDGDWKBPA-SFHVURJKSA-N -1 3 373.416 2.721 10 0 FFAEHM O=C(NC1CN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1)C1CC1 ZINC000189362663 509539870 /nfs/dbraw/zinc/53/98/70/509539870.db2.gz MIBGJBKTTILZCQ-UHFFFAOYSA-N -1 3 352.390 2.535 10 0 FFAEHM CN(C[C@H](O)COCc1ccccc1)C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000183010426 509545881 /nfs/dbraw/zinc/54/58/81/509545881.db2.gz CGHICHAUCJBYDN-SFHVURJKSA-N -1 3 369.461 2.921 10 0 FFAEHM C[C@@H]1CN(C2CCN(C(=O)c3ccc4c(c3[O-])CCCC4)CC2)CCO1 ZINC000186237712 509594018 /nfs/dbraw/zinc/59/40/18/509594018.db2.gz YLJWDFZEGWYVEZ-OAHLLOKOSA-N -1 3 358.482 2.596 10 0 FFAEHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000253556106 509898416 /nfs/dbraw/zinc/89/84/16/509898416.db2.gz FXTWFXMZMKFGIY-WBVHZDCISA-N -1 3 368.481 2.963 10 0 FFAEHM Cn1ncc2c1ncc(C(=O)N1CC[C@H](c3c(F)cccc3F)C1)c2[O-] ZINC000184029175 510094360 /nfs/dbraw/zinc/09/43/60/510094360.db2.gz NHVRYCGLIQKYRB-JTQLQIEISA-N -1 3 358.348 2.582 10 0 FFAEHM CCc1nc(C2([N-]S(=O)(=O)c3ccc(OC)c(F)c3)CCCC2)no1 ZINC000177607322 510159154 /nfs/dbraw/zinc/15/91/54/510159154.db2.gz AJLYAGONGOSOGM-UHFFFAOYSA-N -1 3 369.418 2.528 10 0 FFAEHM COc1cccc(C(=O)N2CCN(c3nc(C)cc(C(C)C)n3)CC2)c1[O-] ZINC000184147763 510160675 /nfs/dbraw/zinc/16/06/75/510160675.db2.gz ZDEHZQMLAOXGSZ-UHFFFAOYSA-N -1 3 370.453 2.585 10 0 FFAEHM C[C@@H]1c2ccccc2O[C@H]1C(=O)Nc1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000172103807 510545646 /nfs/dbraw/zinc/54/56/46/510545646.db2.gz ZHFFBDOQXKBGQU-QLJPJBMISA-N -1 3 364.398 2.700 10 0 FFAEHM O=c1[n-]nc(SC[C@@H]2CCC3(CCCCC3)O2)n1C[C@H]1CCCO1 ZINC000191734572 510807440 /nfs/dbraw/zinc/80/74/40/510807440.db2.gz SKDRQPSWILFYKR-KGLIPLIRSA-N -1 3 353.488 2.724 10 0 FFAEHM O=C(N[C@@H]1CCCC[C@@H]1CO)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000188626342 510847129 /nfs/dbraw/zinc/84/71/29/510847129.db2.gz UUOZYIZJUIPBNZ-IEBWSBKVSA-N -1 3 353.418 2.904 10 0 FFAEHM CCN1CCC[C@@H](Nc2c(C(=O)[O-])cnc3c(OC)cc(OC)cc32)C1 ZINC000565545858 519011352 /nfs/dbraw/zinc/01/13/52/519011352.db2.gz YEFAVNFOROKLQC-GFCCVEGCSA-N -1 3 359.426 2.846 10 0 FFAEHM CCCc1cc(N2CCN(CC(=O)[O-])CC2)nc(-c2cccc(Cl)c2)n1 ZINC000073685654 521368637 /nfs/dbraw/zinc/36/86/37/521368637.db2.gz WWUDDCVBNCGZCE-UHFFFAOYSA-N -1 3 374.872 2.956 10 0 FFAEHM CN(C(=O)NCC(C)(C)CC(=O)[O-])[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000720909171 978083076 /nfs/dbraw/zinc/08/30/76/978083076.db2.gz WAZOIOSFURSMRM-QGZVFWFLSA-N -1 3 361.486 2.793 10 0 FFAEHM CC1(C)C=Cc2c(cc([O-])c3c2O[C@H](c2ccc(O)cc2)[C@@H](O)C3=O)O1 ZINC000014887151 206313325 /nfs/dbraw/zinc/31/33/25/206313325.db2.gz CXIZZLWYTVCYIE-ZWKOTPCHSA-N -1 3 354.358 2.959 10 0 biogenic,in-vitro FFAEHM O=C(c1ccc2c(c1)C(=O)[N-]C2=O)N1CCC[C@@H]1Cc1cccc(F)c1 ZINC000104854305 250187330 /nfs/dbraw/zinc/18/73/30/250187330.db2.gz WQLGJVKNULEDSJ-OAHLLOKOSA-N -1 3 352.365 2.557 10 0 FFAEHM Cc1c([O-])ccc2c(CN3CCC(Nc4cccnn4)CC3)cc(=O)oc12 ZINC000106082291 250233699 /nfs/dbraw/zinc/23/36/99/250233699.db2.gz VXTNUISCPRDNAC-UHFFFAOYSA-N -1 3 366.421 2.674 10 0 FFAEHM O=C(CC[C@@H]1CCCCO1)N=c1cc2ccc(Br)cn2[n-]1 ZINC000328730767 258119128 /nfs/dbraw/zinc/11/91/28/258119128.db2.gz ICEYPRFKYKGTNE-ZDUSSCGKSA-N -1 3 352.232 2.807 10 0 FFAEHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000068600494 507281028 /nfs/dbraw/zinc/28/10/28/507281028.db2.gz CUDOIAMBWCHOCJ-RKDXNWHRSA-N -1 3 355.316 2.813 10 0 FFAEHM COc1cccc(C(=O)N2CCCN(Cc3csc(C)n3)CC2)c1[O-] ZINC000109649935 507975029 /nfs/dbraw/zinc/97/50/29/507975029.db2.gz MUXBGQGNZUOTGQ-UHFFFAOYSA-N -1 3 361.467 2.514 10 0 FFAEHM CCCn1cc(CN2CCCN(C(=O)c3cc(CC)ccc3[O-])CC2)cn1 ZINC000109665694 507978118 /nfs/dbraw/zinc/97/81/18/507978118.db2.gz HXACXEFJZKAANN-UHFFFAOYSA-N -1 3 370.497 2.909 10 0 FFAEHM C[C@H]1C[C@H]1NC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000075529632 508114256 /nfs/dbraw/zinc/11/42/56/508114256.db2.gz RVRYVHDJFIOVKO-JVXZTZIISA-N -1 3 363.266 2.572 10 0 FFAEHM Cc1cc(S(=O)(=O)[N-][C@@H](C)[C@H]2CCCO2)sc1Br ZINC000094442913 508171944 /nfs/dbraw/zinc/17/19/44/508171944.db2.gz FIFGSWCWJWOQRZ-DTWKUNHWSA-N -1 3 354.291 2.665 10 0 FFAEHM C[C@@]1(C(=O)NCCCNC(=O)c2cccc([O-])c2)CCCc2ccccc21 ZINC000102471256 508276127 /nfs/dbraw/zinc/27/61/27/508276127.db2.gz UVIIFSFHGHEZSD-JOCHJYFZSA-N -1 3 366.461 2.923 10 0 FFAEHM CC[C@H](O)CN1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1 ZINC000106403191 508400380 /nfs/dbraw/zinc/40/03/80/508400380.db2.gz HSGUYUCZWZFCPY-IBGZPJMESA-N -1 3 368.477 2.512 10 0 FFAEHM CC(=O)N[C@H]1CCCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000157327625 508552916 /nfs/dbraw/zinc/55/29/16/508552916.db2.gz JLKKBPCEEKWYQO-HNNXBMFYSA-N -1 3 354.406 2.925 10 0 FFAEHM CCn1cc(C2CCN(C(=O)c3c[n-]c4ccccc4c3=O)CC2)cn1 ZINC000123575810 508708713 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357.364 2.814 10 0 FFAEHM O=C(NCc1ccc([O-])c(Br)c1)N1CCCN(C2CC2)CC1 ZINC000178268023 510517930 /nfs/dbraw/zinc/51/79/30/510517930.db2.gz BXFCRKWWQCILJU-UHFFFAOYSA-N -1 3 368.275 2.534 10 0 FFAEHM C[C@@H]1c2ccccc2O[C@@H]1C(=O)Nc1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000172103801 510545447 /nfs/dbraw/zinc/54/54/47/510545447.db2.gz ZHFFBDOQXKBGQU-HWPZZCPQSA-N -1 3 364.398 2.700 10 0 FFAEHM Cc1ccc(C(=O)NC[C@@H](c2cccs2)N2CCO[C@@H](C)C2)c([O-])c1 ZINC000246628648 510592351 /nfs/dbraw/zinc/59/23/51/510592351.db2.gz AUDVIHQZAFXQKU-HOCLYGCPSA-N -1 3 360.479 2.954 10 0 FFAEHM C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000246925722 510750033 /nfs/dbraw/zinc/75/00/33/510750033.db2.gz OHALSRJHTFLZOC-SOKAGXEVSA-N -1 3 355.438 2.534 10 0 FFAEHM O=c1[n-]nc(SC[C@H]2CCC3(CCCCC3)O2)n1C[C@@H]1CCCO1 ZINC000191734528 510806483 /nfs/dbraw/zinc/80/64/83/510806483.db2.gz SKDRQPSWILFYKR-UONOGXRCSA-N -1 3 353.488 2.724 10 0 FFAEHM 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CCn1cnnc1[C@@H]1CCCN(Cc2cc(=O)oc3c(C)c([O-])ccc23)C1 ZINC000103477602 250154646 /nfs/dbraw/zinc/15/46/46/250154646.db2.gz MUPZKKIXBHRRHF-CQSZACIVSA-N -1 3 368.437 2.798 10 0 FFAEHM CCc1cc(=O)[n-]c(-c2ccc(N3CC[S@](=O)C(CC)(CC)C3)nc2)n1 ZINC000302225652 258096223 /nfs/dbraw/zinc/09/62/23/258096223.db2.gz RUVWJVNSWRJNIT-SANMLTNESA-N -1 3 374.510 2.934 10 0 FFAEHM C[C@@H]1OCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000329879937 258149523 /nfs/dbraw/zinc/14/95/23/258149523.db2.gz MXPJGJXYJDYXAI-FZMZJTMJSA-N -1 3 359.875 2.975 10 0 FFAEHM CC1(C)Cc2ccc(C(=O)N3CC[C@H](Oc4ccccn4)C3)c([O-])c2O1 ZINC000333007324 258244902 /nfs/dbraw/zinc/24/49/02/258244902.db2.gz AKLDKCRYYYWBBM-AWEZNQCLSA-N -1 3 354.406 2.794 10 0 FFAEHM COc1cccc([C@H](c2c([O-])[nH]c(=S)[n-]c2=O)[NH+]2CCCC2)c1OC ZINC000020156096 263379121 /nfs/dbraw/zinc/37/91/21/263379121.db2.gz VVCJJBGOEUXDJR-CYBMUJFWSA-N -1 3 363.439 2.753 10 0 FFAEHM O=c1[n-]c(-c2ccccc2CN2CCc3n[nH]cc3C2)nc2c1CCCC2 ZINC000023379622 507349285 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ZINC000109875800 507993826 /nfs/dbraw/zinc/99/38/26/507993826.db2.gz WMHLIOTYEXLQHI-UHFFFAOYSA-N -1 3 351.410 2.685 10 0 FFAEHM CC(C)c1cccc(OCC(=O)NCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000109875800 507993828 /nfs/dbraw/zinc/99/38/28/507993828.db2.gz WMHLIOTYEXLQHI-UHFFFAOYSA-N -1 3 351.410 2.685 10 0 FFAEHM COc1cc(Cl)c(S(=O)(=O)[N-]Cc2cscn2)cc1Cl ZINC000105619689 508378576 /nfs/dbraw/zinc/37/85/76/508378576.db2.gz QGWNMQPFJBFJIJ-UHFFFAOYSA-N -1 3 353.252 2.937 10 0 FFAEHM COc1cc(C(=O)NC2CCN(c3cccs3)CC2)cc(OC)c1[O-] ZINC000153678564 508623491 /nfs/dbraw/zinc/62/34/91/508623491.db2.gz DQDTZKCSUXWSFM-UHFFFAOYSA-N -1 3 362.451 2.870 10 0 FFAEHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2CCCc3cc(F)ccc32)c(C)o1 ZINC000119577133 508821952 /nfs/dbraw/zinc/82/19/52/508821952.db2.gz IOAMQXOTKZPSCJ-CQSZACIVSA-N -1 3 367.398 2.870 10 0 FFAEHM Cc1cc(C)c2[n-]cc(C(=O)N[C@H](C)c3nnc4n3CCCC4)c(=O)c2c1 ZINC000164994342 509550212 /nfs/dbraw/zinc/55/02/12/509550212.db2.gz LNIGXOFXNFIZJN-CYBMUJFWSA-N -1 3 365.437 2.976 10 0 FFAEHM Cc1cccc2c(=O)c(C(=O)N3CCCN(c4ccccn4)CC3)c[n-]c12 ZINC000166975426 509620062 /nfs/dbraw/zinc/62/00/62/509620062.db2.gz VSDKNXCKHKSRPT-UHFFFAOYSA-N -1 3 362.433 2.996 10 0 FFAEHM CC(C)(C)OC(=O)[C@@H]1CCN([C@H](C(=O)[O-])c2cc3ccccc3[nH]2)[C@@H](N)C1 ZINC000255004200 509913283 /nfs/dbraw/zinc/91/32/83/509913283.db2.gz SOFZLINMLZKSCE-XYPHTWIQSA-N -1 3 373.453 2.632 10 0 FFAEHM Cc1nc([C@@H]([N-]S(=O)(=O)c2cccc(C)c2F)c2ccccc2)n[nH]1 ZINC000181268504 510331419 /nfs/dbraw/zinc/33/14/19/510331419.db2.gz BESRUVIACKNYPB-INIZCTEOSA-N -1 3 360.414 2.629 10 0 FFAEHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)[C@@H]2C[C@H]2C2CCCCC2)CC1 ZINC000175305085 510578550 /nfs/dbraw/zinc/57/85/50/510578550.db2.gz VXYLGKOKGHVMBN-RBUKOAKNSA-N -1 3 356.466 2.893 10 0 FFAEHM O=C(c1ccc(Br)cc1[O-])N1CCCC[C@@H]1c1nnc[nH]1 ZINC000182102502 510759341 /nfs/dbraw/zinc/75/93/41/510759341.db2.gz NCVVFGFKDITWDH-LLVKDONJSA-N -1 3 351.204 2.640 10 0 FFAEHM CCn1cc([C@H]2CN(Cc3cc([O-])ccc3Br)CCO2)cn1 ZINC000191707004 510794640 /nfs/dbraw/zinc/79/46/40/510794640.db2.gz SIHLPYYTDINKAI-MRXNPFEDSA-N -1 3 366.259 2.945 10 0 FFAEHM O=c1[n-]nc(SC[C@H]2CCC3(CCCCC3)O2)n1C[C@H]1CCCO1 ZINC000191734554 510807285 /nfs/dbraw/zinc/80/72/85/510807285.db2.gz SKDRQPSWILFYKR-ZIAGYGMSSA-N -1 3 353.488 2.724 10 0 FFAEHM O=C(NCc1ccc([O-])c(Br)c1)N1CCN2CCCC[C@@H]2C1 ZINC000126284541 728697856 /nfs/dbraw/zinc/69/78/56/728697856.db2.gz QIWUJVFGWSRLJD-CYBMUJFWSA-N -1 3 368.275 2.534 10 0 FFAEHM Cc1cccc2c1OCC[C@@H]2[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000188644440 729390197 /nfs/dbraw/zinc/39/01/97/729390197.db2.gz HCGHSMRDMFJKHC-AWEZNQCLSA-N -1 3 366.370 2.844 10 0 FFAEHM CN(C[C@H]1CCCCN1Cc1ccccc1)C(=O)c1csc(C(=O)[O-])n1 ZINC000721391775 978101305 /nfs/dbraw/zinc/10/13/05/978101305.db2.gz XCGYQCFXRMOINF-OAHLLOKOSA-N -1 3 373.478 2.968 10 0 FFAEHM Cc1ncsc1-c1nc(C[N-]S(=O)(=O)c2cccc(Cl)c2)no1 ZINC000097104252 209170959 /nfs/dbraw/zinc/17/09/59/209170959.db2.gz ZEWZZQSEORJLHL-UHFFFAOYSA-N -1 3 370.843 2.633 10 0 FFAEHM CCn1cnnc1[C@@H]1CCCN(C(=O)c2c[n-]c3c(C)cccc3c2=O)C1 ZINC000163317182 251182967 /nfs/dbraw/zinc/18/29/67/251182967.db2.gz WXBZOEBDUNJBMY-CQSZACIVSA-N -1 3 365.437 2.880 10 0 FFAEHM Cc1nc(-c2ccc(NCc3ccnc(N(C)C)c3)nc2)[n-]c(=O)c1C ZINC000301184131 258032047 /nfs/dbraw/zinc/03/20/47/258032047.db2.gz JFAYQDFSLFRRHU-UHFFFAOYSA-N -1 3 350.426 2.934 10 0 FFAEHM CC1(C)Cc2ccc(C(=O)N3CC[C@@H](Oc4ccccn4)C3)c([O-])c2O1 ZINC000333007325 258245041 /nfs/dbraw/zinc/24/50/41/258245041.db2.gz AKLDKCRYYYWBBM-CQSZACIVSA-N -1 3 354.406 2.794 10 0 FFAEHM O=C(N[C@@H]1CCS(=O)(=O)c2ccccc21)c1cc2c(cc1[O-])CCCC2 ZINC000068541605 507262280 /nfs/dbraw/zinc/26/22/80/507262280.db2.gz PGRXPBFERHUFEM-QGZVFWFLSA-N -1 3 371.458 2.920 10 0 FFAEHM Cc1ccc(N2CCC(NC(=O)NCc3ccc([O-])c(F)c3)CC2)nc1 ZINC000074373547 508017118 /nfs/dbraw/zinc/01/71/18/508017118.db2.gz AVZIOINZYNFMQV-UHFFFAOYSA-N -1 3 358.417 2.703 10 0 FFAEHM COc1cccc(N2CC[C@H](C[N-]S(=O)(=O)c3ccccc3F)C2)c1 ZINC000102414586 508274981 /nfs/dbraw/zinc/27/49/81/508274981.db2.gz AUGNHGFLBGHHDC-CQSZACIVSA-N -1 3 364.442 2.639 10 0 FFAEHM COc1cccc(N2CC[C@@H](CNC(=O)c3cccc(OC)c3[O-])C2)c1 ZINC000102484750 508276477 /nfs/dbraw/zinc/27/64/77/508276477.db2.gz XBKVQNHPRMTWNB-AWEZNQCLSA-N -1 3 356.422 2.666 10 0 FFAEHM CCN1CCC[C@H]([N-]S(=O)(=O)c2cc(Cl)c(OC)cc2Cl)C1 ZINC000105618870 508378614 /nfs/dbraw/zinc/37/86/14/508378614.db2.gz WHWLJINSPOLRNW-JTQLQIEISA-N -1 3 367.298 2.765 10 0 FFAEHM C[C@@H]1OCC[C@@H]1[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000134270012 508514903 /nfs/dbraw/zinc/51/49/03/508514903.db2.gz QLFYONHXLNUZCI-XVKPBYJWSA-N -1 3 354.653 2.558 10 0 FFAEHM C[C@@H](NC(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1)c1ccncc1 ZINC000126535273 509091513 /nfs/dbraw/zinc/09/15/13/509091513.db2.gz FKWDUEFDQMJLMW-CQSZACIVSA-N -1 3 368.437 2.909 10 0 FFAEHM Cc1ccccc1C(=O)N[C@H](C(=O)NCc1ccc([O-])c(F)c1)C(C)C ZINC000133090991 509114853 /nfs/dbraw/zinc/11/48/53/509114853.db2.gz WPVBMHMCJNXKMU-SFHVURJKSA-N -1 3 358.413 2.911 10 0 FFAEHM Cc1cccc2c(=O)c(C(=O)N3CCC(Cn4cccn4)CC3)c[n-]c12 ZINC000163883200 509434666 /nfs/dbraw/zinc/43/46/66/509434666.db2.gz MTYKTNFIZUIONH-UHFFFAOYSA-N -1 3 350.422 2.998 10 0 FFAEHM COC(=O)C1CCC(C(=O)NCc2ccc([O-])c(Br)c2)CC1 ZINC000182811140 509437532 /nfs/dbraw/zinc/43/75/32/509437532.db2.gz CVFIHWCHSTUAJI-UHFFFAOYSA-N -1 3 370.243 2.750 10 0 FFAEHM Cc1cc(=O)[n-]c([C@H](C)N2CCC[C@@H](c3nnc4n3CCCCC4)C2)n1 ZINC000248707108 509445682 /nfs/dbraw/zinc/44/56/82/509445682.db2.gz AUQOZATZASDHSZ-LSDHHAIUSA-N -1 3 356.474 2.749 10 0 FFAEHM O=S(=O)([N-]C[C@@H]1CCC[C@@H]1O)c1ccc(Cl)c(Br)c1 ZINC000236539156 509458829 /nfs/dbraw/zinc/45/88/29/509458829.db2.gz YUSDHJAMZNNJNB-UFBFGSQYSA-N -1 3 368.680 2.542 10 0 FFAEHM Cc1ccc([O-])c(C(=O)N(C)C[C@H](c2cccs2)N2CCOCC2)c1 ZINC000176527836 509564286 /nfs/dbraw/zinc/56/42/86/509564286.db2.gz HJZVDDNBGPCRJP-MRXNPFEDSA-N -1 3 360.479 2.908 10 0 FFAEHM C[C@@H](NC(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1)c1cccs1 ZINC000171003514 509884218 /nfs/dbraw/zinc/88/42/18/509884218.db2.gz FTMWTCGHDJHVNA-CYBMUJFWSA-N -1 3 359.451 2.682 10 0 FFAEHM CCc1cc(=O)[n-]c(-c2ccc(NCC3CCC4(CC3)OCCO4)nc2)n1 ZINC000180439795 509926194 /nfs/dbraw/zinc/92/61/94/509926194.db2.gz BUHAVZXKPXTZSY-UHFFFAOYSA-N -1 3 370.453 2.740 10 0 FFAEHM Cc1ccc(C(=O)NCCC(=O)N[C@H](C)COCc2ccccc2)c([O-])c1 ZINC000174588966 510194453 /nfs/dbraw/zinc/19/44/53/510194453.db2.gz NXLVRGCJNVVNAO-MRXNPFEDSA-N -1 3 370.449 2.542 10 0 FFAEHM O=C(N[C@H](Cc1ccccc1)C(=O)Nc1ncccc1[O-])c1cccs1 ZINC000194125451 510227627 /nfs/dbraw/zinc/22/76/27/510227627.db2.gz VRMWJOAOXYYLSP-CQSZACIVSA-N -1 3 367.430 2.829 10 0 FFAEHM CC[C@@H]1CN2CCC[C@H]2CN1C(=O)c1nn(-c2ccc(F)cc2C)cc1[O-] ZINC000246306836 510418677 /nfs/dbraw/zinc/41/86/77/510418677.db2.gz CFLLVSHSHQPOOU-CVEARBPZSA-N -1 3 372.444 2.724 10 0 FFAEHM Cn1ncc2c1ncc(C(=O)N1CCC[C@@H](c3cc(F)ccc3F)C1)c2[O-] ZINC000191536587 510709822 /nfs/dbraw/zinc/70/98/22/510709822.db2.gz DXSKWZJIXKYSAS-LLVKDONJSA-N -1 3 372.375 2.972 10 0 FFAEHM Cc1cccc(C(=O)NC[C@H](c2cccs2)N2CCO[C@@H](C)C2)c1[O-] ZINC000246860826 510714734 /nfs/dbraw/zinc/71/47/34/510714734.db2.gz LZYSVDCYOVCARF-GOEBONIOSA-N -1 3 360.479 2.954 10 0 FFAEHM C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000246925697 510750438 /nfs/dbraw/zinc/75/04/38/510750438.db2.gz OHALSRJHTFLZOC-AEXSXMDLSA-N -1 3 355.438 2.534 10 0 FFAEHM COC(=O)C[C@H]([N-]S(=O)(=O)c1cc(C)c(F)cc1F)c1ccccc1 ZINC000175780944 510787582 /nfs/dbraw/zinc/78/75/82/510787582.db2.gz FZPLSNGRJDPTIW-HNNXBMFYSA-N -1 3 369.389 2.856 10 0 FFAEHM CC(C)n1nccc1[C@@H]1OCC[C@H]1[N-]S(=O)(=O)CC12CCC(CC1)C2 ZINC000625537918 523515674 /nfs/dbraw/zinc/51/56/74/523515674.db2.gz SOSOWXAYYUXMBJ-CQDXFGNVSA-N -1 3 367.515 2.794 10 0 FFAEHM COc1ccc2c([O-])c3n(c(=O)c2c1OC)CCc1cc2c(cc1-3)OCO2 ZINC000105656949 570874243 /nfs/dbraw/zinc/87/42/43/570874243.db2.gz JRMLNJLPAKIDQC-UHFFFAOYSA-N -1 3 367.357 2.676 10 0 biogenic FFAEHM O=C([O-])c1cc(CN2CCO[C@H]3CCN(Cc4ccccc4)C[C@H]32)cs1 ZINC000689077971 976205674 /nfs/dbraw/zinc/20/56/74/976205674.db2.gz ODUALQBVVDZYIX-MSOLQXFVSA-N -1 3 372.490 2.922 10 0 FFAEHM C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)NC1CC(CC(=O)[O-])C1 ZINC000718034444 977932068 /nfs/dbraw/zinc/93/20/68/977932068.db2.gz YDHAILZRTXWPQU-ZLPCBKJTSA-N -1 3 359.470 2.546 10 0 FFAEHM Cc1c([O-])ccc2c(CN3CCC(Cn4cccn4)CC3)cc(=O)oc12 ZINC000106185137 250251813 /nfs/dbraw/zinc/25/18/13/250251813.db2.gz MXEHLDWVSAYJRB-UHFFFAOYSA-N -1 3 353.422 2.916 10 0 FFAEHM COC(=O)[C@@H](C)Sc1nc2c(cnn2-c2cccc(C)c2C)c(=O)[n-]1 ZINC000009521712 207276060 /nfs/dbraw/zinc/27/60/60/207276060.db2.gz GHLPICGFCAXETD-LLVKDONJSA-N -1 3 358.423 2.792 10 0 FFAEHM C[C@H](C(=O)N=c1cc2ccc(Br)cn2[n-]1)C1CCOCC1 ZINC000328728761 258119221 /nfs/dbraw/zinc/11/92/21/258119221.db2.gz GZLIWKWCTNABQO-JTQLQIEISA-N -1 3 352.232 2.520 10 0 FFAEHM CC(C)c1cc(N2CCN(CC(=O)[O-])CC2)nc(-c2cccc(F)c2)n1 ZINC000073685485 132377048 /nfs/dbraw/zinc/37/70/48/132377048.db2.gz VCTYRSOSAWHNRB-UHFFFAOYSA-N -1 3 358.417 2.613 10 0 FFAEHM CC(C)c1cc(N2CCN(CC(=O)[O-])CC2)nc(-c2ccc(F)cc2)n1 ZINC000073685723 132377053 /nfs/dbraw/zinc/37/70/53/132377053.db2.gz RGVDQLBTOIHJTE-UHFFFAOYSA-N -1 3 358.417 2.613 10 0 FFAEHM COC(=O)c1cc(I)c(Br)cc1[O-] ZINC000575712432 518252196 /nfs/dbraw/zinc/25/21/96/518252196.db2.gz LVRMGAMGUPLGAT-UHFFFAOYSA-N -1 3 356.941 2.546 10 0 FFAEHM CCc1nc(C[N-]S(=O)(=O)c2ccccc2Br)cs1 ZINC000107703569 507863990 /nfs/dbraw/zinc/86/39/90/507863990.db2.gz OUWJGMLOCWFLGF-UHFFFAOYSA-N -1 3 361.286 2.947 10 0 FFAEHM O=C(NCCCNC(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1)c1cccc([O-])c1 ZINC000109096513 507939047 /nfs/dbraw/zinc/93/90/47/507939047.db2.gz PIPPEIINIRSXOP-HOTGVXAUSA-N -1 3 374.387 2.710 10 0 FFAEHM CCCc1c(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)[nH]c(C)c1C(C)=O ZINC000110001992 508000690 /nfs/dbraw/zinc/00/06/90/508000690.db2.gz LIBPJSGNYMGDDD-UHFFFAOYSA-N -1 3 366.425 2.588 10 0 FFAEHM CCCc1c(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)[nH]c(C)c1C(C)=O ZINC000110001992 508000693 /nfs/dbraw/zinc/00/06/93/508000693.db2.gz LIBPJSGNYMGDDD-UHFFFAOYSA-N -1 3 366.425 2.588 10 0 FFAEHM COc1cc(OC)cc([C@H]2CCN([C@H](C)C(=O)[N-]c3cc(C)no3)C2)c1 ZINC000083403166 508243745 /nfs/dbraw/zinc/24/37/45/508243745.db2.gz BQXDJVPUCIMONF-KGLIPLIRSA-N -1 3 359.426 2.817 10 0 FFAEHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N1CCC[C@H]1c1ccco1 ZINC000116211959 508487605 /nfs/dbraw/zinc/48/76/05/508487605.db2.gz ATIKHVXAKAWERR-JTQLQIEISA-N -1 3 374.871 2.637 10 0 FFAEHM COCCN1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C[C@H]1C ZINC000117425269 508597353 /nfs/dbraw/zinc/59/73/53/508597353.db2.gz MCPPUTJCVIPICL-QGZVFWFLSA-N -1 3 368.477 2.776 10 0 FFAEHM C[C@@H](NC(=O)C1CC2(C1)NC(=O)[N-]C2=O)c1ccc(-c2ccccc2)cc1 ZINC000154565131 508810426 /nfs/dbraw/zinc/81/04/26/508810426.db2.gz SLXCTCJOSQQLJZ-CEFZZCHRSA-N -1 3 363.417 2.519 10 0 FFAEHM Cn1ccnc1C[C@H]1CCCN(C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)C1 ZINC000150927483 508924021 /nfs/dbraw/zinc/92/40/21/508924021.db2.gz LGFUPXXOGLPRNM-CQSZACIVSA-N -1 3 369.465 2.934 10 0 FFAEHM Cn1ncc2c1ncc(C(=O)N1CCO[C@@H](c3ccccc3Cl)C1)c2[O-] ZINC000132668089 509059113 /nfs/dbraw/zinc/05/91/13/509059113.db2.gz QLLIGGNXSSMBBH-OAHLLOKOSA-N -1 3 372.812 2.541 10 0 FFAEHM O=C(NCC1(C2CCCCC2)CCCCC1)C1CC2(C1)NC(=O)[N-]C2=O ZINC000126691111 509113567 /nfs/dbraw/zinc/11/35/67/509113567.db2.gz TXVUTPYYVOVWOY-UHFFFAOYSA-N -1 3 361.486 2.622 10 0 FFAEHM O=C(NCc1ccc([O-])c(Br)c1)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000248184200 509257641 /nfs/dbraw/zinc/25/76/41/509257641.db2.gz XAPPSPNXKYAIMK-LNSITVRQSA-N -1 3 369.259 2.912 10 0 FFAEHM Cn1ncc2c1ncc(C(=O)N1CC[C@@H](CSc3ccccc3)C1)c2[O-] ZINC000179523823 509495038 /nfs/dbraw/zinc/49/50/38/509495038.db2.gz PSYNOGAABHDNBA-CYBMUJFWSA-N -1 3 368.462 2.928 10 0 FFAEHM CCc1nc2c(s1)[C@H](N(C)C(=O)c1cnc3c(cnn3C)c1[O-])CCC2 ZINC000179547073 509503206 /nfs/dbraw/zinc/50/32/06/509503206.db2.gz ISMNCAGTTDIEES-CYBMUJFWSA-N -1 3 371.466 2.842 10 0 FFAEHM CCN1CCN(CCCCNC(=O)c2ccc(Cl)c(Cl)c2[O-])CC1 ZINC000179567583 509518048 /nfs/dbraw/zinc/51/80/48/509518048.db2.gz BLVKZEMTMKWBBV-UHFFFAOYSA-N -1 3 374.312 2.847 10 0 FFAEHM Cc1cccc(F)c1S(=O)(=O)[N-][C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000186167104 509555557 /nfs/dbraw/zinc/55/55/57/509555557.db2.gz NGQKOWCSTQHXOL-GFCCVEGCSA-N -1 3 371.455 2.577 10 0 FFAEHM Cc1ccc([C@H](CNC(=O)c2cccc(C)c2[O-])N2CCOCC2)s1 ZINC000176565503 509585965 /nfs/dbraw/zinc/58/59/65/509585965.db2.gz UGLDSZGRAWLBFC-INIZCTEOSA-N -1 3 360.479 2.874 10 0 FFAEHM C[C@H]1CN(C2CCN(C(=O)c3ccc4c(c3[O-])CCCC4)CC2)CCO1 ZINC000186237727 509594090 /nfs/dbraw/zinc/59/40/90/509594090.db2.gz YLJWDFZEGWYVEZ-HNNXBMFYSA-N -1 3 358.482 2.596 10 0 FFAEHM Cc1ccc(C(=O)NC[C@H](c2cccs2)N2CCO[C@H](C)C2)c([O-])c1 ZINC000176599695 509604163 /nfs/dbraw/zinc/60/41/63/509604163.db2.gz AUDVIHQZAFXQKU-GDBMZVCRSA-N -1 3 360.479 2.954 10 0 FFAEHM CC(C)Cn1cnc(S(=O)(=O)[N-][C@H](C)c2cccc(-n3ccnc3)c2)c1 ZINC000175034163 510450144 /nfs/dbraw/zinc/45/01/44/510450144.db2.gz YGGPQLIJJKODSR-OAHLLOKOSA-N -1 3 373.482 2.764 10 0 FFAEHM Cn1ncc2c1ncc(C(=O)N1CC[C@H](Cc3ccc(F)cc3)C1)c2[O-] ZINC000182039941 510724736 /nfs/dbraw/zinc/72/47/36/510724736.db2.gz JPQXKUSOMLODRG-CYBMUJFWSA-N -1 3 354.385 2.518 10 0 FFAEHM CN(CC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2ccccc2[O-])CC1 ZINC000191589912 510740647 /nfs/dbraw/zinc/74/06/47/510740647.db2.gz WOXWFSQTVKYPLG-HNNXBMFYSA-N -1 3 362.470 2.660 10 0 FFAEHM CCc1nc(C2([N-]S(=O)(=O)CCc3cccs3)CCCC2)no1 ZINC000195390903 510810001 /nfs/dbraw/zinc/81/00/01/510810001.db2.gz LIRZCXNCPARXBI-UHFFFAOYSA-N -1 3 355.485 2.625 10 0 FFAEHM O=C(N[C@H]1CCCC[C@@H]1CO)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000188626367 510846970 /nfs/dbraw/zinc/84/69/70/510846970.db2.gz UUOZYIZJUIPBNZ-MJGOQNOKSA-N -1 3 353.418 2.904 10 0 FFAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccc(C)c(F)c2)ccc1F ZINC000119464226 728594905 /nfs/dbraw/zinc/59/49/05/728594905.db2.gz XEJXQGHVEMCYCB-NSHDSACASA-N -1 3 368.405 2.672 10 0 FFAEHM Cc1cccc(C(=O)NC2CCN(C(=O)NC3CCCCC3)CC2)c1[O-] ZINC000102894412 250126489 /nfs/dbraw/zinc/12/64/89/250126489.db2.gz KKGKYRVRRYOPPC-UHFFFAOYSA-N -1 3 359.470 2.937 10 0 FFAEHM CC[C@H](Sc1nc2c(cnn2-c2ccc(OC)cc2)c(=O)[n-]1)C(=O)OC ZINC000009522015 207276467 /nfs/dbraw/zinc/27/64/67/207276467.db2.gz RIVBSNXTWWCPMK-ZDUSSCGKSA-N -1 3 374.422 2.573 10 0 FFAEHM CCS(=O)(=O)[N-]c1ccc(-c2noc(-c3ccc4c(c3)OCO4)n2)cc1 ZINC000033276356 208081462 /nfs/dbraw/zinc/08/14/62/208081462.db2.gz SRMCXEWGXBRLBY-UHFFFAOYSA-N -1 3 373.390 2.894 10 0 FFAEHM CCc1cc(=O)[n-]c(-c2ccc(N3C[C@@H]4CCC[C@@]4(C(=O)OC)C3)nc2)n1 ZINC000302177824 258093020 /nfs/dbraw/zinc/09/30/20/258093020.db2.gz NHQSEHOFBRDLNU-VBKZILBWSA-N -1 3 368.437 2.586 10 0 FFAEHM C[C@H]1OCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000329879938 258149600 /nfs/dbraw/zinc/14/96/00/258149600.db2.gz MXPJGJXYJDYXAI-RISCZKNCSA-N -1 3 359.875 2.975 10 0 FFAEHM CCN1CC[C@H]2OCCN(C(=O)c3ccc(Cl)c(Cl)c3[O-])[C@H]2C1 ZINC000333218206 258256598 /nfs/dbraw/zinc/25/65/98/258256598.db2.gz DAGGYMWYVLNUSE-QWHCGFSZSA-N -1 3 359.253 2.634 10 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ZINC000179492754 509476766 /nfs/dbraw/zinc/47/67/66/509476766.db2.gz ZOOSLDUBQJDDOP-ZDUSSCGKSA-N -1 3 357.439 2.588 10 0 FFAEHM Cc1nc2n(n1)CCC[C@H]2NC(=O)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000190156914 509974469 /nfs/dbraw/zinc/97/44/69/509974469.db2.gz ONHQUOMVTUFXRP-SNVBAGLBSA-N -1 3 362.846 2.956 10 0 FFAEHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cnc4c(c3)ncn4C)c2)n1 ZINC000180556817 509982948 /nfs/dbraw/zinc/98/29/48/509982948.db2.gz ZFLRPVWHZCVULH-UHFFFAOYSA-N -1 3 374.404 2.533 10 0 FFAEHM Cn1ncc2c1ncc(C(=O)N1CC[C@@H](c3c(F)cccc3F)C1)c2[O-] ZINC000184029199 510094585 /nfs/dbraw/zinc/09/45/85/510094585.db2.gz NHVRYCGLIQKYRB-SNVBAGLBSA-N -1 3 358.348 2.582 10 0 FFAEHM COCCOc1ccc(F)cc1S(=O)(=O)[N-][C@@H](C)c1ccc(C)o1 ZINC000190461339 510143894 /nfs/dbraw/zinc/14/38/94/510143894.db2.gz NUMHUAHIJHTUOE-LBPRGKRZSA-N -1 3 357.403 2.792 10 0 FFAEHM CCc1nc(C2([N-]S(=O)(=O)c3ccc(OC)cc3C)CCCC2)no1 ZINC000177607879 510158330 /nfs/dbraw/zinc/15/83/30/510158330.db2.gz PSYNOKWUSHEVGE-UHFFFAOYSA-N -1 3 365.455 2.697 10 0 FFAEHM CC(C)N1C[C@@H](C)[C@H]([N-]S(=O)(=O)c2ccc(Br)s2)C1 ZINC000246032963 510259261 /nfs/dbraw/zinc/25/92/61/510259261.db2.gz ALLAWSYQQNJEGS-NXEZZACHSA-N -1 3 367.334 2.518 10 0 FFAEHM O=C(NCc1ccc([O-])c(F)c1)N1CCN(c2nc3ccccc3o2)CC1 ZINC000172626130 510827728 /nfs/dbraw/zinc/82/77/28/510827728.db2.gz XJCAIKRGYXMSAN-UHFFFAOYSA-N -1 3 370.384 2.704 10 0 FFAEHM Cc1ccc([C@@H](C)NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)o1 ZINC000042080488 727952221 /nfs/dbraw/zinc/95/22/21/727952221.db2.gz PQXWKBCITRIMGB-GFCCVEGCSA-N -1 3 368.430 2.905 10 0 FFAEHM CCOC(=O)[C@@H]([N-]C(=O)C(F)(F)C1(O)CCC1)c1ccc(Cl)cc1 ZINC000194760003 729519640 /nfs/dbraw/zinc/51/96/40/729519640.db2.gz FLZKUGMRELPSPD-LBPRGKRZSA-N -1 3 361.772 2.611 10 0 FFAEHM CC(C)[C@@H](CCNCc1ncc(C(=O)[O-])s1)NC(=O)OC(C)(C)C ZINC000693014142 976566155 /nfs/dbraw/zinc/56/61/55/976566155.db2.gz NFTBGCXXEKXIFV-LLVKDONJSA-N -1 3 357.476 2.870 10 0 FFAEHM CN(C[C@@H]1CCCCN1Cc1ccccc1)C(=O)c1ccc(C(=O)[O-])[nH]1 ZINC000720020846 978022347 /nfs/dbraw/zinc/02/23/47/978022347.db2.gz GRBZAFXQNQLCEY-INIZCTEOSA-N -1 3 355.438 2.840 10 0 FFAEHM Cc1nnnn1-c1ccc(F)c([N-]S(=O)(=O)/C=C/c2ccccc2)c1 ZINC000103059614 250133625 /nfs/dbraw/zinc/13/36/25/250133625.db2.gz TZWMVFMOXGISDJ-MDZDMXLPSA-N -1 3 359.386 2.522 10 0 FFAEHM C[C@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)c1cc(F)c([O-])c(F)c1 ZINC000186815861 251269641 /nfs/dbraw/zinc/26/96/41/251269641.db2.gz DXGMESHRBBYYFV-SJCJKPOMSA-N -1 3 361.392 2.706 10 0 FFAEHM CC[C@@H](Sc1nc2c(cnn2-c2ccc(OC)cc2)c(=O)[n-]1)C(=O)OC ZINC000009522016 207276027 /nfs/dbraw/zinc/27/60/27/207276027.db2.gz RIVBSNXTWWCPMK-CYBMUJFWSA-N -1 3 374.422 2.573 10 0 FFAEHM CC(C)C[N-]S(=O)(=O)[C@H]1CON(C)[C@@H]1c1cccc(Cl)c1Cl ZINC000037547653 208182857 /nfs/dbraw/zinc/18/28/57/208182857.db2.gz IHPUOCPIJCOJMG-GXTWGEPZSA-N -1 3 367.298 2.856 10 0 FFAEHM COc1cccc2c(=O)c(C(=O)Nc3nnc(CC(C)C)s3)c[n-]c12 ZINC000039962893 208214682 /nfs/dbraw/zinc/21/46/82/208214682.db2.gz ZGZWZEQGAFSXBV-UHFFFAOYSA-N -1 3 358.423 2.839 10 0 FFAEHM C[C@@]1([N-]S(=O)(=O)c2cc(Cl)ccc2OCCC2CC2)CCOC1 ZINC000330234561 258159589 /nfs/dbraw/zinc/15/95/89/258159589.db2.gz YJPVCXQLFWUTAK-MRXNPFEDSA-N -1 3 359.875 2.976 10 0 FFAEHM Cc1ccc(-c2nc(C(C)C)cc(N3CCN(CC(=O)[O-])CC3)n2)cc1 ZINC000073685447 132377057 /nfs/dbraw/zinc/37/70/57/132377057.db2.gz PWQMHCCFLVQMET-UHFFFAOYSA-N -1 3 354.454 2.782 10 0 FFAEHM CCOc1cccc([C@H](C)[N-]S(=O)(=O)c2c(C)nn(C)c2Cl)c1 ZINC000109380880 507958579 /nfs/dbraw/zinc/95/85/79/507958579.db2.gz MBMVFAFJAZKELO-JTQLQIEISA-N -1 3 357.863 2.820 10 0 FFAEHM O=C(CCc1ccc2c(c1)OCCO2)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000109626103 507972198 /nfs/dbraw/zinc/97/21/98/507972198.db2.gz DPUOVNLCPIRXSY-UHFFFAOYSA-N -1 3 368.368 2.953 10 0 FFAEHM CN1CCN([C@@H]2CCCCN(C(=O)c3ccc4[n-]c(=S)oc4c3)C2)CC1 ZINC000091688531 508002132 /nfs/dbraw/zinc/00/21/32/508002132.db2.gz FQHWSILSEACLGA-OAHLLOKOSA-N -1 3 374.510 2.732 10 0 FFAEHM Cc1nc2n(n1)CCC[C@@H]2[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000081073882 508132721 /nfs/dbraw/zinc/13/27/21/508132721.db2.gz NCNFKFCMMFUJOW-NSHDSACASA-N -1 3 361.254 2.707 10 0 FFAEHM C[C@H](NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)c1ccccc1Br ZINC000104134190 508328981 /nfs/dbraw/zinc/32/89/81/508328981.db2.gz AFNLOEJFVFMREX-VIFPVBQESA-N -1 3 373.206 2.824 10 0 FFAEHM COc1cc(Cl)c(S(=O)(=O)[N-][C@H](C)[C@H]2CCCO2)cc1Cl ZINC000105617286 508378784 /nfs/dbraw/zinc/37/87/84/508378784.db2.gz NXSYDYNQSSICLY-LDYMZIIASA-N -1 3 354.255 2.848 10 0 FFAEHM Cc1cc(F)cc2c(=O)c(C(=O)N(C)[C@H](C)C(=O)OC(C)(C)C)c[n-]c12 ZINC000156386537 508412279 /nfs/dbraw/zinc/41/22/79/508412279.db2.gz PVNWSKGQCVRBHC-LLVKDONJSA-N -1 3 362.401 2.778 10 0 FFAEHM CCOc1ccccc1C(F)(F)C(=O)[N-][C@H]1CCCn2nc(C)nc21 ZINC000153649614 508616232 /nfs/dbraw/zinc/61/62/32/508616232.db2.gz YUOOCBOHYBKDBD-ZDUSSCGKSA-N -1 3 350.369 2.728 10 0 FFAEHM COc1ccc([C@H]2C[C@@H](C)N(C(=O)c3cnc4c(cnn4C)c3[O-])C2)cc1 ZINC000119272322 508761608 /nfs/dbraw/zinc/76/16/08/508761608.db2.gz JEFDMMKIWFBFTA-OCCSQVGLSA-N -1 3 366.421 2.701 10 0 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CC(C)Cn1cnc(S(=O)(=O)[N-][C@@H](C)c2cccc(-n3ccnc3)c2)c1 ZINC000175034152 510450336 /nfs/dbraw/zinc/45/03/36/510450336.db2.gz YGGPQLIJJKODSR-HNNXBMFYSA-N -1 3 373.482 2.764 10 0 FFAEHM COc1ccc(C(=O)N2CCN(c3nc4ccccc4o3)CC2)c([O-])c1 ZINC000172411442 510714542 /nfs/dbraw/zinc/71/45/42/510714542.db2.gz GLHUUKAHYZPVAS-UHFFFAOYSA-N -1 3 353.378 2.504 10 0 FFAEHM CC1(C)[C@H](NC(=O)NCc2ccc([O-])c(Br)c2)[C@@H]2CCO[C@H]21 ZINC000246886245 510727204 /nfs/dbraw/zinc/72/72/04/510727204.db2.gz DLDCNZVLIUMABC-ZLKJLUDKSA-N -1 3 369.259 2.767 10 0 FFAEHM COc1cc(OC)cc([C@@H]2CCN(C(=O)/C=C/c3cncc([O-])c3)C2)c1 ZINC000182087953 510750411 /nfs/dbraw/zinc/75/04/11/510750411.db2.gz FOLLETRAVHMYKV-NHZBNJEXSA-N -1 3 354.406 2.834 10 0 FFAEHM C[C@]1(O)CCOC[C@H]1[C@H]1CCCN1C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000285480525 510923395 /nfs/dbraw/zinc/92/33/95/510923395.db2.gz RZRFVHGHXRNWBH-UEXGIBASSA-N -1 3 359.466 2.663 10 0 FFAEHM Cc1cc(C(=O)[O-])cc2c1[C@@H](N)C[C@]1(CCN(C(=O)OC(C)(C)C)C1)O2 ZINC000725259840 570523842 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FFAEHM Cc1nc(C)c(CCC(=O)N[C@H](C)c2ccc(F)c(Cl)c2)c(=O)[n-]1 ZINC000065754642 506357258 /nfs/dbraw/zinc/35/72/58/506357258.db2.gz DWIYVVLKDUXLFT-SECBINFHSA-N -1 3 351.809 2.989 10 0 FFAEHM Cc1c([O-])cc(I)cc1I ZINC000006520487 506486712 /nfs/dbraw/zinc/48/67/12/506486712.db2.gz GQSXJKGBYJQKAU-UHFFFAOYSA-N -1 3 359.932 2.910 10 0 FFAEHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)N1CCC[C@H]2CCCC[C@@H]21 ZINC000008280591 506638136 /nfs/dbraw/zinc/63/81/36/506638136.db2.gz CQLZDZNAEJDZIA-PBHICJAKSA-N -1 3 355.438 2.673 10 0 FFAEHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)s1)c1ccccc1 ZINC000070826413 507645015 /nfs/dbraw/zinc/64/50/15/507645015.db2.gz WROOLTATDCFBCD-LLVKDONJSA-N -1 3 359.856 2.984 10 0 FFAEHM Cn1cccc1[C@H]1CCCCN1C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000083055139 508234908 /nfs/dbraw/zinc/23/49/08/508234908.db2.gz GAFXOBDWEVFHBR-MRXNPFEDSA-N -1 3 352.394 2.668 10 0 FFAEHM Cc1ccn2ncc(C(=O)[N-]c3nnc(Cc4ccc(F)cc4)s3)c2n1 ZINC000106703705 508403736 /nfs/dbraw/zinc/40/37/36/508403736.db2.gz FOTXQIYYWUHFCG-UHFFFAOYSA-N -1 3 368.397 2.871 10 0 FFAEHM CCc1nc2n(n1)CCC[C@@H]2[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000157043872 508514634 /nfs/dbraw/zinc/51/46/34/508514634.db2.gz NASHFAMXMSZSAF-NSHDSACASA-N -1 3 374.388 2.673 10 0 FFAEHM Cc1cnn(C[C@H]2CN(Cc3cc([O-])ccc3Br)CCO2)c1 ZINC000122473774 508540874 /nfs/dbraw/zinc/54/08/74/508540874.db2.gz JUJXFYGRBCRHQU-OAHLLOKOSA-N -1 3 366.259 2.561 10 0 FFAEHM CCc1nc2n(n1)CCC[C@@H]2[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000124200151 508796244 /nfs/dbraw/zinc/79/62/44/508796244.db2.gz SFXUEQLYDUYWBB-LBPRGKRZSA-N -1 3 372.853 2.755 10 0 FFAEHM CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000248243221 509262965 /nfs/dbraw/zinc/26/29/65/509262965.db2.gz FTWLLCWCOGEAKA-GXSJLCMTSA-N -1 3 369.347 2.607 10 0 FFAEHM CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000248243221 509262970 /nfs/dbraw/zinc/26/29/70/509262970.db2.gz FTWLLCWCOGEAKA-GXSJLCMTSA-N -1 3 369.347 2.607 10 0 FFAEHM Cc1cc(F)cc2c(=O)c(C(=O)N3CC[C@@H](Oc4cccnc4)C3)c[n-]c12 ZINC000163533586 509388880 /nfs/dbraw/zinc/38/88/80/509388880.db2.gz IRGKMJGQRIBNMG-OAHLLOKOSA-N -1 3 367.380 2.664 10 0 FFAEHM O=S(=O)([N-][C@@H]1CCC[C@@H](C(F)(F)F)C1)c1cccc2c1OCCO2 ZINC000170658193 509702306 /nfs/dbraw/zinc/70/23/06/509702306.db2.gz WSDHVESYWHVKEB-GHMZBOCLSA-N -1 3 365.373 2.857 10 0 FFAEHM Cn1ccnc1[C@H](O)[C@@H]1CCCN(C(=O)c2ccc3c(c2[O-])CCCC3)C1 ZINC000183344457 509727683 /nfs/dbraw/zinc/72/76/83/509727683.db2.gz DNGBDYFIFDLNRQ-CRAIPNDOSA-N -1 3 369.465 2.590 10 0 FFAEHM Cc1nc(C)c(S(=O)(=O)[N-]C2(c3noc(C4CC4)n3)CCCC2)s1 ZINC000176980034 509796601 /nfs/dbraw/zinc/79/66/01/509796601.db2.gz YIFOCPGHLASDSL-UHFFFAOYSA-N -1 3 368.484 2.768 10 0 FFAEHM CO[C@H]1C[C@H](c2nc(C)no2)N(Cc2cc([O-])ccc2Br)C1 ZINC000190155735 509974595 /nfs/dbraw/zinc/97/45/95/509974595.db2.gz MJGCZVDKYBWVRB-GXTWGEPZSA-N -1 3 368.231 2.808 10 0 FFAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2ccc3ccccc3c2)cn1 ZINC000184765864 510506316 /nfs/dbraw/zinc/50/63/16/510506316.db2.gz VDYRCGJBPOABJO-ZDUSSCGKSA-N -1 3 369.446 2.634 10 0 FFAEHM Cn1ncc2c1ncc(C(=O)N1CC[C@@H](Cc3ccc(F)cc3)C1)c2[O-] ZINC000182039962 510725538 /nfs/dbraw/zinc/72/55/38/510725538.db2.gz JPQXKUSOMLODRG-ZDUSSCGKSA-N -1 3 354.385 2.518 10 0 FFAEHM COC[C@@H](C)C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000175766162 510779000 /nfs/dbraw/zinc/77/90/00/510779000.db2.gz NVHFMNFAWYUAQE-LLVKDONJSA-N -1 3 354.834 2.505 10 0 FFAEHM O=C(NC1CN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1)C1CCC1 ZINC000188489527 510793827 /nfs/dbraw/zinc/79/38/27/510793827.db2.gz ROAHXJOEMQPBPZ-UHFFFAOYSA-N -1 3 364.445 2.724 10 0 FFAEHM C[C@@H](NC(=O)C1CC2(C1)NC(=O)[N-]C2=O)c1ccc(Cl)c2ccccc21 ZINC000185331772 510810490 /nfs/dbraw/zinc/81/04/90/510810490.db2.gz KVDKYBKEDVJVLK-OZMOWAPCSA-N -1 3 371.824 2.659 10 0 FFAEHM